A0A060VSP4_ONCMY Loading...

FEV transcription factor, ETS family member

AlphaFold DB (A0A1S3NWT7), UniProt , Accession A0A060VSP4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110501535, Length 219 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
1M32.8Very low37.2Very low245 Ų245155.1 Ų155.1100%1.20782%0.822SS**  096.10-71.1160.317300108.3
2R33.6Very low36.6Very low252 Ų252155.9 Ų155.995%0.95183%0.827SS**  trans-93.5114.7173.4-71.6178.988.8-160.26.8107N4R2-N4 PolarHBondContact O-N 3.28Å
3Q36.1Very low36.7Very low180 Ų180155.6 Ų155.684%0.84182%0.821SS**  trans-74.5113.3176.3-66.7-168.637.400108.7C5Q3-C5 PolarHBondContact O-N 3.46Å
4N38.1Very low37Very low148 Ų148156.8 Ų156.879%0.79181%0.81SS**  trans-82.898.3169.2-177.2-1.5000107.3R2R2-N4 PolarHBondContact O-N 3.28Å
5C36.6Very low36.7Very low109 Ų109157.7 Ų157.774%0.73682%0.816SS**  trans-131.295.4176.2-58.50000108Q3Q3-C5 PolarHBondContact O-N 3.46Å
6G38.8Very low36.2Very low66 Ų66155.4 Ų155.468%0.6882%0.818SS**  trans169.5-9.5175.900000116.5N8G6-N8 PolarHBondContact O-N 3.18Å
7G35.4Very low35.8Very low63 Ų63155 Ų15565%0.64982%0.816SS**THydrogen-bonded Turntrans-77.2-3.2-16600000118.9
8N35.8Very low36.7Very low148 Ų148151.9 Ų151.979%0.79181%0.807SS**THydrogen-bonded Turntrans-118.50.7-165.9-103.1-37.9000117.2G6G6-N8 PolarHBondContact O-N 3.18Å
9L40.8Very low36.5Very low171 Ų171150.7 Ų150.790%0.89581%0.806SS**SBendtrans-102.1-8.3179.3-64.3177.4000114.3
10M43.1Very low36.7Very low140 Ų140151.1 Ų151.169%0.6980%0.803SS**SBendtrans-92.9-13.2-177-81-173.976.300115.1
11F37.7Very low36.5Very low184 Ų184151.9 Ų151.981%0.80781%0.808SS**SBendtrans-94.9-11.4-164.2-131.5-92.8000115.9
12N30.1Very low36.6Very low165 Ų165146.9 Ų146.988%0.88279%0.785SS**SBendtrans-102.215.4-175.3-79.6-27.6000115.3
13M37.8Very low36.8Very low152 Ų152142.3 Ų142.375%0.74978%0.779SS**SBendtrans-108.40.7-176.7-159.5177.7-73.700114.4
14Y41.5Very low36.7Very low172 Ų172143.1 Ų143.168%0.67578%0.779SS**  trans-104.1103.5179.8-99.8-89.7000110.7K40Y14-K40 WeakPolarHBondContact OH-CD 2.98Å
15L32.9Very low36.5Very low170 Ų170144.6 Ų144.689%0.8978%0.781SS**  trans170.6103.1136.1-97.4144.6000110.2
16S28.7Very low37.5Very low122 Ų122144.5 Ų144.585%0.85378%0.782SS**  trans-175.7119.6134.3-76.40000109.8
17D29Very low37.3Very low148 Ų148151.1 Ų151.179%0.79179%0.792SS**  trans-114.6169.6158.9-115-36.3000106.3
18P51.8Low37.3Very low99 Ų99151.5 Ų151.564%0.64380%0.795SS**  cis-130.2165.9-13.336.1-19.3000112
19T32.3Very low37.6Very low130 Ų130148.7 Ų148.780%0.79879%0.793SS**  trans174.8124.413527.80000110.8
20E40.3Very low37.4Very low157 Ų157144.8 Ų144.873%0.73478%0.78SS**  trans38.6124.3146.3-57.8-67.2122.200118.6
21N33.1Very low37.6Very low169 Ų169145 Ų14590%0.90477%0.773SS**  -168126115-95.8-60000113.3
22L34.7Very low37.7Very low139 Ų139139.3 Ų139.373%0.72876%0.756SS**  trans-67.9138.7179.2-176.272.8000113
23L38.1Very low38.2Very low157 Ų157137.7 Ų137.782%0.82276%0.755SS**  trans32.1125.5152-61.8164.2000119.6
24K34.1Very low38.8Very low197 Ų197134.9 Ų134.986%0.85774%0.742SS**  171119106-165.1166-174.6178.40113.6
25E33.7Very low39.2Very low179 Ų179132.4 Ų132.484%0.83674%0.74SS**  trans35.8131.3144.8-155.1155.678.500124.9
26S58.1Low40Very low106 Ų106126.3 Ų126.374%0.74171%0.71SS**  trans-37129161.7164.70000118.5
27K34.7Very low40.8Very low206 Ų206123.2 Ų123.290%0.89670%0.698SS**  trans-157.6134.1131.1-77.5-152.2179.5175.10111.7
28G34.3Very low41.8Very low70 Ų70119.6 Ų119.672%0.72268%0.681SS**  trans86.9116.2163.900000115S30G28-S30 PolarHBondContact O-N 2.94Å
29A43.8Very low41.7Very low89 Ų89121 Ų12174%0.73668%0.679SS**  trans-71.865.7165.200000109.8W31A29-W31 PolarHBondContact O-N 2.76Å
30S36Very low42.4Very low90 Ų90122.1 Ų122.163%0.62967%0.673SS**  trans-75.7112.4158.7-175.50000106.1G28 S32G28-S30 PolarHBondContact O-N 2.94Å; S30-S32 PolarHBondContact O-N 3.23Å; S30-S32 PolarHBondContact OG-OG 3Å
31W46.4Very low43.1Very low143 Ų143117.3 Ų117.354%0.54267%0.665SS.*  trans-71.767.6165.6-68.290000108A29 A102A29-W31 PolarHBondContact O-N 2.76Å; W31-A102 HydrophobicContact CH2-CB 3.74Å; W31-A102 HydrophobicContact CZ2-CB 3.65Å
32S39.5Very low44.5Very low65 Ų65111.2 Ų111.246%0.45564%0.636SS.*  trans-72141.1172.6-59.80000108.6S30 I34S30-S32 PolarHBondContact O-N 3.23Å; S30-S32 PolarHBondContact OG-OG 3Å; S32-I34 PolarHBondContact O-N 2.95Å; S32-I34 VanDerWaalsContact O-N 3.07Å
33P40.5Very low46.2Very low131 Ų131106.7 Ų106.785%0.85162%0.623SS**  trans-70.3105.9172.228.7-28.5000107.1
34I50.9Low48.5Very low93 Ų93104.8 Ų104.848%0.47761%0.61SS.*  trans-112.5124.4176.5-58174.8000110.4S32S32-I34 PolarHBondContact O-N 2.95Å; S32-I34 VanDerWaalsContact O-N 3.07Å
35N49.5Very low51.2Low120 Ų12096 Ų9664%0.64257%0.572SS**  trans-1.5119.4161.3-15820.9000116.4G37N35-G37 PolarHBondContact O-N 3.22Å
36T49.5Very low54.1Low42 Ų4289.4 Ų89.426%0.25854%0.541SS..  trans-79.346.5-178.9430000113.3V38 V132T36-V38 PolarHBondContact O-N 3.27Å; T36-V132 WeakPolarHBondContact CG2-O 3.33Å
37G46.3Very low55.9Low58 Ų5884.4 Ų84.460%0.59851%0.506SS*.  trans-87.791.2162.900000109.6N35 Q39N35-G37 PolarHBondContact O-N 3.22Å; G37-Q39 PolarHBondContact O-N 3.46Å
38V51.2Low58.8Low71 Ų7175.1 Ų75.143%0.4347%0.465SS..  trans-80.896.4-171.8-176.70000110.8T36T36-V38 PolarHBondContact O-N 3.27Å
