A0A096NJ19_PAPAN Loading...

Transcription factor AP-2 beta

AlphaFold DB (A0A5F8AQF3), UniProt , Accession A0A096NJ19, Species PAPAN (Papio anubis, Olive baboon), Gene TFAP2B, Length 504 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
1M30.9Very low33.5Very low239 Ų239149.4 Ų149.4100%1.17784%0.836SS**  0108.90-138.8151.779.700106.5
2W23.3Very low33.8Very low246 Ų246152.8 Ų152.893%0.93284%0.836SS**PPolyproline II helixtrans-74.1144.8-179.6-68.877.1000110.3
3P30.3Very low34Very low124 Ų124156.1 Ų156.181%0.80584%0.837SS**PPolyproline II helixtrans-91.6136.9151.9-0.620.5000110
4S28.6Very low34Very low104 Ų104155.9 Ų155.973%0.72783%0.829SS**PPolyproline II helixtrans-66.2139.7-171.347.80000115.5S6S4-S6 PolarHBondContact O-N 3.45Å
5E38.3Very low34.2Very low199 Ų199154.3 Ų154.393%0.9382%0.819SS**  trans-60.3114.3159.9-67.7173.6128.400110.7
6S36.9Very low34.2Very low96 Ų96153.8 Ų153.867%0.67182%0.815SS**  trans178.470.8153.641.30000111.3S4S4-S6 PolarHBondContact O-N 3.45Å
7T35.9Very low34.3Very low127 Ų127149.5 Ų149.578%0.77981%0.806SS**SBendtrans-163.427.7165.84.50000117
8W36.8Very low34.4Very low261 Ų261146.9 Ų146.999%0.98980%0.801SS**  trans-140.937.8174.8-70.990.8000114.4
9G36.5Very low34.6Very low85 Ų85146.5 Ų146.588%0.87680%0.798SS**SBendtrans-123.588.7173.800000111.1
10G33.8Very low34.7Very low54 Ų54145.2 Ų145.256%0.55779%0.794SS**SBendtrans-168.5-46.9173.700000114.5
11S36.8Very low34.5Very low108 Ų108144.5 Ų144.576%0.75580%0.797SS**THydrogen-bonded Turntrans-99.35.1-160.9-47.60000116.7
12K37.8Very low34.7Very low191 Ų191136.2 Ų136.283%0.8377%0.773SS**THydrogen-bonded Turntrans-104.1-11.1177-76.1-173.3178.1-178.80115
13F35.4Very low35.1Very low195 Ų195135.7 Ų135.786%0.85577%0.771SS**SBendtrans-81.5-14.6178.3-106.3-85.9000113.9
14Q34.4Very low35.5Very low154 Ų154134.6 Ų134.672%0.7277%0.772SS**SBendtrans-88.4-17.3-175.9-139.3110.929.500114.3
15I37Very low35.6Very low132 Ų132140.4 Ų140.468%0.67778%0.78SS**SBendtrans-88.4-24.3-172.7-64.4177.1000112.7
16L33.8Very low35.5Very low146 Ų146140.4 Ų140.476%0.76478%0.777SS**SBendtrans-89.5-11.8179.1-88.7160.3000114.5S18L16-S18 VanDerWaalsContact C-N 3.34Å
17A36.6Very low35.9Very low80 Ų80141 Ų14166%0.66178%0.781SS**THydrogen-bonded Turntrans-81.7-10.2179.400000113.9
18S35.9Very low36Very low103 Ų103146 Ų14672%0.7279%0.785SS**THydrogen-bonded Turntrans-97.90.6-175-55.70000114.7L16L16-S18 VanDerWaalsContact C-N 3.34Å
19L37.6Very low36.1Very low140 Ų140136.9 Ų136.973%0.73377%0.766SS**SBendtrans-106.75-174.7-89.3162.4000115.5
20V36.6Very low36.3Very low119 Ų119140 Ų14072%0.72176%0.761SS**  trans-142.9100.7176.1-173.60000111.1G22V20-G22 PolarHBondContact O-N 3.5Å
21P32.1Very low36.6Very low132 Ų132141.3 Ų141.386%0.85776%0.76SS**  trans-77.2112.4167.1-1.919.4000109.3
22G33.2Very low36.6Very low65 Ų65143.5 Ų143.567%0.6776%0.756SS**SBendtrans85.989.7151.100000117.9V20V20-G22 PolarHBondContact O-N 3.5Å
23R32.8Very low36.8Very low234 Ų234138.6 Ų138.688%0.88374%0.742SS**  -179.6121.7122.6-100.8173.4-175.5-175.72.3109.6Y25R23-Y25 PolarHBondContact O-N 2.97Å; R23-Y25 VanDerWaalsContact O-N 3.14Å
24A37.9Very low37.2Very low101 Ų101133.3 Ų133.384%0.83573%0.726SS**  trans-67105.3-17900000111.8
25Y31.6Very low37.4Very low226 Ų226130.1 Ų130.189%0.88672%0.719SS**  trans-96.190.6156.5-81.7-85.4000108.4R23R23-Y25 PolarHBondContact O-N 2.97Å; R23-Y25 VanDerWaalsContact O-N 3.14Å
26K36.5Very low37.7Very low200 Ų200130 Ų13087%0.8772%0.719SS**  trans-71.2128.9169-94.9179.5174.9178.40109.8
27S44.3Very low38Very low108 Ų108130.5 Ų130.576%0.75572%0.715SS**SBendtrans54.486.1156.8-73.20000118.4
28R39.1Very low38Very low233 Ų233135 Ų13588%0.87972%0.72SS**SBendtrans-164.4-2.4145.1-107168-161.7-156.65.5114.8
29A38.1Very low38.3Very low69 Ų69131.7 Ų131.757%0.5770%0.697SS**SBendtrans-93.1-7.5-179.200000114.9P31 F32A29-P31 VanDerWaalsContact C-CD 3.47Å; A29-F32 PolarHBondContact O-N 2.95Å
30L41.2Very low38.5Very low149 Ų149130 Ų13078%0.7870%0.697SS**Hα-helixtrans-69-26.3-176.4-107.978.4000116.6T34L30-T34 PolarHBondContact O-OG1 3.08Å
31P39.7Very low39.1Very low83 Ų83129.9 Ų129.954%0.53970%0.701SS.*Hα-helixtrans-83.2-14.4176.430.2-30.8000113.7A29 C35A29-P31 VanDerWaalsContact C-CD 3.47Å; P31-C35 PolarHBondContact O-SG 2.75Å; P31-C35 VanDerWaalsContact O-SG 3.42Å
32F36.5Very low40Very low153 Ų153128.1 Ų128.167%0.67168%0.684SS**Hα-helixtrans-81.2-35.6-174.9-87.5-85000113.6A29A29-F32 PolarHBondContact O-N 2.95Å
33V43.3Very low41.1Very low88 Ų88129.1 Ų129.153%0.53368%0.681SS.*Hα-helixtrans-79.9-32.3-179-1770000110.9C35 I36 F37V33-C35 PolarHBondContact O-N 3.43Å; V33-I36 PolarHBondContact O-N 3.33Å; V33-F37 HydrophobicContact CG1-CD2 4.15Å; V33-F37 HydrophobicContact CG1-CE2 4.16Å; V33-F37 PolarHBondContact O-N 3.36Å
34T42Very low41.9Very low84 Ų84125.4 Ų125.452%0.51568%0.678SS.*Hα-helixtrans-69.4-31-178.7-34.40000112.8L30 I36 F37 F38L30-T34 PolarHBondContact O-OG1 3.08Å; T34-I36 VanDerWaalsContact C-N 3.31Å; T34-I36 PolarHBondContact O-N 3.19Å; T34-F37 PolarHBondContact O-N 3.17Å; T34-F38 PolarHBondContact O-N 3.34Å
35C39.3Very low42.5Very low87 Ų87124.4 Ų124.459%0.58867%0.665SS**Hα-helixtrans-68.8-28176.4-71.10000113.2P31 V33P31-C35 PolarHBondContact O-SG 2.75Å; P31-C35 VanDerWaalsContact O-SG 3.42Å; V33-C35 PolarHBondContact O-N 3.43Å
36I43.8Very low43.3Very low131 Ų131117 Ų11767%0.67264%0.643SS**Hα-helixtrans-76-35178.8-62.8176.5000110.6V33 T34V33-I36 PolarHBondContact O-N 3.33Å; T34-I36 VanDerWaalsContact C-N 3.31Å; T34-I36 PolarHBondContact O-N 3.19Å
37F40.5Very low44.1Very low156 Ų156109.2 Ų109.268%0.68461%0.613SS**Hα-helixtrans-84-20.7-178.8-82-82.3000114.9V33 T34 S39V33-F37 HydrophobicContact CG1-CD2 4.15Å; V33-F37 HydrophobicContact CG1-CE2 4.16Å; V33-F37 PolarHBondContact O-N 3.36Å; T34-F37 PolarHBondContact O-N 3.17Å; F37-S39 VanDerWaalsContact C-N 3.27Å; F37-S39 PolarHBondContact O-N 3.45Å
38F35.3Very low45Very low174 Ų174108 Ų10876%0.76360%0.598SS**THydrogen-bonded Turntrans-82.7-1.4174.3-115.6-94.2000113.9T34 S40T34-F38 PolarHBondContact O-N 3.34Å; F38-S40 VanDerWaalsContact C-N 3.27Å; F38-S40 PolarHBondContact O-N 3.39Å
39S42.3Very low46Very low34 Ų34101 Ų10124%0.23858%0.584CS.*THydrogen-bonded Turntrans-88.922.8-179.7-1440000113.7F37 S47F37-S39 VanDerWaalsContact C-N 3.27Å; F37-S39 PolarHBondContact O-N 3.45Å; S39-S47 PolarHBondContact OG-OG 3.32Å
40S41.6Very low47Very low105 Ų105101.8 Ų101.873%0.73458%0.578SS**THydrogen-bonded Turntrans-88.4-6.7175.2-51.50000113.2F38F38-S40 VanDerWaalsContact C-N 3.27Å; F38-S40 PolarHBondContact O-N 3.39Å
41S50.7Low48.2Very low115 Ų11598.2 Ų98.280%0.80457%0.565SS**SBendtrans-123.77-176.7-64.50000114.8
42L49.4Very low49.7Very low96 Ų9697.5 Ų97.550%0.50356%0.556SS.*SBendtrans-102.8133.1173.9-9174.4000109.8L44 V46L42-L44 PolarHBondContact O-N 3.36Å; L42-V46 HydrophobicContact CB-CB 4.38Å; L42-V46 HydrophobicContact CD2-CB 4.09Å; L42-V46 HydrophobicContact CD2-CG1 3.67Å
43S56.7Low51.5Low85 Ų8596.6 Ų96.659%0.59455%0.552SS**  trans-41.8136.9175.1174.50000111.2S45 V46 S47S43-S45 PolarHBondContact O-N 3.48Å; S43-V46 PolarHBondContact O-N 3.36Å; S43-S47 PolarHBondContact O-N 3.35Å
44L50.7Low52.8Low157 Ų15797.1 Ų97.182%0.82255%0.551SS**Hα-helixtrans-44.6-32.2-179.5-102.480.9000112.9L42 S47 L48L42-L44 PolarHBondContact O-N 3.36Å; L44-S47 PolarHBondContact O-N 2.96Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 3.37Å
45S48.9Very low54.3Low80 Ų8098.6 Ų98.656%0.55955%0.551SS**Hα-helixtrans-59.3-44.1176-179.60000113.3S43 C49S43-S45 PolarHBondContact O-N 3.48Å; S45-C49 WeakPolarHBondContact O-CB 3.38Å; S45-C49 PolarHBondContact O-N 3.25Å
46V49.9Very low55.8Low70 Ų7096.5 Ų96.542%0.42453%0.534SS..Hα-helixtrans-75.5-35.8-178.9-170.40000111L42 S43 C49 L50L42-V46 HydrophobicContact CB-CB 4.38Å; L42-V46 HydrophobicContact CD2-CB 4.09Å; L42-V46 HydrophobicContact CD2-CG1 3.67Å; S43-V46 PolarHBondContact O-N 3.36Å; V46-C49 PolarHBondContact O-N 3.44Å; V46-L50 WeakPolarHBondContact O-CB 3.39Å; V46-L50 PolarHBondContact O-N 3.04Å
47S52.2Low56.9Low36 Ų3692.6 Ų92.625%0.25252%0.517SS..Hα-helixtrans-66.9-40176.3-159.80000111.7S39 S43 L44 L50 C51S39-S47 PolarHBondContact OG-OG 3.32Å; S43-S47 PolarHBondContact O-N 3.35Å; L44-S47 PolarHBondContact O-N 2.96Å; S47-L50 PolarHBondContact O-N 3.41Å; S47-C51 WeakPolarHBondContact O-CB 3.4Å; S47-C51 PolarHBondContact O-N 3.05Å; S47-C51 PolarHBondContact O-SG 2.69Å
48L63.4Low58.1Low84 Ų8489.8 Ų89.844%0.4451%0.509SS..Hα-helixtrans-66.4-42.1173.9-153.982.2000112L44 L50 C51 L52L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 3.37Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.19Å; L48-C51 PolarHBondContact O-N 3.06Å; L48-L52 HydrophobicContact CD2-CD1 4.5Å; L48-L52 HydrophobicContact CG-CD1 4.38Å; L48-L52 WeakPolarHBondContact O-CB 3.04Å; L48-L52 WeakPolarHBondContact O-CG 3.4Å; L48-L52 PolarHBondContact O-N 2.98Å
49C61.1Low59.6Low86 Ų8685 Ų8558%0.58149%0.491SS*.Hα-helixtrans-61.2-41.9174.1-115.70000111.7S45 V46 F53S45-C49 WeakPolarHBondContact O-CB 3.38Å; S45-C49 PolarHBondContact O-N 3.25Å; V46-C49 PolarHBondContact O-N 3.44Å; C49-F53 WeakPolarHBondContact O-CB 3.48Å; C49-F53 PolarHBondContact O-N 3.19Å
50L57.7Low60.3Low85 Ų8588.9 Ų88.945%0.44551%0.508SS..Hα-helixtrans-67.8-39.6177.3-148.880.5000111.2V46 S47 L48 F53 L54V46-L50 WeakPolarHBondContact O-CB 3.39Å; V46-L50 PolarHBondContact O-N 3.04Å; S47-L50 PolarHBondContact O-N 3.41Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-L50 PolarHBondContact O-N 3.19Å; L50-F53 PolarHBondContact O-N 2.97Å; L50-L54 HydrophobicContact CG-CD1 4.41Å; L50-L54 VanDerWaalsContact O-CB 3.28Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.33Å
51C66.4Low60.8Low73 Ų7387.8 Ų87.849%0.49350%0.5SS..Hα-helixtrans-68.5-40.6177.2-71.30000112S47 L48 L54 F55S47-C51 WeakPolarHBondContact O-CB 3.4Å; S47-C51 PolarHBondContact O-N 3.05Å; S47-C51 PolarHBondContact O-SG 2.69Å; L48-C51 PolarHBondContact O-N 3.06Å; C51-L54 PolarHBondContact O-N 2.66Å; C51-F55 WeakPolarHBondContact O-CB 3.49Å; C51-F55 PolarHBondContact O-N 3.16Å
52L72.6Confident60.7Low68 Ų6888.3 Ų88.336%0.35649%0.494SS..Hα-helixtrans-66.1-40.4173.4-77.9165.9000111.7L48 F55 L56L48-L52 HydrophobicContact CD2-CD1 4.5Å; L48-L52 HydrophobicContact CG-CD1 4.38Å; L48-L52 WeakPolarHBondContact O-CB 3.04Å; L48-L52 WeakPolarHBondContact O-CG 3.4Å; L48-L52 PolarHBondContact O-N 2.98Å; L52-F55 PolarHBondContact O-N 3.36Å; L52-L56 WeakPolarHBondContact O-CB 3.37Å; L52-L56 WeakPolarHBondContact O-CD1 3.21Å; L52-L56 PolarHBondContact O-N 2.84Å
53F73.5Confident60.7Low135 Ų13588.1 Ų88.159%0.59250%0.5SS*.Hα-helixtrans-63.3-44.4174.6-178.6-99.4000111.7C49 L50 L56 C57C49-F53 WeakPolarHBondContact O-CB 3.48Å; C49-F53 PolarHBondContact O-N 3.19Å; L50-F53 PolarHBondContact O-N 2.97Å; F53-L56 PolarHBondContact O-N 2.77Å; F53-C57 WeakPolarHBondContact O-CB 3.45Å; F53-C57 PolarHBondContact O-N 2.98Å; F53-C57 PolarHBondContact O-SG 2.87Å
54L71.6Confident60Low98 Ų9887.8 Ų87.851%0.51350%0.495SS..Hα-helixtrans-68.8-35.8176.9-71.1171.8000112L50 C51 C57 L58L50-L54 HydrophobicContact CG-CD1 4.41Å; L50-L54 VanDerWaalsContact O-CB 3.28Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 WeakPolarHBondContact O-CG 3.45Å; L50-L54 PolarHBondContact O-N 3.33Å; C51-L54 PolarHBondContact O-N 2.66Å; L54-C57 PolarHBondContact O-N 3.13Å; L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 PolarHBondContact O-N 2.94Å
55F73.4Confident59.2Low115 Ų11585.7 Ų85.750%0.50449%0.49SS..Hα-helixtrans-67.2-42.5173.9-174.9-106.1000111.6C51 L52 L58 L59C51-F55 WeakPolarHBondContact O-CB 3.49Å; C51-F55 PolarHBondContact O-N 3.16Å; L52-F55 PolarHBondContact O-N 3.36Å; F55-L58 PolarHBondContact O-N 3.26Å; F55-L59 HydrophobicContact CD1-CD1 3.81Å; F55-L59 HydrophobicContact CD1-CG 4.38Å; F55-L59 HydrophobicContact CE1-CD1 3.44Å; F55-L59 VanDerWaalsContact CE1-CD1 3.44Å; F55-L59 HydrophobicContact CE1-CG 4.12Å; F55-L59 HydrophobicContact CZ-CD1 3.99Å; F55-L59 HydrophobicContact CZ-CD2 4.4Å; F55-L59 HydrophobicContact CZ-CG 4.27Å; F55-L59 WeakPolarHBondContact O-CG 3.22Å; F55-L59 PolarHBondContact O-N 3.45Å
56L71.1Confident58.8Low44 Ų4487.9 Ų87.923%0.2351%0.506CS..Hα-helixtrans-61.2-44.4170.8-104.584.7000111.4L52 F53 L58 L59 L60 I454L52-L56 WeakPolarHBondContact O-CB 3.37Å; L52-L56 WeakPolarHBondContact O-CD1 3.21Å; L52-L56 PolarHBondContact O-N 2.84Å; F53-L56 PolarHBondContact O-N 2.77Å; L56-L58 VanDerWaalsContact C-N 3.28Å; L56-L58 PolarHBondContact O-N 3.09Å; L56-L59 PolarHBondContact O-N 3.39Å; L56-L60 WeakPolarHBondContact O-CD1 3.34Å; L56-L60 PolarHBondContact O-N 3.24Å; L56-I454 HydrophobicContact CD2-CD1 4.29Å; L56-I454 HydrophobicContact CD2-CG1 3.85Å; L56-I454 HydrophobicContact CD2-CG2 4.42Å
57C65.5Low58.4Low49 Ų4989.4 Ų89.433%0.33152%0.519SS..Hα-helixtrans-61.3-37.5176.1-70.90000112F53 L54 S61F53-C57 WeakPolarHBondContact O-CB 3.45Å; F53-C57 PolarHBondContact O-N 2.98Å; F53-C57 PolarHBondContact O-SG 2.87Å; L54-C57 PolarHBondContact O-N 3.13Å; C57-S61 VanDerWaalsContact O-CB 3.31Å; C57-S61 WeakPolarHBondContact O-CB 3.45Å; C57-S61 PolarHBondContact O-N 3.48Å; C57-S61 PolarHBondContact O-OG 2.97Å
58L65.2Low57.6Low97 Ų9796.1 Ų96.151%0.50855%0.552SS.*Hα-helixtrans-68.8-42.6176.2-170.371.8000111.4L54 F55 L56 S61 L62L54-L58 WeakPolarHBondContact O-CB 3.42Å; L54-L58 PolarHBondContact O-N 2.94Å; F55-L58 PolarHBondContact O-N 3.26Å; L56-L58 VanDerWaalsContact C-N 3.28Å; L56-L58 PolarHBondContact O-N 3.09Å; L58-S61 PolarHBondContact O-N 3.43Å; L58-S61 VanDerWaalsContact O-N 3.17Å; L58-L62 HydrophobicContact CD1-CD1 4.42Å; L58-L62 HydrophobicContact CD2-CD1 4.37Å; L58-L62 HydrophobicContact CG-CD1 3.85Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.93Å
59L67.4Low56.1Low73 Ų73103.4 Ų103.438%0.38257%0.573SS.*Hα-helixtrans-63.5-41174.4-73.2175.8000112.3F55 L56 S61 L62 S63F55-L59 HydrophobicContact CD1-CD1 3.81Å; F55-L59 HydrophobicContact CD1-CG 4.38Å; F55-L59 HydrophobicContact CE1-CD1 3.44Å; F55-L59 VanDerWaalsContact CE1-CD1 3.44Å; F55-L59 HydrophobicContact CE1-CG 4.12Å; F55-L59 HydrophobicContact CZ-CD1 3.99Å; F55-L59 HydrophobicContact CZ-CD2 4.4Å; F55-L59 HydrophobicContact CZ-CG 4.27Å; F55-L59 WeakPolarHBondContact O-CG 3.22Å; F55-L59 PolarHBondContact O-N 3.45Å; L56-L59 PolarHBondContact O-N 3.39Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.87Å; L59-L62 PolarHBondContact O-N 3.04Å; L59-S63 WeakPolarHBondContact O-CB 3.36Å; L59-S63 PolarHBondContact O-N 3.46Å; L59-S63 VanDerWaalsContact O-N 3.09Å; L59-S63 PolarHBondContact O-OG 3.48Å
60L58.3Low54.6Low115 Ų115104.9 Ų104.960%0.60259%0.585SS**Hα-helixtrans-65.2-33.7172.6-90.992.3000112.2L56L56-L60 WeakPolarHBondContact O-CD1 3.34Å; L56-L60 PolarHBondContact O-N 3.24Å
61S51.9Low53.2Low82 Ų82109.5 Ų109.557%0.57360%0.604SS**Hα-helixtrans-76.9-31.1178.5-58.90000113C57 L58 L59C57-S61 VanDerWaalsContact O-CB 3.31Å; C57-S61 WeakPolarHBondContact O-CB 3.45Å; C57-S61 PolarHBondContact O-N 3.48Å; C57-S61 PolarHBondContact O-OG 2.97Å; L58-S61 PolarHBondContact O-N 3.43Å; L58-S61 VanDerWaalsContact O-N 3.17Å; L59-S61 VanDerWaalsContact C-N 3.3Å; L59-S61 PolarHBondContact O-N 2.87Å
62L48.8Very low51.5Low126 Ų126112.5 Ų112.566%0.6662%0.615SS**Hα-helixtrans-82.1-15.1176.6-72166.1000113.2L58 L59 V64L58-L62 HydrophobicContact CD1-CD1 4.42Å; L58-L62 HydrophobicContact CD2-CD1 4.37Å; L58-L62 HydrophobicContact CG-CD1 3.85Å; L58-L62 HydrophobicContact CG-CG 4.48Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 VanDerWaalsContact O-CG 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.93Å; L59-L62 PolarHBondContact O-N 3.04Å; L62-V64 PolarHBondContact O-N 2.89Å
63S49.3Very low49.3Very low92 Ų92120.4 Ų120.464%0.64364%0.64SS**THydrogen-bonded Turntrans-79.33.3174.5-59.60000113.6L59 P65L59-S63 WeakPolarHBondContact O-CB 3.36Å; L59-S63 PolarHBondContact O-N 3.46Å; L59-S63 VanDerWaalsContact O-N 3.09Å; L59-S63 PolarHBondContact O-OG 3.48Å; S63-P65 WeakPolarHBondContact O-CD 3.44Å
64V40.2Very low47.4Very low79 Ų79122.3 Ų122.348%0.47965%0.651SS.*SBendtrans-91.4108.5167.8-177.10000107.8L62 S66L62-V64 PolarHBondContact O-N 2.89Å; V64-S66 PolarHBondContact O-N 3.16Å
65P35.3Very low45.5Very low112 Ų112124.5 Ų124.573%0.72766%0.663SS**  trans-62.6113.2177.122.5-30000109.6S63 S67S63-P65 WeakPolarHBondContact O-CD 3.44Å; P65-S67 PolarHBondContact O-N 3.37Å
66S39.8Very low43.4Very low127 Ų127122.6 Ų122.689%0.88868%0.675SS**  trans-74.368163.8-61.60000108.7V64V64-S66 PolarHBondContact O-N 3.16Å
67S40.8Very low41.4Very low101 Ų101126.6 Ų126.671%0.70670%0.701SS**  trans-126.475.9170.2-1580000109.9P65P65-S67 PolarHBondContact O-N 3.37Å
68L36.8Very low39.9Very low178 Ų178129.8 Ų129.893%0.93272%0.721SS**  trans-168.967152.4-104.9144000106.8
69R30.7Very low38.2Very low236 Ų236130 Ų13089%0.89173%0.731SS**  trans-118.496.1160.4-152.8174.8-173.2-168.10.3106.7Q71R69-Q71 PolarHBondContact O-N 3.49Å
70S29.8Very low36.5Very low118 Ų118135.3 Ų135.383%0.82575%0.754SS**  trans-50.5124174.4-158.50000109.4
71Q28.8Very low35Very low181 Ų181135.1 Ų135.185%0.84676%0.762SS**  trans-75.6135.9161.5-141.488.71300107.8R69R69-Q71 PolarHBondContact O-N 3.49Å
72D30.5Very low33.9Very low136 Ų136136.9 Ų136.973%0.72777%0.774SS**  trans-44.2143177.5-88.2-71.6000116.4
73R27.5Very low33.1Very low235 Ų235142.2 Ų142.289%0.88779%0.786SS**  trans-137.196.8135.9-77.7-164.6176.9153.5-0.8109.6
74H33.6Very low32.1Very low174 Ų174146.4 Ų146.481%0.80680%0.8SS**  trans-78.2114.9151.6-108.442.2000107
75D31.2Very low31.6Very low145 Ų145147.5 Ų147.578%0.77581%0.811SS**  trans-130.3117.2158.1-83.4-48.6000107.8
76G29.9Very low31.4Very low74 Ų74150.7 Ų150.776%0.76382%0.816SS**  trans-73.3140.9178.400000111.6
77V29.1Very low31Very low128 Ų128152.6 Ų152.678%0.77682%0.815SS**  trans-85.4132.3173.8-179.10000109.5
78P33.8Very low30.4Very low116 Ų116151.6 Ų151.675%0.75382%0.822SS**  trans-108.8119.3148.729.9-17.6000109.9
79S28.9Very low30.2Very low101 Ų101148.3 Ų148.371%0.70681%0.813SS**  trans-77.8121.4173.2-69.60000110.9
80H30.7Very low30.2Very low186 Ų186143.7 Ų143.786%0.86181%0.811SS**  trans-145136.7152.3-84.4-72000111.7
81S27.6Very low30.2Very low110 Ų110143.2 Ų143.277%0.76981%0.808SS**  trans-24.2140.4171.4-65.10000117.8
82S28.3Very low30.4Very low120 Ų120143.4 Ų143.484%0.83981%0.809SS**  169.6157.998.646.40000112.5
83R32Very low30.7Very low238 Ų238140 Ų14090%0.89881%0.805SS**  trans-63.5144.1-166.2-58.5171.3173.3-167.3-4.1113
84L29Very low31.6Very low179 Ų179134 Ų13494%0.93780%0.797SS**  trans-109.5119.9162.8-130.989000111
85S30.7Very low31.7Very low103 Ų103136.6 Ų136.672%0.7280%0.801SS**  trans-93.3129.7172.1-46.30000109.4
86Q29.3Very low31.7Very low178 Ų178135.5 Ų135.583%0.83281%0.805SS**  trans16137.7141.4-80.8-176.9-23.100122.8
87L32.3Very low31.9Very low167 Ų167137.6 Ų137.687%0.87481%0.808SS**  trans110.2129.7135.4-78158.4000120.5
88G28.9Very low32.1Very low81 Ų81136 Ų13684%0.83581%0.808SS**  trans172.895.5164.700000111.2
89S31.4Very low32.6Very low108 Ų108136.1 Ų136.176%0.75581%0.809SS**  trans-96.9168.3-171.2105.30000113.6
90V30.3Very low33.1Very low140 Ų140137.3 Ų137.385%0.84881%0.814SS**  trans149.5131.8147.41590000108.2
91S29.7Very low33.3Very low108 Ų108137 Ų13776%0.75582%0.818SS**  cis-164.3154.4-2.41690000110.4
92Q34.1Very low33.6Very low185 Ų185136.5 Ų136.586%0.86481%0.814SS**  trans-44.6164.9175.6-59.5-75.6-21.600118.7
93G35.6Very low33.8Very low64 Ų64140.1 Ų140.166%0.6682%0.818SS**  cis178.6-153.79.600000109.2
94P46.8Very low33.9Very low108 Ų108135 Ų13570%0.70181%0.813SS**  cis-131.1156-32.739.2-22.8000114.4
95Y35.7Very low34.6Very low230 Ų230132 Ų13290%0.90280%0.804SS**  trans173.4147.4132.7-85.5-61.6000110.7
96S31.9Very low34.6Very low121 Ų121132.5 Ų132.585%0.84681%0.808SS**  trans-81.4162.6-148.5-720000120.1
97S33.4Very low35Very low118 Ų118129.8 Ų129.883%0.82581%0.808SS**  trans-74.7159.8-178.746.80000118.7
98A33.9Very low35.4Very low95 Ų95129 Ų12979%0.78581%0.805SS**  trans-138155.9156.400000110.8
99P43.5Very low36Very low119 Ų119134.7 Ų134.777%0.77381%0.807SS**PPolyproline II helixtrans-98163.8-148.737.5-34.5000115.6