39Q49.6Very low61.7Low129 Ų12972.9 Ų72.960%0.60344%0.436SS*.  trans-81.5118.3165.1-59.3-66.35000109.7G37 G41 S42G37-Q39 PolarHBondContact O-N 3.46Å; Q39-G41 PolarHBondContact O-N 3.1Å; Q39-G41 VanDerWaalsContact O-N 3.13Å; Q39-S42 PolarHBondContact O-N 2.85Å; Q39-S42 VanDerWaalsContact O-N 3.08Å
40K46.6Very low64.3Low153 Ų15368.7 Ų68.767%0.66540%0.401SS*.THydrogen-bonded Turntrans-61.6114177.5-150.5-178.7-170.8-174.30108.8Y14Y14-K40 WeakPolarHBondContact OH-CD 2.98Å
41G54.9Low67.2Low56 Ų5664.4 Ų64.458%0.57737%0.371SS*.THydrogen-bonded Turntrans93.61.8-178.300000116.1Q39Q39-G41 PolarHBondContact O-N 3.1Å; Q39-G41 VanDerWaalsContact O-N 3.13Å
42S61.3Low69.6Low41 Ų4159.9 Ų59.929%0.28736%0.358SS..  trans-70136171.71700000111.4Q39 Q44 I45Q39-S42 PolarHBondContact O-N 2.85Å; Q39-S42 VanDerWaalsContact O-N 3.08Å; S42-Q44 PolarHBondContact O-N 3.41Å; S42-Q44 VanDerWaalsContact OG-CB 3.25Å; S42-Q44 WeakPolarHBondContact OG-CB 3.12Å; S42-Q44 PolarHBondContact OG-N 2.94Å; S42-Q44 VanDerWaalsContact OG-N 3.08Å; S42-I45 WeakPolarHBondContact O-CG2 3.12Å; S42-I45 PolarHBondContact O-N 3.01Å; S42-I45 VanDerWaalsContact O-N 3.15Å
43G70.3Confident72.2Confident44 Ų4459.4 Ų59.445%0.45435%0.348SS..THydrogen-bonded Turntrans-60.2-5.4170.400000113.7K89G43-K89 WeakPolarHBondContact O-CD 3.35Å; G43-K89 WeakPolarHBondContact O-CE 3.47Å; G43-K89 PolarHBondContact O-NZ 3.39Å
44Q86.4Confident74.9Confident117 Ų11753.6 Ų53.655%0.54731%0.31SS..THydrogen-bonded Turntrans-86.30.4175.9-164.9167.4-9.500114.2S42S42-Q44 PolarHBondContact O-N 3.41Å; S42-Q44 VanDerWaalsContact OG-CB 3.25Å; S42-Q44 WeakPolarHBondContact OG-CB 3.12Å; S42-Q44 PolarHBondContact OG-N 2.94Å; S42-Q44 VanDerWaalsContact OG-N 3.08Å
45I91.6Very high77.1Confident12 Ų1249.7 Ų49.76%0.06229%0.29CS..  trans-59.4143.7176.3-169169000112.2S42 Q49 F50 E53 W85 R88 K89S42-I45 WeakPolarHBondContact O-CG2 3.12Å; S42-I45 PolarHBondContact O-N 3.01Å; S42-I45 VanDerWaalsContact O-N 3.15Å; I45-Q49 HydrophobicContact CD1-CB 4.04Å; I45-Q49 HydrophobicContact CG1-CB 3.69Å; I45-F50 HydrophobicContact CD1-CB 3.99Å; I45-F50 HydrophobicContact CG1-CB 4.28Å; I45-E53 WeakPolarHBondContact CD1-OE2 3.37Å; I45-W85 HydrophobicContact CG2-CZ3 4.01Å; I45-W85 WeakPolarHBondContact O-CH2 3.48Å; I45-R88 HydrophobicContact CG2-CG 3.48Å; I45-R88 VanDerWaalsContact CG2-CG 3.48Å; I45-K89 PolarHBondContact O-NZ 2.93Å
46Q94.2Very high79.2Confident42 Ų4247.6 Ų47.620%0.19628%0.284CS..  trans-87.4155.7173.1-62.8179.15700111.2W48 Q49 F50Q46-W48 VanDerWaalsContact C-N 3.34Å; Q46-W48 PolarHBondContact O-N 2.85Å; Q46-Q49 HydrophobicContact CB-CG 4.34Å; Q46-Q49 WeakPolarHBondContact O-CB 3.14Å; Q46-Q49 PolarHBondContact O-N 3.01Å; Q46-Q49 VanDerWaalsContact O-N 3.16Å; Q46-F50 PolarHBondContact O-N 3.09Å
47L96.3Very high81.3Confident0 Ų049.4 Ų49.40%029%0.293CS..Hα-helixtrans-60.3-42.3-176.8176.861.2000112.2Q49 F50 L51 W85 L99 A102 L103 Y106L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 2.9Å; L47-F50 HydrophobicContact CD1-CD1 4.14Å; L47-F50 PolarHBondContact O-N 2.91Å; L47-L51 HydrophobicContact CD1-CD1 4.35Å; L47-L51 HydrophobicContact CD1-CD2 4.39Å; L47-L51 HydrophobicContact CD1-CG 4.09Å; L47-L51 HydrophobicContact CG-CD1 4.29Å; L47-L51 HydrophobicContact CG-CG 4.44Å; L47-L51 VanDerWaalsContact O-CG 3.32Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 2.89Å; L47-W85 HydrophobicContact CB-CH2 4.05Å; L47-W85 HydrophobicContact CB-CZ2 3.87Å; L47-W85 HydrophobicContact CD1-CD2 3.84Å; L47-W85 HydrophobicContact CD1-CE3 4.19Å; L47-W85 HydrophobicContact CD1-CG 4.09Å; L47-W85 HydrophobicContact CD1-CZ2 4.35Å; L47-L99 HydrophobicContact CD1-CD1 4.13Å; L47-L99 HydrophobicContact CD1-CG 4.16Å; L47-L99 HydrophobicContact CD2-CD2 4.45Å; L47-L99 HydrophobicContact CD2-CG 4.14Å; L47-A102 HydrophobicContact CD2-CB 3.6Å; L47-L103 HydrophobicContact CD2-CD2 3.55Å; L47-L103 HydrophobicContact CD2-CG 4.04Å; L47-L103 HydrophobicContact CG-CD2 4.03Å; L47-Y106 HydrophobicContact CB-CE2 4.08Å; L47-Y106 HydrophobicContact CD2-CE2 4.3Å; L47-Y106 HydrophobicContact CG-CE2 4.3Å; L47-Y106 PolarHBondContact N-OH 2.89Å
48W96.3Very high83.5Confident11 Ų1151 Ų514%0.04229%0.294CS..Hα-helixtrans-61.5-38.7178.571-95.9000112.4Q46 L52 Y106 I111 M112 F124 L129 V132Q46-W48 VanDerWaalsContact C-N 3.34Å; Q46-W48 PolarHBondContact O-N 2.85Å; W48-L52 HydrophobicContact CE3-CD1 3.73Å; W48-L52 HydrophobicContact CZ3-CD1 3.8Å; W48-L52 WeakPolarHBondContact O-CG 3.31Å; W48-L52 PolarHBondContact O-N 3.17Å; W48-L52 VanDerWaalsContact O-N 3.15Å; W48-Y106 HydrophobicContact CB-CE2 3.92Å; W48-Y106 AromaticContact CD1-CZ 3.89Å; W48-Y106 PolarHBondContact N-OH 3.42Å; W48-I111 HydrophobicContact CB-CG2 3.82Å; W48-I111 HydrophobicContact CG-CG2 4.13Å; W48-M112 HydrophobicContact CB-CE 4.18Å; W48-F124 HydrophobicContact CB-CE1 4.19Å; W48-L129 HydrophobicContact CD2-CD2 3.99Å; W48-L129 HydrophobicContact CE3-CD2 3.45Å; W48-L129 VanDerWaalsContact CE3-CD2 3.45Å; W48-L129 HydrophobicContact CZ3-CD2 3.76Å; W48-V132 HydrophobicContact CZ2-CG1 3.71Å
49Q95.5Very high85.5Confident24 Ų2451 Ų5111%0.11230%0.303CS..Hα-helixtrans-67.7-44.7176.4-64.6172.6-47.600111I45 Q46 L47 L51 L52 E53I45-Q49 HydrophobicContact CD1-CB 4.04Å; I45-Q49 HydrophobicContact CG1-CB 3.69Å; Q46-Q49 HydrophobicContact CB-CG 4.34Å; Q46-Q49 WeakPolarHBondContact O-CB 3.14Å; Q46-Q49 PolarHBondContact O-N 3.01Å; Q46-Q49 VanDerWaalsContact O-N 3.16Å; L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 2.9Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 2.9Å; Q49-L52 PolarHBondContact O-N 3.2Å; Q49-E53 PolarHBondContact O-N 3.28Å