100P39.3Very low36.9Very low125 Ų125138 Ų13881%0.81281%0.81SS**PPolyproline II helixtrans-90134.5172.234.7-28.5000111.6
101L35.3Very low37.9Very low181 Ų181136.1 Ų136.195%0.94880%0.802SS**PPolyproline II helixtrans-89.2121.6170.2-78.3164.1000110.1
102S33.1Very low39.2Very low99 Ų99137 Ų13769%0.69280%0.804SS**PPolyproline II helixtrans-75.3138.3165.5-43.40000109.9
103H33Very low40.1Very low196 Ų196138.1 Ų138.191%0.90780%0.802SS**  trans176.9116.2136.8-88.7-65.6000110.1
104T35Very low41Very low130 Ų130144 Ų14480%0.79881%0.81SS**  trans-83.3171.215947.80000109
105P43.4Very low41.5Very low115 Ų115143.3 Ų143.375%0.74781%0.805SS**  cis-149.3-177.129.839.3-15.3000119.4
106S31.6Very low42.3Very low115 Ų115136.9 Ų136.980%0.80479%0.792SS**  trans80.2100.415542.70000120.9
107S36.8Very low42.9Very low120 Ų120137 Ų13784%0.83979%0.79SS**  -165.5134.3107.1-150.40000110.6
108D40.7Very low43.4Very low151 Ų151142 Ų14281%0.80779%0.792SS**  trans-59.9131.1-165.6-60.3-79.8000116.7
109F41.5Very low43.9Very low201 Ų201145.5 Ų145.588%0.88279%0.792SS**  trans-114.5102.3160.9-154.6-91000108.3
110Q49.7Very low43.6Very low176 Ų176146 Ų14682%0.82280%0.795SS**PPolyproline II helixtrans-87.3119.9176.2-119.9167.3-19.300109.3
111P51.8Low43.6Very low102 Ų102147.5 Ų147.566%0.66280%0.796SS**PPolyproline II helixtrans-71.2149.9169.528.7-31.7000110.5Y113P111-Y113 PolarHBondContact O-N 3.4Å
112P57.2Low43.8Very low125 Ų125143.5 Ų143.581%0.81278%0.78SS**PPolyproline II helixtrans-65.9118.8-174.824.6-31.2000111.3
113Y53.4Low43.7Very low210 Ų210148.6 Ų148.682%0.82479%0.786SS**PPolyproline II helixtrans-68.3124.6175-166.2-98.6000110.2P111P111-Y113 PolarHBondContact O-N 3.4Å
114F53.5Low43.7Very low188 Ų188147.4 Ų147.483%0.82578%0.78SS**PPolyproline II helixtrans-84.8125.6171.7-110.9-97.8000109.1
115P58.3Low43.7Very low92 Ų92150.3 Ų150.360%0.59779%0.785SS**PPolyproline II helixtrans-72.4146.1176.629.2-32.1000111
116P52.2Low43.3Very low95 Ų95149.9 Ų149.962%0.61779%0.785SS**PPolyproline II helixtrans-68.4155.6175.328.6-32.8000111.4Y118P116-Y118 PolarHBondContact O-N 3.03Å
117P44.4Very low43.4Very low124 Ų124153.1 Ų153.181%0.80579%0.787SS**PPolyproline II helixtrans-66.8130.6-179.627.4-32.2000110.7Q119P117-Q119 PolarHBondContact O-N 3.2Å
118Y43.3Very low43.2Very low222 Ų222154.5 Ų154.587%0.87179%0.785SS**PPolyproline II helixtrans-56.2123.4-179.9-76.1-92.8000112.1P116P116-Y118 PolarHBondContact O-N 3.03Å
119Q44.3Very low43.1Very low169 Ų169151.9 Ų151.979%0.7978%0.776SS**PPolyproline II helixtrans-82.9135.6155.8-75-173.4-18.100108.9P117P117-Q119 PolarHBondContact O-N 3.2Å
120P38.9Very low43Very low129 Ų129152.4 Ų152.484%0.83877%0.774SS**PPolyproline II helixtrans-84.6121.6175.331.4-27.9000110.3
121L38Very low42.5Very low158 Ų158149.4 Ų149.483%0.82777%0.772SS**  trans-131.4153.5163.3-79.7173.9000110.2
122P38.8Very low42.1Very low96 Ų96151.1 Ų151.162%0.62377%0.771SS**  trans-105.9168.5-147.532.4-19.2000114.7
123Y31.9Very low41.3Very low207 Ų207152.3 Ų152.381%0.81278%0.776SS**  trans82.6145.8170.9-64.1-88.9000116.1
124H33.8Very low40.5Very low170 Ų170149.8 Ų149.879%0.78778%0.777SS**  cis-15014626-128.9-86.4000110
125Q34.2Very low39.5Very low191 Ų191148 Ų14889%0.89378%0.776SS**  trans-78.4126.3178.5-165177.54100110.3
126S34.2Very low38.5Very low107 Ų107148 Ų14875%0.74878%0.776SS**  trans-119.9127.7170.9530000110.5
127Q35.2Very low37.7Very low183 Ų183154.9 Ų154.986%0.85579%0.791SS**  trans-53.1139.5175.5-102.9101.7-10.400113.5
128D32.7Very low37.3Very low148 Ų148154.1 Ų154.179%0.79179%0.789SS**  trans-121.8139.1155.9-93.8-44.8000110.9
129P38.6Very low36.9Very low96 Ų96151.9 Ų151.962%0.62379%0.791SS**  trans-10216.7-156.1-0.724.7000116.4
130Y38.9Very low36.4Very low213 Ų213149.6 Ų149.684%0.83578%0.784SS**  trans-129.779.7-177.9-81.1-85.9000112.2
131S37.9Very low36.2Very low112 Ų112149.9 Ų149.978%0.78379%0.786SS**  trans-132.754.9174.361.80000111.5
132H44.6Very low35.9Very low138 Ų138148.1 Ų148.164%0.63978%0.777SS**  trans-134.676.3172.135.8-91000110.6
133V40.1Very low35.6Very low151 Ų151151.7 Ų151.792%0.91579%0.785SS**  trans-141.9111.4142.7-105.50000106.2
134N36.8Very low35.6Very low156 Ų156150.2 Ų150.283%0.83479%0.785SS**  trans-94123.7-168-15519.2000107.9
135D32.7Very low36Very low150 Ų150147.5 Ų147.580%0.80278%0.783SS**  trans-99.5120.2166.3-121.5-19.2000108Y137D135-Y137 PolarHBondContact O-N 3.23Å
136P37.4Very low35.7Very low93 Ų93146 Ų14660%0.60478%0.776SS**SBendtrans-84.5114.1-173.831.5-29.4000109.5
137Y35.7Very low35.4Very low239 Ų239148.2 Ų148.294%0.93777%0.774SS**  trans169.339.4142.7-85.9-61.1000113D135D135-Y137 PolarHBondContact O-N 3.23Å
138S36.1Very low35.1Very low108 Ų108148 Ų14876%0.75577%0.773SS**  trans-113.5116.717042.20000111.7
139L34Very low35.4Very low175 Ų175146.5 Ų146.592%0.91677%0.771SS**  trans-115.9108.6168.5-83.9169.1000110.6
140N33.5Very low34.9Very low122 Ų122154.4 Ų154.465%0.65279%0.789SS**  trans14.2146.2152.1-75.4-3.1000123.7L142N140-L142 HydrophobicContact CB-CD1 4.12Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.47Å
141P34.1Very low34.4Very low134 Ų134147.9 Ų147.987%0.8779%0.786SS**  trans-109.5130.513133-21.1000111.4
142L31.9Very low33.8Very low122 Ų122150.3 Ų150.364%0.63979%0.785SS**  trans-110.1132.2178.3-119.194.1000111.5N140N140-L142 HydrophobicContact CB-CD1 4.12Å; N140-L142 WeakPolarHBondContact ND2-CD1 3.47Å
143H33.3Very low33.1Very low171 Ų171152.6 Ų152.679%0.79279%0.788SS**  trans76.8118.5142.8-76.682.8000123.9
144Q31.3Very low32.4Very low175 Ų175152.5 Ų152.582%0.81878%0.778SS**  trans-79.7170140.5-111.9177.76.100109.7
145P41.8Very low32.1Very low113 Ų113153 Ų15373%0.73477%0.768SS**  cis-154.1170.343.742.5-20000120.1
146Q28Very low31.8Very low161 Ų161153.5 Ų153.575%0.75277%0.765SS**  trans86.7135.2134.7-112.7-168.133.700126.5
147Q29Very low31.5Very low153 Ų153155.3 Ų155.372%0.71577%0.766SS**  trans95.2129.7148.6-55.6-68.7-5.500122.4
148H27.8Very low31.2Very low179 Ų179150.6 Ų150.683%0.82976%0.762SS**  trans-85.1-174168.2-56.4-82.8000111
149P40.2Very low30.9Very low116 Ų116148.3 Ų148.375%0.75376%0.755SS**  cis-139.9-179.2-436.9-13.5000116.8
150W27Very low30.7Very low262 Ų262145 Ų14599%0.99275%0.746SS**  trans-12.6143.4168.2-64.685.8000123.7
151G28.4Very low30.7Very low75 Ų75147.2 Ų147.277%0.77375%0.753SS**  trans164.3108153.600000119.2
152Q26.6Very low30.5Very low163 Ų163145.9 Ų145.976%0.76275%0.753SS**  trans36.4137.4145.8-72.5-138.6-10.700126.7
153R29Very low30.5Very low187 Ų187143.6 Ų143.671%0.70676%0.759SS**  trans78.7116.6139.6-79.6-177.7-172.8-113.16.3119.9
154Q26.8Very low30.3Very low149 Ų149141.1 Ų141.170%0.69676%0.761SS**  90.5120.592.3-155.7175.91.800109.5
155R29Very low30.3Very low167 Ų167139.5 Ų139.563%0.6376%0.757SS**  -179.4162.558.7-166.2-172.6-168.1-78.4-6.4109.2E157R155-E157 IonicContact CZ-OE2 3.89Å; R155-E157 IonicContact NH1-OE2 2.89Å; R155-E157 PolarHBondContact NH1-OE2 3.47Å; R155-E157 IonicContact NH2-OE2 3.98Å
156Q28.2Very low30Very low160 Ų160141.4 Ų141.475%0.74876%0.76SS**  trans104.4134.9138.7-150.8161.29.800116.6
157E29.8Very low30.7Very low130 Ų130139.4 Ų139.461%0.60776%0.761SS**  cis-174165.7-30.3-164.5164.4-159.600105R155R155-E157 IonicContact CZ-OE2 3.89Å; R155-E157 IonicContact NH1-OE2 2.89Å; R155-E157 PolarHBondContact NH1-OE2 3.47Å; R155-E157 IonicContact NH2-OE2 3.98Å
158V29.6Very low30.9Very low141 Ų141139.5 Ų139.586%0.85576%0.762SS**  trans78.8123.5166.1-161.80000115.3
159G30.6Very low31.6Very low60 Ų60136.8 Ų136.862%0.61976%0.76SS**  cis162.4152.45.800000108.6
160S29.1Very low31.2Very low104 Ų104142.1 Ų142.173%0.72777%0.765SS**  trans82.3130.5148.5-70.30000120.3
161E32.5Very low31.4Very low170 Ų170134.2 Ų134.279%0.79476%0.755SS**  cis-156.1149.7-5.1-46.3-135.4130.600110
162A31.8Very low31.5Very low106 Ų106135.7 Ų135.788%0.87676%0.76SS**  trans48135.4142.200000121.7
163G30.2Very low31.7Very low73 Ų73135 Ų13575%0.75376%0.761SS**  cis161.2154.54.100000112.4
164S28.9Very low32.5Very low119 Ų119132.1 Ų132.183%0.83277%0.766SS**  trans68.4149.8153.8-96.80000121.2
165L32Very low32.8Very low141 Ų141132.5 Ų132.574%0.73877%0.768SS**  cis169.6133.6-40.9-103179.1000106.5
166L35.6Very low32.9Very low153 Ų153132.4 Ų132.480%0.80178%0.779SS**  trans77.3164.1156.3-57172000120.3
167P41.9Very low33Very low119 Ų119130.2 Ų130.277%0.77378%0.781SS**  cis-136178.9-37.734-14000115.4
168Q33.4Very low32.9Very low156 Ų156127.4 Ų127.473%0.72979%0.787SS**  trans-41.8169.4171.1-106.7-150.543.600118.5
169P44.3Very low33.1Very low121 Ų121129.3 Ų129.379%0.78679%0.792SS**  -156.5-177.757.140-14.9000120.6
170R31.4Very low33.4Very low229 Ų229132.7 Ų132.786%0.86480%0.796SS**  trans-63.9157.7179.2-71.4172.4139.5125.9-5.7118
171A31.3Very low34.2Very low96 Ų96133.4 Ų133.479%0.79380%0.798SS**  trans-168.6118.6136.800000109.1
172A29.1Very low34.2Very low105 Ų105135.5 Ų135.587%0.86880%0.799SS**  81.3120.57400000115.2
173L32.3Very low34.2Very low149 Ų149142.5 Ų142.578%0.7880%0.802SS**  trans-66.7166.4173.8-113.2156.8000112Q175L173-Q175 HydrophobicContact CD2-CG 4.25Å
174P44.6Very low34.2Very low126 Ų126145.2 Ų145.282%0.81880%0.8SS**  -153165.278.836.8-14.4000119
175Q33.5Very low34.1Very low157 Ų157150.9 Ų150.973%0.73480%0.804SS**  trans-72.5161.2167.3-72.7-100.8-40.500113.9L173L173-Q175 HydrophobicContact CD2-CG 4.25Å
176L30.8Very low34.2Very low165 Ų165152.5 Ų152.586%0.86481%0.808SS**  trans176.6111.6142-91.6161.1000108.1
177S29.4Very low33.9Very low114 Ų114150.4 Ų150.480%0.79781%0.806SS**  70.8127.586.4-70.20000117.2
178G29Very low33.4Very low71 Ų71151.1 Ų151.173%0.73281%0.808SS**  trans145.787.5146.900000121
179L33.2Very low33.3Very low182 Ų182155 Ų15595%0.95382%0.816SS**  trans63.2126.9133.7-54.9175.7000124.4
180D37Very low32.8Very low130 Ų130158.7 Ų158.770%0.69581%0.814SS**  trans-67.5165.7164.4-144.2-29.2000111.9R182D180-R182 PolarHBondContact OD1-N 2.91Å
181P45Very low33.1Very low120 Ų120153.7 Ų153.778%0.77981%0.811SS**  -151.8129.685.331-8.4000118
182R32.9Very low33Very low214 Ų214154.5 Ų154.581%0.80880%0.802SS**  31.7126.2128.6-70.3-166.1163.3127.51.3120.5D180D180-R182 PolarHBondContact OD1-N 2.91Å
183R33.2Very low33.2Very low252 Ų252156.3 Ų156.395%0.95180%0.802SS**  trans-133.2130.8148.9-121.8-174-157.1-126.94.6111.7
184D29.6Very low33.3Very low131 Ų131156 Ų15670%0.70180%0.8SS**  trans-70.6146.8-172.1-56.1-75.9000114.8
185Y26.9Very low32.8Very low237 Ų237156 Ų15693%0.92979%0.793SS**  trans-110.3112161.1-120-90000107.8
186H32.9Very low32.6Very low176 Ų176156.2 Ų156.282%0.81579%0.794SS**  trans-108.9129.9164.2-96.2-72.6000110.2
187S30.3Very low32.3Very low108 Ų108153.3 Ų153.376%0.75579%0.787SS**  trans-54.3138.1179.6-37.50000115.2
188V31.5Very low32.3Very low134 Ų134151.5 Ų151.581%0.81278%0.779SS**  trans-152.5109.3145.9-178.30000112
189R31.4Very low32.5Very low237 Ų237156.5 Ų156.589%0.89478%0.783SS**  trans61.4124.3140.2-65.3-165.5-178.7174.23.1125.3
190R33Very low32.4Very low199 Ų199157.2 Ų157.275%0.75178%0.781SS**  trans-45.3156.5143.3-76.2-172.7173.5169.3-1.2114.2D192R190-D192 WeakPolarHBondContact CD-OD2 3.25Å; R190-D192 IonicContact NH1-OD2 2.73Å; R190-D192 PolarHBondContact NH1-OD2 3.19Å
191P37.1Very low32Very low124 Ų124154.2 Ų154.281%0.80578%0.781SS**  trans-112.8112.8139.34.117.1000111
192D29.7Very low31.5Very low113 Ų113157.1 Ų157.160%0.60479%0.789SS**  trans-80.2123154.6-76.6-66000107.2R190R190-D192 WeakPolarHBondContact CD-OD2 3.25Å; R190-D192 IonicContact NH1-OD2 2.73Å; R190-D192 PolarHBondContact NH1-OD2 3.19Å
193V33.9Very low31.4Very low143 Ų143154.1 Ų154.187%0.86779%0.789SS**  trans-116.9108160.6174.70000106.8
194L35Very low31.4Very low142 Ų142146.4 Ų146.474%0.74378%0.779SS**  trans-119.6129174.1-98.7176.2000108.1
195L33.3Very low31.3Very low127 Ų127143.5 Ų143.567%0.66578%0.78SS**  127.6141.4127.5-79.9148.6000118.2
196H29.4Very low31.8Very low161 Ų161141.3 Ų141.375%0.74578%0.78SS**  trans93.5126.4156.3-55113000115.3
197S25.4Very low31.7Very low104 Ų104136 Ų13673%0.72777%0.773SS**  cis-172.116312-89.50000111.9
198A28.5Very low31.7Very low76 Ų76138.2 Ų138.263%0.62878%0.777SS**  trans77.8114141.300000122.5
199H32.4Very low31.8Very low177 Ų177136.7 Ų136.782%0.81977%0.772SS**  22.1120.9124-71.6-89.2000119.2
200H32.4Very low32Very low197 Ų197132.1 Ų132.191%0.91277%0.765SS**  trans-151.6134138.9-70.6-59.3000111.1
201G29Very low31.9Very low66 Ų66127.2 Ų127.268%0.6876%0.761SS**  trans-114.6-175.4163.600000110.8
202L34.3Very low31.8Very low182 Ų182128.9 Ų128.995%0.95376%0.762SS**  trans82.3149.4-175.2-47.4176.8000113.6
203D30.1Very low31.9Very low150 Ų150132.7 Ų132.780%0.80278%0.776SS**  cis178.4161.8-22.6176.632.1000104.5
204A33.2Very low31.7Very low91 Ų91128.6 Ų128.675%0.75276%0.763SS**  trans67.5141.4167.300000116.9
205G28.5Very low31.7Very low69 Ų69130.7 Ų130.771%0.71177%0.773SS**  cis136109.619.700000107.4
206M35.6Very low31.4Very low191 Ų191128.2 Ų128.294%0.94178%0.779SS**  trans-170.3112.7161.3-14465.6157.600106.1
207G31Very low31.6Very low65 Ų65129.5 Ų129.567%0.6778%0.784SS**  92.181.25700000107
208D31.7Very low32.6Very low154 Ų154130.6 Ų130.682%0.82479%0.789SS**  87.9120.589.3-158.818.1000112.2
209S32.5Very low32.6Very low102 Ų102129.8 Ų129.871%0.71379%0.788SS**  trans-165.695.6150.7-152.60000112.8
210L36.6Very low32.7Very low142 Ų142129.7 Ų129.774%0.74379%0.791SS**  61144129.9-50175.6000120.4
211S30.2Very low32.6Very low96 Ų96127.9 Ų127.967%0.67178%0.782SS**  cis-179.7119.3-12.3-83.60000104.9
212L34.4Very low32.7Very low159 Ų159131.3 Ų131.383%0.83279%0.785SS**  38.1116.3100-162.768000118.6
213H33.5Very low32.5Very low193 Ų193128 Ų12889%0.89477%0.772SS**  trans-168.5137.7137.9-99.5-79.2000106
214G29Very low32.5Very low57 Ų57129.8 Ų129.859%0.58878%0.776SS**  cis137.3124.9900000109.6
215L35.5Very low32.4Very low185 Ų185130.8 Ų130.897%0.96978%0.777SS**  trans76.8139.7160.1-52.4163.9000116.6
216G27Very low32.7Very low75 Ų75134.5 Ų134.577%0.77379%0.786SS**  cis175.71495.300000109.5
217H33.8Very low32.8Very low188 Ų188133.3 Ų133.387%0.8778%0.778SS**  trans-64.4163.8168.6-105.5-73.6000111.8
218P45.6Very low32.9Very low128 Ų128137.3 Ų137.383%0.83178%0.784SS**  -145.2-175.954.633.5-9.4000113.4
219G29.4Very low33Very low59 Ų59134.3 Ų134.361%0.60878%0.78SS**  cis165.8150.6300000110.1
220M32.8Very low32.9Very low175 Ų175137 Ų13786%0.86279%0.787SS**  trans63.7148.1154.7-52.9164.954.300117.7
221E30.1Very low32.9Very low159 Ų159137 Ų13774%0.74379%0.787SS**  cis-163.8158.938.5-68.4177.415500112.5
222D31.1Very low33.2Very low138 Ų138137.8 Ų137.874%0.73879%0.793SS**  trans54.5116.7147-77.1-53.7000124.3
223V30.8Very low33Very low111 Ų111133.3 Ų133.367%0.67379%0.786SS**  80.2113.986.81690000115.1
224Q29.7Very low33.1Very low189 Ų189132.6 Ų132.688%0.88379%0.785SS**  169.3135.6120.1-113.4151.8-600114.6
225S31.1Very low33.2Very low112 Ų112137.9 Ų137.978%0.78380%0.8SS**  trans-73.1152.8168.8-40.60000113
226V35.8Very low33Very low147 Ų147135.7 Ų135.789%0.89179%0.788SS**  trans-160145132.2-160.40000110.7
227E36.3Very low33.5Very low165 Ų165138.9 Ų138.977%0.77179%0.787SS**  trans-86166.9-176.2-62.9158.6126.400115.5
228D34.9Very low33.4Very low149 Ų149135.2 Ų135.280%0.79777%0.773SS**  trans82.7130.7136.5-82.5-29.2000125.9
229A32.5Very low32.7Very low91 Ų91137 Ų13775%0.75277%0.771SS**  trans57.7121.6135.900000121.2
230N31.6Very low32.9Very low159 Ų159140.2 Ų140.285%0.8578%0.784SS**  -163.4143.2108.5-151.35000113.8
231N36.1Very low32.7Very low141 Ų141138 Ų13875%0.75478%0.78SS**  trans-104.4148.5179.5-173.416.8000109
232S36.2Very low33.2Very low114 Ų114137.5 Ų137.580%0.79778%0.781SS**  trans-166.5122.1163.6-66.20000106.6
233G31Very low33.4Very low65 Ų65140.5 Ų140.567%0.6779%0.787SS**  cis125.596.719.600000109.5
234M34.9Very low33.5Very low177 Ų177144.7 Ų144.787%0.87280%0.796SS**  trans45.3129.6154.6-98.96714100122.6
235N30.2Very low33.7Very low169 Ų169141.5 Ų141.590%0.90479%0.789SS**  -153.3149.6122.1-122.8-68.4000112.8
236L32.8Very low34Very low139 Ų139141.8 Ų141.873%0.72879%0.788SS**  trans-127.1160.7-160.3-170.478.7000109.4
237L36Very low34.2Very low142 Ų142140.8 Ų140.874%0.74378%0.782SS**  trans81.3140.9168.3-101.584000116.8
238D32.3Very low34.3Very low110 Ų110137.8 Ų137.859%0.58878%0.778SS**  cis-166.9162.36.7-149.4-22000111.5
239Q30.1Very low34.7Very low166 Ų166136.7 Ų136.778%0.77678%0.778SS**  trans58.1116.5150.3-87.4162.673.700123.3
240S33.6Very low34.7Very low126 Ų126142 Ų14288%0.88179%0.785SS**  -176153.6117.3530000114.1
241V30.1Very low34.7Very low128 Ų128139.1 Ų139.178%0.77678%0.777SS**  trans-95.5137-163.3168.50000112.2
242I40.8Very low35.2Very low150 Ų150139.1 Ų139.177%0.76978%0.781SS**  trans36.2115151.8-51.4164.9000118.3
243K34.1Very low35.4Very low200 Ų200139.4 Ų139.487%0.8778%0.778SS**  -175.1126.6123.8-103.7158-175.1169.30113.9
244K33.1Very low35.6Very low200 Ų200140.9 Ų140.987%0.8778%0.779SS**  trans71.6109.9141-141.1174.3-174.2-179.90118.7P246K244-P246 WeakPolarHBondContact O-CD 3.47Å
245V35.3Very low36Very low121 Ų121139.4 Ų139.473%0.73377%0.774SS**  trans-56.2137167.8179.20000111.9V247V245-V247 HydrophobicContact CG1-CG2 3.92Å
246P35.7Very low36.5Very low118 Ų118138.3 Ų138.377%0.76677%0.765SS**  trans-119.8130.9132.1-0.721.8000111K244K244-P246 WeakPolarHBondContact O-CD 3.47Å
247V41.6Very low37.2Very low126 Ų126140.3 Ų140.376%0.76477%0.773SS**PPolyproline II helixtrans-72.8125.6177.8-156.80000109V245V245-V247 HydrophobicContact CG1-CG2 3.92Å
248P38Very low36.8Very low103 Ų103140.3 Ų140.367%0.66977%0.773SS**PPolyproline II helixtrans-82.2146.7169.730.3-29.8000110.9K250P248-K250 PolarHBondContact O-N 3.21Å
249P42.3Very low37.2Very low125 Ų125144 Ų14481%0.81278%0.784SS**PPolyproline II helixtrans-69.7125.6176.529.1-31.3000109.3S251P249-S251 PolarHBondContact O-N 3.37Å; P249-S251 VanDerWaalsContact O-N 3.09Å
250K33.9Very low37.5Very low204 Ų204142.7 Ų142.789%0.88778%0.783SS**  trans-62.5112.3175.3-68179.1178.9176.80109.3P248P248-K250 PolarHBondContact O-N 3.21Å
251S31.5Very low37.5Very low98 Ų98140.4 Ų140.469%0.68578%0.778SS**  trans-61.3133.8164.3530000109.5P249 T253P249-S251 PolarHBondContact O-N 3.37Å; P249-S251 VanDerWaalsContact O-N 3.09Å; S251-T253 PolarHBondContact O-N 3.12Å
252V45.8Very low38Very low140 Ų140144 Ų14485%0.84878%0.784SS**SBendtrans-82.726.5174.4-770000112.2
253T39.9Very low38Very low120 Ų120144.6 Ų144.674%0.73679%0.788SS**  trans-107.667.5-175.5-35.70000109.8S251S251-T253 PolarHBondContact O-N 3.12Å
254S36.6Very low38.1Very low97 Ų97138.6 Ų138.668%0.67878%0.783SS**  trans-158.576.6158.3-162.30000109.7
255L43.4Very low38.4Very low146 Ų146133.6 Ų133.676%0.76479%0.788SS**  trans-113.831.4158.5-65175.5000109.5
256M40.6Very low39.3Very low146 Ų146133.5 Ų133.572%0.71978%0.781SS**SBendtrans-77129.8159.7-70.3-176.9153.100106.4N258M256-N258 PolarHBondContact O-N 2.92Å
257M46.2Very low40.6Very low181 Ų181132.9 Ų132.989%0.89278%0.779SS**  trans-53.5101.1-176.4-64.6-146.9163.100110.1K259M257-K259 PolarHBondContact O-N 3.04Å
258N28.1Very low42.4Very low141 Ų141128.7 Ų128.775%0.75475%0.754SS**  trans-70.893163-155.34.2000105.6M256 D260M256-N258 PolarHBondContact O-N 2.92Å; N258-D260 PolarHBondContact O-N 2.69Å
259K40.7Very low44.7Very low188 Ų188128.9 Ų128.982%0.81775%0.749SS**  trans-56.891153.2173.4179.8176.2-178.70105.1M257M257-K259 PolarHBondContact O-N 3.04Å
260D35.5Very low46.9Very low139 Ų139124.4 Ų124.474%0.74372%0.72SS**  trans179.374.3154.5-81-25.5000108.9N258N258-D260 PolarHBondContact O-N 2.69Å
261G34.9Very low49.5Very low77 Ų77116.6 Ų116.679%0.79470%0.697SS**  trans-102.574.816000000108.6L263G261-L263 PolarHBondContact O-N 3.21Å
262F39.4Very low52.4Low203 Ų203117 Ų11789%0.8969%0.688SS**  trans-70.196.3171.9-161.4-94000108.3
263L41Very low54.7Low164 Ų164113.1 Ų113.186%0.85967%0.665SS**SBendtrans179.798.7143.7-90.4177.7000108.4G261G261-L263 PolarHBondContact O-N 3.21Å
264G37Very low57.3Low74 Ų74107.7 Ų107.776%0.76363%0.631SS**  trans969416400000115.9M266G264-M266 PolarHBondContact O-N 3.22Å
265G39.6Very low60.1Low94 Ų94104.2 Ų104.297%0.96961%0.606SS**  trans-69.962.6177.800000115.3
266M52.9Low62.6Low120 Ų120100.6 Ų100.659%0.59159%0.593SS**  trans-97.9107.2159.8-77.7166.363.300107.8G264 V268G264-M266 PolarHBondContact O-N 3.22Å; M266-V268 PolarHBondContact O-N 3.47Å
267S63.8Low65.2Low104 Ų10493.7 Ų93.773%0.72756%0.559SS**  trans-61.6106.3168.3560000108.5N269S267-N269 PolarHBondContact O-N 2.96Å; S267-N269 VanDerWaalsContact O-N 3.16Å
268V79.8Confident67.4Low38 Ų3888.2 Ų88.223%0.2354%0.537CS..  trans-67114.7177.8179.10000108.5M266 T270 V294 L337M266-V268 PolarHBondContact O-N 3.47Å; V268-T270 VanDerWaalsContact C-N 3.33Å; V268-T270 HydrophobicContact CG1-CG2 4.39Å; V268-T270 WeakPolarHBondContact O-CG2 3.33Å; V268-T270 PolarHBondContact O-N 3.42Å; V268-V294 HydrophobicContact CG1-CG1 3.37Å; V268-L337 HydrophobicContact CG1-CD2 4.17Å; V268-L337 HydrophobicContact CG1-CG 4.49Å; V268-L337 HydrophobicContact CG2-CD2 4.49Å
269N85.6Confident70.5Confident107 Ų10782.3 Ų82.357%0.57251%0.509SS*.  trans-73.284.8177.9-69.1-54.7000110.6S267 G271 E272S267-N269 PolarHBondContact O-N 2.96Å; S267-N269 VanDerWaalsContact O-N 3.16Å; N269-G271 PolarHBondContact O-N 3.45Å; N269-G271 VanDerWaalsContact O-N 3.09Å; N269-E272 HydrophobicContact CB-CB 4.28Å; N269-E272 VanDerWaalsContact O-CB 3.26Å; N269-E272 WeakPolarHBondContact O-CB 3.26Å; N269-E272 PolarHBondContact O-N 2.91Å
270T88.3Confident72.9Confident32 Ų3278.5 Ų78.520%0.19649%0.49CS..THydrogen-bonded Turntrans-64.2-19.3-171.564.60000115.3V268 E272 G295 Q298 R426V268-T270 VanDerWaalsContact C-N 3.33Å; V268-T270 HydrophobicContact CG1-CG2 4.39Å; V268-T270 WeakPolarHBondContact O-CG2 3.33Å; V268-T270 PolarHBondContact O-N 3.42Å; T270-E272 VanDerWaalsContact C-N 3.34Å; T270-G295 WeakPolarHBondContact O-CA 3.3Å; T270-G295 PolarHBondContact O-N 3.35Å; T270-Q298 VanDerWaalsContact CG2-OE1 3.32Å; T270-R426 VanDerWaalsContact CG2-NH2 3.28Å; T270-R426 PolarHBondContact OG1-NE 3.34Å; T270-R426 PolarHBondContact OG1-NH2 2.73Å
271G88.1Confident75.4Confident40 Ų4077.4 Ų77.441%0.41248%0.483SS..THydrogen-bonded Turntrans-82.2-10.3175.500000114.3N269N269-G271 PolarHBondContact O-N 3.45Å; N269-G271 VanDerWaalsContact O-N 3.09Å
272E92.9Very high77.7Confident106 Ų10675.3 Ų75.350%0.49546%0.457SS..SBendtrans-65.7142.6179.3-171.2-175.5162.100110.8N269 T270 F274 T293 V294N269-E272 HydrophobicContact CB-CB 4.28Å; N269-E272 VanDerWaalsContact O-CB 3.26Å; N269-E272 WeakPolarHBondContact O-CB 3.26Å; N269-E272 PolarHBondContact O-N 2.91Å; T270-E272 VanDerWaalsContact C-N 3.34Å; E272-F274 PolarHBondContact O-N 3.42Å; E272-T293 CarbonylContact O-C 3.47Å; E272-T293 WeakPolarHBondContact O-CA 3.48Å; E272-T293 WeakPolarHBondContact O-CB 3.37Å; E272-V294 HydrophobicContact CB-CG2 4.01Å; E272-V294 PolarHBondContact O-N 2.88Å
273V94.6Very high79.9Confident59 Ų5971.9 Ų71.936%0.35845%0.447SS..EExtended strand (participates in β ladder)trans-78.8114.1176.2-179.90000109.3C275 K291V273-C275 WeakPolarHBondContact CG1-O 3.39Å; V273-K291 HydrophobicContact CG1-CB 4.06Å; V273-K291 HydrophobicContact CG1-CG 4.19Å; V273-K291 HydrophobicContact CG2-CB 4.11Å; V273-K291 HydrophobicContact CG2-CD 3.88Å; V273-K291 HydrophobicContact CG2-CG 4.16Å
274F95.1Very high81.6Confident6 Ų672.2 Ų72.23%0.02645%0.449CS..EExtended strand (participates in β ladder)trans-71.8-47.3174.5-177.5-109.2000111.8E272 V292 V294 V297 L316 L328 R331 L332 I335E272-F274 PolarHBondContact O-N 3.42Å; F274-V292 WeakPolarHBondContact CB-O 3.43Å; F274-V292 PolarHBondContact N-O 3.48Å; F274-V294 HydrophobicContact CB-CG2 4.26Å; F274-V297 HydrophobicContact CB-CG2 4.23Å; F274-V297 HydrophobicContact CD1-CG2 3.94Å; F274-V297 HydrophobicContact CG-CG2 4.12Å; F274-L316 HydrophobicContact CD1-CD1 4.29Å; F274-L316 HydrophobicContact CD1-CD2 4.32Å; F274-L316 HydrophobicContact CE1-CD1 3.73Å; F274-L328 HydrophobicContact CE1-CD1 4.23Å; F274-L328 HydrophobicContact CZ-CD1 4.08Å; F274-R331 HydrophobicContact CE2-CG 3.87Å; F274-R331 HydrophobicContact CZ-CG 4.01Å; F274-R331 PolarHBondContact O-NH2 3.4Å; F274-L332 HydrophobicContact CE2-CD2 3.85Å; F274-L332 HydrophobicContact CZ-CD2 3.77Å; F274-L332 HydrophobicContact CZ-CG 4.4Å; F274-I335 HydrophobicContact CD2-CD1 3.56Å; F274-I335 HydrophobicContact CE2-CD1 3.66Å
275C95Very high83.5Confident24 Ų2474 Ų7416%0.16245%0.449CS..EExtended strand (participates in β ladder)trans-158.3171.5171.967.50000111.2V273 V292V273-C275 WeakPolarHBondContact CG1-O 3.39Å; C275-V292 PolarHBondContact N-O 2.92Å; C275-V292 PolarHBondContact O-N 3.39Å
276S95.9Very high85.1Confident69 Ų6973.1 Ų73.148%0.48343%0.428SS..EExtended strand (participates in β ladder)trans-111137.6167.6-64.20000109.8Y290S276-Y290 CarbonylContact C-O 3.55Å; S276-Y290 VanDerWaalsContact CA-O 3.28Å; S276-Y290 WeakPolarHBondContact CA-O 3.24Å
277V94.9Very high86.2Confident1 Ų171.6 Ų71.61%0.00643%0.426CS..EExtended strand (participates in β ladder)trans-123.1136.9-176-64.70000110.7K289 Y290 V292 L316 R317 V356V277-K289 WeakPolarHBondContact O-CA 3.14Å; V277-Y290 WeakPolarHBondContact CG2-O 3.22Å; V277-Y290 PolarHBondContact N-O 3.43Å; V277-Y290 PolarHBondContact O-N 3.08Å; V277-V292 HydrophobicContact CB-CG2 4.48Å; V277-V292 HydrophobicContact CG1-CG2 3.94Å; V277-V292 HydrophobicContact CG2-CG2 3.68Å; V277-L316 WeakPolarHBondContact CG1-O 3.33Å; V277-R317 HydrophobicContact CB-CG 4.43Å; V277-V356 HydrophobicContact CG2-CB 4.47Å; V277-V356 HydrophobicContact CG2-CG1 3.88Å; V277-V356 HydrophobicContact CG2-CG2 3.82Å
278P92.5Very high87.2Confident67 Ų6768.8 Ų68.844%0.43541%0.406SS..EExtended strand (participates in β ladder)trans-71.4133.1177.828.3-34.6000110.7R317P278-R317 VanDerWaalsContact C-NH1 3.28Å; P278-R317 WeakPolarHBondContact O-CD 3.47Å; P278-R317 PolarHBondContact O-NE 3.16Å; P278-R317 PolarHBondContact O-NH1 2.84Å
279G92.4Very high87.8Confident16 Ų1674.8 Ų74.817%0.16543%0.429CS..  trans-55.1138.9-176.200000114.3S288 E359G279-S288 PolarHBondContact N-O 3.14Å; G279-E359 VanDerWaalsContact CA-OE1 3.25Å; G279-E359 WeakPolarHBondContact CA-OE1 3.25Å
280R91Very high88.2Confident109 Ų10971.3 Ų71.341%0.41141%0.408SS..SBendtrans-76.6-36174.2-88.1179.8-143.6-73.30.5112.4G314 S354 E359R280-G314 PolarHBondContact NH2-O 3.33Å; R280-S354 PolarHBondContact NE-O 3.22Å; R280-S354 PolarHBondContact NH2-O 3.28Å; R280-E359 PolarHBondContact N-OE1 3.38Å
281L88.6Confident88.6Confident115 Ų11576.6 Ų76.660%0.60243%0.429SS*.SBendtrans-95.26-177.1-55.5-179.5000112.5L355 L363L281-L355 HydrophobicContact CD1-CD2 4.12Å; L281-L355 HydrophobicContact CG-CD2 4.34Å; L281-L363 HydrophobicContact CD1-CD1 4.11Å; L281-L363 HydrophobicContact CD1-CD2 4.06Å; L281-L363 HydrophobicContact CD1-CG 4.49Å
282S84.3Confident89Confident34 Ų3474.8 Ų74.824%0.23841%0.409CS..  trans-84.5135.3180-690000111.4S286 S288S282-S286 WeakPolarHBondContact CB-O 3.4Å; S282-S288 PolarHBondContact OG-N 2.82Å
283L84.9Confident89.1Confident131 Ų13170.2 Ų70.269%0.68639%0.389SS*.  trans-73.2155.6169-63.1178.9000110.7S285 S286 T287L283-S285 PolarHBondContact O-N 3.46Å; L283-S285 VanDerWaalsContact O-N 3.16Å; L283-S286 CarbonylContact O-C 3.25Å; L283-S286 VanDerWaalsContact O-C 3.25Å; L283-S286 PolarHBondContact O-N 2.87Å; L283-T287 PolarHBondContact O-N 2.98Å
284L77.2Confident89.1Confident171 Ų17167.5 Ų67.590%0.89537%0.372SS*.G310 helixtrans-54.5-37.2-176.6-66.5171.9000113S286 T287L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.82Å; L284-T287 PolarHBondContact O-OG1 3.3Å
285S76.6Confident89.1Confident110 Ų11067.2 Ų67.277%0.76937%0.371SS*.G310 helixtrans-74.1-19.3178.556.20000114.3L283L283-S285 PolarHBondContact O-N 3.46Å; L283-S285 VanDerWaalsContact O-N 3.16Å
286S73.5Confident89.2Confident76 Ų7666.2 Ų66.253%0.53136%0.364SS..G310 helixtrans-128.754.9-174.8-56.50000110S282 L283 L284 S288S282-S286 WeakPolarHBondContact CB-O 3.4Å; L283-S286 CarbonylContact O-C 3.25Å; L283-S286 VanDerWaalsContact O-C 3.25Å; L283-S286 PolarHBondContact O-N 2.87Å; L284-S286 VanDerWaalsContact C-N 3.33Å; L284-S286 PolarHBondContact O-N 2.82Å; S286-S288 PolarHBondContact O-N 3.42Å
287T75.8Confident89.1Confident88 Ų8862.9 Ų62.954%0.5434%0.341SS..  trans-69.496.6-177.9-61.60000110.3L283 L284L283-T287 PolarHBondContact O-N 2.98Å; L284-T287 PolarHBondContact O-OG1 3.3Å
288S84.3Confident89.1Confident46 Ų4666.5 Ų66.532%0.32236%0.358SS..  trans-80136.7172.2-60.90000110.3G279 S282 S286G279-S288 PolarHBondContact N-O 3.14Å; S282-S288 PolarHBondContact OG-N 2.82Å; S286-S288 PolarHBondContact O-N 3.42Å
289K92.1Very high89.2Confident164 Ų16464.4 Ų64.471%0.71334%0.341SS*.EExtended strand (participates in β ladder)trans-104.3130168.9-68.8-178.2-178.1175.50109.1V277V277-K289 WeakPolarHBondContact O-CA 3.14Å
290Y94.8Very high89.3Confident33 Ų3363.9 Ų63.913%0.12933%0.334CS..EExtended strand (participates in β ladder)trans-105.3133.8179.5-64.7-88000110.2S276 V277 V356 G358 E359 H362S276-Y290 CarbonylContact C-O 3.55Å; S276-Y290 VanDerWaalsContact CA-O 3.28Å; S276-Y290 WeakPolarHBondContact CA-O 3.24Å; V277-Y290 WeakPolarHBondContact CG2-O 3.22Å; V277-Y290 PolarHBondContact N-O 3.43Å; V277-Y290 PolarHBondContact O-N 3.08Å; Y290-V356 HydrophobicContact CG-CG2 4.26Å; Y290-G358 VanDerWaalsContact CD1-C 3.44Å; Y290-G358 WeakPolarHBondContact CE1-O 3.49Å; Y290-E359 HydrophobicContact CD1-CG 4Å; Y290-E359 HydrophobicContact CD2-CG 3.4Å; Y290-E359 HydrophobicContact CE1-CG 3.99Å; Y290-E359 HydrophobicContact CE2-CG 3.39Å; Y290-E359 HydrophobicContact CG-CG 3.7Å; Y290-H362 HydrophobicContact CE1-CB 4.28Å; Y290-H362 AromaticContact CZ-ND1 3.88Å; Y290-H362 PolarHBondContact OH-ND1 2.95Å
291K95.5Very high89.3Confident144 Ų14459.6 Ų59.663%0.62632%0.319SS*.EExtended strand (participates in β ladder)trans-80123174.7-67.6174.1175.8-178.40108.5V273V273-K291 HydrophobicContact CG1-CB 4.06Å; V273-K291 HydrophobicContact CG1-CG 4.19Å; V273-K291 HydrophobicContact CG2-CB 4.11Å; V273-K291 HydrophobicContact CG2-CD 3.88Å; V273-K291 HydrophobicContact CG2-CG 4.16Å
292V96.4Very high89.5Confident1 Ų156.4 Ų56.41%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-96.3120170.2-178.10000107.2F274 C275 V277 E296 V297 L316 V356F274-V292 WeakPolarHBondContact CB-O 3.43Å; F274-V292 PolarHBondContact N-O 3.48Å; C275-V292 PolarHBondContact N-O 2.92Å; C275-V292 PolarHBondContact O-N 3.39Å; V277-V292 HydrophobicContact CB-CG2 4.48Å; V277-V292 HydrophobicContact CG1-CG2 3.94Å; V277-V292 HydrophobicContact CG2-CG2 3.68Å; V292-E296 HydrophobicContact CG1-CB 4.36Å; V292-E296 HydrophobicContact CG1-CG 4.31Å; V292-V297 HydrophobicContact CG1-CG2 3.87Å; V292-L316 HydrophobicContact CB-CD2 4.32Å; V292-L316 HydrophobicContact CG1-CD2 3.82Å; V292-L316 HydrophobicContact CG2-CD2 4.28Å; V292-V356 HydrophobicContact CG2-CB 4.09Å; V292-V356 HydrophobicContact CG2-CG1 3.67Å; V292-V356 HydrophobicContact CG2-CG2 4.42Å
293T95.8Very high89.8Confident11 Ų1158.7 Ų58.77%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-89160.2-17865.20000111.6E272 G295 E296 V297E272-T293 CarbonylContact O-C 3.47Å; E272-T293 WeakPolarHBondContact O-CA 3.48Å; E272-T293 WeakPolarHBondContact O-CB 3.37Å; T293-G295 PolarHBondContact O-N 3.46Å; T293-E296 PolarHBondContact O-N 3.46Å; T293-E296 PolarHBondContact OG1-N 3.28Å; T293-V297 PolarHBondContact O-N 3.25Å; T293-V297 VanDerWaalsContact O-N 3.12Å
294V94.9Very high90.1Very high1 Ų153.1 Ų53.11%0.00629%0.293CS..Hα-helixtrans-57.5-36.5171.5174.30000110.4V268 E272 F274 V297 Q298 I335 L337V268-V294 HydrophobicContact CG1-CG1 3.37Å; E272-V294 HydrophobicContact CB-CG2 4.01Å; E272-V294 PolarHBondContact O-N 2.88Å; F274-V294 HydrophobicContact CB-CG2 4.26Å; V294-V297 PolarHBondContact O-N 3.36Å; V294-Q298 WeakPolarHBondContact O-CB 3.46Å; V294-Q298 PolarHBondContact O-N 3.01Å; V294-I335 HydrophobicContact CG1-CD1 4.08Å; V294-I335 HydrophobicContact CG2-CD1 3.92Å; V294-L337 HydrophobicContact CG1-CD1 3.96Å; V294-L337 HydrophobicContact CG1-CG 4.41Å
295G94.8Very high90.8Very high0 Ų045.4 Ų45.40%025%0.252CS..Hα-helixtrans-62.2-41.9175.300000113.6T270 T293 Q298 R299T270-G295 WeakPolarHBondContact O-CA 3.3Å; T270-G295 PolarHBondContact O-N 3.35Å; T293-G295 PolarHBondContact O-N 3.46Å; G295-Q298 PolarHBondContact O-N 3.27Å; G295-R299 WeakPolarHBondContact O-CG 3.39Å; G295-R299 PolarHBondContact O-N 3.05Å
296E96.3Very high91.6Very high3 Ų340.6 Ų40.61%0.01422%0.218CC..Hα-helixtrans-62.8-47.3173.9176.2176.9-179.600110.8V292 T293 Q298 R299 R300 V356 E357V292-E296 HydrophobicContact CG1-CB 4.36Å; V292-E296 HydrophobicContact CG1-CG 4.31Å; T293-E296 PolarHBondContact O-N 3.46Å; T293-E296 PolarHBondContact OG1-N 3.28Å; E296-Q298 VanDerWaalsContact C-N 3.3Å; E296-Q298 PolarHBondContact O-N 2.88Å; E296-R299 PolarHBondContact O-N 3.45Å; E296-R300 WeakPolarHBondContact O-CG 3.42Å; E296-R300 PolarHBondContact O-N 3.48Å; E296-R300 IonicContact OE1-NE 3.87Å; E296-R300 PolarHBondContact OE1-NE 3.29Å; E296-V356 WeakPolarHBondContact OE1-CA 3.44Å; E296-V356 WeakPolarHBondContact OE1-CB 3.35Å; E296-E357 HydrophobicContact CB-CG 4.5Å; E296-E357 HydrophobicContact CG-CG 3.91Å; E296-E357 PolarHBondContact OE1-N 2.94Å
297V95.4Very high92.4Very high0 Ų037 Ų370%019%0.193CC..Hα-helixtrans-58.9-45.9178.1177.80000110.4F274 V292 T293 V294 R299 R300 L301 L312 L332 L337F274-V297 HydrophobicContact CB-CG2 4.23Å; F274-V297 HydrophobicContact CD1-CG2 3.94Å; F274-V297 HydrophobicContact CG-CG2 4.12Å; V292-V297 HydrophobicContact CG1-CG2 3.87Å; T293-V297 PolarHBondContact O-N 3.25Å; T293-V297 VanDerWaalsContact O-N 3.12Å; V294-V297 PolarHBondContact O-N 3.36Å; V297-R299 PolarHBondContact O-N 3.3Å; V297-R300 PolarHBondContact O-N 3.16Å; V297-L301 HydrophobicContact CG1-CD1 4.21Å; V297-L301 HydrophobicContact CG1-CG 4.36Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.18Å; V297-L312 HydrophobicContact CG1-CD1 4.47Å; V297-L312 HydrophobicContact CG1-CD2 4.02Å; V297-L332 HydrophobicContact CG1-CD2 3.61Å; V297-L337 HydrophobicContact CB-CD1 4.27Å; V297-L337 HydrophobicContact CG1-CD1 3.94Å
298Q93.9Very high93.1Very high76 Ų7635.1 Ų35.136%0.35518%0.179SC..Hα-helixtrans-56.9-48.6177.3-172.8179.823.800111.6T270 V294 G295 E296 R300 L301 S302 L337T270-Q298 VanDerWaalsContact CG2-OE1 3.32Å; V294-Q298 WeakPolarHBondContact O-CB 3.46Å; V294-Q298 PolarHBondContact O-N 3.01Å; G295-Q298 PolarHBondContact O-N 3.27Å; E296-Q298 VanDerWaalsContact C-N 3.3Å; E296-Q298 PolarHBondContact O-N 2.88Å; Q298-R300 VanDerWaalsContact C-N 3.32Å; Q298-R300 PolarHBondContact O-N 3.01Å; Q298-L301 PolarHBondContact O-N 3.33Å; Q298-S302 PolarHBondContact O-N 3.04Å; Q298-S302 VanDerWaalsContact O-N 3.11Å; Q298-S302 PolarHBondContact O-OG 3.32Å; Q298-L337 HydrophobicContact CB-CD1 4.29Å; Q298-L337 HydrophobicContact CB-CD2 4.1Å; Q298-L337 HydrophobicContact CG-CD2 3.99Å
299R94.6Very high93.4Very high24 Ų2433.3 Ų33.39%0.09117%0.167CC..Hα-helixtrans-59.5-39.5177.6-76.1-175.2-69-95.5-6.6112.8G295 E296 V297 L301 S302 E357 P421 G423 L444G295-R299 WeakPolarHBondContact O-CG 3.39Å; G295-R299 PolarHBondContact O-N 3.05Å; E296-R299 PolarHBondContact O-N 3.45Å; V297-R299 PolarHBondContact O-N 3.3Å; R299-L301 VanDerWaalsContact C-N 3.34Å; R299-S302 WeakPolarHBondContact CA-OG 3.39Å; R299-S302 PolarHBondContact O-N 3.44Å; R299-S302 PolarHBondContact O-OG 2.97Å; R299-E357 IonicContact CZ-OE1 3.68Å; R299-E357 IonicContact CZ-OE2 3.53Å; R299-E357 IonicContact NE-OE1 3.36Å; R299-E357 PolarHBondContact NE-OE1 3.48Å; R299-E357 IonicContact NE-OE2 3.08Å; R299-E357 IonicContact NH2-OE1 3.82Å; R299-E357 PolarHBondContact NH2-OE1 2.66Å; R299-E357 IonicContact NH2-OE2 3.87Å; R299-E357 PolarHBondContact NH2-OE2 3.46Å; R299-P421 VanDerWaalsContact CD-O 3.29Å; R299-P421 WeakPolarHBondContact CD-O 3.2Å; R299-P421 PolarHBondContact NE-O 3.05Å; R299-P421 PolarHBondContact NH1-O 3.44Å; R299-G423 PolarHBondContact NH1-O 2.73Å; R299-G423 PolarHBondContact NH2-O 3.31Å; R299-L444 HydrophobicContact CB-CD2 4.26Å; R299-L444 VanDerWaalsContact CD-CD2 3.47Å; R299-L444 HydrophobicContact CG-CD2 4.07Å
300R94.1Very high93.2Very high5 Ų530.4 Ų30.42%0.01917%0.168CC..Hα-helixtrans-71.9-25.4178.6-70.8-177.1163.4-96.419113.4E296 V297 Q298 E305 C306 L307 T353 L355 H447E296-R300 WeakPolarHBondContact O-CG 3.42Å; E296-R300 PolarHBondContact O-N 3.48Å; E296-R300 IonicContact OE1-NE 3.87Å; E296-R300 PolarHBondContact OE1-NE 3.29Å; V297-R300 PolarHBondContact O-N 3.16Å; Q298-R300 VanDerWaalsContact C-N 3.32Å; Q298-R300 PolarHBondContact O-N 3.01Å; R300-E305 WeakPolarHBondContact CG-OE2 3.39Å; R300-E305 IonicContact CZ-OE2 3.93Å; R300-E305 IonicContact NH1-OE1 2.74Å; R300-E305 IonicContact NH1-OE2 3.55Å; R300-E305 PolarHBondContact NH1-OE2 2.93Å; R300-E305 VanDerWaalsContact NH1-OE2 3.08Å; R300-C306 PolarHBondContact O-N 2.97Å; R300-L307 HydrophobicContact CB-CD1 4.01Å; R300-L307 HydrophobicContact CB-CG 4.31Å; R300-L307 HydrophobicContact CG-CD1 4.38Å; R300-L307 PolarHBondContact O-N 2.84Å; R300-T353 PolarHBondContact NH1-O 3.37Å; R300-T353 VanDerWaalsContact NH1-O 3.14Å; R300-T353 PolarHBondContact NH2-O 3.4Å; R300-L355 PolarHBondContact NH2-O 2.83Å; R300-H447 VanDerWaalsContact CZ-CD2 3.42Å; R300-H447 PolarHBondContact NH1-NE2 3.46Å; R300-H447 VanDerWaalsContact NH1-NE2 3.16Å; R300-H447 PolarHBondContact NH2-CD2 3.47Å; R300-H447 VanDerWaalsContact NH2-CD2 3.3Å; R300-H447 PolarHBondContact NH2-NE2 2.95Å; R300-H447 VanDerWaalsContact NH2-NE2 3.11Å
301L92.4Very high93Very high18 Ų1831.4 Ų31.49%0.09418%0.175CC..Hα-helixtrans-82.4-27.4175.5-66.4-172.7000113.2V297 Q298 R299 L312 L332 L339V297-L301 HydrophobicContact CG1-CD1 4.21Å; V297-L301 HydrophobicContact CG1-CG 4.36Å; V297-L301 WeakPolarHBondContact O-CG 3.46Å; V297-L301 PolarHBondContact O-N 3.18Å; Q298-L301 PolarHBondContact O-N 3.33Å; R299-L301 VanDerWaalsContact C-N 3.34Å; L301-L312 HydrophobicContact CD2-CD2 3.83Å; L301-L312 HydrophobicContact CG-CD2 4.48Å; L301-L332 HydrophobicContact CD1-CD1 4.21Å; L301-L339 HydrophobicContact CD1-CB 4.39Å; L301-L339 HydrophobicContact CD1-CD1 4.42Å; L301-L339 HydrophobicContact CD2-CD1 3.46Å; L301-L339 VanDerWaalsContact CD2-CD1 3.46Å; L301-L339 HydrophobicContact CD2-CD2 4.34Å; L301-L339 HydrophobicContact CD2-CG 4.38Å; L301-L339 HydrophobicContact CG-CD1 4.48Å
302S91.5Very high92.9Very high48 Ų4824.6 Ų24.634%0.33615%0.145SC..SBendtrans-83.3169.1173.6560000112.4Q298 R299 E305 C306Q298-S302 PolarHBondContact O-N 3.04Å; Q298-S302 VanDerWaalsContact O-N 3.11Å; Q298-S302 PolarHBondContact O-OG 3.32Å; R299-S302 WeakPolarHBondContact CA-OG 3.39Å; R299-S302 PolarHBondContact O-N 3.44Å; R299-S302 PolarHBondContact O-OG 2.97Å; S302-E305 PolarHBondContact O-N 3.44Å; S302-C306 PolarHBondContact O-N 3.25Å
303P90.7Very high92.7Very high82 Ų8225.2 Ų25.253%0.53215%0.152SC..THydrogen-bonded Turntrans-51.9145.5162.4-25.235.3000110.8C306P303-C306 VanDerWaalsContact N-SG 3.41Å
304P92.1Very high92.5Very high15 Ų1526.5 Ų26.510%0.09717%0.168CC..THydrogen-bonded Turncis-86.6-20.98.730.2-33.2000116.3A346 A347 H441 L444 I445P304-A346 WeakPolarHBondContact O-CB 3.4Å; P304-A347 WeakPolarHBondContact O-CB 3.25Å; P304-A347 PolarHBondContact O-N 3.28Å; P304-H441 VanDerWaalsContact CB-CD2 3.41Å; P304-H441 WeakPolarHBondContact CB-CD2 3.29Å; P304-H441 WeakPolarHBondContact CB-NE2 3.38Å; P304-L444 HydrophobicContact CG-CB 3.87Å; P304-L444 HydrophobicContact CG-CD1 4.42Å; P304-I445 HydrophobicContact CB-CG2 3.95Å; P304-I445 HydrophobicContact CG-CG2 3.5Å; P304-I445 VanDerWaalsContact CG-CG2 3.5Å
305E92.3Very high92.5Very high8 Ų826.8 Ų26.84%0.03717%0.17CC..THydrogen-bonded Turntrans-77.4-42.4-172.2-67.2-159.1118.900113.1R300 S302 L307 A346 T353 H447R300-E305 WeakPolarHBondContact CG-OE2 3.39Å; R300-E305 IonicContact CZ-OE2 3.93Å; R300-E305 IonicContact NH1-OE1 2.74Å; R300-E305 IonicContact NH1-OE2 3.55Å; R300-E305 PolarHBondContact NH1-OE2 2.93Å; R300-E305 VanDerWaalsContact NH1-OE2 3.08Å; S302-E305 PolarHBondContact O-N 3.44Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 HydrophobicContact CB-CD2 3.94Å; E305-L307 HydrophobicContact CB-CG 4.01Å; E305-L307 PolarHBondContact O-N 3.21Å; E305-A346 PolarHBondContact O-N 2.95Å; E305-T353 WeakPolarHBondContact OE1-CG2 3.41Å; E305-T353 PolarHBondContact OE1-OG1 3.03Å; E305-H447 IonicContact OE1-CE1 3.35Å; E305-H447 PolarHBondContact OE1-CE1 2.88Å; E305-H447 IonicContact OE1-NE2 3.52Å; E305-H447 IonicContact OE2-NE2 3.42Å; E305-H447 PolarHBondContact OE2-NE2 2.72Å