50F97.2Very high87.7Confident1 Ų146 Ų460%0.00428%0.279CS..Hα-helixtrans-59.9-41.7177.3168.9-101.6000112.2I45 Q46 L47 E53 L54 V81 R84 W85 R88I45-F50 HydrophobicContact CD1-CB 3.99Å; I45-F50 HydrophobicContact CG1-CB 4.28Å; Q46-F50 PolarHBondContact O-N 3.09Å; L47-F50 HydrophobicContact CD1-CD1 4.14Å; L47-F50 PolarHBondContact O-N 2.91Å; F50-E53 WeakPolarHBondContact O-CB 3.21Å; F50-E53 PolarHBondContact O-N 3.1Å; F50-L54 HydrophobicContact CD1-CD1 4.36Å; F50-L54 HydrophobicContact CE1-CD1 3.61Å; F50-L54 HydrophobicContact CE1-CG 4.24Å; F50-L54 HydrophobicContact CE2-CD1 4.29Å; F50-L54 HydrophobicContact CE2-CD2 4.26Å; F50-L54 HydrophobicContact CE2-CG 4.19Å; F50-L54 HydrophobicContact CZ-CD1 3.57Å; F50-L54 HydrophobicContact CZ-CD2 4.25Å; F50-L54 HydrophobicContact CZ-CG 3.98Å; F50-L54 PolarHBondContact O-N 3.49Å; F50-V81 HydrophobicContact CE1-CG1 4.5Å; F50-R84 HydrophobicContact CZ-CB 3.84Å; F50-W85 HydrophobicContact CB-CE3 3.83Å; F50-W85 HydrophobicContact CB-CZ3 3.58Å; F50-W85 HydrophobicContact CD1-CB 4.29Å; F50-W85 HydrophobicContact CD1-CD2 4.22Å; F50-W85 AromaticContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CE3 3.49Å; F50-W85 VanDerWaalsContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CZ3 4.16Å; F50-W85 HydrophobicContact CD2-CE3 4.04Å; F50-W85 HydrophobicContact CD2-CZ3 4.39Å; F50-W85 HydrophobicContact CE1-CB 3.72Å; F50-W85 HydrophobicContact CE1-CE3 4.01Å; F50-W85 HydrophobicContact CE1-CG 4.45Å; F50-W85 HydrophobicContact CE2-CE3 4.49Å; F50-W85 AromaticContact CG-CE3 3.49Å; F50-W85 HydrophobicContact CG-CE3 3.49Å; F50-W85 VanDerWaalsContact CG-CE3 3.49Å; F50-W85 AromaticContact CG-CZ3 3.79Å; F50-W85 HydrophobicContact CG-CZ3 3.79Å; F50-W85 HydrophobicContact CZ-CB 4.16Å; F50-W85 HydrophobicContact CZ-CE3 4.47Å; F50-R88 HydrophobicContact CD2-CB 4.33Å; F50-R88 HydrophobicContact CD2-CG 4.07Å; F50-R88 HydrophobicContact CE2-CB 4.14Å; F50-R88 HydrophobicContact CE2-CG 4.34Å
51L97.5Very high90Very high0 Ų044.1 Ų44.10%028%0.275CS..Hα-helixtrans-65.4-41.8176.7-68178.1000111.9L47 Q49 E53 L54 L55 I64 F73 L75 V81 L103 M112 F124L47-L51 HydrophobicContact CD1-CD1 4.35Å; L47-L51 HydrophobicContact CD1-CD2 4.39Å; L47-L51 HydrophobicContact CD1-CG 4.09Å; L47-L51 HydrophobicContact CG-CD1 4.29Å; L47-L51 HydrophobicContact CG-CG 4.44Å; L47-L51 VanDerWaalsContact O-CG 3.32Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 2.89Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 2.9Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.15Å; L51-L54 PolarHBondContact O-N 2.99Å; L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.42Å; L51-L55 WeakPolarHBondContact O-CD1 3.37Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 2.97Å; L51-L55 PolarHBondContact O-N 2.97Å; L51-I64 HydrophobicContact CB-CD1 4.46Å; L51-I64 HydrophobicContact CD2-CD1 3.8Å; L51-F73 HydrophobicContact CD1-CE2 4.26Å; L51-F73 HydrophobicContact CD1-CZ 4.07Å; L51-L75 HydrophobicContact CD2-CD2 4.39Å; L51-V81 HydrophobicContact CD2-CG1 3.84Å; L51-L103 HydrophobicContact CD1-CD2 3.59Å; L51-M112 HydrophobicContact CD1-CE 4.2Å; L51-F124 HydrophobicContact CB-CZ 4.2Å
52L96Very high91.9Very high48 Ų4844.8 Ų44.825%0.25127%0.27SS..Hα-helixtrans-62.4-38.8173.8-72.7174.7000112.1W48 Q49 L55 S56 W66 F124W48-L52 HydrophobicContact CE3-CD1 3.73Å; W48-L52 HydrophobicContact CZ3-CD1 3.8Å; W48-L52 WeakPolarHBondContact O-CG 3.31Å; W48-L52 PolarHBondContact O-N 3.17Å; W48-L52 VanDerWaalsContact O-N 3.15Å; Q49-L52 PolarHBondContact O-N 3.2Å; L52-L55 CarbonylContact O-C 3.42Å; L52-L55 PolarHBondContact O-N 2.99Å; L52-S56 WeakPolarHBondContact O-CB 3.47Å; L52-S56 PolarHBondContact O-N 3.32Å; L52-W66 HydrophobicContact CD2-CH2 3.78Å; L52-W66 HydrophobicContact CD2-CZ2 4.06Å; L52-F124 HydrophobicContact CD1-CE1 4.49Å; L52-F124 HydrophobicContact CD2-CD2 3.96Å; L52-F124 HydrophobicContact CD2-CE1 4.29Å; L52-F124 HydrophobicContact CD2-CE2 3.55Å; L52-F124 HydrophobicContact CD2-CG 4.5Å; L52-F124 HydrophobicContact CD2-CZ 3.73Å; L52-F124 HydrophobicContact CG-CE1 4.13Å; L52-F124 HydrophobicContact CG-CE2 4.07Å; L52-F124 HydrophobicContact CG-CZ 3.7Å
53E95.6Very high93.6Very high54 Ų5442.8 Ų42.825%0.25226%0.257SS..Hα-helixtrans-60.2-48.9175.3-172.6-171.8128.300110.7I45 Q49 F50 L51 L55 S56 R88I45-E53 WeakPolarHBondContact CD1-OE2 3.37Å; Q49-E53 PolarHBondContact O-N 3.28Å; F50-E53 WeakPolarHBondContact O-CB 3.21Å; F50-E53 PolarHBondContact O-N 3.1Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.15Å; E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 PolarHBondContact O-N 3.48Å; E53-S56 PolarHBondContact O-N 2.87Å; E53-S56 PolarHBondContact O-OG 2.81Å; E53-R88 VanDerWaalsContact CD-NH1 3.31Å; E53-R88 IonicContact OE1-CZ 3.32Å; E53-R88 IonicContact OE1-NH1 2.97Å; E53-R88 PolarHBondContact OE1-NH1 3.18Å; E53-R88 IonicContact OE1-NH2 2.94Å; E53-R88 PolarHBondContact OE1-NH2 3.35Å; E53-R88 IonicContact OE2-CZ 3.96Å; E53-R88 IonicContact OE2-NH1 2.92Å; E53-R88 PolarHBondContact OE2-NH1 3.22Å