306C91.9Very high92.5Very high9 Ų927.1 Ų27.16%0.06117%0.171CC..  trans4850.1-174.6-650000113R300 S302 P303 A346R300-C306 PolarHBondContact O-N 2.97Å; S302-C306 PolarHBondContact O-N 3.25Å; P303-C306 VanDerWaalsContact N-SG 3.41Å; C306-A346 HydrophobicContact CB-CB 3.8Å
307L91.9Very high92.3Very high2 Ų229.5 Ų29.51%0.0118%0.18CC..  trans-60.4142.9-175.7-63-168.8000112.1R300 E305 L311 V315 T353R300-L307 HydrophobicContact CB-CD1 4.01Å; R300-L307 HydrophobicContact CB-CG 4.31Å; R300-L307 HydrophobicContact CG-CD1 4.38Å; R300-L307 PolarHBondContact O-N 2.84Å; E305-L307 VanDerWaalsContact C-N 3.32Å; E305-L307 HydrophobicContact CB-CD2 3.94Å; E305-L307 HydrophobicContact CB-CG 4.01Å; E305-L307 PolarHBondContact O-N 3.21Å; L307-L311 HydrophobicContact CB-CB 4.42Å; L307-L311 HydrophobicContact CD2-CB 4.25Å; L307-L311 HydrophobicContact CD2-CD1 4.16Å; L307-V315 HydrophobicContact CD1-CG2 4.26Å; L307-T353 HydrophobicContact CD2-CG2 4.33Å
308N89.9Confident91.9Very high47 Ų4733.7 Ų33.725%0.25120%0.196SC..  trans-86.1169.2169.368.941000111.1S310 L311 L312N308-S310 PolarHBondContact O-N 2.67Å; N308-S310 WeakPolarHBondContact OD1-CB 3.37Å; N308-S310 PolarHBondContact OD1-N 3.46Å; N308-L311 PolarHBondContact O-N 3.16Å; N308-L311 PolarHBondContact OD1-N 2.91Å; N308-L312 WeakPolarHBondContact O-CB 3.44Å; N308-L312 PolarHBondContact O-N 3.35Å
309A89.5Confident91.3Very high8 Ų834.4 Ų34.47%0.06622%0.215CC..Hα-helixtrans-57.2-35-178.100000113.9G313 L328 L339A309-G313 PolarHBondContact O-N 3.31Å; A309-L328 HydrophobicContact CB-CD2 4.42Å; A309-L339 HydrophobicContact CB-CD2 3.66Å
310S87.8Confident90.8Very high103 Ų10343.7 Ų43.772%0.7226%0.256SS*.Hα-helixtrans-70.2-45.5-179.6-55.70000111.5N308 G313 G314N308-S310 PolarHBondContact O-N 2.67Å; N308-S310 WeakPolarHBondContact OD1-CB 3.37Å; N308-S310 PolarHBondContact OD1-N 3.46Å; S310-G313 PolarHBondContact O-N 2.98Å; S310-G314 PolarHBondContact O-N 2.89Å
311L91.3Very high90.4Very high54 Ų5446.8 Ų46.828%0.28328%0.278SS..Hα-helixtrans-66.9-45.8177.7-69.4172.4000111L307 N308 G313 G314 V315 K345 V349L307-L311 HydrophobicContact CB-CB 4.42Å; L307-L311 HydrophobicContact CD2-CB 4.25Å; L307-L311 HydrophobicContact CD2-CD1 4.16Å; N308-L311 PolarHBondContact O-N 3.16Å; N308-L311 PolarHBondContact OD1-N 2.91Å; L311-G313 VanDerWaalsContact C-N 3.32Å; L311-G313 PolarHBondContact O-N 3.27Å; L311-G314 PolarHBondContact O-N 3.46Å; L311-G314 VanDerWaalsContact O-N 3.12Å; L311-V315 WeakPolarHBondContact O-CG2 3.5Å; L311-V315 PolarHBondContact O-N 3.22Å; L311-K345 HydrophobicContact CD1-CB 4.43Å; L311-K345 HydrophobicContact CD1-CD 4.11Å; L311-V349 HydrophobicContact CD1-CG2 4.19Å; L311-V349 HydrophobicContact CD2-CG2 4.25Å
312L92.9Very high90.1Very high1 Ų155.8 Ų55.81%0.00532%0.317CS..Hα-helixtrans-59.7-44.4175.1-17762.5000110.9V297 L301 N308 G314 V315 L316 L328 L332 L339V297-L312 HydrophobicContact CG1-CD1 4.47Å; V297-L312 HydrophobicContact CG1-CD2 4.02Å; L301-L312 HydrophobicContact CD2-CD2 3.83Å; L301-L312 HydrophobicContact CG-CD2 4.48Å; N308-L312 WeakPolarHBondContact O-CB 3.44Å; N308-L312 PolarHBondContact O-N 3.35Å; L312-G314 VanDerWaalsContact C-N 3.27Å; L312-G314 PolarHBondContact O-N 3.01Å; L312-V315 PolarHBondContact O-N 3.49Å; L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.21Å; L312-L316 HydrophobicContact CG-CD1 3.93Å; L312-L316 HydrophobicContact CG-CG 4.32Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.38Å; L312-L328 HydrophobicContact CB-CD2 4.33Å; L312-L328 HydrophobicContact CD2-CD2 4.07Å; L312-L328 HydrophobicContact CG-CD2 4.22Å; L312-L332 HydrophobicContact CD2-CD1 4.09Å; L312-L339 HydrophobicContact CD2-CD2 4.39Å
313G92.6Very high89.9Confident14 Ų1457.8 Ų57.814%0.14432%0.324CS..Hα-helixtrans-57.4-38.5174.800000113.4A309 S310 L311 L316 R317 R318A309-G313 PolarHBondContact O-N 3.31Å; S310-G313 PolarHBondContact O-N 2.98Å; L311-G313 VanDerWaalsContact C-N 3.32Å; L311-G313 PolarHBondContact O-N 3.27Å; G313-L316 PolarHBondContact O-N 2.82Å; G313-R317 PolarHBondContact O-N 3.04Å; G313-R318 PolarHBondContact O-N 2.94Å
314G92.3Very high89.8Confident39 Ų3954.6 Ų54.640%0.40231%0.306SS..Hα-helixtrans-67.5-41.8174.800000113.6R280 S310 L311 L312 L316 R317R280-G314 PolarHBondContact NH2-O 3.33Å; S310-G314 PolarHBondContact O-N 2.89Å; L311-G314 PolarHBondContact O-N 3.46Å; L311-G314 VanDerWaalsContact O-N 3.12Å; L312-G314 VanDerWaalsContact C-N 3.27Å; L312-G314 PolarHBondContact O-N 3.01Å; G314-L316 VanDerWaalsContact C-N 3.32Å; G314-R317 PolarHBondContact O-N 3.44Å
315V94.4Very high89.6Confident7 Ų755.6 Ų55.64%0.04232%0.318CS..Hα-helixtrans-60.2-44.4173.1171.80000110.4L307 L311 L312 R317 T353 V356L307-V315 HydrophobicContact CD1-CG2 4.26Å; L311-V315 WeakPolarHBondContact O-CG2 3.5Å; L311-V315 PolarHBondContact O-N 3.22Å; L312-V315 PolarHBondContact O-N 3.49Å; V315-R317 PolarHBondContact O-N 2.91Å; V315-R317 VanDerWaalsContact O-N 3.16Å; V315-T353 WeakPolarHBondContact CG2-O 3.4Å; V315-V356 HydrophobicContact CG1-CG1 3.86Å
316L94.7Very high89.5Confident7 Ų763 Ų634%0.03735%0.346CS..THydrogen-bonded Turntrans-74.72.7179.3-60.3175.2000114.2F274 V277 V292 L312 G313 G314 R318 L328F274-L316 HydrophobicContact CD1-CD1 4.29Å; F274-L316 HydrophobicContact CD1-CD2 4.32Å; F274-L316 HydrophobicContact CE1-CD1 3.73Å; V277-L316 WeakPolarHBondContact CG1-O 3.33Å; V292-L316 HydrophobicContact CB-CD2 4.32Å; V292-L316 HydrophobicContact CG1-CD2 3.82Å; V292-L316 HydrophobicContact CG2-CD2 4.28Å; L312-L316 HydrophobicContact CD1-CD1 4.23Å; L312-L316 HydrophobicContact CD1-CG 4.21Å; L312-L316 HydrophobicContact CG-CD1 3.93Å; L312-L316 HydrophobicContact CG-CG 4.32Å; L312-L316 WeakPolarHBondContact O-CB 3.44Å; L312-L316 WeakPolarHBondContact O-CG 3.39Å; L312-L316 PolarHBondContact O-N 3.38Å; G313-L316 PolarHBondContact O-N 2.82Å; G314-L316 VanDerWaalsContact C-N 3.32Å; L316-R318 HydrophobicContact CB-CG 4.07Å; L316-R318 PolarHBondContact O-N 3.01Å; L316-R318 VanDerWaalsContact O-N 3.08Å; L316-L328 HydrophobicContact CD1-CD1 3.91Å
317R93.1Very high89.5Confident53 Ų5364.8 Ų64.820%0.236%0.359CS..THydrogen-bonded Turntrans53.432.8177.3-53.6179.2-175.712211113.1V277 P278 G313 G314 V315 E359V277-R317 HydrophobicContact CB-CG 4.43Å; P278-R317 VanDerWaalsContact C-NH1 3.28Å; P278-R317 WeakPolarHBondContact O-CD 3.47Å; P278-R317 PolarHBondContact O-NE 3.16Å; P278-R317 PolarHBondContact O-NH1 2.84Å; G313-R317 PolarHBondContact O-N 3.04Å; G314-R317 PolarHBondContact O-N 3.44Å; V315-R317 PolarHBondContact O-N 2.91Å; V315-R317 VanDerWaalsContact O-N 3.16Å; R317-E359 IonicContact CZ-OE1 3.63Å; R317-E359 IonicContact CZ-OE2 3.37Å; R317-E359 IonicContact NH1-OE1 3.97Å; R317-E359 PolarHBondContact NH1-OE1 3.05Å; R317-E359 IonicContact NH1-OE2 2.86Å; R317-E359 IonicContact NH2-OE1 2.7Å; R317-E359 PolarHBondContact NH2-OE1 3.41Å; R317-E359 IonicContact NH2-OE2 3.17Å; R317-E359 PolarHBondContact NH2-OE2 3.49Å
318R86.1Confident89.5Confident88 Ų8864.9 Ų64.933%0.33236%0.359SS..PPolyproline II helixtrans-80.7137177.8-67.2-176.765.6-179.2-1.9109.6G313 L316 S327G313-R318 PolarHBondContact O-N 2.94Å; L316-R318 HydrophobicContact CB-CG 4.07Å; L316-R318 PolarHBondContact O-N 3.01Å; L316-R318 VanDerWaalsContact O-N 3.08Å; R318-S327 PolarHBondContact NH2-OG 3.37Å
319A81.9Confident89.6Confident91 Ų9166 Ų6675%0.75236%0.36SS*.PPolyproline II helixtrans-57.7141.7172.600000110.9S321A319-S321 PolarHBondContact O-N 3.17Å
320K83.4Confident89.8Confident218 Ų21870.2 Ų70.295%0.94838%0.378SS*.PPolyproline II helixtrans-67.8124.2176-168.4177.2-178-177.40108.5
321S85.5Confident90Very high70 Ų7070.4 Ų70.449%0.4936%0.363SS..  trans-134.4150.4176.453.80000109.4A319 N323 G324A319-S321 PolarHBondContact O-N 3.17Å; S321-N323 PolarHBondContact O-N 3.37Å; S321-N323 VanDerWaalsContact O-N 3.12Å; S321-G324 PolarHBondContact O-N 3.29Å; S321-G324 WeakPolarHBondContact OG-CA 3.38Å; S321-G324 PolarHBondContact OG-N 3.45Å
322K86.1Confident90.1Very high207 Ų20767.8 Ų67.890%0.935%0.349SS*.THydrogen-bonded Turntrans-51.5-37.6-178.3-174.7177.9179.2179.50112.2
323N88.1Confident90.1Very high91 Ų9174.6 Ų74.649%0.48738%0.381SS..THydrogen-bonded Turntrans-105.312.5-179.3-63.1-23.6000113.5S321 G325 R326 S327S321-N323 PolarHBondContact O-N 3.37Å; S321-N323 VanDerWaalsContact O-N 3.12Å; N323-G325 VanDerWaalsContact C-N 3.35Å; N323-G325 PolarHBondContact O-N 3.05Å; N323-R326 PolarHBondContact O-N 3.09Å; N323-R326 VanDerWaalsContact O-N 3.11Å; N323-S327 PolarHBondContact O-N 3.15Å
324G87.8Confident90.1Very high15 Ų1582 Ų8216%0.15541%0.409CS..Hα-helixtrans-60.4-40.8-171.300000113.7S321 L328S321-G324 PolarHBondContact O-N 3.29Å; S321-G324 WeakPolarHBondContact OG-CA 3.38Å; S321-G324 PolarHBondContact OG-N 3.45Å; G324-L328 WeakPolarHBondContact O-CB 3.38Å; G324-L328 PolarHBondContact O-N 3.4Å
325G88.4Confident90.1Very high35 Ų3581.9 Ų81.936%0.36140%0.399SS..Hα-helixtrans-66.7-35.9176.600000113.3N323 R329N323-G325 VanDerWaalsContact C-N 3.35Å; N323-G325 PolarHBondContact O-N 3.05Å; G325-R329 VanDerWaalsContact O-CG 3.32Å; G325-R329 WeakPolarHBondContact O-CG 3.43Å; G325-R329 PolarHBondContact O-N 2.96Å
326R90.2Very high89.8Confident165 Ų16583.3 Ų83.362%0.62342%0.415SS*.Hα-helixtrans-69.5-50.2176.5-169.4-173.7-66.5170.4-1.8110.6N323 L328 R329 E330N323-R326 PolarHBondContact O-N 3.09Å; N323-R326 VanDerWaalsContact O-N 3.11Å; R326-L328 VanDerWaalsContact C-N 3.27Å; R326-L328 PolarHBondContact O-N 3.39Å; R326-R329 WeakPolarHBondContact O-CB 3.49Å; R326-R329 PolarHBondContact O-N 3.48Å; R326-E330 WeakPolarHBondContact CG-OE1 3.36Å; R326-E330 WeakPolarHBondContact O-CG 3.13Å; R326-E330 PolarHBondContact O-N 2.9Å
327S91.3Very high89.6Confident46 Ų4683.6 Ų83.632%0.32242%0.417SS..Hα-helixtrans-57.8-37.1175.7166.50000112.8R318 N323 R331R318-S327 PolarHBondContact NH2-OG 3.37Å; N323-S327 PolarHBondContact O-N 3.15Å; S327-R331 WeakPolarHBondContact O-CB 3.49Å; S327-R331 PolarHBondContact O-N 2.95Å
328L91.7Very high89.4Confident3 Ų387.5 Ų87.52%0.01644%0.441CS..Hα-helixtrans-65.2-44.3174.9-178.561.3000111.5F274 A309 L312 L316 G324 R326 R331 L332F274-L328 HydrophobicContact CE1-CD1 4.23Å; F274-L328 HydrophobicContact CZ-CD1 4.08Å; A309-L328 HydrophobicContact CB-CD2 4.42Å; L312-L328 HydrophobicContact CB-CD2 4.33Å; L312-L328 HydrophobicContact CD2-CD2 4.07Å; L312-L328 HydrophobicContact CG-CD2 4.22Å; L316-L328 HydrophobicContact CD1-CD1 3.91Å; G324-L328 WeakPolarHBondContact O-CB 3.38Å; G324-L328 PolarHBondContact O-N 3.4Å; R326-L328 VanDerWaalsContact C-N 3.27Å; R326-L328 PolarHBondContact O-N 3.39Å; L328-R331 PolarHBondContact O-N 3.02Å; L328-L332 HydrophobicContact CD1-CD1 4.28Å; L328-L332 HydrophobicContact CD1-CG 4.31Å; L328-L332 HydrophobicContact CG-CD1 4.06Å; L328-L332 VanDerWaalsContact O-CG 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.36Å
329R92.1Very high89.4Confident71 Ų7183.7 Ų83.727%0.26843%0.427SS..Hα-helixtrans-62-48.9177.1-68.7171.5-161.8-80.90.9111.5G325 R326 R331 L332 E333 L339 P340G325-R329 VanDerWaalsContact O-CG 3.32Å; G325-R329 WeakPolarHBondContact O-CG 3.43Å; G325-R329 PolarHBondContact O-N 2.96Å; R326-R329 WeakPolarHBondContact O-CB 3.49Å; R326-R329 PolarHBondContact O-N 3.48Å; R329-R331 VanDerWaalsContact C-N 3.26Å; R329-R331 PolarHBondContact O-N 3.41Å; R329-L332 PolarHBondContact O-N 3.14Å; R329-L332 VanDerWaalsContact O-N 3.1Å; R329-E333 WeakPolarHBondContact O-CB 3.45Å; R329-E333 PolarHBondContact O-N 3.41Å; R329-L339 HydrophobicContact CG-CB 4.33Å; R329-L339 HydrophobicContact CG-CD2 4.48Å; R329-L339 PolarHBondContact NH1-O 2.86Å; R329-P340 PolarHBondContact NH1-O 3.42Å
330E93.1Very high89.4Confident96 Ų9681.4 Ų81.445%0.44941%0.405SS..Hα-helixtrans-57.4-39.1176.5-69.9167-168.800111.9R326 K334R326-E330 WeakPolarHBondContact CG-OE1 3.36Å; R326-E330 WeakPolarHBondContact O-CG 3.13Å; R326-E330 PolarHBondContact O-N 2.9Å; E330-K334 WeakPolarHBondContact O-CG 3.41Å; E330-K334 PolarHBondContact O-N 3.23Å
331R92.8Very high89.1Confident107 Ų10775 Ų7540%0.40439%0.393SS..Hα-helixtrans-69.9-36.8177.5-169.3177.9-177.4-167.2-2.8112.7F274 S327 L328 R329F274-R331 HydrophobicContact CE2-CG 3.87Å; F274-R331 HydrophobicContact CZ-CG 4.01Å; F274-R331 PolarHBondContact O-NH2 3.4Å; S327-R331 WeakPolarHBondContact O-CB 3.49Å; S327-R331 PolarHBondContact O-N 2.95Å; L328-R331 PolarHBondContact O-N 3.02Å; R329-R331 VanDerWaalsContact C-N 3.26Å; R329-R331 PolarHBondContact O-N 3.41Å
332L93.2Very high88.6Confident0 Ų075.3 Ų75.30%041%0.407CS..Hα-helixtrans-69.8-40.3176.2-68.4171.3000111F274 V297 L301 L312 L328 R329 K334 I335 G336 L337 L339F274-L332 HydrophobicContact CE2-CD2 3.85Å; F274-L332 HydrophobicContact CZ-CD2 3.77Å; F274-L332 HydrophobicContact CZ-CG 4.4Å; V297-L332 HydrophobicContact CG1-CD2 3.61Å; L301-L332 HydrophobicContact CD1-CD1 4.21Å; L312-L332 HydrophobicContact CD2-CD1 4.09Å; L328-L332 HydrophobicContact CD1-CD1 4.28Å; L328-L332 HydrophobicContact CD1-CG 4.31Å; L328-L332 HydrophobicContact CG-CD1 4.06Å; L328-L332 VanDerWaalsContact O-CG 3.22Å; L328-L332 WeakPolarHBondContact O-CG 3.47Å; L328-L332 PolarHBondContact O-N 3.36Å; R329-L332 PolarHBondContact O-N 3.14Å; R329-L332 VanDerWaalsContact O-N 3.1Å; L332-K334 VanDerWaalsContact C-N 3.3Å; L332-K334 PolarHBondContact O-N 3.46Å; L332-I335 HydrophobicContact CD2-CD1 4.16Å; L332-I335 CarbonylContact O-C 3.59Å; L332-I335 WeakPolarHBondContact O-CG1 3.27Å; L332-I335 PolarHBondContact O-N 3.21Å; L332-I335 VanDerWaalsContact O-N 3.09Å; L332-G336 PolarHBondContact O-N 2.73Å; L332-L337 CarbonylContact C-O 3.03Å; L332-L337 HydrophobicContact CB-CB 4.11Å; L332-L337 WeakPolarHBondContact CB-O 3.44Å; L332-L337 HydrophobicContact CD2-CB 4.36Å; L332-L337 HydrophobicContact CD2-CD1 4.24Å; L332-L337 PolarHBondContact O-N 3.38Å; L332-L337 VanDerWaalsContact O-O 3.07Å; L332-L339 HydrophobicContact CD1-CB 3.83Å; L332-L339 HydrophobicContact CD1-CD2 3.77Å; L332-L339 HydrophobicContact CD1-CG 4.45Å
333E92.6Very high88Confident144 Ų14470.5 Ų70.567%0.67338%0.383SS*.Hα-helixtrans-61.2-39.7178.3-173.7170.8-158.700111.7R329 I335 G336 L337R329-E333 WeakPolarHBondContact O-CB 3.45Å; R329-E333 PolarHBondContact O-N 3.41Å; E333-I335 PolarHBondContact O-N 3.44Å; E333-G336 PolarHBondContact O-N 3.06Å; E333-L337 PolarHBondContact N-O 2.92Å
334K92.8Very high87.1Confident169 Ų16977 Ų7774%0.73540%0.401SS*.Hα-helixtrans-59.2-28.2174.9-74.6175.9-176.9-174.60114.5E330 L332E330-K334 WeakPolarHBondContact O-CG 3.41Å; E330-K334 PolarHBondContact O-N 3.23Å; L332-K334 VanDerWaalsContact C-N 3.3Å; L332-K334 PolarHBondContact O-N 3.46Å
335I91.9Very high86.6Confident37 Ų3780.3 Ų80.319%0.1941%0.411CS..THydrogen-bonded Turntrans-99.410.2177.862.3169.5000112.2F274 V294 L332 E333 L337F274-I335 HydrophobicContact CD2-CD1 3.56Å; F274-I335 HydrophobicContact CE2-CD1 3.66Å; V294-I335 HydrophobicContact CG1-CD1 4.08Å; V294-I335 HydrophobicContact CG2-CD1 3.92Å; L332-I335 HydrophobicContact CD2-CD1 4.16Å; L332-I335 CarbonylContact O-C 3.59Å; L332-I335 WeakPolarHBondContact O-CG1 3.27Å; L332-I335 PolarHBondContact O-N 3.21Å; L332-I335 VanDerWaalsContact O-N 3.09Å; E333-I335 PolarHBondContact O-N 3.44Å; I335-L337 HydrophobicContact CD1-CD1 3.94Å; I335-L337 HydrophobicContact CD1-CG 4.21Å; I335-L337 HydrophobicContact CG1-CB 4.34Å; I335-L337 HydrophobicContact CG1-CG 4.24Å
336G89.6Confident86Confident37 Ų3782 Ų8238%0.38142%0.422SS..THydrogen-bonded Turntrans78.417.5179.100000114.8L332 E333L332-G336 PolarHBondContact O-N 2.73Å; E333-G336 PolarHBondContact O-N 3.06Å
337L90.9Very high85.5Confident13 Ų1375.3 Ų75.37%0.06840%0.402CS..  trans-103.6128.1174.4-66.8-173.4000111.1V268 V294 V297 Q298 L332 E333 I335V268-L337 HydrophobicContact CG1-CD2 4.17Å; V268-L337 HydrophobicContact CG1-CG 4.49Å; V268-L337 HydrophobicContact CG2-CD2 4.49Å; V294-L337 HydrophobicContact CG1-CD1 3.96Å; V294-L337 HydrophobicContact CG1-CG 4.41Å; V297-L337 HydrophobicContact CB-CD1 4.27Å; V297-L337 HydrophobicContact CG1-CD1 3.94Å; Q298-L337 HydrophobicContact CB-CD1 4.29Å; Q298-L337 HydrophobicContact CB-CD2 4.1Å; Q298-L337 HydrophobicContact CG-CD2 3.99Å; L332-L337 CarbonylContact C-O 3.03Å; L332-L337 HydrophobicContact CB-CB 4.11Å; L332-L337 WeakPolarHBondContact CB-O 3.44Å; L332-L337 HydrophobicContact CD2-CB 4.36Å; L332-L337 HydrophobicContact CD2-CD1 4.24Å; L332-L337 PolarHBondContact O-N 3.38Å; L332-L337 VanDerWaalsContact O-O 3.07Å; E333-L337 PolarHBondContact N-O 2.92Å; I335-L337 HydrophobicContact CD1-CD1 3.94Å; I335-L337 HydrophobicContact CD1-CG 4.21Å; I335-L337 HydrophobicContact CG1-CB 4.34Å; I335-L337 HydrophobicContact CG1-CG 4.24Å
338N88.6Confident85.3Confident134 Ų13479.6 Ų79.672%0.71742%0.421SS*.  trans-99.1127.1175.6-171.810.3000111.3
339L86.4Confident85.1Confident8 Ų882.8 Ų82.84%0.04244%0.441CS..  trans-112.3104.8169.9-177.752.3000108.5L301 A309 L312 R329 L332L301-L339 HydrophobicContact CD1-CB 4.39Å; L301-L339 HydrophobicContact CD1-CD1 4.42Å; L301-L339 HydrophobicContact CD2-CD1 3.46Å; L301-L339 VanDerWaalsContact CD2-CD1 3.46Å; L301-L339 HydrophobicContact CD2-CD2 4.34Å; L301-L339 HydrophobicContact CD2-CG 4.38Å; L301-L339 HydrophobicContact CG-CD1 4.48Å; A309-L339 HydrophobicContact CB-CD2 3.66Å; L312-L339 HydrophobicContact CD2-CD2 4.39Å; R329-L339 HydrophobicContact CG-CB 4.33Å; R329-L339 HydrophobicContact CG-CD2 4.48Å; R329-L339 PolarHBondContact NH1-O 2.86Å; L332-L339 HydrophobicContact CD1-CB 3.83Å; L332-L339 HydrophobicContact CD1-CD2 3.77Å; L332-L339 HydrophobicContact CD1-CG 4.45Å
340P79.9Confident85.1Confident43 Ų4382.8 Ų82.828%0.27945%0.448SS..  trans-70.9146.8-178.625.6-33.3000112.3R329 R343R329-P340 PolarHBondContact NH1-O 3.42Å; P340-R343 HydrophobicContact CG-CB 4.14Å
341A79.1Confident85.1Confident83 Ų8384.7 Ų84.769%0.68646%0.461SS*.THydrogen-bonded Turntrans-72.7150.9173.700000110.6R343A341-R343 PolarHBondContact O-N 3.04Å
342G73.1Confident85.2Confident77 Ų7781.6 Ų81.679%0.79445%0.452SS*.THydrogen-bonded Turntrans68.43.6176.100000116.5R344G342-R344 PolarHBondContact O-N 3.13Å
343R74.1Confident85.3Confident107 Ų10782 Ų8240%0.40445%0.454SS..PPolyproline II helixtrans-61.1131.6177176.1175.1-72-121.52.2111.2P340 A341P340-R343 HydrophobicContact CG-CB 4.14Å; A341-R343 PolarHBondContact O-N 3.04Å
344R70.4Confident85.3Confident226 Ų22677.1 Ų77.185%0.85344%0.437SS*.PPolyproline II helixtrans-82.2141.5172.2-61.7-177.3-175.8178.41.3110G342G342-R344 PolarHBondContact O-N 3.13Å
345K76.6Confident85.5Confident85 Ų8569.6 Ų69.637%0.3740%0.404SS..PPolyproline II helixtrans-62.2140.7168.8161.5-167.1156.8-1660109.5L311 A347 V349L311-K345 HydrophobicContact CD1-CB 4.43Å; L311-K345 HydrophobicContact CD1-CD 4.11Å; K345-A347 WeakPolarHBondContact CD-O 3.42Å; K345-A347 WeakPolarHBondContact CE-O 3.46Å; K345-A347 WeakPolarHBondContact CG-O 3.39Å; K345-V349 HydrophobicContact CD-CG2 3.77Å
346A75.3Confident85.7Confident72 Ų7267.8 Ų67.860%0.59540%0.395SS*.  trans-101.8-49.5-177.300000113.3P304 E305 C306P304-A346 WeakPolarHBondContact O-CB 3.4Å; E305-A346 PolarHBondContact O-N 2.95Å; C306-A346 HydrophobicContact CB-CB 3.8Å
347A80.1Confident86Confident23 Ų2366.5 Ų66.519%0.1938%0.379CS..SBendtrans-90.8152.7176.300000111.7P304 K345P304-A347 WeakPolarHBondContact O-CB 3.25Å; P304-A347 PolarHBondContact O-N 3.28Å; K345-A347 WeakPolarHBondContact CD-O 3.42Å; K345-A347 WeakPolarHBondContact CE-O 3.46Å; K345-A347 WeakPolarHBondContact CG-O 3.39Å
348N86.2Confident86.2Confident137 Ų13767.3 Ų67.373%0.73339%0.391SS*.PPolyproline II helixtrans-61.2146173.5-75.2-35.1000112
349V88.6Confident86.5Confident70 Ų7061.2 Ų61.242%0.42436%0.358SS..PPolyproline II helixtrans-83.4124.4176.7164.30000105.6L311 K345 T353L311-V349 HydrophobicContact CD1-CG2 4.19Å; L311-V349 HydrophobicContact CD2-CG2 4.25Å; K345-V349 HydrophobicContact CD-CG2 3.77Å; V349-T353 HydrophobicContact CG1-CG2 4.44Å; V349-T353 HydrophobicContact CG2-CG2 4.4Å
350T92.3Very high87Confident70 Ų7060.8 Ų60.843%0.42936%0.356SS..  trans-115176.2176.2690000109.3L352 T353T350-L352 PolarHBondContact O-N 3.02Å; T350-L352 PolarHBondContact OG1-N 3.32Å; T350-T353 PolarHBondContact N-OG1 3.11Å; T350-T353 VanDerWaalsContact N-OG1 3.14Å; T350-T353 WeakPolarHBondContact O-CB 3.29Å; T350-T353 PolarHBondContact O-N 3.24Å; T350-T353 PolarHBondContact OG1-N 3.08Å
351L93.6Very high87.7Confident137 Ų13761.6 Ų61.672%0.71736%0.359SS*.THydrogen-bonded Turntrans-59.9-34.1170.3-63.6179.2000111.5T353 S354L351-T353 VanDerWaalsContact C-N 3.3Å; L351-T353 PolarHBondContact O-N 3.08Å; L351-S354 WeakPolarHBondContact O-CB 3.39Å; L351-S354 PolarHBondContact O-N 2.89Å; L351-S354 VanDerWaalsContact O-N 3.14Å; L351-S354 PolarHBondContact O-OG 3.43Å
352L94.8Very high88.5Confident41 Ų4160.5 Ų60.522%0.21534%0.34CS..G310 helixtrans-65.3-32.3178.4-62.3175.6000112.4T350 S354 L355 T446 H447 F449T350-L352 PolarHBondContact O-N 3.02Å; T350-L352 PolarHBondContact OG1-N 3.32Å; L352-S354 PolarHBondContact O-N 3.4Å; L352-L355 HydrophobicContact CD2-CD1 3.96Å; L352-L355 WeakPolarHBondContact O-CB 3.42Å; L352-L355 PolarHBondContact O-N 2.98Å; L352-T446 HydrophobicContact CD1-CG2 3.87Å; L352-H447 PolarHBondContact O-ND1 3.47Å; L352-F449 HydrophobicContact CD1-CD1 4.49Å; L352-F449 HydrophobicContact CD2-CD1 4.09Å; L352-F449 HydrophobicContact CD2-CG 4.48Å
353T94.1Very high89.6Confident8 Ų859.6 Ų59.65%0.04932%0.317CS..G310 helixtrans-54.6-29.3175-55.70000112R300 E305 L307 V315 V349 T350 L351 L355R300-T353 PolarHBondContact NH1-O 3.37Å; R300-T353 VanDerWaalsContact NH1-O 3.14Å; R300-T353 PolarHBondContact NH2-O 3.4Å; E305-T353 WeakPolarHBondContact OE1-CG2 3.41Å; E305-T353 PolarHBondContact OE1-OG1 3.03Å; L307-T353 HydrophobicContact CD2-CG2 4.33Å; V315-T353 WeakPolarHBondContact CG2-O 3.4Å; V349-T353 HydrophobicContact CG1-CG2 4.44Å; V349-T353 HydrophobicContact CG2-CG2 4.4Å; T350-T353 PolarHBondContact N-OG1 3.11Å; T350-T353 VanDerWaalsContact N-OG1 3.14Å; T350-T353 WeakPolarHBondContact O-CB 3.29Å; T350-T353 PolarHBondContact O-N 3.24Å; T350-T353 PolarHBondContact OG1-N 3.08Å; L351-T353 VanDerWaalsContact C-N 3.3Å; L351-T353 PolarHBondContact O-N 3.08Å; T353-L355 VanDerWaalsContact C-N 3.34Å; T353-L355 PolarHBondContact O-N 3.47Å
354S93.4Very high90.6Very high43 Ų4354.8 Ų54.830%0.30130%0.3SS..G310 helixtrans-74.1-20.1-179.378.30000114.5R280 L351 L352R280-S354 PolarHBondContact NE-O 3.22Å; R280-S354 PolarHBondContact NH2-O 3.28Å; L351-S354 WeakPolarHBondContact O-CB 3.39Å; L351-S354 PolarHBondContact O-N 2.89Å; L351-S354 VanDerWaalsContact O-N 3.14Å; L351-S354 PolarHBondContact O-OG 3.43Å; L352-S354 PolarHBondContact O-N 3.4Å
355L95.6Very high91.8Very high10 Ų1052 Ų525%0.05229%0.29CS..SBendtrans-85.7133.6-177.7-59178.8000110.3L281 R300 L352 T353 E359 A360 L363L281-L355 HydrophobicContact CD1-CD2 4.12Å; L281-L355 HydrophobicContact CG-CD2 4.34Å; R300-L355 PolarHBondContact NH2-O 2.83Å; L352-L355 HydrophobicContact CD2-CD1 3.96Å; L352-L355 WeakPolarHBondContact O-CB 3.42Å; L352-L355 PolarHBondContact O-N 2.98Å; T353-L355 VanDerWaalsContact C-N 3.34Å; T353-L355 PolarHBondContact O-N 3.47Å; L355-E359 HydrophobicContact CB-CB 4.29Å; L355-E359 HydrophobicContact CD2-CB 4.27Å; L355-A360 HydrophobicContact CB-CB 4.26Å; L355-A360 HydrophobicContact CD1-CB 4.3Å; L355-L363 HydrophobicContact CD1-CD2 4.07Å
356V96.6Very high92.8Very high0 Ų051.6 Ų51.60%029%0.291CS..  trans-74.6156.9164.8-59.80000109.8V277 Y290 V292 E296 V315 G358 E359 A360V277-V356 HydrophobicContact CG2-CB 4.47Å; V277-V356 HydrophobicContact CG2-CG1 3.88Å; V277-V356 HydrophobicContact CG2-CG2 3.82Å; Y290-V356 HydrophobicContact CG-CG2 4.26Å; V292-V356 HydrophobicContact CG2-CB 4.09Å; V292-V356 HydrophobicContact CG2-CG1 3.67Å; V292-V356 HydrophobicContact CG2-CG2 4.42Å; E296-V356 WeakPolarHBondContact OE1-CA 3.44Å; E296-V356 WeakPolarHBondContact OE1-CB 3.35Å; V315-V356 HydrophobicContact CG1-CG1 3.86Å; V356-G358 PolarHBondContact O-N 2.82Å; V356-G358 VanDerWaalsContact O-N 3.12Å; V356-E359 HydrophobicContact CG2-CB 4.39Å; V356-E359 HydrophobicContact CG2-CG 3.89Å; V356-E359 WeakPolarHBondContact CG2-OE2 3.38Å; V356-E359 PolarHBondContact N-OE2 3.42Å; V356-E359 WeakPolarHBondContact O-CA 3.32Å; V356-E359 WeakPolarHBondContact O-CB 3.33Å; V356-E359 PolarHBondContact O-N 3.11Å; V356-A360 PolarHBondContact O-N 3.48Å
357E96.2Very high93.8Very high10 Ų1052 Ų525%0.04728%0.28CS..Hα-helixtrans-52.7-40.2-175.8-73.5178.8-173.500112.5E296 R299 E359 A360 V361 I422 G423 H447E296-E357 HydrophobicContact CB-CG 4.5Å; E296-E357 HydrophobicContact CG-CG 3.91Å; E296-E357 PolarHBondContact OE1-N 2.94Å; R299-E357 IonicContact CZ-OE1 3.68Å; R299-E357 IonicContact CZ-OE2 3.53Å; R299-E357 IonicContact NE-OE1 3.36Å; R299-E357 PolarHBondContact NE-OE1 3.48Å; R299-E357 IonicContact NE-OE2 3.08Å; R299-E357 IonicContact NH2-OE1 3.82Å; R299-E357 PolarHBondContact NH2-OE1 2.66Å; R299-E357 IonicContact NH2-OE2 3.87Å; R299-E357 PolarHBondContact NH2-OE2 3.46Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.35Å; E357-A360 PolarHBondContact O-N 3.1Å; E357-V361 WeakPolarHBondContact O-CB 3.33Å; E357-V361 WeakPolarHBondContact O-CG2 3.47Å; E357-V361 PolarHBondContact O-N 3.39Å; E357-I422 HydrophobicContact CG-CG2 4.38Å; E357-G423 WeakPolarHBondContact OE2-CA 3.18Å; E357-G423 PolarHBondContact OE2-N 2.58Å; E357-H447 HydrophobicContact CG-CB 4.13Å
358G95Very high94.7Very high30 Ų3051.9 Ų51.931%0.30928%0.28SS..Hα-helixtrans-59.9-35.4176.500000113.9Y290 V356 H362Y290-G358 VanDerWaalsContact CD1-C 3.44Å; Y290-G358 WeakPolarHBondContact CE1-O 3.49Å; V356-G358 PolarHBondContact O-N 2.82Å; V356-G358 VanDerWaalsContact O-N 3.12Å; G358-H362 WeakPolarHBondContact O-CB 3.41Å; G358-H362 PolarHBondContact O-N 3.01Å
359E95.5Very high95.2Very high5 Ų552.3 Ų52.32%0.02327%0.273CS..Hα-helixtrans-75.1-42.5175.6-70.6171127.700111.8G279 R280 Y290 R317 L355 V356 E357 V361 H362 L363G279-E359 VanDerWaalsContact CA-OE1 3.25Å; G279-E359 WeakPolarHBondContact CA-OE1 3.25Å; R280-E359 PolarHBondContact N-OE1 3.38Å; Y290-E359 HydrophobicContact CD1-CG 4Å; Y290-E359 HydrophobicContact CD2-CG 3.4Å; Y290-E359 HydrophobicContact CE1-CG 3.99Å; Y290-E359 HydrophobicContact CE2-CG 3.39Å; Y290-E359 HydrophobicContact CG-CG 3.7Å; R317-E359 IonicContact CZ-OE1 3.63Å; R317-E359 IonicContact CZ-OE2 3.37Å; R317-E359 IonicContact NH1-OE1 3.97Å; R317-E359 PolarHBondContact NH1-OE1 3.05Å; R317-E359 IonicContact NH1-OE2 2.86Å; R317-E359 IonicContact NH2-OE1 2.7Å; R317-E359 PolarHBondContact NH2-OE1 3.41Å; R317-E359 IonicContact NH2-OE2 3.17Å; R317-E359 PolarHBondContact NH2-OE2 3.49Å; L355-E359 HydrophobicContact CB-CB 4.29Å; L355-E359 HydrophobicContact CD2-CB 4.27Å; V356-E359 HydrophobicContact CG2-CB 4.39Å; V356-E359 HydrophobicContact CG2-CG 3.89Å; V356-E359 WeakPolarHBondContact CG2-OE2 3.38Å; V356-E359 PolarHBondContact N-OE2 3.42Å; V356-E359 WeakPolarHBondContact O-CA 3.32Å; V356-E359 WeakPolarHBondContact O-CB 3.33Å; V356-E359 PolarHBondContact O-N 3.11Å; E357-E359 VanDerWaalsContact C-N 3.29Å; E357-E359 PolarHBondContact O-N 3.35Å; E359-V361 VanDerWaalsContact C-N 3.35Å; E359-H362 PolarHBondContact O-N 3.09Å; E359-L363 VanDerWaalsContact O-CB 3.31Å; E359-L363 WeakPolarHBondContact O-CB 3.41Å; E359-L363 PolarHBondContact O-N 3.34Å
360A96.3Very high95.7Very high0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-62.1-43.8-179.500000111.4L355 V356 E357 L363 A364 H447 F449L355-A360 HydrophobicContact CB-CB 4.26Å; L355-A360 HydrophobicContact CD1-CB 4.3Å; V356-A360 PolarHBondContact O-N 3.48Å; E357-A360 PolarHBondContact O-N 3.1Å; A360-L363 PolarHBondContact O-N 3.04Å; A360-A364 PolarHBondContact O-N 2.99Å; A360-H447 HydrophobicContact CB-CB 3.75Å; A360-H447 VanDerWaalsContact CB-O 3.28Å; A360-H447 WeakPolarHBondContact CB-O 3.26Å; A360-F449 HydrophobicContact CB-CB 4.03Å
361V94.7Very high95.9Very high59 Ų5950.9 Ų50.936%0.35826%0.261SS..Hα-helixtrans-66.3-40.6175.3172.70000111.5E357 E359 A364 R365E357-V361 WeakPolarHBondContact O-CB 3.33Å; E357-V361 WeakPolarHBondContact O-CG2 3.47Å; E357-V361 PolarHBondContact O-N 3.39Å; E359-V361 VanDerWaalsContact C-N 3.35Å; V361-A364 PolarHBondContact O-N 2.94Å; V361-R365 PolarHBondContact O-N 3.02Å; V361-R365 VanDerWaalsContact O-N 3.1Å
362H95.1Very high96Very high61 Ų6151 Ų5128%0.28226%0.257SS..Hα-helixtrans-64.8-45.1176.9-166.9-177.7000111.5Y290 G358 E359 A364 R365 D366Y290-H362 HydrophobicContact CE1-CB 4.28Å; Y290-H362 AromaticContact CZ-ND1 3.88Å; Y290-H362 PolarHBondContact OH-ND1 2.95Å; G358-H362 WeakPolarHBondContact O-CB 3.41Å; G358-H362 PolarHBondContact O-N 3.01Å; E359-H362 PolarHBondContact O-N 3.09Å; H362-A364 VanDerWaalsContact C-N 3.29Å; H362-A364 PolarHBondContact O-N 2.81Å; H362-R365 WeakPolarHBondContact O-CB 3.44Å; H362-R365 PolarHBondContact O-N 2.89Å; H362-R365 VanDerWaalsContact O-N 3.11Å; H362-D366 IonicContact CD2-OD1 3.6Å; H362-D366 IonicContact CD2-OD2 3.31Å; H362-D366 IonicContact NE2-OD1 2.87Å; H362-D366 IonicContact NE2-OD2 3.23Å; H362-D366 PolarHBondContact O-N 3.07Å
363L96.2Very high96.1Very high58 Ų5852.1 Ų52.130%0.30427%0.266SS..Hα-helixtrans-58-42175.6178.363.2000111.8L281 L355 E359 A360 R365 D366 F367 F449L281-L363 HydrophobicContact CD1-CD1 4.11Å; L281-L363 HydrophobicContact CD1-CD2 4.06Å; L281-L363 HydrophobicContact CD1-CG 4.49Å; L355-L363 HydrophobicContact CD1-CD2 4.07Å; E359-L363 VanDerWaalsContact O-CB 3.31Å; E359-L363 WeakPolarHBondContact O-CB 3.41Å; E359-L363 PolarHBondContact O-N 3.34Å; A360-L363 PolarHBondContact O-N 3.04Å; L363-R365 VanDerWaalsContact C-N 3.31Å; L363-R365 PolarHBondContact O-N 3.17Å; L363-D366 PolarHBondContact O-N 3.35Å; L363-F367 WeakPolarHBondContact O-CB 3.22Å; L363-F367 PolarHBondContact O-N 2.76Å; L363-F449 HydrophobicContact CB-CD2 4.29Å; L363-F449 HydrophobicContact CB-CE2 4.49Å; L363-F449 HydrophobicContact CD2-CD2 4.05Å; L363-F449 HydrophobicContact CD2-CE2 3.92Å; L363-F449 HydrophobicContact CG-CD2 4.03Å; L363-F449 HydrophobicContact CG-CE2 3.8Å
364A96.6Very high96.2Very high6 Ų658.1 Ų58.15%0.0529%0.293CS..Hα-helixtrans-64.9-37.2177.900000112.3A360 V361 H362 G368 F449 P452A360-A364 PolarHBondContact O-N 2.99Å; V361-A364 PolarHBondContact O-N 2.94Å; H362-A364 VanDerWaalsContact C-N 3.29Å; H362-A364 PolarHBondContact O-N 2.81Å; A364-G368 PolarHBondContact O-N 3.27Å; A364-F449 HydrophobicContact CB-CD2 3.65Å; A364-F449 HydrophobicContact CB-CE2 4.19Å; A364-F449 HydrophobicContact CB-CG 4.44Å; A364-P452 HydrophobicContact CB-CB 3.96Å
365R96.1Very high96.4Very high168 Ų16860.3 Ų60.363%0.63430%0.298SS*.Hα-helixtrans-64-49.3175.1-177.4-171.1-61.6165-0.6111.4V361 H362 L363 F367 G368 Y369V361-R365 PolarHBondContact O-N 3.02Å; V361-R365 VanDerWaalsContact O-N 3.1Å; H362-R365 WeakPolarHBondContact O-CB 3.44Å; H362-R365 PolarHBondContact O-N 2.89Å; H362-R365 VanDerWaalsContact O-N 3.11Å; L363-R365 VanDerWaalsContact C-N 3.31Å; L363-R365 PolarHBondContact O-N 3.17Å; R365-F367 VanDerWaalsContact C-N 3.31Å; R365-F367 PolarHBondContact O-N 3.04Å; R365-G368 PolarHBondContact O-N 3.2Å; R365-G368 VanDerWaalsContact O-N 3.16Å; R365-Y369 PolarHBondContact O-N 3.03Å
366D96.1Very high96.5Very high75 Ų7563.3 Ų63.340%0.40132%0.318SS..Hα-helixtrans-63.1-41.2-179.9-69.8-3.8000111H362 L363 G368 Y369 I370H362-D366 IonicContact CD2-OD1 3.6Å; H362-D366 IonicContact CD2-OD2 3.31Å; H362-D366 IonicContact NE2-OD1 2.87Å; H362-D366 IonicContact NE2-OD2 3.23Å; H362-D366 PolarHBondContact O-N 3.07Å; L363-D366 PolarHBondContact O-N 3.35Å; D366-G368 VanDerWaalsContact C-N 3.35Å; D366-G368 PolarHBondContact O-N 3.27Å; D366-Y369 PolarHBondContact O-N 3.38Å; D366-I370 WeakPolarHBondContact O-CG1 3.29Å; D366-I370 PolarHBondContact O-N 2.89Å
367F97.6Very high96.5Very high81 Ų8163.9 Ų63.936%0.35532%0.323SS..Hα-helixtrans-59.6-45.1173-179.4-109.4000111.9L363 R365 Y369 I370 C371 A453 A456L363-F367 WeakPolarHBondContact O-CB 3.22Å; L363-F367 PolarHBondContact O-N 2.76Å; R365-F367 VanDerWaalsContact C-N 3.31Å; R365-F367 PolarHBondContact O-N 3.04Å; F367-Y369 PolarHBondContact O-N 2.87Å; F367-I370 PolarHBondContact O-N 3.5Å; F367-C371 VanDerWaalsContact CZ-SG 3.52Å; F367-C371 WeakPolarHBondContact O-CB 3.33Å; F367-C371 PolarHBondContact O-N 3.07Å; F367-C371 PolarHBondContact O-SG 3.32Å; F367-A453 HydrophobicContact CD1-CB 4.13Å; F367-A453 HydrophobicContact CE1-CB 4.36Å; F367-A456 HydrophobicContact CD1-CB 3.92Å; F367-A456 HydrophobicContact CE1-CB 4.06Å
368G97.4Very high96.6Very high20 Ų2069.2 Ų69.221%0.20635%0.346CS..Hα-helixtrans-57.5-47.3174.400000113.1A364 R365 D366 I370 C371 E372A364-G368 PolarHBondContact O-N 3.27Å; R365-G368 PolarHBondContact O-N 3.2Å; R365-G368 VanDerWaalsContact O-N 3.16Å; D366-G368 VanDerWaalsContact C-N 3.35Å; D366-G368 PolarHBondContact O-N 3.27Å; G368-I370 PolarHBondContact O-N 2.78Å; G368-C371 WeakPolarHBondContact O-CB 3.4Å; G368-C371 PolarHBondContact O-N 3.16Å; G368-E372 PolarHBondContact O-N 2.84Å
369Y98.1Very high96.7Very high146 Ų14670.6 Ų70.657%0.57335%0.354SS*.Hα-helixtrans-59-46.4177.5176.5-95.2000112R365 D366 F367 E372 T373R365-Y369 PolarHBondContact O-N 3.03Å; D366-Y369 PolarHBondContact O-N 3.38Å; F367-Y369 PolarHBondContact O-N 2.87Å; Y369-E372 PolarHBondContact O-N 3.21Å; Y369-T373 HydrophobicContact CD2-CG2 4.07Å; Y369-T373 HydrophobicContact CE1-CG2 4.28Å; Y369-T373 HydrophobicContact CE2-CG2 3.69Å; Y369-T373 WeakPolarHBondContact O-CB 3.36Å; Y369-T373 PolarHBondContact O-N 2.65Å; Y369-T373 PolarHBondContact O-OG1 2.79Å
370I97.7Very high96.8Very high93 Ų9372.9 Ų72.948%0.47737%0.368SS..Hα-helixtrans-65.2-41.7178.1-65.8167.5000110.8D366 F367 G368 E372 T373 E374 F375D366-I370 WeakPolarHBondContact O-CG1 3.29Å; D366-I370 PolarHBondContact O-N 2.89Å; F367-I370 PolarHBondContact O-N 3.5Å; G368-I370 PolarHBondContact O-N 2.78Å; I370-E372 PolarHBondContact O-N 3.41Å; I370-T373 PolarHBondContact O-N 3.47Å; I370-E374 HydrophobicContact CG2-CB 4.03Å; I370-E374 HydrophobicContact CG2-CG 4.17Å; I370-E374 WeakPolarHBondContact O-CA 3.42Å; I370-E374 WeakPolarHBondContact O-CB 3.29Å; I370-E374 PolarHBondContact O-N 2.62Å; I370-F375 PolarHBondContact O-N 3.33Å
371C97.3Very high96.8Very high18 Ų1873 Ų7312%0.12237%0.369CS..Hα-helixtrans-59.6-34.4174.7-80.50000112.9F367 G368 F375 A456 A460F367-C371 VanDerWaalsContact CZ-SG 3.52Å; F367-C371 WeakPolarHBondContact O-CB 3.33Å; F367-C371 PolarHBondContact O-N 3.07Å; F367-C371 PolarHBondContact O-SG 3.32Å; G368-C371 WeakPolarHBondContact O-CB 3.4Å; G368-C371 PolarHBondContact O-N 3.16Å; C371-F375 WeakPolarHBondContact O-CB 3.36Å; C371-A456 HydrophobicContact CB-CB 4.46Å; C371-A460 HydrophobicContact CB-CB 4.2Å
372E94.8Very high96.8Very high138 Ų13874.1 Ų74.165%0.64537%0.371SS*.Hα-helixtrans-80.5-41.7179.9-175.4171.7-166.200112.6G368 Y369 I370G368-E372 PolarHBondContact O-N 2.84Å; Y369-E372 PolarHBondContact O-N 3.21Å; I370-E372 PolarHBondContact O-N 3.41Å
373T96.9Very high96.8Very high65 Ų6578 Ų7840%0.39938%0.384SS..Hα-helixtrans-95.1-35.3-169.454.60000114Y369 I370Y369-T373 HydrophobicContact CD2-CG2 4.07Å; Y369-T373 HydrophobicContact CE1-CG2 4.28Å; Y369-T373 HydrophobicContact CE2-CG2 3.69Å; Y369-T373 WeakPolarHBondContact O-CB 3.36Å; Y369-T373 PolarHBondContact O-N 2.65Å; Y369-T373 PolarHBondContact O-OG1 2.79Å; I370-T373 PolarHBondContact O-N 3.47Å
374E97.4Very high96.7Very high134 Ų13477.6 Ų77.663%0.62638%0.382SS*.THydrogen-bonded Turntrans-106.3-19.8-171.3-58-62.2146.800113I370 P376I370-E374 HydrophobicContact CG2-CB 4.03Å; I370-E374 HydrophobicContact CG2-CG 4.17Å; I370-E374 WeakPolarHBondContact O-CA 3.42Å; I370-E374 WeakPolarHBondContact O-CB 3.29Å; I370-E374 PolarHBondContact O-N 2.62Å; E374-P376 WeakPolarHBondContact O-CD 3.44Å
375F96.9Very high96.5Very high89 Ų8977.8 Ų77.839%0.3938%0.382SS..  trans-67.7123.8-178.8-175.7-104.9000111.2I370 C371 A377 A460I370-F375 PolarHBondContact O-N 3.33Å; C371-F375 WeakPolarHBondContact O-CB 3.36Å; F375-A377 HydrophobicContact CD1-CB 4.01Å; F375-A377 HydrophobicContact CE1-CB 4.23Å; F375-A377 PolarHBondContact O-N 3.46Å; F375-A460 HydrophobicContact CB-CB 4.38Å; F375-A460 HydrophobicContact CD1-CB 3.85Å; F375-A460 HydrophobicContact CE1-CB 4.32Å; F375-A460 HydrophobicContact CG-CB 4.07Å
376P97.6Very high96.2Very high73 Ų7378.1 Ų78.147%0.47438%0.383SS..  trans-82.554.3-17034.5-37.9000113E374 K378 A379 V380E374-P376 WeakPolarHBondContact O-CD 3.44Å; P376-K378 VanDerWaalsContact C-N 3.29Å; P376-K378 PolarHBondContact O-N 3.31Å; P376-A379 HydrophobicContact CB-CB 4.38Å; P376-A379 PolarHBondContact O-N 2.87Å; P376-V380 HydrophobicContact CG-CG2 4.1Å; P376-V380 WeakPolarHBondContact O-CG2 3.37Å; P376-V380 PolarHBondContact O-N 2.91Å
377A97.4Very high95.8Very high13 Ų1380.1 Ų80.111%0.10739%0.39CS..Hα-helixtrans-49.6-46.6-175.100000113.2F375 S381 N463F375-A377 HydrophobicContact CD1-CB 4.01Å; F375-A377 HydrophobicContact CE1-CB 4.23Å; F375-A377 PolarHBondContact O-N 3.46Å; A377-S381 WeakPolarHBondContact O-CB 3.44Å; A377-S381 PolarHBondContact O-N 2.94Å; A377-S381 PolarHBondContact O-OG 3.44Å; A377-N463 HydrophobicContact CB-CB 4.15Å
378K96.9Very high95.2Very high122 Ų12279.2 Ų79.253%0.5339%0.387SS..Hα-helixtrans-63.4-53.3-179.9-177178.9174-174.50112.2P376 V380 S381 E382 E467P376-K378 VanDerWaalsContact C-N 3.29Å; P376-K378 PolarHBondContact O-N 3.31Å; K378-V380 VanDerWaalsContact C-N 3.31Å; K378-V380 PolarHBondContact O-N 2.9Å; K378-S381 PolarHBondContact O-N 3.19Å; K378-S381 VanDerWaalsContact O-N 3.12Å; K378-S381 PolarHBondContact O-OG 3.23Å; K378-E382 WeakPolarHBondContact CE-OE1 3.39Å; K378-E382 WeakPolarHBondContact O-CG 3.33Å; K378-E382 PolarHBondContact O-N 3.12Å; K378-E467 HydrophobicContact CB-CG 4.19Å
379A97.4Very high94.4Very high59 Ų5983 Ų8349%0.48841%0.406SS..Hα-helixtrans-61.4-41-177.800000111.8P376 E382 Y383P376-A379 HydrophobicContact CB-CB 4.38Å; P376-A379 PolarHBondContact O-N 2.87Å; A379-E382 PolarHBondContact O-N 3.45Å; A379-Y383 WeakPolarHBondContact O-CB 3.4Å; A379-Y383 PolarHBondContact O-N 3.17Å
380V97.5Very high93.8Very high52 Ų5279.8 Ų79.832%0.31540%0.399SS..Hα-helixtrans-63.2-42.6175.1176.20000111P376 K378 Y383 L384 Y464P376-V380 HydrophobicContact CG-CG2 4.1Å; P376-V380 WeakPolarHBondContact O-CG2 3.37Å; P376-V380 PolarHBondContact O-N 2.91Å; K378-V380 VanDerWaalsContact C-N 3.31Å; K378-V380 PolarHBondContact O-N 2.9Å; V380-Y383 PolarHBondContact O-N 2.93Å; V380-L384 HydrophobicContact CG1-CD1 4.05Å; V380-L384 PolarHBondContact O-N 3.38Å; V380-Y464 HydrophobicContact CB-CD2 4.27Å; V380-Y464 HydrophobicContact CG1-CD2 3.88Å; V380-Y464 HydrophobicContact CG1-CE2 3.9Å
381S96.5Very high93.2Very high3 Ų378.9 Ų78.92%0.02140%0.399CS..Hα-helixtrans-63.9-42.4177.678.20000113.2A377 K378 Y383 L384 N385 E467A377-S381 WeakPolarHBondContact O-CB 3.44Å; A377-S381 PolarHBondContact O-N 2.94Å; A377-S381 PolarHBondContact O-OG 3.44Å; K378-S381 PolarHBondContact O-N 3.19Å; K378-S381 VanDerWaalsContact O-N 3.12Å; K378-S381 PolarHBondContact O-OG 3.23Å; S381-Y383 VanDerWaalsContact C-N 3.34Å; S381-Y383 PolarHBondContact O-N 3.5Å; S381-L384 PolarHBondContact O-N 2.93Å; S381-N385 VanDerWaalsContact O-CB 3.3Å; S381-N385 WeakPolarHBondContact O-CB 3.17Å; S381-N385 PolarHBondContact O-N 3.46Å; S381-E467 VanDerWaalsContact OG-CB 3.25Å; S381-E467 WeakPolarHBondContact OG-CB 3.43Å
382E95.1Very high92.6Very high82 Ų8282.2 Ų82.238%0.38342%0.422SS..Hα-helixtrans-64.8-41.1177.9-72.6178179.300111K378 A379 R386K378-E382 WeakPolarHBondContact CE-OE1 3.39Å; K378-E382 WeakPolarHBondContact O-CG 3.33Å; K378-E382 PolarHBondContact O-N 3.12Å; A379-E382 PolarHBondContact O-N 3.45Å; E382-R386 VanDerWaalsContact O-CG 3.26Å; E382-R386 WeakPolarHBondContact O-CG 3.48Å; E382-R386 PolarHBondContact O-N 3.16Å
383Y95.4Very high92.3Very high143 Ų14380.4 Ų80.456%0.56142%0.417SS*.Hα-helixtrans-62.4-47.5176.7179.3-98000112.1A379 V380 S381A379-Y383 WeakPolarHBondContact O-CB 3.4Å; A379-Y383 PolarHBondContact O-N 3.17Å; V380-Y383 PolarHBondContact O-N 2.93Å; S381-Y383 VanDerWaalsContact C-N 3.34Å; S381-Y383 PolarHBondContact O-N 3.5Å