54L96.5Very high94.9Very high10 Ų1040.8 Ų40.85%0.05224%0.235CC..Hα-helixtrans-61-43176.4-66.8-176000111.9F50 L51 S56 D57 N60 I64 V81F50-L54 HydrophobicContact CD1-CD1 4.36Å; F50-L54 HydrophobicContact CE1-CD1 3.61Å; F50-L54 HydrophobicContact CE1-CG 4.24Å; F50-L54 HydrophobicContact CE2-CD1 4.29Å; F50-L54 HydrophobicContact CE2-CD2 4.26Å; F50-L54 HydrophobicContact CE2-CG 4.19Å; F50-L54 HydrophobicContact CZ-CD1 3.57Å; F50-L54 HydrophobicContact CZ-CD2 4.25Å; F50-L54 HydrophobicContact CZ-CG 3.98Å; F50-L54 PolarHBondContact O-N 3.49Å; L51-L54 PolarHBondContact O-N 2.99Å; L54-S56 VanDerWaalsContact C-N 3.25Å; L54-S56 PolarHBondContact O-N 3.13Å; L54-D57 PolarHBondContact O-N 3.11Å; L54-N60 WeakPolarHBondContact O-CB 3.37Å; L54-N60 PolarHBondContact O-ND2 2.96Å; L54-I64 HydrophobicContact CB-CG2 3.58Å; L54-I64 HydrophobicContact CD1-CG2 4Å; L54-I64 HydrophobicContact CG-CG2 4.44Å; L54-V81 HydrophobicContact CD1-CG1 4.34Å
55L96.5Very high95.5Very high11 Ų1135.9 Ų35.96%0.05822%0.215CC..Hα-helixtrans-69.7-18.3179.9-79.9167000114L51 L52 E53 D57 I64 A65 W66 F73 F124L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.42Å; L51-L55 WeakPolarHBondContact O-CD1 3.37Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 2.97Å; L51-L55 PolarHBondContact O-N 2.97Å; L52-L55 CarbonylContact O-C 3.42Å; L52-L55 PolarHBondContact O-N 2.99Å; E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 PolarHBondContact O-N 3.48Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-I64 HydrophobicContact CD1-CD1 4.03Å; L55-I64 HydrophobicContact CD1-CG1 4.48Å; L55-I64 HydrophobicContact CD2-CD1 4.14Å; L55-I64 HydrophobicContact CD2-CG1 3.71Å; L55-I64 HydrophobicContact CG-CD1 3.77Å; L55-I64 HydrophobicContact CG-CG1 3.91Å; L55-A65 VanDerWaalsContact CD2-C 3.43Å; L55-W66 HydrophobicContact CB-CD2 4.46Å; L55-W66 HydrophobicContact CB-CH2 4.45Å; L55-W66 HydrophobicContact CB-CZ2 3.62Å; L55-W66 HydrophobicContact CD1-CD2 4.36Å; L55-W66 HydrophobicContact CD1-CE3 4.33Å; L55-W66 HydrophobicContact CD1-CH2 3.71Å; L55-W66 HydrophobicContact CD1-CZ2 3.73Å; L55-W66 HydrophobicContact CD1-CZ3 4.01Å; L55-W66 HydrophobicContact CD2-CD2 3.9Å; L55-W66 HydrophobicContact CD2-CE3 4.42Å; L55-W66 HydrophobicContact CD2-CG 4.03Å; L55-W66 HydrophobicContact CD2-CZ2 4.44Å; L55-W66 HydrophobicContact CG-CD2 4.48Å; L55-W66 HydrophobicContact CG-CZ2 4.13Å; L55-W66 PolarHBondContact O-NE1 2.77Å; L55-F73 HydrophobicContact CD1-CB 3.91Å; L55-F73 HydrophobicContact CD1-CD1 4.17Å; L55-F73 HydrophobicContact CD1-CD2 4.03Å; L55-F73 HydrophobicContact CD1-CG 3.78Å; L55-F73 HydrophobicContact CD2-CB 3.95Å; L55-F124 HydrophobicContact CD1-CE2 3.93Å
56S94.7Very high95.7Very high75 Ų7541 Ų4152%0.52423%0.233SC..Hα-helixtrans-75.4-22.3178.173.10000113.1L52 E53 L54L52-S56 WeakPolarHBondContact O-CB 3.47Å; L52-S56 PolarHBondContact O-N 3.32Å; E53-S56 PolarHBondContact O-N 2.87Å; E53-S56 PolarHBondContact O-OG 2.81Å; L54-S56 VanDerWaalsContact C-N 3.25Å; L54-S56 PolarHBondContact O-N 3.13Å
57D93.8Very high95.7Very high80 Ų8042.5 Ų42.543%0.42824%0.24SC..  trans-110.6119-179.9-178.41.2000110.9L54 L55 A59 N60L54-D57 PolarHBondContact O-N 3.11Å; L55-D57 VanDerWaalsContact C-N 3.31Å; D57-A59 PolarHBondContact O-N 2.74Å; D57-A59 VanDerWaalsContact O-N 3.15Å; D57-A59 VanDerWaalsContact OD1-CB 3.32Å; D57-A59 WeakPolarHBondContact OD1-CB 3.3Å; D57-A59 PolarHBondContact OD1-N 2.97Å; D57-N60 PolarHBondContact O-N 3.41Å; D57-N60 VanDerWaalsContact O-N 3.1Å
58S91.1Very high95.3Very high91 Ų9145.7 Ų45.764%0.63627%0.273SS*.G310 helixtrans-61.8-19.7178.450.70000113.7N60 M61S58-N60 PolarHBondContact O-N 3.37Å; S58-M61 VanDerWaalsContact O-CB 3.31Å; S58-M61 WeakPolarHBondContact O-CB 3.4Å; S58-M61 WeakPolarHBondContact O-CG 3.32Å; S58-M61 PolarHBondContact O-N 3.42Å
59A94.4Very high94.9Very high73 Ų7349.4 Ų49.460%0.60330%0.297SS*.G310 helixtrans-63.1-20.917500000112.9D57 M61D57-A59 PolarHBondContact O-N 2.74Å; D57-A59 VanDerWaalsContact O-N 3.15Å; D57-A59 VanDerWaalsContact OD1-CB 3.32Å; D57-A59 WeakPolarHBondContact OD1-CB 3.3Å; D57-A59 PolarHBondContact OD1-N 2.97Å; A59-M61 VanDerWaalsContact C-N 3.33Å
60N94.6Very high94.6Very high22 Ų2254.7 Ų54.712%0.11833%0.326CS..G310 helixtrans-88.23.1178.7-58.5-51.3000114L54 D57 S58 S62 C63 I64 R84L54-N60 WeakPolarHBondContact O-CB 3.37Å; L54-N60 PolarHBondContact O-ND2 2.96Å; D57-N60 PolarHBondContact O-N 3.41Å; D57-N60 VanDerWaalsContact O-N 3.1Å; S58-N60 PolarHBondContact O-N 3.37Å; N60-S62 PolarHBondContact O-N 3.33Å; N60-C63 PolarHBondContact O-N 3.49Å; N60-C63 PolarHBondContact O-SG 3.35Å; N60-I64 CarbonylContact C-O 3.55Å; N60-I64 HydrophobicContact CB-CG2 4.3Å; N60-I64 PolarHBondContact O-N 2.94Å; N60-I64 VanDerWaalsContact O-O 3.08Å; N60-R84 PolarHBondContact OD1-NH1 2.88Å
61M94.5Very high94.5Very high115 Ų11554.9 Ų54.957%0.56733%0.328SS*.THydrogen-bonded Turntrans-58.8-17.5-177.2-77.8179.468.700114.5S58 A59 C63 I64 A65 I76S58-M61 VanDerWaalsContact O-CB 3.31Å; S58-M61 WeakPolarHBondContact O-CB 3.4Å; S58-M61 WeakPolarHBondContact O-CG 3.32Å; S58-M61 PolarHBondContact O-N 3.42Å; A59-M61 VanDerWaalsContact C-N 3.33Å; M61-C63 VanDerWaalsContact C-N 3.34Å; M61-I64 WeakPolarHBondContact CA-O 3.25Å; M61-A65 HydrophobicContact CG-CB 4.28Å; M61-I76 WeakPolarHBondContact O-CD1 3.32Å
62S96.3Very high94.5Very high69 Ų6955.6 Ų55.648%0.48333%0.332SS..THydrogen-bonded Turntrans-68.7-32.7172.8580000112.5N60 I76N60-S62 PolarHBondContact O-N 3.33Å; S62-I76 WeakPolarHBondContact O-CB 3.42Å; S62-I76 WeakPolarHBondContact O-CG2 3.43Å