384L93.9Very high91.9Very high49 Ų4977.5 Ų77.526%0.25740%0.399SS..Hα-helixtrans-73.1-35.9-177.6-71.8174.9000112.9V380 S381 R386 Q387 H388 Y464V380-L384 HydrophobicContact CG1-CD1 4.05Å; V380-L384 PolarHBondContact O-N 3.38Å; S381-L384 PolarHBondContact O-N 2.93Å; L384-R386 VanDerWaalsContact C-N 3.26Å; L384-R386 PolarHBondContact O-N 3.18Å; L384-Q387 WeakPolarHBondContact O-CB 3.4Å; L384-Q387 PolarHBondContact O-N 3.46Å; L384-Q387 VanDerWaalsContact O-N 3.09Å; L384-H388 PolarHBondContact O-CD2 3.45Å; L384-Y464 HydrophobicContact CD1-CE2 3.84Å; L384-Y464 VanDerWaalsContact CD1-OH 3.27Å; L384-Y464 WeakPolarHBondContact CD1-OH 3.47Å
385N92.9Very high91.6Very high10 Ų1076.6 Ų76.65%0.05340%0.395CS..Hα-helixtrans-65-29.7177.3-79.9-7000112.7S381 Q387 H388 A468S381-N385 VanDerWaalsContact O-CB 3.3Å; S381-N385 WeakPolarHBondContact O-CB 3.17Å; S381-N385 PolarHBondContact O-N 3.46Å; N385-Q387 PolarHBondContact O-N 2.94Å; N385-Q387 VanDerWaalsContact O-N 3.15Å; N385-H388 PolarHBondContact O-N 2.92Å; N385-A468 PolarHBondContact ND2-O 3.24Å
386R89.4Confident91.3Very high176 Ų17675.5 Ų75.566%0.66440%0.398SS*.THydrogen-bonded Turntrans-60.9-21.5173.8-71.6167.7-167.8-176.85.3113.3E382 L384 H388 T389E382-R386 VanDerWaalsContact O-CG 3.26Å; E382-R386 WeakPolarHBondContact O-CG 3.48Å; E382-R386 PolarHBondContact O-N 3.16Å; L384-R386 VanDerWaalsContact C-N 3.26Å; L384-R386 PolarHBondContact O-N 3.18Å; R386-H388 VanDerWaalsContact C-N 3.28Å; R386-T389 WeakPolarHBondContact O-CG2 3.28Å
387Q87.8Confident91.1Very high117 Ų11774.7 Ų74.755%0.54739%0.385SS..THydrogen-bonded Turntrans-81.8-10177.3-57-176.6-18.300112.5L384 N385L384-Q387 WeakPolarHBondContact O-CB 3.4Å; L384-Q387 PolarHBondContact O-N 3.46Å; L384-Q387 VanDerWaalsContact O-N 3.09Å; N385-Q387 PolarHBondContact O-N 2.94Å; N385-Q387 VanDerWaalsContact O-N 3.15Å
388H83.8Confident90.9Very high62 Ų6276.7 Ų76.729%0.28739%0.392SS..  trans-119.369.9-175.2-64-61.9000110.7L384 N385 R386 L394 R397 M475L384-H388 PolarHBondContact O-CD2 3.45Å; N385-H388 PolarHBondContact O-N 2.92Å; R386-H388 VanDerWaalsContact C-N 3.28Å; H388-L394 VanDerWaalsContact O-CD2 3.24Å; H388-L394 WeakPolarHBondContact O-CD2 3.25Å; H388-R397 VanDerWaalsContact NE2-CZ 3.28Å; H388-R397 PolarHBondContact NE2-NE 2.86Å; H388-R397 PolarHBondContact NE2-NH2 2.84Å; H388-R397 VanDerWaalsContact NE2-NH2 3.14Å; H388-M475 WeakPolarHBondContact O-CE 3.46Å
389T82.1Confident90.8Very high99 Ų9974.4 Ų74.461%0.60739%0.386SS*.  trans-97.3-12.2-177.553.70000114.6R386 P391 M475R386-T389 WeakPolarHBondContact O-CG2 3.28Å; T389-P391 VanDerWaalsContact O-CD 3.22Å; T389-P391 WeakPolarHBondContact O-CD 3.39Å; T389-M475 HydrophobicContact CG2-CE 4.21Å
390D85.3Confident90.7Very high79 Ų7976.1 Ų76.142%0.42238%0.384SS..  trans-67.4115.6-177.4-169.1-32000110.9S392 D393 L394D390-S392 PolarHBondContact O-N 2.8Å; D390-S392 WeakPolarHBondContact OD1-CB 3.48Å; D390-S392 PolarHBondContact OD1-N 2.88Å; D390-S392 PolarHBondContact OD1-OG 3.3Å; D390-S392 PolarHBondContact OD2-OG 2.86Å; D390-D393 HydrophobicContact CB-CB 4.45Å; D390-D393 PolarHBondContact O-N 2.84Å; D390-D393 VanDerWaalsContact O-N 3.16Å; D390-L394 WeakPolarHBondContact O-CG 3.31Å; D390-L394 PolarHBondContact O-N 2.77Å
391P84Confident90.7Very high74 Ų7473.9 Ų73.948%0.48137%0.371SS..THydrogen-bonded Turntrans-53.4-33.7178.4-30.439.7000115.1T389 D393 N479T389-P391 VanDerWaalsContact O-CD 3.22Å; T389-P391 WeakPolarHBondContact O-CD 3.39Å; P391-D393 VanDerWaalsContact C-N 3.3Å; P391-D393 PolarHBondContact O-N 3.32Å; P391-N479 WeakPolarHBondContact CB-ND2 3.43Å; P391-N479 WeakPolarHBondContact CG-ND2 3.02Å
392S85.3Confident90.7Very high87 Ų8777.6 Ų77.661%0.60839%0.39SS*.THydrogen-bonded Turntrans-69-31.5-176.764.80000112.1D390D390-S392 PolarHBondContact O-N 2.8Å; D390-S392 WeakPolarHBondContact OD1-CB 3.48Å; D390-S392 PolarHBondContact OD1-N 2.88Å; D390-S392 PolarHBondContact OD1-OG 3.3Å; D390-S392 PolarHBondContact OD2-OG 2.86Å
393D87.9Confident90.8Very high100 Ų10076.3 Ų76.354%0.53539%0.393SS..THydrogen-bonded Turntrans-94.7-13.6-176.8-73.3-25.7000113.7D390 P391 H395 S396 R397D390-D393 HydrophobicContact CB-CB 4.45Å; D390-D393 PolarHBondContact O-N 2.84Å; D390-D393 VanDerWaalsContact O-N 3.16Å; P391-D393 VanDerWaalsContact C-N 3.3Å; P391-D393 PolarHBondContact O-N 3.32Å; D393-H395 VanDerWaalsContact C-N 3.26Å; D393-H395 PolarHBondContact O-N 3.12Å; D393-S396 PolarHBondContact O-N 3.25Å; D393-R397 WeakPolarHBondContact O-CB 3.5Å; D393-R397 PolarHBondContact O-N 3.05Å
394L88.8Confident90.9Very high5 Ų571.8 Ų71.83%0.02638%0.38CS..Hα-helixtrans-56.9-39.4-175-65.7-177000112.6H388 D390 R397 K398 M472 M475 F476H388-L394 VanDerWaalsContact O-CD2 3.24Å; H388-L394 WeakPolarHBondContact O-CD2 3.25Å; D390-L394 WeakPolarHBondContact O-CG 3.31Å; D390-L394 PolarHBondContact O-N 2.77Å; L394-R397 PolarHBondContact O-N 3.37Å; L394-K398 WeakPolarHBondContact O-CB 3.46Å; L394-K398 PolarHBondContact O-N 2.82Å; L394-M472 HydrophobicContact CB-CE 3.84Å; L394-M472 HydrophobicContact CD2-CE 3.6Å; L394-M472 HydrophobicContact CD2-SD 4.49Å; L394-M472 HydrophobicContact CG-CE 4.28Å; L394-M472 VanDerWaalsContact O-CE 3.22Å; L394-M472 WeakPolarHBondContact O-CE 3.36Å; L394-M475 HydrophobicContact CD1-CB 4.34Å; L394-M475 HydrophobicContact CD2-CE 4.01Å; L394-F476 HydrophobicContact CB-CE1 3.96Å; L394-F476 HydrophobicContact CB-CE2 4.01Å; L394-F476 HydrophobicContact CB-CZ 3.5Å
395H90.8Very high91Very high115 Ų11572.6 Ų72.653%0.53238%0.382SS..Hα-helixtrans-69.2-46.8-178.9-170.374.5000111.4D393 R397 K398 N399 F476D393-H395 VanDerWaalsContact C-N 3.26Å; D393-H395 PolarHBondContact O-N 3.12Å; H395-R397 VanDerWaalsContact C-N 3.29Å; H395-R397 PolarHBondContact O-N 2.99Å; H395-K398 PolarHBondContact O-N 3.32Å; H395-N399 PolarHBondContact CD2-ND2 3.19Å; H395-N399 PolarHBondContact NE2-ND2 3.41Å; H395-N399 VanDerWaalsContact NE2-ND2 3.16Å; H395-N399 PolarHBondContact O-N 3.37Å; H395-N399 PolarHBondContact O-ND2 3.21Å; H395-F476 HydrophobicContact CB-CZ 4.36Å
396S92.2Very high91.2Very high66 Ų6676.5 Ų76.546%0.46240%0.4SS..Hα-helixtrans-57.2-45173.7-178.40000111.1D393 K398 N399 M400D393-S396 PolarHBondContact O-N 3.25Å; S396-K398 PolarHBondContact O-N 2.7Å; S396-N399 PolarHBondContact O-N 2.86Å; S396-M400 WeakPolarHBondContact O-CG 3.42Å; S396-M400 PolarHBondContact O-N 2.98Å
397R92.8Very high91.6Very high55 Ų5572.5 Ų72.521%0.20839%0.391CS..Hα-helixtrans-61.1-46177.7-176.258.4173.7-178.7-3112.7H388 D393 L394 H395 N399 M400 L401 M472H388-R397 VanDerWaalsContact NE2-CZ 3.28Å; H388-R397 PolarHBondContact NE2-NE 2.86Å; H388-R397 PolarHBondContact NE2-NH2 2.84Å; H388-R397 VanDerWaalsContact NE2-NH2 3.14Å; D393-R397 WeakPolarHBondContact O-CB 3.5Å; D393-R397 PolarHBondContact O-N 3.05Å; L394-R397 PolarHBondContact O-N 3.37Å; H395-R397 VanDerWaalsContact C-N 3.29Å; H395-R397 PolarHBondContact O-N 2.99Å; R397-N399 VanDerWaalsContact C-N 3.32Å; R397-N399 PolarHBondContact O-N 2.74Å; R397-M400 HydrophobicContact CB-CE 4.44Å; R397-M400 PolarHBondContact O-N 3.33Å; R397-L401 WeakPolarHBondContact O-CG 3.2Å; R397-L401 PolarHBondContact O-N 2.74Å; R397-M472 HydrophobicContact CB-CE 4.02Å; R397-M472 HydrophobicContact CG-CE 4.05Å; R397-M472 HydrophobicContact CG-SD 4.17Å
398K93.6Very high92Very high56 Ų5667.2 Ų67.224%0.24337%0.367CS..Hα-helixtrans-59.4-43.4176.3-178.6171.1175.8168.80111.4L394 H395 S396 L401 L402 L469 D473 F476L394-K398 WeakPolarHBondContact O-CB 3.46Å; L394-K398 PolarHBondContact O-N 2.82Å; H395-K398 PolarHBondContact O-N 3.32Å; S396-K398 PolarHBondContact O-N 2.7Å; K398-L401 PolarHBondContact O-N 3.28Å; K398-L402 HydrophobicContact CG-CD1 4.27Å; K398-L402 WeakPolarHBondContact O-CG 3.48Å; K398-L402 PolarHBondContact O-N 2.97Å; K398-L469 HydrophobicContact CG-CD2 3.95Å; K398-D473 IonicContact NZ-OD1 2.58Å; K398-D473 PolarHBondContact NZ-OD1 3.28Å; K398-F476 HydrophobicContact CB-CE2 4.37Å; K398-F476 HydrophobicContact CD-CE2 3.94Å
399N94.9Very high92.6Very high74 Ų7468.6 Ų68.640%0.39637%0.372SS..Hα-helixtrans-64.2-40.9177.9-68.5-16.6000111.9H395 S396 R397 L401 L402 A403H395-N399 PolarHBondContact CD2-ND2 3.19Å; H395-N399 PolarHBondContact NE2-ND2 3.41Å; H395-N399 VanDerWaalsContact NE2-ND2 3.16Å; H395-N399 PolarHBondContact O-N 3.37Å; H395-N399 PolarHBondContact O-ND2 3.21Å; S396-N399 PolarHBondContact O-N 2.86Å; R397-N399 VanDerWaalsContact C-N 3.32Å; R397-N399 PolarHBondContact O-N 2.74Å; N399-L401 PolarHBondContact O-N 2.96Å; N399-L402 PolarHBondContact O-N 3.09Å; N399-A403 WeakPolarHBondContact O-CB 3.35Å; N399-A403 PolarHBondContact O-N 3.15Å
400M95.7Very high93.3Very high94 Ų9468.6 Ų68.646%0.46337%0.365SS..Hα-helixtrans-61.1-41.6174.1-71.8-170.6-7300112.6S396 R397 T404S396-M400 WeakPolarHBondContact O-CG 3.42Å; S396-M400 PolarHBondContact O-N 2.98Å; R397-M400 HydrophobicContact CB-CE 4.44Å; R397-M400 PolarHBondContact O-N 3.33Å; M400-T404 WeakPolarHBondContact O-CB 3.28Å; M400-T404 PolarHBondContact O-N 2.79Å; M400-T404 PolarHBondContact O-OG1 3.12Å
401L95.9Very high93.8Very high6 Ų669.4 Ų69.43%0.03137%0.365CS..Hα-helixtrans-64.3-43.8177.4-70.1171.4000111.8R397 K398 N399 T404 K405 L465 A468 L469 M472R397-L401 WeakPolarHBondContact O-CG 3.2Å; R397-L401 PolarHBondContact O-N 2.74Å; K398-L401 PolarHBondContact O-N 3.28Å; N399-L401 PolarHBondContact O-N 2.96Å; L401-T404 PolarHBondContact O-N 3.31Å; L401-K405 WeakPolarHBondContact O-CB 3.34Å; L401-K405 PolarHBondContact O-N 3.25Å; L401-L465 HydrophobicContact CD2-CD2 3.62Å; L401-A468 HydrophobicContact CD1-CB 4.05Å; L401-A468 HydrophobicContact CD2-CB 4.25Å; L401-L469 HydrophobicContact CB-CD2 3.74Å; L401-L469 HydrophobicContact CB-CG 4.09Å; L401-L469 HydrophobicContact CD1-CD2 4.19Å; L401-L469 HydrophobicContact CD1-CG 4.46Å; L401-M472 HydrophobicContact CD1-CG 3.88Å
402L97.3Very high94.4Very high81 Ų8166.8 Ų66.842%0.42435%0.348SS..Hα-helixtrans-62.7-47.7176.6-73.2170000111.8K398 N399 T404 K405 Q406 L469K398-L402 HydrophobicContact CG-CD1 4.27Å; K398-L402 WeakPolarHBondContact O-CG 3.48Å; K398-L402 PolarHBondContact O-N 2.97Å; N399-L402 PolarHBondContact O-N 3.09Å; L402-T404 VanDerWaalsContact C-N 3.34Å; L402-T404 PolarHBondContact O-N 3.47Å; L402-K405 PolarHBondContact O-N 2.98Å; L402-Q406 PolarHBondContact O-N 3.43Å; L402-L469 HydrophobicContact CD2-CD1 3.72Å; L402-L469 HydrophobicContact CD2-CD2 4.08Å; L402-L469 HydrophobicContact CG-CD1 4.36Å; L402-L469 HydrophobicContact CG-CD2 3.93Å
403A97.1Very high94.9Very high54 Ų5465.9 Ų65.945%0.44634%0.337SS..Hα-helixtrans-60.4-43.9177.800000111.6N399 K405 Q406 L407N399-A403 WeakPolarHBondContact O-CB 3.35Å; N399-A403 PolarHBondContact O-N 3.15Å; A403-K405 PolarHBondContact O-N 3.43Å; A403-Q406 PolarHBondContact O-N 3.4Å; A403-L407 WeakPolarHBondContact O-CG 3.21Å; A403-L407 PolarHBondContact O-N 3.4Å
404T97.3Very high95.3Very high48 Ų4864 Ų6429%0.29433%0.326SS..Hα-helixtrans-62.4-44.7177.1-53.40000111.1M400 L401 L402 Q406 L407 C408 L465M400-T404 WeakPolarHBondContact O-CB 3.28Å; M400-T404 PolarHBondContact O-N 2.79Å; M400-T404 PolarHBondContact O-OG1 3.12Å; L401-T404 PolarHBondContact O-N 3.31Å; L402-T404 VanDerWaalsContact C-N 3.34Å; L402-T404 PolarHBondContact O-N 3.47Å; T404-Q406 VanDerWaalsContact C-N 3.3Å; T404-Q406 PolarHBondContact O-N 3.43Å; T404-L407 PolarHBondContact O-N 2.84Å; T404-C408 PolarHBondContact O-N 2.87Å; T404-C408 PolarHBondContact O-SG 2.81Å; T404-L465 HydrophobicContact CG2-CD1 3.93Å; T404-L465 HydrophobicContact CG2-CD2 4.38Å
405K96.6Very high95.7Very high67 Ų6764.3 Ų64.329%0.29133%0.328SS..Hα-helixtrans-60.3-41.9178.3-177.5175172.31740111.5L401 L402 A403 C408 K409 L465 T466 L469L401-K405 WeakPolarHBondContact O-CB 3.34Å; L401-K405 PolarHBondContact O-N 3.25Å; L402-K405 PolarHBondContact O-N 2.98Å; A403-K405 PolarHBondContact O-N 3.43Å; K405-C408 PolarHBondContact O-N 2.91Å; K405-K409 PolarHBondContact O-N 3.42Å; K405-K409 VanDerWaalsContact O-N 3.08Å; K405-L465 HydrophobicContact CB-CB 4.31Å; K405-L465 HydrophobicContact CB-CD1 3.92Å; K405-T466 PolarHBondContact NZ-OG1 3.38Å; K405-L469 HydrophobicContact CD-CD1 4.26Å
406Q97.1Very high95.8Very high91 Ų9162 Ų6243%0.42533%0.328SS..Hα-helixtrans-64.2-45.4178.2-177.156.335.100112L402 A403 T404 C408 K409 E410L402-Q406 PolarHBondContact O-N 3.43Å; A403-Q406 PolarHBondContact O-N 3.4Å; T404-Q406 VanDerWaalsContact C-N 3.3Å; T404-Q406 PolarHBondContact O-N 3.43Å; Q406-C408 PolarHBondContact O-N 2.79Å; Q406-K409 WeakPolarHBondContact O-CB 3.4Å; Q406-K409 PolarHBondContact O-N 2.86Å; Q406-K409 VanDerWaalsContact O-N 3.14Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.34Å; Q406-E410 PolarHBondContact NE2-OE1 3.43Å; Q406-E410 WeakPolarHBondContact O-CG 3.32Å; Q406-E410 PolarHBondContact O-N 2.9Å
407L97.4Very high95.9Very high92 Ų9262.6 Ų62.648%0.48232%0.324SS..Hα-helixtrans-61.8-41.2176.2-70174.5000112.5A403 T404 K409 E410 F411A403-L407 WeakPolarHBondContact O-CG 3.21Å; A403-L407 PolarHBondContact O-N 3.4Å; T404-L407 PolarHBondContact O-N 2.84Å; L407-K409 VanDerWaalsContact C-N 3.29Å; L407-K409 PolarHBondContact O-N 2.84Å; L407-E410 PolarHBondContact O-N 3.37Å; L407-F411 PolarHBondContact O-N 3.4Å; L407-F411 VanDerWaalsContact O-N 3.11Å
408C96.8Very high96Very high7 Ų761.2 Ų61.25%0.04732%0.321CS..Hα-helixtrans-60.3-40.6174.7-67.50000111.9T404 K405 Q406 T412 L458 Q462T404-C408 PolarHBondContact O-N 2.87Å; T404-C408 PolarHBondContact O-SG 2.81Å; K405-C408 PolarHBondContact O-N 2.91Å; Q406-C408 PolarHBondContact O-N 2.79Å; C408-T412 WeakPolarHBondContact O-CB 3.41Å; C408-T412 PolarHBondContact O-N 3.35Å; C408-T412 PolarHBondContact O-OG1 2.99Å; C408-L458 HydrophobicContact CB-CD2 4.45Å; C408-Q462 HydrophobicContact CB-CG 3.77Å
409K95.3Very high96Very high91 Ų9162.3 Ų62.340%0.39632%0.323SS..Hα-helixtrans-65.9-49.6178.1176.5166.8171.642.50111.8K405 Q406 L407 F411 T412 D413K405-K409 PolarHBondContact O-N 3.42Å; K405-K409 VanDerWaalsContact O-N 3.08Å; Q406-K409 WeakPolarHBondContact O-CB 3.4Å; Q406-K409 PolarHBondContact O-N 2.86Å; Q406-K409 VanDerWaalsContact O-N 3.14Å; L407-K409 VanDerWaalsContact C-N 3.29Å; L407-K409 PolarHBondContact O-N 2.84Å; K409-F411 VanDerWaalsContact C-N 3.29Å; K409-F411 PolarHBondContact O-N 3.44Å; K409-T412 PolarHBondContact O-N 2.8Å; K409-T412 VanDerWaalsContact O-N 3.13Å; K409-D413 WeakPolarHBondContact CG-OD2 3.5Å; K409-D413 IonicContact NZ-OD1 2.69Å; K409-D413 PolarHBondContact NZ-OD1 2.84Å; K409-D413 IonicContact NZ-OD2 3.43Å; K409-D413 PolarHBondContact NZ-OD2 3.45Å; K409-D413 WeakPolarHBondContact O-CB 3.08Å; K409-D413 VanDerWaalsContact O-CG 3.25Å; K409-D413 PolarHBondContact O-N 3.45Å
410E97.1Very high95.9Very high98 Ų9859.3 Ų59.346%0.45831%0.307SS..Hα-helixtrans-56.2-44.3178.5-74.2169.7-162.500112.2Q406 L407 D413 L414Q406-E410 WeakPolarHBondContact CG-OE1 3.34Å; Q406-E410 PolarHBondContact NE2-OE1 3.43Å; Q406-E410 WeakPolarHBondContact O-CG 3.32Å; Q406-E410 PolarHBondContact O-N 2.9Å; L407-E410 PolarHBondContact O-N 3.37Å; E410-D413 PolarHBondContact O-N 3.48Å; E410-L414 PolarHBondContact O-N 3.37Å
411F96.7Very high95.6Very high96 Ų9656.7 Ų56.742%0.42130%0.298SS..Hα-helixtrans-67.9-39.3178.1-175.1-129.9000112.4L407 K409 L414 L415 I454 L458L407-F411 PolarHBondContact O-N 3.4Å; L407-F411 VanDerWaalsContact O-N 3.11Å; K409-F411 VanDerWaalsContact C-N 3.29Å; K409-F411 PolarHBondContact O-N 3.44Å; F411-L414 HydrophobicContact CD2-CD2 4.49Å; F411-L414 PolarHBondContact O-N 3.41Å; F411-L415 HydrophobicContact CD1-CD1 4.44Å; F411-L415 HydrophobicContact CE1-CD1 3.99Å; F411-L415 HydrophobicContact CE2-CD1 4.42Å; F411-L415 HydrophobicContact CE2-CD2 4.34Å; F411-L415 HydrophobicContact CE2-CG 4.27Å; F411-L415 HydrophobicContact CZ-CD1 3.97Å; F411-L415 HydrophobicContact CZ-CD2 4.38Å; F411-L415 HydrophobicContact CZ-CG 4.29Å; F411-L415 WeakPolarHBondContact O-CG 3.14Å; F411-L415 PolarHBondContact O-N 2.99Å; F411-L415 VanDerWaalsContact O-N 3.08Å; F411-I454 HydrophobicContact CE1-CG2 3.93Å; F411-L458 HydrophobicContact CD1-CD1 3.54Å; F411-L458 HydrophobicContact CE1-CD1 4.04Å
412T95.9Very high95.3Very high20 Ų2057.5 Ų57.512%0.12330%0.302CS..Hα-helixtrans-63.6-42.5174.8-56.20000111.3C408 K409 L414 L415 A416 C455C408-T412 WeakPolarHBondContact O-CB 3.41Å; C408-T412 PolarHBondContact O-N 3.35Å; C408-T412 PolarHBondContact O-OG1 2.99Å; K409-T412 PolarHBondContact O-N 2.8Å; K409-T412 VanDerWaalsContact O-N 3.13Å; T412-L414 VanDerWaalsContact C-N 3.31Å; T412-L414 PolarHBondContact O-N 3.19Å; T412-L415 PolarHBondContact O-N 3.07Å; T412-A416 WeakPolarHBondContact O-CB 3.32Å; T412-A416 PolarHBondContact O-N 2.86Å; T412-C455 HydrophobicContact CG2-CB 4.22Å
413D96.4Very high94.7Very high68 Ų6854.8 Ų54.836%0.36429%0.293SS..Hα-helixtrans-64.9-34.9178.9-69.5-17.6000111.2K409 E410 Q417K409-D413 WeakPolarHBondContact CG-OD2 3.5Å; K409-D413 IonicContact NZ-OD1 2.69Å; K409-D413 PolarHBondContact NZ-OD1 2.84Å; K409-D413 IonicContact NZ-OD2 3.43Å; K409-D413 PolarHBondContact NZ-OD2 3.45Å; K409-D413 WeakPolarHBondContact O-CB 3.08Å; K409-D413 VanDerWaalsContact O-CG 3.25Å; K409-D413 PolarHBondContact O-N 3.45Å; E410-D413 PolarHBondContact O-N 3.48Å; D413-Q417 WeakPolarHBondContact O-CG 3.27Å; D413-Q417 PolarHBondContact O-N 2.88Å; D413-Q417 PolarHBondContact O-NE2 3.22Å
414L96.2Very high93.9Very high60 Ų6057.3 Ų57.331%0.31430%0.299SS..Hα-helixtrans-65-46.9171.1177.469.3000111.8E410 F411 T412 A416 Q417 L431 I435E410-L414 PolarHBondContact O-N 3.37Å; F411-L414 HydrophobicContact CD2-CD2 4.49Å; F411-L414 PolarHBondContact O-N 3.41Å; T412-L414 VanDerWaalsContact C-N 3.31Å; T412-L414 PolarHBondContact O-N 3.19Å; L414-A416 VanDerWaalsContact C-N 3.29Å; L414-A416 PolarHBondContact O-N 2.94Å; L414-Q417 WeakPolarHBondContact O-CB 3.31Å; L414-Q417 PolarHBondContact O-N 3.39Å; L414-Q417 VanDerWaalsContact O-N 3.08Å; L414-L431 HydrophobicContact CD1-CD1 4.37Å; L414-L431 HydrophobicContact CD1-CD2 3.83Å; L414-I435 HydrophobicContact CD1-CG2 4.44Å
415L95.9Very high93.1Very high12 Ų1258 Ų586%0.06331%0.306CS..Hα-helixtrans-64.1-34.6178.9-68.2179000112.1F411 T412 Q417 D418 L439 I454F411-L415 HydrophobicContact CD1-CD1 4.44Å; F411-L415 HydrophobicContact CE1-CD1 3.99Å; F411-L415 HydrophobicContact CE2-CD1 4.42Å; F411-L415 HydrophobicContact CE2-CD2 4.34Å; F411-L415 HydrophobicContact CE2-CG 4.27Å; F411-L415 HydrophobicContact CZ-CD1 3.97Å; F411-L415 HydrophobicContact CZ-CD2 4.38Å; F411-L415 HydrophobicContact CZ-CG 4.29Å; F411-L415 WeakPolarHBondContact O-CG 3.14Å; F411-L415 PolarHBondContact O-N 2.99Å; F411-L415 VanDerWaalsContact O-N 3.08Å; T412-L415 PolarHBondContact O-N 3.07Å; L415-Q417 PolarHBondContact O-N 3.3Å; L415-D418 VanDerWaalsContact O-CB 3.29Å; L415-D418 WeakPolarHBondContact O-CB 3.37Å; L415-D418 PolarHBondContact O-N 3.15Å; L415-L439 HydrophobicContact CD2-CD2 3.76Å; L415-I454 HydrophobicContact CD1-CB 4.09Å; L415-I454 HydrophobicContact CD1-CG2 3.64Å
416A94Very high92.4Very high66 Ų6660.9 Ų60.955%0.54532%0.315SS..THydrogen-bonded Turntrans-65.6-17.4174.800000113.5T412 L414 R419T412-A416 WeakPolarHBondContact O-CB 3.32Å; T412-A416 PolarHBondContact O-N 2.86Å; L414-A416 VanDerWaalsContact C-N 3.29Å; L414-A416 PolarHBondContact O-N 2.94Å; A416-R419 PolarHBondContact O-NH1 2.91Å
417Q94.5Very high92Very high78 Ų7859 Ų5936%0.36431%0.31SS..THydrogen-bonded Turntrans-87.1-3.7174.3-69.1169.962.100113.1D413 L414 L415 R419 I430 L431D413-Q417 WeakPolarHBondContact O-CG 3.27Å; D413-Q417 PolarHBondContact O-N 2.88Å; D413-Q417 PolarHBondContact O-NE2 3.22Å; L414-Q417 WeakPolarHBondContact O-CB 3.31Å; L414-Q417 PolarHBondContact O-N 3.39Å; L414-Q417 VanDerWaalsContact O-N 3.08Å; L415-Q417 PolarHBondContact O-N 3.3Å; Q417-R419 WeakPolarHBondContact O-CG 3.4Å; Q417-R419 PolarHBondContact O-N 3.41Å; Q417-R419 PolarHBondContact O-NH1 2.81Å; Q417-I430 HydrophobicContact CB-CD1 3.86Å; Q417-I430 HydrophobicContact CB-CG1 4.35Å; Q417-I430 HydrophobicContact CG-CD1 4Å; Q417-L431 HydrophobicContact CB-CD1 4.1Å; Q417-L431 HydrophobicContact CB-CD2 3.78Å; Q417-L431 HydrophobicContact CB-CG 4.01Å
418D94.5Very high91.5Very high27 Ų2759.1 Ų59.114%0.14432%0.319CS..  trans-57.8126.6174.8-173.99.8000110.3L415 T420 Q436 L439 S443L415-D418 VanDerWaalsContact O-CB 3.29Å; L415-D418 WeakPolarHBondContact O-CB 3.37Å; L415-D418 PolarHBondContact O-N 3.15Å; D418-T420 VanDerWaalsContact CG-OG1 3.24Å; D418-T420 WeakPolarHBondContact OD1-CB 3.45Å; D418-T420 PolarHBondContact OD1-N 2.91Å; D418-T420 PolarHBondContact OD1-OG1 2.79Å; D418-T420 PolarHBondContact OD2-OG1 3.35Å; D418-T420 VanDerWaalsContact OD2-OG1 3.07Å; D418-Q436 PolarHBondContact OD1-NE2 3.5Å; D418-L439 HydrophobicContact CB-CD1 4.21Å; D418-S443 PolarHBondContact OD2-OG 3.45Å
419R93.9Very high91.1Very high79 Ų7962.7 Ų62.730%0.29834%0.343SS..  trans-11429.9177.2-63.2-53.1-180-1101.6112.1A416 Q417 P427 S428 I430A416-R419 PolarHBondContact O-NH1 2.91Å; Q417-R419 WeakPolarHBondContact O-CG 3.4Å; Q417-R419 PolarHBondContact O-N 3.41Å; Q417-R419 PolarHBondContact O-NH1 2.81Å; R419-P427 HydrophobicContact CB-CB 4.09Å; R419-P427 HydrophobicContact CB-CG 3.73Å; R419-P427 HydrophobicContact CG-CB 4.21Å; R419-P427 HydrophobicContact CG-CG 4.27Å; R419-P427 WeakPolarHBondContact O-CG 3.21Å; R419-S428 WeakPolarHBondContact CG-O 3.03Å; R419-I430 HydrophobicContact CG-CD1 4.4Å; R419-I430 HydrophobicContact CG-CG1 3.99Å
420T92.9Very high91.1Very high10 Ų1062.9 Ų62.96%0.06135%0.347CS..  trans-59.4127.8174.1-59.40000110.9D418 I422 Q436 T440 L444D418-T420 VanDerWaalsContact CG-OG1 3.24Å; D418-T420 WeakPolarHBondContact OD1-CB 3.45Å; D418-T420 PolarHBondContact OD1-N 2.91Å; D418-T420 PolarHBondContact OD1-OG1 2.79Å; D418-T420 PolarHBondContact OD2-OG1 3.35Å; D418-T420 VanDerWaalsContact OD2-OG1 3.07Å; T420-I422 HydrophobicContact CG2-CD1 4.05Å; T420-I422 HydrophobicContact CG2-CG1 3.93Å; T420-I422 PolarHBondContact O-N 2.7Å; T420-Q436 PolarHBondContact OG1-NE2 3.39Å; T420-T440 HydrophobicContact CG2-CG2 4.02Å; T420-T440 WeakPolarHBondContact OG1-CA 3.17Å; T420-T440 PolarHBondContact OG1-N 2.61Å; T420-T440 PolarHBondContact OG1-OG1 2.84Å; T420-L444 HydrophobicContact CG2-CD2 4.47Å; T420-L444 HydrophobicContact CG2-CG 4.37Å
421P89Confident91Very high40 Ų4059.3 Ų59.326%0.2633%0.331SS..  trans-74.684.2179.629.7-35.5000111.7R299 S425R299-P421 VanDerWaalsContact CD-O 3.29Å; R299-P421 WeakPolarHBondContact CD-O 3.2Å; R299-P421 PolarHBondContact NE-O 3.05Å; R299-P421 PolarHBondContact NH1-O 3.44Å; P421-S425 WeakPolarHBondContact CA-O 3.36Å
422I88.8Confident90.9Very high23 Ų2360.4 Ų60.412%0.11834%0.337CS..  trans-101.1147.2173.1-61.1-63.9000110.1E357 T420 N424 S425 L444E357-I422 HydrophobicContact CG-CG2 4.38Å; T420-I422 HydrophobicContact CG2-CD1 4.05Å; T420-I422 HydrophobicContact CG2-CG1 3.93Å; T420-I422 PolarHBondContact O-N 2.7Å; I422-N424 PolarHBondContact O-N 3.16Å; I422-S425 PolarHBondContact O-N 2.9Å; I422-S425 PolarHBondContact O-OG 2.7Å; I422-L444 HydrophobicContact CD1-CD2 4.02Å
423G85.8Confident90.8Very high24 Ų2463.2 Ų63.225%0.24736%0.356CS..THydrogen-bonded Turntrans61.4-129-175.500000110.9R299 E357R299-G423 PolarHBondContact NH1-O 2.73Å; R299-G423 PolarHBondContact NH2-O 3.31Å; E357-G423 WeakPolarHBondContact OE2-CA 3.18Å; E357-G423 PolarHBondContact OE2-N 2.58Å
424N80.7Confident90.8Very high107 Ų10761.6 Ų61.657%0.57236%0.355SS*.THydrogen-bonded Turntrans-100.4-0.9179.5-69.1-14.1000113.4I422I422-N424 PolarHBondContact O-N 3.16Å
425S78.8Confident90.8Very high62 Ų6262.3 Ų62.343%0.43436%0.359SS..  trans-78.9139.1179.370.50000110.5P421 I422 P427P421-S425 WeakPolarHBondContact CA-O 3.36Å; I422-S425 PolarHBondContact O-N 2.9Å; I422-S425 PolarHBondContact O-OG 2.7Å; S425-P427 VanDerWaalsContact C-CD 3.49Å
426R82.3Confident90.8Very high128 Ų12862.3 Ų62.348%0.48336%0.358SS..  trans-134.565.1172.8-63.7-160.6-178.8-79.1-1.1110.6T270T270-R426 VanDerWaalsContact CG2-NH2 3.28Å; T270-R426 PolarHBondContact OG1-NE 3.34Å; T270-R426 PolarHBondContact OG1-NH2 2.73Å
427P88.1Confident90.8Very high50 Ų5061.8 Ų61.833%0.32535%0.35SS..PPolyproline II helixtrans-70.7152.7178.829.6-33.3000111.7R419 S425R419-P427 HydrophobicContact CB-CB 4.09Å; R419-P427 HydrophobicContact CB-CG 3.73Å; R419-P427 HydrophobicContact CG-CB 4.21Å; R419-P427 HydrophobicContact CG-CG 4.27Å; R419-P427 WeakPolarHBondContact O-CG 3.21Å; S425-P427 VanDerWaalsContact C-CD 3.49Å
428S87.9Confident90.9Very high96 Ų9662.2 Ų62.267%0.67136%0.361SS*.PPolyproline II helixtrans-68.4132.8168.7-174.60000109.7R419 I430R419-S428 WeakPolarHBondContact CG-O 3.03Å; S428-I430 PolarHBondContact O-N 2.79Å
429P89.3Confident91Very high82 Ų8261.9 Ų61.953%0.53236%0.359SS..PPolyproline II helixtrans-53.2136.9169-27.637000111.7Q436P429-Q436 HydrophobicContact CB-CG 4.21Å
430I94Very high91.1Very high95 Ų9559.8 Ų59.849%0.48736%0.355SS..  trans-118.6-19.7175.162.8176.2000112.4Q417 R419 S428Q417-I430 HydrophobicContact CB-CD1 3.86Å; Q417-I430 HydrophobicContact CB-CG1 4.35Å; Q417-I430 HydrophobicContact CG-CD1 4Å; R419-I430 HydrophobicContact CG-CD1 4.4Å; R419-I430 HydrophobicContact CG-CG1 3.99Å; S428-I430 PolarHBondContact O-N 2.79Å
431L94.9Very high91.2Very high23 Ų2364 Ų6412%0.1237%0.374CS..SBendtrans-84.1159.5178.7-66.7175.5000110.9L414 Q417 I435 Q436 L439L414-L431 HydrophobicContact CD1-CD1 4.37Å; L414-L431 HydrophobicContact CD1-CD2 3.83Å; Q417-L431 HydrophobicContact CB-CD1 4.1Å; Q417-L431 HydrophobicContact CB-CD2 3.78Å; Q417-L431 HydrophobicContact CB-CG 4.01Å; L431-I435 HydrophobicContact CD1-CG2 4.29Å; L431-Q436 HydrophobicContact CB-CB 4.16Å; L431-L439 HydrophobicContact CD1-CD1 3.56Å
432E95.1Very high91.6Very high118 Ų11865.2 Ų65.255%0.55138%0.375SS*.  trans-53.7137.4171.4-173.2-86.9131.300110.2G434 I435 Q436E432-G434 VanDerWaalsContact C-N 3.28Å; E432-G434 VanDerWaalsContact CD-N 3.34Å; E432-G434 PolarHBondContact O-N 3.43Å; E432-G434 PolarHBondContact OE1-N 3.36Å; E432-G434 PolarHBondContact OE2-N 2.94Å; E432-I435 PolarHBondContact O-N 3.11Å; E432-I435 VanDerWaalsContact O-N 3.12Å; E432-I435 PolarHBondContact OE2-N 3.3Å; E432-Q436 PolarHBondContact O-N 3Å
433P93.7Very high91.9Very high79 Ų7964.3 Ų64.351%0.51337%0.371SS..Hα-helixtrans-56.2-36.7-170.7-28.936.1000114.7S437P433-S437 WeakPolarHBondContact O-CB 3.39Å; P433-S437 PolarHBondContact O-N 3.24Å
434G95.9Very high92.4Very high34 Ų3464.6 Ų64.635%0.35137%0.367SS..Hα-helixtrans-61.6-50.5176.300000112.2E432 S437 C438E432-G434 VanDerWaalsContact C-N 3.28Å; E432-G434 VanDerWaalsContact CD-N 3.34Å; E432-G434 PolarHBondContact O-N 3.43Å; E432-G434 PolarHBondContact OE1-N 3.36Å; E432-G434 PolarHBondContact OE2-N 2.94Å; G434-S437 PolarHBondContact O-N 3.43Å; G434-C438 PolarHBondContact O-N 3.41Å; G434-C438 PolarHBondContact O-SG 3.36Å; G434-C438 VanDerWaalsContact O-SG 3.39Å
435I95.9Very high93.1Very high76 Ų7662 Ų6239%0.3935%0.353SS..Hα-helixtrans-64.1-47.6176.7-60.5-56.4000111.7L414 L431 E432 S437 C438 L439L414-I435 HydrophobicContact CD1-CG2 4.44Å; L431-I435 HydrophobicContact CD1-CG2 4.29Å; E432-I435 PolarHBondContact O-N 3.11Å; E432-I435 VanDerWaalsContact O-N 3.12Å; E432-I435 PolarHBondContact OE2-N 3.3Å; I435-S437 VanDerWaalsContact C-N 3.26Å; I435-S437 PolarHBondContact O-N 3.04Å; I435-C438 PolarHBondContact O-N 2.63Å; I435-L439 HydrophobicContact CG2-CD1 3.96Å; I435-L439 HydrophobicContact CG2-CG 4.37Å; I435-L439 WeakPolarHBondContact O-CG 3.34Å; I435-L439 PolarHBondContact O-N 3.23Å
436Q95.8Very high93.9Very high11 Ų1159.4 Ų59.45%0.05133%0.334CS..Hα-helixtrans-60.6-37.8179.6-175.160.461.500111.5D418 T420 P429 L431 E432 L439 T440D418-Q436 PolarHBondContact OD1-NE2 3.5Å; T420-Q436 PolarHBondContact OG1-NE2 3.39Å; P429-Q436 HydrophobicContact CB-CG 4.21Å; L431-Q436 HydrophobicContact CB-CB 4.16Å; E432-Q436 PolarHBondContact O-N 3Å; Q436-L439 PolarHBondContact O-N 3.09Å; Q436-T440 PolarHBondContact NE2-OG1 3.09Å; Q436-T440 WeakPolarHBondContact O-CB 3.49Å; Q436-T440 PolarHBondContact O-N 2.95Å; Q436-T440 PolarHBondContact O-OG1 3.2Å
437S95.3Very high94.6Very high55 Ų5553.4 Ų53.439%0.38531%0.312SS..Hα-helixtrans-62.4-45.2176.8-1770000111.9P433 G434 I435 T440 H441P433-S437 WeakPolarHBondContact O-CB 3.39Å; P433-S437 PolarHBondContact O-N 3.24Å; G434-S437 PolarHBondContact O-N 3.43Å; I435-S437 VanDerWaalsContact C-N 3.26Å; I435-S437 PolarHBondContact O-N 3.04Å; S437-T440 PolarHBondContact O-N 3.17Å; S437-H441 PolarHBondContact O-N 2.97Å
438C96.4Very high94.9Very high87 Ų8751.5 Ų51.559%0.58830%0.301SS*.Hα-helixtrans-62.6-45.1176.6-690000112.2G434 I435 H441 F442G434-C438 PolarHBondContact O-N 3.41Å; G434-C438 PolarHBondContact O-SG 3.36Å; G434-C438 VanDerWaalsContact O-SG 3.39Å; I435-C438 PolarHBondContact O-N 2.63Å; C438-H441 PolarHBondContact O-N 3.28Å; C438-F442 PolarHBondContact O-N 3.38Å; C438-F442 VanDerWaalsContact O-N 3.07Å
439L96.2Very high95.3Very high21 Ų2148.7 Ų48.711%0.1128%0.277CS..Hα-helixtrans-65.6-40.4176.7-67.4176.4000111.5L415 D418 L431 I435 Q436 H441 F442 S443L415-L439 HydrophobicContact CD2-CD2 3.76Å; D418-L439 HydrophobicContact CB-CD1 4.21Å; L431-L439 HydrophobicContact CD1-CD1 3.56Å; I435-L439 HydrophobicContact CG2-CD1 3.96Å; I435-L439 HydrophobicContact CG2-CG 4.37Å; I435-L439 WeakPolarHBondContact O-CG 3.34Å; I435-L439 PolarHBondContact O-N 3.23Å; Q436-L439 PolarHBondContact O-N 3.09Å; L439-H441 PolarHBondContact O-N 2.87Å; L439-F442 PolarHBondContact O-N 3.47Å; L439-S443 VanDerWaalsContact O-CB 3.31Å; L439-S443 WeakPolarHBondContact O-CB 3.32Å; L439-S443 PolarHBondContact O-N 3.05Å; L439-S443 PolarHBondContact O-OG 3Å
440T95.8Very high95.7Very high35 Ų3545 Ų4522%0.21525%0.254CS..Hα-helixtrans-57.9-48.3173.7-60.60000111.3T420 Q436 S437 F442 S443 L444T420-T440 HydrophobicContact CG2-CG2 4.02Å; T420-T440 WeakPolarHBondContact OG1-CA 3.17Å; T420-T440 PolarHBondContact OG1-N 2.61Å; T420-T440 PolarHBondContact OG1-OG1 2.84Å; Q436-T440 PolarHBondContact NE2-OG1 3.09Å; Q436-T440 WeakPolarHBondContact O-CB 3.49Å; Q436-T440 PolarHBondContact O-N 2.95Å; Q436-T440 PolarHBondContact O-OG1 3.2Å; S437-T440 PolarHBondContact O-N 3.17Å; T440-F442 VanDerWaalsContact C-N 3.33Å; T440-F442 PolarHBondContact O-N 3.44Å; T440-S443 PolarHBondContact O-N 3.22Å; T440-L444 HydrophobicContact CG2-CD1 3.73Å; T440-L444 HydrophobicContact CG2-CG 4.21Å; T440-L444 WeakPolarHBondContact O-CB 3.41Å; T440-L444 WeakPolarHBondContact O-CG 3.45Å; T440-L444 PolarHBondContact O-N 3.24Å
441H95.5Very high95.8Very high99 Ų9940.9 Ų40.946%0.45823%0.234SC..Hα-helixtrans-56.5-48.7176.2-177.8-106.2000111.6P304 S437 C438 L439 L444 I445P304-H441 VanDerWaalsContact CB-CD2 3.41Å; P304-H441 WeakPolarHBondContact CB-CD2 3.29Å; P304-H441 WeakPolarHBondContact CB-NE2 3.38Å; S437-H441 PolarHBondContact O-N 2.97Å; C438-H441 PolarHBondContact O-N 3.28Å; L439-H441 PolarHBondContact O-N 2.87Å; H441-L444 PolarHBondContact O-N 3.08Å; H441-I445 WeakPolarHBondContact O-CG1 3.46Å; H441-I445 PolarHBondContact O-N 3.16Å; H441-I445 VanDerWaalsContact O-N 3.09Å
442F96.6Very high95.9Very high64 Ų6443 Ų4328%0.28125%0.249SC..Hα-helixtrans-62.6-47.3179179-115.4000113C438 L439 T440 L444 I445 T446 G450 A451 I454C438-F442 PolarHBondContact O-N 3.38Å; C438-F442 VanDerWaalsContact O-N 3.07Å; L439-F442 PolarHBondContact O-N 3.47Å; T440-F442 VanDerWaalsContact C-N 3.33Å; T440-F442 PolarHBondContact O-N 3.44Å; F442-L444 VanDerWaalsContact C-N 3.32Å; F442-L444 PolarHBondContact O-N 3.36Å; F442-I445 VanDerWaalsContact O-CG1 3.27Å; F442-I445 WeakPolarHBondContact O-CG1 2.98Å; F442-I445 PolarHBondContact O-N 3.39Å; F442-T446 HydrophobicContact CD2-CG2 4Å; F442-T446 HydrophobicContact CE2-CG2 3.68Å; F442-T446 HydrophobicContact CZ-CG2 4.05Å; F442-T446 WeakPolarHBondContact O-CB 3.31Å; F442-T446 WeakPolarHBondContact O-CG2 3.33Å; F442-T446 PolarHBondContact O-N 3.36Å; F442-T446 PolarHBondContact O-OG1 3.4Å; F442-G450 VanDerWaalsContact CE1-C 3.47Å; F442-A451 HydrophobicContact CE1-CB 4.43Å; F442-I454 HydrophobicContact CE1-CD1 3.84Å; F442-I454 HydrophobicContact CZ-CD1 3.74Å
443S96.3Very high96Very high5 Ų537.8 Ų37.84%0.03523%0.226CC..Hα-helixtrans-64.6-35.7179.3-760000111.8D418 L439 T440 T446 H447 G448D418-S443 PolarHBondContact OD2-OG 3.45Å; L439-S443 VanDerWaalsContact O-CB 3.31Å; L439-S443 WeakPolarHBondContact O-CB 3.32Å; L439-S443 PolarHBondContact O-N 3.05Å; L439-S443 PolarHBondContact O-OG 3Å; T440-S443 PolarHBondContact O-N 3.22Å; S443-T446 PolarHBondContact O-OG1 3.03Å; S443-H447 WeakPolarHBondContact O-CA 3.42Å; S443-H447 PolarHBondContact O-N 2.87Å; S443-G448 PolarHBondContact O-N 3.38Å
444L95.6Very high96.2Very high29 Ų2935.4 Ų35.415%0.15221%0.209CC..Hα-helixtrans-69.2-46.5175.4-69.7175.6000112.7R299 P304 T420 I422 T440 H441 F442 T446 H447R299-L444 HydrophobicContact CB-CD2 4.26Å; R299-L444 VanDerWaalsContact CD-CD2 3.47Å; R299-L444 HydrophobicContact CG-CD2 4.07Å; P304-L444 HydrophobicContact CG-CB 3.87Å; P304-L444 HydrophobicContact CG-CD1 4.42Å; T420-L444 HydrophobicContact CG2-CD2 4.47Å; T420-L444 HydrophobicContact CG2-CG 4.37Å; I422-L444 HydrophobicContact CD1-CD2 4.02Å; T440-L444 HydrophobicContact CG2-CD1 3.73Å; T440-L444 HydrophobicContact CG2-CG 4.21Å; T440-L444 WeakPolarHBondContact O-CB 3.41Å; T440-L444 WeakPolarHBondContact O-CG 3.45Å; T440-L444 PolarHBondContact O-N 3.24Å; H441-L444 PolarHBondContact O-N 3.08Å; F442-L444 VanDerWaalsContact C-N 3.32Å; F442-L444 PolarHBondContact O-N 3.36Å; L444-T446 VanDerWaalsContact C-N 3.27Å; L444-T446 PolarHBondContact O-N 3.42Å; L444-H447 PolarHBondContact O-N 2.7Å
445I95.3Very high96.2Very high53 Ų5335 Ų3527%0.27220%0.201SC..Hα-helixtrans-71.2-23.8179.565.3173.1000113P304 H441 F442 H447P304-I445 HydrophobicContact CB-CG2 3.95Å; P304-I445 HydrophobicContact CG-CG2 3.5Å; P304-I445 VanDerWaalsContact CG-CG2 3.5Å; H441-I445 WeakPolarHBondContact O-CG1 3.46Å; H441-I445 PolarHBondContact O-N 3.16Å; H441-I445 VanDerWaalsContact O-N 3.09Å; F442-I445 VanDerWaalsContact O-CG1 3.27Å; F442-I445 WeakPolarHBondContact O-CG1 2.98Å; F442-I445 PolarHBondContact O-N 3.39Å; I445-H447 PolarHBondContact O-CE1 3.27Å; I445-H447 PolarHBondContact O-ND1 3.37Å
446T96.3Very high96.3Very high8 Ų832 Ų325%0.04919%0.186CC..THydrogen-bonded Turntrans-96-2176.862.60000113.2L352 F442 S443 L444 G448 F449 G450L352-T446 HydrophobicContact CD1-CG2 3.87Å; F442-T446 HydrophobicContact CD2-CG2 4Å; F442-T446 HydrophobicContact CE2-CG2 3.68Å; F442-T446 HydrophobicContact CZ-CG2 4.05Å; F442-T446 WeakPolarHBondContact O-CB 3.31Å; F442-T446 WeakPolarHBondContact O-CG2 3.33Å; F442-T446 PolarHBondContact O-N 3.36Å; F442-T446 PolarHBondContact O-OG1 3.4Å; S443-T446 PolarHBondContact O-OG1 3.03Å; L444-T446 VanDerWaalsContact C-N 3.27Å; L444-T446 PolarHBondContact O-N 3.42Å; T446-G448 PolarHBondContact O-N 2.85Å; T446-F449 WeakPolarHBondContact O-CB 3.43Å; T446-F449 PolarHBondContact O-N 3.24Å; T446-F449 VanDerWaalsContact O-N 3.09Å; T446-G450 PolarHBondContact OG1-N 2.92Å; T446-G450 VanDerWaalsContact OG1-N 3.15Å
447H95.7Very high96.4Very high2 Ų233 Ų331%0.00920%0.197CC..THydrogen-bonded Turntrans58.233.3178.6-50.577000112.9R300 E305 L352 E357 A360 S443 L444 I445 F449R300-H447 VanDerWaalsContact CZ-CD2 3.42Å; R300-H447 PolarHBondContact NH1-NE2 3.46Å; R300-H447 VanDerWaalsContact NH1-NE2 3.16Å; R300-H447 PolarHBondContact NH2-CD2 3.47Å; R300-H447 VanDerWaalsContact NH2-CD2 3.3Å; R300-H447 PolarHBondContact NH2-NE2 2.95Å; R300-H447 VanDerWaalsContact NH2-NE2 3.11Å; E305-H447 IonicContact OE1-CE1 3.35Å; E305-H447 PolarHBondContact OE1-CE1 2.88Å; E305-H447 IonicContact OE1-NE2 3.52Å; E305-H447 IonicContact OE2-NE2 3.42Å; E305-H447 PolarHBondContact OE2-NE2 2.72Å; L352-H447 PolarHBondContact O-ND1 3.47Å; E357-H447 HydrophobicContact CG-CB 4.13Å; A360-H447 HydrophobicContact CB-CB 3.75Å; A360-H447 VanDerWaalsContact CB-O 3.28Å; A360-H447 WeakPolarHBondContact CB-O 3.26Å; S443-H447 WeakPolarHBondContact O-CA 3.42Å; S443-H447 PolarHBondContact O-N 2.87Å; L444-H447 PolarHBondContact O-N 2.7Å; I445-H447 PolarHBondContact O-CE1 3.27Å; I445-H447 PolarHBondContact O-ND1 3.37Å; H447-F449 VanDerWaalsContact C-N 3.34Å
448G95.1Very high96.5Very high10 Ų1031 Ų3110%0.10318%0.182CC..THydrogen-bonded Turntrans82.50.2-177.600000115.6S443 T446 P452S443-G448 PolarHBondContact O-N 3.38Å; T446-G448 PolarHBondContact O-N 2.85Å; G448-P452 WeakPolarHBondContact O-CD 3.39Å; G448-P452 WeakPolarHBondContact O-CG 3.28Å
449F97.4Very high96.5Very high37 Ų3729.6 Ų29.616%0.16217%0.17CC..  trans-74.3-40175.7169.7-97.4000112.9L352 A360 L363 A364 T446 H447 P452 A453L352-F449 HydrophobicContact CD1-CD1 4.49Å; L352-F449 HydrophobicContact CD2-CD1 4.09Å; L352-F449 HydrophobicContact CD2-CG 4.48Å; A360-F449 HydrophobicContact CB-CB 4.03Å; L363-F449 HydrophobicContact CB-CD2 4.29Å; L363-F449 HydrophobicContact CB-CE2 4.49Å; L363-F449 HydrophobicContact CD2-CD2 4.05Å; L363-F449 HydrophobicContact CD2-CE2 3.92Å; L363-F449 HydrophobicContact CG-CD2 4.03Å; L363-F449 HydrophobicContact CG-CE2 3.8Å; A364-F449 HydrophobicContact CB-CD2 3.65Å; A364-F449 HydrophobicContact CB-CE2 4.19Å; A364-F449 HydrophobicContact CB-CG 4.44Å; T446-F449 WeakPolarHBondContact O-CB 3.43Å; T446-F449 PolarHBondContact O-N 3.24Å; T446-F449 VanDerWaalsContact O-N 3.09Å; H447-F449 VanDerWaalsContact C-N 3.34Å; F449-P452 WeakPolarHBondContact O-CD 3.41Å; F449-A453 HydrophobicContact CD1-CB 4.18Å; F449-A453 HydrophobicContact CD2-CB 4.35Å; F449-A453 HydrophobicContact CE1-CB 3.69Å; F449-A453 HydrophobicContact CE2-CB 3.85Å; F449-A453 HydrophobicContact CG-CB 4.49Å; F449-A453 HydrophobicContact CZ-CB 3.5Å; F449-A453 VanDerWaalsContact CZ-CB 3.5Å; F449-A453 VanDerWaalsContact O-CB 3.29Å; F449-A453 WeakPolarHBondContact O-CB 3.43Å; F449-A453 PolarHBondContact O-N 3.18Å
450G96.6Very high96.5Very high5 Ų528.9 Ų28.95%0.05217%0.168CC..Hα-helixtrans-60.8-59.8-161.600000114.5F442 T446 A453 I454F442-G450 VanDerWaalsContact CE1-C 3.47Å; T446-G450 PolarHBondContact OG1-N 2.92Å; T446-G450 VanDerWaalsContact OG1-N 3.15Å; G450-A453 PolarHBondContact O-N 3.46Å; G450-I454 WeakPolarHBondContact O-CG1 3.13Å; G450-I454 PolarHBondContact O-N 3.09Å
451A96.3Very high96.6Very high8 Ų829.7 Ų29.77%0.06617%0.171CC..Hα-helixtrans-62.7-46.4-17600000112.3F442 A453 I454 C455F442-A451 HydrophobicContact CE1-CB 4.43Å; A451-A453 VanDerWaalsContact C-N 3.32Å; A451-A453 PolarHBondContact O-N 3.17Å; A451-I454 PolarHBondContact O-N 3.15Å; A451-C455 PolarHBondContact O-N 2.83Å; A451-C455 PolarHBondContact O-SG 3.11Å; A451-C455 VanDerWaalsContact O-SG 3.32Å
452P96.4Very high96.7Very high66 Ų6626.4 Ų26.443%0.42916%0.155SC..Hα-helixtrans-59.9-37.5174.7-26.236.1000113.9A364 G448 F449 C455 A456A364-P452 HydrophobicContact CB-CB 3.96Å; G448-P452 WeakPolarHBondContact O-CD 3.39Å; G448-P452 WeakPolarHBondContact O-CG 3.28Å; F449-P452 WeakPolarHBondContact O-CD 3.41Å; P452-C455 PolarHBondContact O-N 3.01Å; P452-A456 WeakPolarHBondContact O-CB 3.47Å; P452-A456 PolarHBondContact O-N 3.49Å
453A97.4Very high96.8Very high10 Ų1026.3 Ų26.38%0.08316%0.158CC..Hα-helixtrans-66.2-39.3176.300000112.5F367 F449 G450 A451 A456 A457F367-A453 HydrophobicContact CD1-CB 4.13Å; F367-A453 HydrophobicContact CE1-CB 4.36Å; F449-A453 HydrophobicContact CD1-CB 4.18Å; F449-A453 HydrophobicContact CD2-CB 4.35Å; F449-A453 HydrophobicContact CE1-CB 3.69Å; F449-A453 HydrophobicContact CE2-CB 3.85Å; F449-A453 HydrophobicContact CG-CB 4.49Å; F449-A453 HydrophobicContact CZ-CB 3.5Å; F449-A453 VanDerWaalsContact CZ-CB 3.5Å; F449-A453 VanDerWaalsContact O-CB 3.29Å; F449-A453 WeakPolarHBondContact O-CB 3.43Å; F449-A453 PolarHBondContact O-N 3.18Å; G450-A453 PolarHBondContact O-N 3.46Å; A451-A453 VanDerWaalsContact C-N 3.32Å; A451-A453 PolarHBondContact O-N 3.17Å; A453-A456 PolarHBondContact O-N 3.2Å; A453-A457 PolarHBondContact O-N 3.38Å
454I97.8Very high96.9Very high29 Ų2927.3 Ų27.315%0.14916%0.161CC..Hα-helixtrans-62.8-47.2173.5-65.3172.1000110.1L56 F411 L415 F442 G450 A451 A456 A457 L458L56-I454 HydrophobicContact CD2-CD1 4.29Å; L56-I454 HydrophobicContact CD2-CG1 3.85Å; L56-I454 HydrophobicContact CD2-CG2 4.42Å; F411-I454 HydrophobicContact CE1-CG2 3.93Å; L415-I454 HydrophobicContact CD1-CB 4.09Å; L415-I454 HydrophobicContact CD1-CG2 3.64Å; F442-I454 HydrophobicContact CE1-CD1 3.84Å; F442-I454 HydrophobicContact CZ-CD1 3.74Å; G450-I454 WeakPolarHBondContact O-CG1 3.13Å; G450-I454 PolarHBondContact O-N 3.09Å; A451-I454 PolarHBondContact O-N 3.15Å; I454-A456 VanDerWaalsContact C-N 3.31Å; I454-A456 PolarHBondContact O-N 3.35Å; I454-A457 PolarHBondContact O-N 3.08Å; I454-L458 HydrophobicContact CG2-CD1 3.79Å; I454-L458 HydrophobicContact CG2-CG 4.35Å; I454-L458 WeakPolarHBondContact O-CG 3.35Å; I454-L458 PolarHBondContact O-N 3.25Å