63C96.6Very high94.6Very high0 Ų053.3 Ų53.30%032%0.32CS..THydrogen-bonded Turntrans-107.2-30.8-176.968.10000114N60 M61 I76 E77 E80 V81N60-C63 PolarHBondContact O-N 3.49Å; N60-C63 PolarHBondContact O-SG 3.35Å; M61-C63 VanDerWaalsContact C-N 3.34Å; C63-I76 PolarHBondContact O-N 2.74Å; C63-E77 HydrophobicContact CB-CB 4.08Å; C63-E77 PolarHBondContact O-N 2.94Å; C63-E77 VanDerWaalsContact O-N 3.11Å; C63-E80 HydrophobicContact CB-CB 4.08Å; C63-E80 HydrophobicContact CB-CG 3.81Å; C63-V81 HydrophobicContact CB-CG2 4.08Å; C63-V81 WeakPolarHBondContact O-CG2 3.43Å
64I98.3Very high94.7Very high2 Ų253.9 Ų53.91%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-151135.3178.5-174.9173.2000110.7L51 L54 L55 N60 M61 F73 K74 L75 V81L51-I64 HydrophobicContact CB-CD1 4.46Å; L51-I64 HydrophobicContact CD2-CD1 3.8Å; L54-I64 HydrophobicContact CB-CG2 3.58Å; L54-I64 HydrophobicContact CD1-CG2 4Å; L54-I64 HydrophobicContact CG-CG2 4.44Å; L55-I64 HydrophobicContact CD1-CD1 4.03Å; L55-I64 HydrophobicContact CD1-CG1 4.48Å; L55-I64 HydrophobicContact CD2-CD1 4.14Å; L55-I64 HydrophobicContact CD2-CG1 3.71Å; L55-I64 HydrophobicContact CG-CD1 3.77Å; L55-I64 HydrophobicContact CG-CG1 3.91Å; N60-I64 CarbonylContact C-O 3.55Å; N60-I64 HydrophobicContact CB-CG2 4.3Å; N60-I64 PolarHBondContact O-N 2.94Å; N60-I64 VanDerWaalsContact O-O 3.08Å; M61-I64 WeakPolarHBondContact CA-O 3.25Å; I64-F73 HydrophobicContact CD1-CD2 3.94Å; I64-F73 HydrophobicContact CD1-CE2 4.12Å; I64-F73 HydrophobicContact CG1-CD2 4.17Å; I64-K74 WeakPolarHBondContact CA-O 3.35Å; I64-L75 HydrophobicContact CB-CD2 4.37Å; I64-L75 HydrophobicContact CD1-CD2 3.52Å; I64-L75 HydrophobicContact CG1-CD2 3.83Å; I64-V81 HydrophobicContact CB-CG2 4.05Å; I64-V81 HydrophobicContact CG2-CG2 4.5Å
65A97.4Very high94.8Very high13 Ų1353.4 Ų53.411%0.10732%0.319CS..EExtended strand (participates in β ladder)trans-146.4152.4-179.800000112.3L55 M61 F73 K74 I76L55-A65 VanDerWaalsContact CD2-C 3.43Å; M61-A65 HydrophobicContact CG-CB 4.28Å; A65-F73 CarbonylContact O-C 3.54Å; A65-F73 VanDerWaalsContact O-CA 3.3Å; A65-F73 WeakPolarHBondContact O-CA 3.45Å; A65-F73 WeakPolarHBondContact O-CB 3.39Å; A65-K74 PolarHBondContact N-O 3Å; A65-K74 VanDerWaalsContact N-O 3.09Å; A65-K74 PolarHBondContact O-N 3.45Å; A65-I76 HydrophobicContact CB-CD1 3.69Å
66W97Very high94.9Very high121 Ų12156.9 Ų56.946%0.45834%0.337SS..EExtended strand (participates in β ladder)trans-63.9132.2163.6-63110.8000109.4L52 L55 F73 F124L52-W66 HydrophobicContact CD2-CH2 3.78Å; L52-W66 HydrophobicContact CD2-CZ2 4.06Å; L55-W66 HydrophobicContact CB-CD2 4.46Å; L55-W66 HydrophobicContact CB-CH2 4.45Å; L55-W66 HydrophobicContact CB-CZ2 3.62Å; L55-W66 HydrophobicContact CD1-CD2 4.36Å; L55-W66 HydrophobicContact CD1-CE3 4.33Å; L55-W66 HydrophobicContact CD1-CH2 3.71Å; L55-W66 HydrophobicContact CD1-CZ2 3.73Å; L55-W66 HydrophobicContact CD1-CZ3 4.01Å; L55-W66 HydrophobicContact CD2-CD2 3.9Å; L55-W66 HydrophobicContact CD2-CE3 4.42Å; L55-W66 HydrophobicContact CD2-CG 4.03Å; L55-W66 HydrophobicContact CD2-CZ2 4.44Å; L55-W66 HydrophobicContact CG-CD2 4.48Å; L55-W66 HydrophobicContact CG-CZ2 4.13Å; L55-W66 PolarHBondContact O-NE1 2.77Å; W66-F73 HydrophobicContact CE3-CB 3.84Å; W66-F73 HydrophobicContact CZ3-CB 4.13Å; W66-F73 HydrophobicContact CZ3-CD1 4.29Å; W66-F124 AromaticContact CH2-CD2 3.84Å; W66-F124 HydrophobicContact CH2-CD2 3.84Å; W66-F124 HydrophobicContact CH2-CE2 4.04Å; W66-F124 AromaticContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CE2 4.37Å
67E93.4Very high95Very high72 Ų7258 Ų5834%0.33633%0.333SS..  trans-144.4135.7-179.2-171.1-165.6125.900109.7E72 K74 K118E67-E72 PolarHBondContact N-O 2.68Å; E67-E72 CarbonylContact O-C 3.29Å; E67-E72 VanDerWaalsContact O-C 3.29Å; E67-E72 WeakPolarHBondContact O-CB 3.49Å; E67-E72 WeakPolarHBondContact O-CG 3.39Å; E67-K74 HydrophobicContact CB-CB 4.39Å; E67-K74 WeakPolarHBondContact OE2-CD 3.48Å; E67-K74 IonicContact OE2-NZ 3.85Å; E67-K118 IonicContact OE1-NZ 2.79Å; E67-K118 PolarHBondContact OE1-NZ 3.22Å
68G88Confident95.2Very high67 Ų6754.9 Ų54.969%0.69132%0.318SS*.SBendtrans83.2-127.4171.800000113.3
69T87.8Confident95.6Very high89 Ų8955.9 Ų55.955%0.54632%0.316SS..SBendtrans-84.4168.7-174.157.30000112.8G71 E72T69-G71 PolarHBondContact O-N 2.91Å; T69-E72 PolarHBondContact N-OE2 3.44Å; T69-E72 VanDerWaalsContact O-CB 3.25Å; T69-E72 WeakPolarHBondContact O-CB 3.45Å; T69-E72 PolarHBondContact O-N 3.02Å; T69-E72 PolarHBondContact OG1-OE2 2.81Å
70N90.4Very high95.8Very high135 Ų13554.5 Ų54.572%0.72230%0.297SS*.THydrogen-bonded Turntrans-55.8126.6-178.1-171.544.3000112E72 F126N70-E72 VanDerWaalsContact C-N 3.29Å; N70-E72 PolarHBondContact O-N 2.96Å; N70-F126 VanDerWaalsContact ND2-CE2 3.32Å; N70-F126 WeakPolarHBondContact ND2-CE2 3.49Å
71G93.6Very high96Very high5 Ų553.4 Ų53.45%0.05229%0.291CS..THydrogen-bonded Turntrans80.6-1.9-177.200000115.4T69 K123 F124T69-G71 PolarHBondContact O-N 2.91Å; G71-K123 CarbonylContact O-C 3.59Å; G71-K123 WeakPolarHBondContact O-CA 3.34Å; G71-F124 PolarHBondContact O-N 3.28Å