455C97.4Very high97Very high26 Ų2626.2 Ų26.218%0.17616%0.155CC..Hα-helixtrans-59.5-40.9177.2-66.60000112.2T412 A451 P452 L458 T459T412-C455 HydrophobicContact CG2-CB 4.22Å; A451-C455 PolarHBondContact O-N 2.83Å; A451-C455 PolarHBondContact O-SG 3.11Å; A451-C455 VanDerWaalsContact O-SG 3.32Å; P452-C455 PolarHBondContact O-N 3.01Å; C455-L458 PolarHBondContact O-N 3.19Å; C455-T459 WeakPolarHBondContact O-CB 3.22Å; C455-T459 PolarHBondContact O-N 2.92Å; C455-T459 PolarHBondContact O-OG1 2.98Å
456A97.4Very high97.1Very high11 Ų1125.5 Ų25.59%0.09115%0.153CC..Hα-helixtrans-60.2-49175.400000112.3F367 C371 P452 A453 I454 L458 T459 A460F367-A456 HydrophobicContact CD1-CB 3.92Å; F367-A456 HydrophobicContact CE1-CB 4.06Å; C371-A456 HydrophobicContact CB-CB 4.46Å; P452-A456 WeakPolarHBondContact O-CB 3.47Å; P452-A456 PolarHBondContact O-N 3.49Å; A453-A456 PolarHBondContact O-N 3.2Å; I454-A456 VanDerWaalsContact C-N 3.31Å; I454-A456 PolarHBondContact O-N 3.35Å; A456-L458 VanDerWaalsContact C-N 3.35Å; A456-L458 PolarHBondContact O-N 2.93Å; A456-T459 WeakPolarHBondContact O-CB 3.35Å; A456-T459 PolarHBondContact O-N 3.25Å; A456-T459 VanDerWaalsContact O-N 3.17Å; A456-A460 PolarHBondContact O-N 3.31Å
457A97.4Very high97.1Very high32 Ų3227.4 Ų27.426%0.26416%0.162SC..Hα-helixtrans-62.5-41.5178.200000112.2A453 I454 T459 A460 L461A453-A457 PolarHBondContact O-N 3.38Å; I454-A457 PolarHBondContact O-N 3.08Å; A457-T459 VanDerWaalsContact C-N 3.31Å; A457-T459 PolarHBondContact O-N 2.83Å; A457-A460 PolarHBondContact O-N 3.03Å; A457-L461 PolarHBondContact O-N 3.18Å
458L97.5Very high97.2Very high15 Ų1527.3 Ų27.38%0.07916%0.161CC..Hα-helixtrans-67.7-31.4175.7-70.1171.8000112.4C408 F411 I454 C455 A456 L461 Q462C408-L458 HydrophobicContact CB-CD2 4.45Å; F411-L458 HydrophobicContact CD1-CD1 3.54Å; F411-L458 HydrophobicContact CE1-CD1 4.04Å; I454-L458 HydrophobicContact CG2-CD1 3.79Å; I454-L458 HydrophobicContact CG2-CG 4.35Å; I454-L458 WeakPolarHBondContact O-CG 3.35Å; I454-L458 PolarHBondContact O-N 3.25Å; C455-L458 PolarHBondContact O-N 3.19Å; A456-L458 VanDerWaalsContact C-N 3.35Å; A456-L458 PolarHBondContact O-N 2.93Å; L458-L461 HydrophobicContact CD2-CD2 4.4Å; L458-L461 PolarHBondContact O-N 2.98Å; L458-Q462 WeakPolarHBondContact O-CB 3.2Å; L458-Q462 VanDerWaalsContact O-CG 3.25Å; L458-Q462 WeakPolarHBondContact O-CG 3.34Å; L458-Q462 PolarHBondContact O-N 3.42Å; L458-Q462 PolarHBondContact O-NE2 3.46Å
459T96Very high97.2Very high56 Ų5627.5 Ų27.534%0.34416%0.16SC..Hα-helixtrans-66.9-45174.1-59.10000110.6C455 A456 A457 L461 Q462 N463C455-T459 WeakPolarHBondContact O-CB 3.22Å; C455-T459 PolarHBondContact O-N 2.92Å; C455-T459 PolarHBondContact O-OG1 2.98Å; A456-T459 WeakPolarHBondContact O-CB 3.35Å; A456-T459 PolarHBondContact O-N 3.25Å; A456-T459 VanDerWaalsContact O-N 3.17Å; A457-T459 VanDerWaalsContact C-N 3.31Å; A457-T459 PolarHBondContact O-N 2.83Å; T459-L461 VanDerWaalsContact C-N 3.3Å; T459-L461 PolarHBondContact O-N 2.65Å; T459-Q462 PolarHBondContact O-N 2.88Å; T459-Q462 VanDerWaalsContact O-N 3.16Å; T459-N463 VanDerWaalsContact O-CG 3.32Å; T459-N463 PolarHBondContact O-N 3.19Å
460A97.6Very high97.1Very high7 Ų730.8 Ų30.86%0.05817%0.174CC..Hα-helixtrans-58.6-41.8173.100000112.1C371 F375 A456 A457 N463 Y464C371-A460 HydrophobicContact CB-CB 4.2Å; F375-A460 HydrophobicContact CB-CB 4.38Å; F375-A460 HydrophobicContact CD1-CB 3.85Å; F375-A460 HydrophobicContact CE1-CB 4.32Å; F375-A460 HydrophobicContact CG-CB 4.07Å; A456-A460 PolarHBondContact O-N 3.31Å; A457-A460 PolarHBondContact O-N 3.03Å; A460-N463 PolarHBondContact O-N 3.29Å; A460-Y464 PolarHBondContact O-N 3.14Å
461L97.9Very high96.9Very high52 Ų5231.4 Ų31.427%0.27218%0.181SC..Hα-helixtrans-63.2-44.5173.817962.5000112.1A457 L458 T459 N463 Y464 L465A457-L461 PolarHBondContact O-N 3.18Å; L458-L461 HydrophobicContact CD2-CD2 4.4Å; L458-L461 PolarHBondContact O-N 2.98Å; T459-L461 VanDerWaalsContact C-N 3.3Å; T459-L461 PolarHBondContact O-N 2.65Å; L461-N463 VanDerWaalsContact C-N 3.29Å; L461-N463 PolarHBondContact O-N 2.93Å; L461-Y464 HydrophobicContact CD1-CD1 3.93Å; L461-Y464 WeakPolarHBondContact O-CB 3.43Å; L461-Y464 PolarHBondContact O-N 3.14Å; L461-L465 HydrophobicContact CD1-CG 4.46Å; L461-L465 HydrophobicContact CG-CD1 4.2Å; L461-L465 HydrophobicContact CG-CG 4.5Å; L461-L465 WeakPolarHBondContact O-CG 3.45Å; L461-L465 PolarHBondContact O-N 2.87Å
462Q97.1Very high96.6Very high29 Ų2931 Ų3114%0.13618%0.178CC..Hα-helixtrans-63-35.5177-77.2178.487.600112.4C408 L458 T459 L465 T466C408-Q462 HydrophobicContact CB-CG 3.77Å; L458-Q462 WeakPolarHBondContact O-CB 3.2Å; L458-Q462 VanDerWaalsContact O-CG 3.25Å; L458-Q462 WeakPolarHBondContact O-CG 3.34Å; L458-Q462 PolarHBondContact O-N 3.42Å; L458-Q462 PolarHBondContact O-NE2 3.46Å; T459-Q462 PolarHBondContact O-N 2.88Å; T459-Q462 VanDerWaalsContact O-N 3.16Å; Q462-L465 PolarHBondContact O-N 3.43Å; Q462-T466 WeakPolarHBondContact O-CB 3.37Å; Q462-T466 PolarHBondContact O-N 3.3Å; Q462-T466 PolarHBondContact O-OG1 2.87Å
463N97.8Very high96.3Very high63 Ų6331 Ų3134%0.33717%0.174SC..Hα-helixtrans-64.4-46.2173.3-71.2-12.5000110.7A377 T459 A460 L461 L465 T466 E467A377-N463 HydrophobicContact CB-CB 4.15Å; T459-N463 VanDerWaalsContact O-CG 3.32Å; T459-N463 PolarHBondContact O-N 3.19Å; A460-N463 PolarHBondContact O-N 3.29Å; L461-N463 VanDerWaalsContact C-N 3.29Å; L461-N463 PolarHBondContact O-N 2.93Å; N463-L465 PolarHBondContact O-N 2.95Å; N463-T466 WeakPolarHBondContact O-CB 3.45Å; N463-T466 PolarHBondContact O-N 3.12Å; N463-E467 PolarHBondContact O-N 3Å
464Y98.1Very high95.8Very high26 Ų2637.4 Ų37.410%0.10220%0.2CC..Hα-helixtrans-56.5-48.8171.6156.1-95.3000112.2V380 L384 A460 L461 T466 E467 A468V380-Y464 HydrophobicContact CB-CD2 4.27Å; V380-Y464 HydrophobicContact CG1-CD2 3.88Å; V380-Y464 HydrophobicContact CG1-CE2 3.9Å; L384-Y464 HydrophobicContact CD1-CE2 3.84Å; L384-Y464 VanDerWaalsContact CD1-OH 3.27Å; L384-Y464 WeakPolarHBondContact CD1-OH 3.47Å; A460-Y464 PolarHBondContact O-N 3.14Å; L461-Y464 HydrophobicContact CD1-CD1 3.93Å; L461-Y464 WeakPolarHBondContact O-CB 3.43Å; L461-Y464 PolarHBondContact O-N 3.14Å; Y464-T466 PolarHBondContact O-N 3.1Å; Y464-E467 PolarHBondContact O-N 3.48Å; Y464-A468 WeakPolarHBondContact O-CB 3.36Å; Y464-A468 PolarHBondContact O-N 3.23Å
465L97.8Very high95.2Very high6 Ų638.4 Ų38.43%0.03120%0.204CC..Hα-helixtrans-61.1-35.9179.8-68.8170.3000111.4L401 T404 K405 L461 Q462 N463 A468 L469L401-L465 HydrophobicContact CD2-CD2 3.62Å; T404-L465 HydrophobicContact CG2-CD1 3.93Å; T404-L465 HydrophobicContact CG2-CD2 4.38Å; K405-L465 HydrophobicContact CB-CB 4.31Å; K405-L465 HydrophobicContact CB-CD1 3.92Å; L461-L465 HydrophobicContact CD1-CG 4.46Å; L461-L465 HydrophobicContact CG-CD1 4.2Å; L461-L465 HydrophobicContact CG-CG 4.5Å; L461-L465 WeakPolarHBondContact O-CG 3.45Å; L461-L465 PolarHBondContact O-N 2.87Å; Q462-L465 PolarHBondContact O-N 3.43Å; N463-L465 PolarHBondContact O-N 2.95Å; L465-A468 PolarHBondContact O-N 3.25Å; L465-L469 WeakPolarHBondContact O-CB 3.37Å; L465-L469 VanDerWaalsContact O-CG 3.25Å; L465-L469 WeakPolarHBondContact O-CG 3.37Å; L465-L469 PolarHBondContact O-N 3.44Å
466T97.8Very high94.5Very high37 Ų3740.2 Ų40.223%0.22721%0.21CC..Hα-helixtrans-66.9-45.2176.2-59.20000111.6K405 Q462 N463 Y464 A468 L469 K470K405-T466 PolarHBondContact NZ-OG1 3.38Å; Q462-T466 WeakPolarHBondContact O-CB 3.37Å; Q462-T466 PolarHBondContact O-N 3.3Å; Q462-T466 PolarHBondContact O-OG1 2.87Å; N463-T466 WeakPolarHBondContact O-CB 3.45Å; N463-T466 PolarHBondContact O-N 3.12Å; Y464-T466 PolarHBondContact O-N 3.1Å; T466-A468 VanDerWaalsContact C-N 3.35Å; T466-L469 PolarHBondContact O-N 3.43Å; T466-K470 WeakPolarHBondContact O-CG 3.39Å; T466-K470 PolarHBondContact O-N 3.14Å; T466-K470 VanDerWaalsContact O-N 3.09Å
467E97.6Very high93.6Very high48 Ų4845.5 Ų45.522%0.22424%0.235CC..Hα-helixtrans-65.5-38174.4-66.9-57.4131.600112.1K378 S381 N463 Y464 L469 K470 G471K378-E467 HydrophobicContact CB-CG 4.19Å; S381-E467 VanDerWaalsContact OG-CB 3.25Å; S381-E467 WeakPolarHBondContact OG-CB 3.43Å; N463-E467 PolarHBondContact O-N 3Å; Y464-E467 PolarHBondContact O-N 3.48Å; E467-L469 PolarHBondContact O-N 3.17Å; E467-K470 WeakPolarHBondContact O-CB 3.18Å; E467-K470 PolarHBondContact O-N 3.46Å; E467-K470 IonicContact OE1-NZ 2.66Å; E467-K470 PolarHBondContact OE1-NZ 3.43Å; E467-G471 PolarHBondContact O-N 3.09Å
468A96.7Very high92.6Very high0 Ų049.3 Ų49.30%025%0.251CS..Hα-helixtrans-60.7-44.9175.300000111.4N385 L401 Y464 L465 T466 G471 M472N385-A468 PolarHBondContact ND2-O 3.24Å; L401-A468 HydrophobicContact CD1-CB 4.05Å; L401-A468 HydrophobicContact CD2-CB 4.25Å; Y464-A468 WeakPolarHBondContact O-CB 3.36Å; Y464-A468 PolarHBondContact O-N 3.23Å; L465-A468 PolarHBondContact O-N 3.25Å; T466-A468 VanDerWaalsContact C-N 3.35Å; A468-G471 PolarHBondContact O-N 3.38Å; A468-G471 VanDerWaalsContact O-N 3.16Å; A468-M472 WeakPolarHBondContact O-CG 3.5Å; A468-M472 PolarHBondContact O-N 3.29Å
469L96.2Very high91.1Very high15 Ų1552 Ų528%0.07927%0.266CS..Hα-helixtrans-61.9-43175.7-73.7166000112.3K398 L401 L402 K405 L465 T466 E467 G471 M472 D473K398-L469 HydrophobicContact CG-CD2 3.95Å; L401-L469 HydrophobicContact CB-CD2 3.74Å; L401-L469 HydrophobicContact CB-CG 4.09Å; L401-L469 HydrophobicContact CD1-CD2 4.19Å; L401-L469 HydrophobicContact CD1-CG 4.46Å; L402-L469 HydrophobicContact CD2-CD1 3.72Å; L402-L469 HydrophobicContact CD2-CD2 4.08Å; L402-L469 HydrophobicContact CG-CD1 4.36Å; L402-L469 HydrophobicContact CG-CD2 3.93Å; K405-L469 HydrophobicContact CD-CD1 4.26Å; L465-L469 WeakPolarHBondContact O-CB 3.37Å; L465-L469 VanDerWaalsContact O-CG 3.25Å; L465-L469 WeakPolarHBondContact O-CG 3.37Å; L465-L469 PolarHBondContact O-N 3.44Å; T466-L469 PolarHBondContact O-N 3.43Å; E467-L469 PolarHBondContact O-N 3.17Å; L469-G471 PolarHBondContact O-N 3.32Å; L469-M472 WeakPolarHBondContact O-CB 3.39Å; L469-M472 PolarHBondContact O-N 3.5Å; L469-M472 VanDerWaalsContact O-N 3.13Å; L469-D473 PolarHBondContact O-N 3.44Å
470K95.4Very high89.5Confident105 Ų10553.9 Ų53.946%0.45728%0.277SS..Hα-helixtrans-58.1-39.3173.5-69.2172.7-175172.10111.7T466 E467 K474T466-K470 WeakPolarHBondContact O-CG 3.39Å; T466-K470 PolarHBondContact O-N 3.14Å; T466-K470 VanDerWaalsContact O-N 3.09Å; E467-K470 WeakPolarHBondContact O-CB 3.18Å; E467-K470 PolarHBondContact O-N 3.46Å; E467-K470 IonicContact OE1-NZ 2.66Å; E467-K470 PolarHBondContact OE1-NZ 3.43Å; K470-K474 WeakPolarHBondContact O-CG 3.32Å; K470-K474 PolarHBondContact O-N 3.2Å
471G92.3Very high87.7Confident19 Ų1957.5 Ų57.520%0.19630%0.299CS..Hα-helixtrans-65.4-42.5174.800000112.8E467 A468 L469 D473 K474 M475E467-G471 PolarHBondContact O-N 3.09Å; A468-G471 PolarHBondContact O-N 3.38Å; A468-G471 VanDerWaalsContact O-N 3.16Å; L469-G471 PolarHBondContact O-N 3.32Å; G471-D473 PolarHBondContact O-N 3.32Å; G471-K474 PolarHBondContact O-N 2.95Å; G471-M475 WeakPolarHBondContact O-CG 3.48Å; G471-M475 PolarHBondContact O-N 3.2Å
472M89.9Confident85.7Confident0 Ų058.5 Ų58.50%031%0.31CS..Hα-helixtrans-60.7-44.4176.2-67.2-61.8-61.200111.7L394 R397 L401 A468 L469 K474 M475 F476L394-M472 HydrophobicContact CB-CE 3.84Å; L394-M472 HydrophobicContact CD2-CE 3.6Å; L394-M472 HydrophobicContact CD2-SD 4.49Å; L394-M472 HydrophobicContact CG-CE 4.28Å; L394-M472 VanDerWaalsContact O-CE 3.22Å; L394-M472 WeakPolarHBondContact O-CE 3.36Å; R397-M472 HydrophobicContact CB-CE 4.02Å; R397-M472 HydrophobicContact CG-CE 4.05Å; R397-M472 HydrophobicContact CG-SD 4.17Å; L401-M472 HydrophobicContact CD1-CG 3.88Å; A468-M472 WeakPolarHBondContact O-CG 3.5Å; A468-M472 PolarHBondContact O-N 3.29Å; L469-M472 WeakPolarHBondContact O-CB 3.39Å; L469-M472 PolarHBondContact O-N 3.5Å; L469-M472 VanDerWaalsContact O-N 3.13Å; M472-K474 VanDerWaalsContact C-N 3.3Å; M472-K474 PolarHBondContact O-N 2.95Å; M472-M475 WeakPolarHBondContact O-CB 3.48Å; M472-M475 PolarHBondContact O-N 2.91Å; M472-F476 HydrophobicContact CE-CE2 4.29Å; M472-F476 WeakPolarHBondContact O-CD2 3.38Å; M472-F476 PolarHBondContact O-N 3.24Å
473D89.3Confident83.5Confident65 Ų6562.9 Ų62.935%0.34834%0.335SS..Hα-helixtrans-58.9-42179.2-69.9-29.1000111.6K398 L469 G471 M475 F476 L477K398-D473 IonicContact NZ-OD1 2.58Å; K398-D473 PolarHBondContact NZ-OD1 3.28Å; L469-D473 PolarHBondContact O-N 3.44Å; G471-D473 PolarHBondContact O-N 3.32Å; D473-M475 VanDerWaalsContact C-N 3.3Å; D473-M475 PolarHBondContact O-N 3.25Å; D473-F476 PolarHBondContact O-N 3.05Å; D473-L477 WeakPolarHBondContact O-CD1 3.15Å; D473-L477 PolarHBondContact O-N 3.21Å
474K87.8Confident81.3Confident145 Ų14570.2 Ų70.263%0.6336%0.358SS*.Hα-helixtrans-59.9-38.9174.2-68174.9-177.5179.30112.5K470 G471 M472 L477 N478K470-K474 WeakPolarHBondContact O-CG 3.32Å; K470-K474 PolarHBondContact O-N 3.2Å; G471-K474 PolarHBondContact O-N 2.95Å; M472-K474 VanDerWaalsContact C-N 3.3Å; M472-K474 PolarHBondContact O-N 2.95Å; K474-L477 PolarHBondContact O-N 3.05Å; K474-N478 WeakPolarHBondContact O-CB 3.48Å; K474-N478 PolarHBondContact O-N 3.06Å
475M84.9Confident78.9Confident49 Ų4977.5 Ų77.524%0.24139%0.392CS..Hα-helixtrans-68-38.2178.4-64176.470.700112H388 T389 L394 G471 M472 D473 N478 N479H388-M475 WeakPolarHBondContact O-CE 3.46Å; T389-M475 HydrophobicContact CG2-CE 4.21Å; L394-M475 HydrophobicContact CD1-CB 4.34Å; L394-M475 HydrophobicContact CD2-CE 4.01Å; G471-M475 WeakPolarHBondContact O-CG 3.48Å; G471-M475 PolarHBondContact O-N 3.2Å; M472-M475 WeakPolarHBondContact O-CB 3.48Å; M472-M475 PolarHBondContact O-N 2.91Å; D473-M475 VanDerWaalsContact C-N 3.3Å; D473-M475 PolarHBondContact O-N 3.25Å; M475-N478 PolarHBondContact O-N 3.11Å; M475-N479 WeakPolarHBondContact O-CB 2.63Å; M475-N479 PolarHBondContact O-N 2.94Å
476F81.3Confident76.4Confident65 Ų6582.2 Ų82.229%0.28542%0.422SS..Hα-helixtrans-62.7-46.1173.8-81.7-73.5000112.5L394 H395 K398 M472 D473 N479 T480L394-F476 HydrophobicContact CB-CE1 3.96Å; L394-F476 HydrophobicContact CB-CE2 4.01Å; L394-F476 HydrophobicContact CB-CZ 3.5Å; H395-F476 HydrophobicContact CB-CZ 4.36Å; K398-F476 HydrophobicContact CB-CE2 4.37Å; K398-F476 HydrophobicContact CD-CE2 3.94Å; M472-F476 HydrophobicContact CE-CE2 4.29Å; M472-F476 WeakPolarHBondContact O-CD2 3.38Å; M472-F476 PolarHBondContact O-N 3.24Å; D473-F476 PolarHBondContact O-N 3.05Å; F476-N479 PolarHBondContact O-N 3.31Å; F476-T480 PolarHBondContact O-N 2.85Å; F476-T480 PolarHBondContact O-OG1 3.12Å
477L79.9Confident73.8Confident121 Ų12185.9 Ų85.963%0.63445%0.449SS*.Hα-helixtrans-59.9-45.6175.7-85.1139.9000111.2D473 K474 N479 T480 T481D473-L477 WeakPolarHBondContact O-CD1 3.15Å; D473-L477 PolarHBondContact O-N 3.21Å; K474-L477 PolarHBondContact O-N 3.05Å; L477-N479 VanDerWaalsContact C-N 3.35Å; L477-N479 PolarHBondContact O-N 2.62Å; L477-T480 PolarHBondContact O-N 3.42Å; L477-T480 PolarHBondContact O-OG1 2.96Å; L477-T480 VanDerWaalsContact O-OG1 3.08Å; L477-T481 PolarHBondContact O-N 3.42Å; L477-T481 PolarHBondContact O-OG1 3.37Å
478N76.1Confident71.4Confident112 Ų11286.7 Ų86.760%0.59947%0.47SS*.Hα-helixtrans-66-37.7-177.9-147.550.9000112.3K474 M475 T481 S482K474-N478 WeakPolarHBondContact O-CB 3.48Å; K474-N478 PolarHBondContact O-N 3.06Å; M475-N478 PolarHBondContact O-N 3.11Å; N478-T481 PolarHBondContact O-N 3.06Å; N478-T481 PolarHBondContact O-OG1 3.32Å; N478-S482 PolarHBondContact O-N 3.14Å; N478-S482 PolarHBondContact O-OG 3.17Å
479N66.1Low68.6Low72 Ų7296.3 Ų96.339%0.38552%0.515SS..Hα-helixtrans-71.6-30.7-179.9-153.517.5000112.9P391 M475 F476 L477 N483P391-N479 WeakPolarHBondContact CB-ND2 3.43Å; P391-N479 WeakPolarHBondContact CG-ND2 3.02Å; M475-N479 WeakPolarHBondContact O-CB 2.63Å; M475-N479 PolarHBondContact O-N 2.94Å; F476-N479 PolarHBondContact O-N 3.31Å; L477-N479 VanDerWaalsContact C-N 3.35Å; L477-N479 PolarHBondContact O-N 2.62Å; N479-N483 PolarHBondContact O-N 3.41Å
480T61.5Low65.6Low95 Ų9598.8 Ų98.858%0.58354%0.544SS*.Hα-helixtrans-72.5-31.7175.4180000112.8F476 L477F476-T480 PolarHBondContact O-N 2.85Å; F476-T480 PolarHBondContact O-OG1 3.12Å; L477-T480 PolarHBondContact O-N 3.42Å; L477-T480 PolarHBondContact O-OG1 2.96Å; L477-T480 VanDerWaalsContact O-OG1 3.08Å
481T60Low63.1Low83 Ų83100.4 Ų100.451%0.50957%0.565SS.*Hα-helixtrans-72.6-40173.120.30000113.3L477 N478 N483 R484L477-T481 PolarHBondContact O-N 3.42Å; L477-T481 PolarHBondContact O-OG1 3.37Å; N478-T481 PolarHBondContact O-N 3.06Å; N478-T481 PolarHBondContact O-OG1 3.32Å; T481-N483 VanDerWaalsContact C-N 3.25Å; T481-N483 PolarHBondContact O-N 3.42Å; T481-R484 PolarHBondContact O-N 2.92Å
482S56.7Low60.4Low73 Ų73103.1 Ų103.151%0.5159%0.593SS.*Hα-helixtrans-63.5-31.9176.9-65.50000112.6N478 R484N478-S482 PolarHBondContact O-N 3.14Å; N478-S482 PolarHBondContact O-OG 3.17Å; S482-R484 VanDerWaalsContact C-N 3.27Å; S482-R484 PolarHBondContact O-N 3.33Å
483N51.4Low58Low122 Ų122108.6 Ų108.665%0.65263%0.631SS**THydrogen-bonded Turntrans-79.6-5.1179.2-140.830.8000114N479 T481N479-N483 PolarHBondContact O-N 3.41Å; T481-N483 VanDerWaalsContact C-N 3.25Å; T481-N483 PolarHBondContact O-N 3.42Å
484R50.4Low55.4Low217 Ų217115.2 Ų115.282%0.81966%0.657SS**THydrogen-bonded Turntrans-91.2-12.7175.3-86-174.3162.5-171.2-4.2114.1T481 S482T481-R484 PolarHBondContact O-N 2.92Å; S482-R484 VanDerWaalsContact C-N 3.27Å; S482-R484 PolarHBondContact O-N 3.33Å
485H47.4Very low52.8Low178 Ų178115.3 Ų115.382%0.82467%0.67SS**SBendtrans-94.85179.9-92.6-74.2000114.9
486T46.2Very low50.3Low106 Ų106116.7 Ų116.765%0.6570%0.696SS**SBendtrans-113.17.9-178.462.40000114.8
487S43.6Very low48.4Very low114 Ų114121.3 Ų121.380%0.79772%0.724SS**SBendtrans-109.979.9174.4-61.30000110.7
488G47Very low46.5Very low65 Ų65125.4 Ų125.467%0.6774%0.737SS**SBendtrans145.283.4168.400000113.2
489E37.1Very low44.8Very low201 Ų201129.1 Ų129.194%0.93975%0.75SS**  trans166100.9131.9-90.7177.7154.200109.6
490G32.4Very low43.4Very low67 Ų67132.9 Ų132.969%0.69177%0.766SS**  trans-84155.2159.600000110.2G492G490-G492 PolarHBondContact O-N 3.45Å
491P44.7Very low42.4Very low140 Ų140136.1 Ų136.191%0.90977%0.772SS**  trans-83.1121.6-160.632.7-32.4000111.8
492G35Very low41.6Very low75 Ų75140.2 Ų140.277%0.77379%0.785SS**  trans-118.698.8169.800000110.3G490 K494G490-G492 PolarHBondContact O-N 3.45Å; G492-K494 PolarHBondContact O-N 2.89Å
493S38.5Very low41Very low115 Ų115147.6 Ų147.680%0.80480%0.801SS**  trans-59129.3167.662.50000110.8
494K34.8Very low40.6Very low205 Ų205153.5 Ų153.589%0.89182%0.821SS**  trans-164.8108.5144.7-108.6166.9-173.3-178.50111.2G492G492-K494 PolarHBondContact O-N 2.89Å
495T33.5Very low40.1Very low147 Ų147150.3 Ų150.390%0.90282%0.821SS**  trans-49.4148.615124.60000111.9
496G32.8Very low39.7Very low77 Ų77148.8 Ų148.879%0.79482%0.821SS**  trans153.9107.7161.500000114.9
497D40.3Very low39.3Very low162 Ų162151.2 Ų151.287%0.86683%0.831SS**  trans-42.1148.8173-68.4-58.7000116.6
498K40.1Very low39.1Very low207 Ų207153.4 Ų153.490%0.983%0.833SS**  trans-167.9108.1133-106.4168.7-174.9-179.10111.8
499E40.5Very low38.6Very low190 Ų190158.9 Ų158.989%0.88884%0.843SS**  trans-53.9139.1144-81.6179.111000109.5
500E37.6Very low38.7Very low152 Ų152156.1 Ų156.171%0.7184%0.836SS**  176.9139.3104.5-145.7-171.9137.500112.2
501K40.3Very low39.1Very low162 Ų162162.5 Ų162.570%0.70485%0.847SS**  trans84.3104.5142.8-103.2-164.6-177.794.60122.2
502H42.6Very low38.7Very low170 Ų170164.2 Ų164.279%0.78784%0.842SS**  66.8117.9114.8-105.4-116.6000121.3
503R43.8Very low39Very low227 Ų227171.7 Ų171.786%0.85785%0.848SS**  177.1146120.2-105.1176.6134.1137.3-7.2106.8
504K43Very low39Very low246 Ų246176.8 Ų176.8100%1.0785%0.852SS**  cis-167.70-9-157.8179179.9-173.70104.9

Retrieved 504 of 504 residues in 127 ms (Link to these results)