72E97.8Very high96.1Very high16 Ų1648 Ų488%0.07526%0.264CS..EExtended strand (participates in β ladder)trans-85.7133.8175.6-172.9-175.8160.500110.8E67 T69 N70 V115 K118 Y122 K123E67-E72 PolarHBondContact N-O 2.68Å; E67-E72 CarbonylContact O-C 3.29Å; E67-E72 VanDerWaalsContact O-C 3.29Å; E67-E72 WeakPolarHBondContact O-CB 3.49Å; E67-E72 WeakPolarHBondContact O-CG 3.39Å; T69-E72 PolarHBondContact N-OE2 3.44Å; T69-E72 VanDerWaalsContact O-CB 3.25Å; T69-E72 WeakPolarHBondContact O-CB 3.45Å; T69-E72 PolarHBondContact O-N 3.02Å; T69-E72 PolarHBondContact OG1-OE2 2.81Å; N70-E72 VanDerWaalsContact C-N 3.29Å; N70-E72 PolarHBondContact O-N 2.96Å; E72-V115 HydrophobicContact CG-CG2 3.88Å; E72-K118 IonicContact OE1-NZ 3.18Å; E72-K118 PolarHBondContact OE1-NZ 3.44Å; E72-Y122 WeakPolarHBondContact CA-O 3.42Å; E72-K123 HydrophobicContact CB-CB 4.41Å; E72-K123 HydrophobicContact CB-CD 4.45Å; E72-K123 HydrophobicContact CB-CG 4.2Å
73F98.1Very high96.2Very high0 Ų050.1 Ų50.10%026%0.262CS..EExtended strand (participates in β ladder)trans-143162.4-179.271.2-86000110.9L51 L55 I64 A65 W66 L75 M112 A121 Y122 F124L51-F73 HydrophobicContact CD1-CE2 4.26Å; L51-F73 HydrophobicContact CD1-CZ 4.07Å; L55-F73 HydrophobicContact CD1-CB 3.91Å; L55-F73 HydrophobicContact CD1-CD1 4.17Å; L55-F73 HydrophobicContact CD1-CD2 4.03Å; L55-F73 HydrophobicContact CD1-CG 3.78Å; L55-F73 HydrophobicContact CD2-CB 3.95Å; I64-F73 HydrophobicContact CD1-CD2 3.94Å; I64-F73 HydrophobicContact CD1-CE2 4.12Å; I64-F73 HydrophobicContact CG1-CD2 4.17Å; A65-F73 CarbonylContact O-C 3.54Å; A65-F73 VanDerWaalsContact O-CA 3.3Å; A65-F73 WeakPolarHBondContact O-CA 3.45Å; A65-F73 WeakPolarHBondContact O-CB 3.39Å; W66-F73 HydrophobicContact CE3-CB 3.84Å; W66-F73 HydrophobicContact CZ3-CB 4.13Å; W66-F73 HydrophobicContact CZ3-CD1 4.29Å; F73-L75 HydrophobicContact CD2-CD2 4.33Å; F73-L75 HydrophobicContact CE2-CD2 4Å; F73-M112 HydrophobicContact CZ-CE 4.5Å; F73-M112 HydrophobicContact CZ-SD 4.42Å; F73-A121 WeakPolarHBondContact O-CA 3.42Å; F73-Y122 WeakPolarHBondContact CD1-O 3.32Å; F73-Y122 HydrophobicContact CE2-CD2 4.18Å; F73-Y122 HydrophobicContact CE2-CG 4.5Å; F73-Y122 VanDerWaalsContact CZ-CB 3.5Å; F73-Y122 HydrophobicContact CZ-CD2 4.33Å; F73-Y122 HydrophobicContact CZ-CG 4.19Å; F73-Y122 PolarHBondContact N-O 3.28Å; F73-Y122 PolarHBondContact O-N 3.24Å; F73-Y122 VanDerWaalsContact O-O 3.07Å; F73-F124 AromaticContact CD1-CD2 3.64Å; F73-F124 HydrophobicContact CD1-CD2 3.64Å; F73-F124 AromaticContact CD1-CE2 3.61Å; F73-F124 HydrophobicContact CD1-CE2 3.61Å; F73-F124 AromaticContact CE1-CD2 3.48Å; F73-F124 HydrophobicContact CE1-CD2 3.48Å; F73-F124 VanDerWaalsContact CE1-CD2 3.48Å; F73-F124 AromaticContact CE1-CE2 3.26Å; F73-F124 HydrophobicContact CE1-CE2 3.26Å; F73-F124 HydrophobicContact CE1-CG 4.29Å; F73-F124 AromaticContact CE1-CZ 3.95Å; F73-F124 HydrophobicContact CE1-CZ 3.95Å; F73-F124 AromaticContact CZ-CE2 3.96Å; F73-F124 HydrophobicContact CZ-CE2 3.96Å; F73-F124 HydrophobicContact CZ-CZ 4.3Å
74K98Very high96.3Very high66 Ų6653.2 Ų53.229%0.28727%0.274SS..EExtended strand (participates in β ladder)trans-133.7140.4178.5-173.7179176.8-173.50111.1I64 A65 E67 I76 R119 Y120 A121I64-K74 WeakPolarHBondContact CA-O 3.35Å; A65-K74 PolarHBondContact N-O 3Å; A65-K74 VanDerWaalsContact N-O 3.09Å; A65-K74 PolarHBondContact O-N 3.45Å; E67-K74 HydrophobicContact CB-CB 4.39Å; E67-K74 WeakPolarHBondContact OE2-CD 3.48Å; E67-K74 IonicContact OE2-NZ 3.85Å; K74-I76 PolarHBondContact O-N 2.76Å; K74-R119 WeakPolarHBondContact CE-O 3.29Å; K74-Y120 WeakPolarHBondContact CA-O 3.45Å; K74-A121 HydrophobicContact CG-CB 4.48Å
75L98.3Very high96.3Very high0 Ų053.8 Ų53.80%028%0.276CS..EExtended strand (participates in β ladder)trans-83108.5166.2-43.8177.1000107.6L51 I64 F73 P78 V81 Y96 L99 Y120 Y122L51-L75 HydrophobicContact CD2-CD2 4.39Å; I64-L75 HydrophobicContact CB-CD2 4.37Å; I64-L75 HydrophobicContact CD1-CD2 3.52Å; I64-L75 HydrophobicContact CG1-CD2 3.83Å; F73-L75 HydrophobicContact CD2-CD2 4.33Å; F73-L75 HydrophobicContact CE2-CD2 4Å; L75-P78 HydrophobicContact CB-CB 4.2Å; L75-P78 HydrophobicContact CD1-CB 4.41Å; L75-V81 HydrophobicContact CD2-CG1 4.12Å; L75-V81 HydrophobicContact CD2-CG2 4.2Å; L75-Y96 HydrophobicContact CD1-CD2 4.21Å; L75-Y96 HydrophobicContact CD1-CE2 3.7Å; L75-L99 HydrophobicContact CD1-CD2 4.45Å; L75-Y120 PolarHBondContact N-O 3.39Å; L75-Y120 WeakPolarHBondContact O-CB 3.43Å; L75-Y122 HydrophobicContact CD1-CE2 4.13Å; L75-Y122 HydrophobicContact CG-CE2 4.4Å
76I98.1Very high96.2Very high84 Ų8453.3 Ų53.343%0.43127%0.272SS..SBendtrans-76.9-46.8-179.6-64.8160.1000109.1M61 S62 C63 A65 K74 P78M61-I76 WeakPolarHBondContact O-CD1 3.32Å; S62-I76 WeakPolarHBondContact O-CB 3.42Å; S62-I76 WeakPolarHBondContact O-CG2 3.43Å; C63-I76 PolarHBondContact O-N 2.74Å; A65-I76 HydrophobicContact CB-CD1 3.69Å; K74-I76 PolarHBondContact O-N 2.76Å; I76-P78 WeakPolarHBondContact O-CD 3.28Å
77E98.3Very high96.2Very high97 Ų9753.6 Ų53.645%0.45328%0.278SS..SBendtrans-115.484.5171.2-66.6-178.4-123.400109.1C63 D79 E80 V81C63-E77 HydrophobicContact CB-CB 4.08Å; C63-E77 PolarHBondContact O-N 2.94Å; C63-E77 VanDerWaalsContact O-N 3.11Å; E77-D79 PolarHBondContact O-N 2.79Å; E77-E80 HydrophobicContact CB-CB 3.91Å; E77-E80 PolarHBondContact O-N 2.93Å; E77-V81 WeakPolarHBondContact O-CG2 3.26Å; E77-V81 PolarHBondContact O-N 2.96Å; E77-V81 VanDerWaalsContact O-N 3.13Å
78P98.2Very high96.2Very high15 Ų1553.1 Ų53.110%0.09727%0.274CS..Hα-helixtrans-60.5-30.9-175.322.8-33.2000113.3L75 I76 A82 Y96 Y120L75-P78 HydrophobicContact CB-CB 4.2Å; L75-P78 HydrophobicContact CD1-CB 4.41Å; I76-P78 WeakPolarHBondContact O-CD 3.28Å; P78-A82 WeakPolarHBondContact O-CB 3.29Å; P78-A82 PolarHBondContact O-N 3.28Å; P78-Y96 HydrophobicContact CB-CD2 3.51Å; P78-Y96 HydrophobicContact CB-CE2 4Å; P78-Y96 HydrophobicContact CB-CG 3.85Å; P78-Y120 HydrophobicContact CB-CD1 4.31Å; P78-Y120 HydrophobicContact CG-CD1 4.3Å; P78-Y120 HydrophobicContact CG-CD2 4.26Å; P78-Y120 HydrophobicContact CG-CE1 4.22Å; P78-Y120 HydrophobicContact CG-CE2 4.2Å; P78-Y120 HydrophobicContact CG-CG 4.32Å
79D98.4Very high96.4Very high113 Ų11353.2 Ų53.260%0.60426%0.255SS*.Hα-helixtrans-71-39.8177.8-64.9-41.1000112.1E77 A82 R83E77-D79 PolarHBondContact O-N 2.79Å; D79-A82 PolarHBondContact O-N 3.42Å; D79-R83 WeakPolarHBondContact O-CB 3.12Å; D79-R83 PolarHBondContact O-N 3.3Å
80E98.3Very high96.7Very high43 Ų4354.1 Ų54.120%0.20127%0.265CS..Hα-helixtrans-66.8-39.6175.5176.556.1-164.300111.2C63 E77 A82 R83 R84C63-E80 HydrophobicContact CB-CB 4.08Å; C63-E80 HydrophobicContact CB-CG 3.81Å; E77-E80 HydrophobicContact CB-CB 3.91Å; E77-E80 PolarHBondContact O-N 2.93Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.93Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 IonicContact OE1-CZ 3.44Å; E80-R83 IonicContact OE1-NE 3.77Å; E80-R83 IonicContact OE1-NH2 3.57Å; E80-R83 PolarHBondContact OE1-NH2 2.76Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 2.76Å; E80-R83 PolarHBondContact OE2-NE 3.27Å; E80-R83 IonicContact OE2-NH2 3.63Å; E80-R84 WeakPolarHBondContact O-CG 3.46Å; E80-R84 PolarHBondContact O-N 2.92Å; E80-R84 WeakPolarHBondContact OE1-CG 3.31Å; E80-R84 IonicContact OE1-CZ 3.56Å; E80-R84 IonicContact OE1-NE 2.76Å; E80-R84 PolarHBondContact OE1-NE 2.97Å; E80-R84 IonicContact OE1-NH2 2.76Å
81V98.4Very high96.8Very high0 Ų052.6 Ų52.60%025%0.252CS..Hα-helixtrans-61.4-42.5173.1176.90000110.8F50 L51 L54 C63 I64 L75 E77 W85 L99F50-V81 HydrophobicContact CE1-CG1 4.5Å; L51-V81 HydrophobicContact CD2-CG1 3.84Å; L54-V81 HydrophobicContact CD1-CG1 4.34Å; C63-V81 HydrophobicContact CB-CG2 4.08Å; C63-V81 WeakPolarHBondContact O-CG2 3.43Å; I64-V81 HydrophobicContact CB-CG2 4.05Å; I64-V81 HydrophobicContact CG2-CG2 4.5Å; L75-V81 HydrophobicContact CD2-CG1 4.12Å; L75-V81 HydrophobicContact CD2-CG2 4.2Å; E77-V81 WeakPolarHBondContact O-CG2 3.26Å; E77-V81 PolarHBondContact O-N 2.96Å; E77-V81 VanDerWaalsContact O-N 3.13Å; V81-W85 WeakPolarHBondContact O-CB 3.28Å; V81-W85 PolarHBondContact O-N 3.28Å; V81-L99 HydrophobicContact CG1-CD1 4.13Å
82A98.4Very high96.7Very high0 Ų058.1 Ų58.10%029%0.287CS..Hα-helixtrans-66.3-39.1176.300000112.7P78 D79 E80 W85 G86 M94 L99P78-A82 WeakPolarHBondContact O-CB 3.29Å; P78-A82 PolarHBondContact O-N 3.28Å; D79-A82 PolarHBondContact O-N 3.42Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.93Å; A82-W85 PolarHBondContact O-N 3.24Å; A82-G86 PolarHBondContact O-N 3.23Å; A82-M94 HydrophobicContact CB-CG 4.44Å; A82-M94 WeakPolarHBondContact O-CG 3.34Å; A82-L99 HydrophobicContact CB-CB 4.5Å; A82-L99 HydrophobicContact CB-CD1 4.15Å
83R98.4Very high96.6Very high114 Ų11463.5 Ų63.543%0.4332%0.316SS..Hα-helixtrans-61.2-50.6175.4-169.9-160.465.770.30.6110.8D79 E80 W85 G86 E87D79-R83 WeakPolarHBondContact O-CB 3.12Å; D79-R83 PolarHBondContact O-N 3.3Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 IonicContact OE1-CZ 3.44Å; E80-R83 IonicContact OE1-NE 3.77Å; E80-R83 IonicContact OE1-NH2 3.57Å; E80-R83 PolarHBondContact OE1-NH2 2.76Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 2.76Å; E80-R83 PolarHBondContact OE2-NE 3.27Å; E80-R83 IonicContact OE2-NH2 3.63Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 3.15Å; R83-G86 CarbonylContact O-C 3.58Å; R83-G86 WeakPolarHBondContact O-CA 3.34Å; R83-G86 PolarHBondContact O-N 3.38Å; R83-G86 VanDerWaalsContact O-N 3.1Å; R83-E87 IonicContact CZ-OE2 3.87Å; R83-E87 IonicContact NH1-OE2 3.59Å; R83-E87 PolarHBondContact NH1-OE2 3.05Å; R83-E87 IonicContact NH2-OE2 3.79Å; R83-E87 PolarHBondContact O-N 3.29Å
84R97.8Very high96.6Very high66 Ų6664.6 Ų64.625%0.24932%0.321CS..Hα-helixtrans-62.7-36.4177.4-69.7-175.3-175.8-162.22.8112.5F50 N60 E80 E87 R88F50-R84 HydrophobicContact CZ-CB 3.84Å; N60-R84 PolarHBondContact OD1-NH1 2.88Å; E80-R84 WeakPolarHBondContact O-CG 3.46Å; E80-R84 PolarHBondContact O-N 2.92Å; E80-R84 WeakPolarHBondContact OE1-CG 3.31Å; E80-R84 IonicContact OE1-CZ 3.56Å; E80-R84 IonicContact OE1-NE 2.76Å; E80-R84 PolarHBondContact OE1-NE 2.97Å; E80-R84 IonicContact OE1-NH2 2.76Å; R84-E87 PolarHBondContact O-N 3.41Å; R84-R88 WeakPolarHBondContact O-CB 3.18Å; R84-R88 PolarHBondContact O-N 3.14Å
85W97.5Very high96.6Very high13 Ų1364.2 Ų64.25%0.04932%0.323CS..Hα-helixtrans-65.9-41172.5177.5-124.7000112.2I45 L47 F50 V81 A82 R83 R88 K89 M94 L99I45-W85 HydrophobicContact CG2-CZ3 4.01Å; I45-W85 WeakPolarHBondContact O-CH2 3.48Å; L47-W85 HydrophobicContact CB-CH2 4.05Å; L47-W85 HydrophobicContact CB-CZ2 3.87Å; L47-W85 HydrophobicContact CD1-CD2 3.84Å; L47-W85 HydrophobicContact CD1-CE3 4.19Å; L47-W85 HydrophobicContact CD1-CG 4.09Å; L47-W85 HydrophobicContact CD1-CZ2 4.35Å; F50-W85 HydrophobicContact CB-CE3 3.83Å; F50-W85 HydrophobicContact CB-CZ3 3.58Å; F50-W85 HydrophobicContact CD1-CB 4.29Å; F50-W85 HydrophobicContact CD1-CD2 4.22Å; F50-W85 AromaticContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CE3 3.49Å; F50-W85 VanDerWaalsContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CZ3 4.16Å; F50-W85 HydrophobicContact CD2-CE3 4.04Å; F50-W85 HydrophobicContact CD2-CZ3 4.39Å; F50-W85 HydrophobicContact CE1-CB 3.72Å; F50-W85 HydrophobicContact CE1-CE3 4.01Å; F50-W85 HydrophobicContact CE1-CG 4.45Å; F50-W85 HydrophobicContact CE2-CE3 4.49Å; F50-W85 AromaticContact CG-CE3 3.49Å; F50-W85 HydrophobicContact CG-CE3 3.49Å; F50-W85 VanDerWaalsContact CG-CE3 3.49Å; F50-W85 AromaticContact CG-CZ3 3.79Å; F50-W85 HydrophobicContact CG-CZ3 3.79Å; F50-W85 HydrophobicContact CZ-CB 4.16Å; F50-W85 HydrophobicContact CZ-CE3 4.47Å; V81-W85 WeakPolarHBondContact O-CB 3.28Å; V81-W85 PolarHBondContact O-N 3.28Å; A82-W85 PolarHBondContact O-N 3.24Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 3.15Å; W85-R88 HydrophobicContact CE3-CB 4.34Å; W85-R88 HydrophobicContact CE3-CG 4.47Å; W85-R88 HydrophobicContact CZ3-CG 4.43Å; W85-R88 PolarHBondContact O-N 2.95Å; W85-K89 HydrophobicContact CD2-CG 3.92Å; W85-K89 HydrophobicContact CE3-CG 3.93Å; W85-K89 HydrophobicContact CH2-CD 3.52Å; W85-K89 HydrophobicContact CH2-CG 3.53Å; W85-K89 HydrophobicContact CZ2-CD 3.87Å; W85-K89 HydrophobicContact CZ2-CG 3.5Å; W85-K89 VanDerWaalsContact CZ2-CG 3.5Å; W85-K89 HydrophobicContact CZ3-CD 3.93Å; W85-K89 HydrophobicContact CZ3-CG 3.75Å; W85-K89 PolarHBondContact O-N 2.99Å; W85-M94 VanDerWaalsContact CD1-CE 3.5Å; W85-L99 HydrophobicContact CB-CD1 3.97Å; W85-L99 HydrophobicContact CG-CD1 4.18Å
86G96.8Very high96.6Very high3 Ų365.8 Ų65.83%0.03133%0.329CS..Hα-helixtrans-58-49172.700000111.7A82 R83 K89 S90 K91 M94A82-G86 PolarHBondContact O-N 3.23Å; R83-G86 CarbonylContact O-C 3.58Å; R83-G86 WeakPolarHBondContact O-CA 3.34Å; R83-G86 PolarHBondContact O-N 3.38Å; R83-G86 VanDerWaalsContact O-N 3.1Å; G86-K89 CarbonylContact O-C 3.6Å; G86-K89 PolarHBondContact O-N 3.46Å; G86-S90 CarbonylContact O-C 3.53Å; G86-S90 WeakPolarHBondContact O-CA 3.42Å; G86-S90 PolarHBondContact O-N 3.4Å; G86-K91 VanDerWaalsContact CA-O 3.32Å; G86-K91 WeakPolarHBondContact CA-O 3.45Å; G86-K91 PolarHBondContact O-N 3.37Å; G86-M94 VanDerWaalsContact CA-CB 3.47Å
87E96Very high96.6Very high127 Ų12767.5 Ų67.559%0.59334%0.339SS*.Hα-helixtrans-57.4-49.1174.4179.9167.4-139.500111.6R83 R84 K89 S90R83-E87 IonicContact CZ-OE2 3.87Å; R83-E87 IonicContact NH1-OE2 3.59Å; R83-E87 PolarHBondContact NH1-OE2 3.05Å; R83-E87 IonicContact NH2-OE2 3.79Å; R83-E87 PolarHBondContact O-N 3.29Å; R84-E87 PolarHBondContact O-N 3.41Å; E87-K89 VanDerWaalsContact C-N 3.27Å; E87-K89 PolarHBondContact O-N 3.34Å; E87-S90 PolarHBondContact O-N 2.91Å
88R94.7Very high96.6Very high62 Ų6268 Ų6823%0.23434%0.34CS..Hα-helixtrans-60-33179.3-174.960.863.585.70.6113.8I45 F50 E53 R84 W85I45-R88 HydrophobicContact CG2-CG 3.48Å; I45-R88 VanDerWaalsContact CG2-CG 3.48Å; F50-R88 HydrophobicContact CD2-CB 4.33Å; F50-R88 HydrophobicContact CD2-CG 4.07Å; F50-R88 HydrophobicContact CE2-CB 4.14Å; F50-R88 HydrophobicContact CE2-CG 4.34Å; E53-R88 VanDerWaalsContact CD-NH1 3.31Å; E53-R88 IonicContact OE1-CZ 3.32Å; E53-R88 IonicContact OE1-NH1 2.97Å; E53-R88 PolarHBondContact OE1-NH1 3.18Å; E53-R88 IonicContact OE1-NH2 2.94Å; E53-R88 PolarHBondContact OE1-NH2 3.35Å; E53-R88 IonicContact OE2-CZ 3.96Å; E53-R88 IonicContact OE2-NH1 2.92Å; E53-R88 PolarHBondContact OE2-NH1 3.22Å; R84-R88 WeakPolarHBondContact O-CB 3.18Å; R84-R88 PolarHBondContact O-N 3.14Å; W85-R88 HydrophobicContact CE3-CB 4.34Å; W85-R88 HydrophobicContact CE3-CG 4.47Å; W85-R88 HydrophobicContact CZ3-CG 4.43Å; W85-R88 PolarHBondContact O-N 2.95Å
89K91.8Very high96.6Very high70 Ų7067.4 Ų67.430%0.30434%0.335SS..THydrogen-bonded Turntrans-102.85.5-179-62.6-66-70.5-171.70113.4G43 I45 W85 G86 E87 K91G43-K89 WeakPolarHBondContact O-CD 3.35Å; G43-K89 WeakPolarHBondContact O-CE 3.47Å; G43-K89 PolarHBondContact O-NZ 3.39Å; I45-K89 PolarHBondContact O-NZ 2.93Å; W85-K89 HydrophobicContact CD2-CG 3.92Å; W85-K89 HydrophobicContact CE3-CG 3.93Å; W85-K89 HydrophobicContact CH2-CD 3.52Å; W85-K89 HydrophobicContact CH2-CG 3.53Å; W85-K89 HydrophobicContact CZ2-CD 3.87Å; W85-K89 HydrophobicContact CZ2-CG 3.5Å; W85-K89 VanDerWaalsContact CZ2-CG 3.5Å; W85-K89 HydrophobicContact CZ3-CD 3.93Å; W85-K89 HydrophobicContact CZ3-CG 3.75Å; W85-K89 PolarHBondContact O-N 2.99Å; G86-K89 CarbonylContact O-C 3.6Å; G86-K89 PolarHBondContact O-N 3.46Å; E87-K89 VanDerWaalsContact C-N 3.27Å; E87-K89 PolarHBondContact O-N 3.34Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K89-K91 HydrophobicContact CB-CD 4.08Å; K89-K91 HydrophobicContact CB-CG 4.08Å; K89-K91 PolarHBondContact O-N 3.34Å
90S93.3Very high96.6Very high108 Ų10863.3 Ų63.376%0.75532%0.316SS*.THydrogen-bonded Turntrans51.143.2-171.8-54.60000113.5G86 E87 P92G86-S90 CarbonylContact O-C 3.53Å; G86-S90 WeakPolarHBondContact O-CA 3.42Å; G86-S90 PolarHBondContact O-N 3.4Å; E87-S90 PolarHBondContact O-N 2.91Å; S90-P92 WeakPolarHBondContact O-CD 3.41Å
91K92.8Very high96.6Very high103 Ų10366.8 Ų66.845%0.44833%0.327SS..  trans-113.589.4178.3-66.3-178.269.3175.30109.9G86 K89 N93 M94G86-K91 VanDerWaalsContact CA-O 3.32Å; G86-K91 WeakPolarHBondContact CA-O 3.45Å; G86-K91 PolarHBondContact O-N 3.37Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K89-K91 HydrophobicContact CB-CD 4.08Å; K89-K91 HydrophobicContact CB-CG 4.08Å; K89-K91 PolarHBondContact O-N 3.34Å; K91-N93 PolarHBondContact O-N 3.42Å; K91-M94 HydrophobicContact CB-CB 4.46Å; K91-M94 HydrophobicContact CB-CE 4.08Å; K91-M94 HydrophobicContact CD-CE 3.73Å; K91-M94 VanDerWaalsContact O-CB 3.29Å; K91-M94 WeakPolarHBondContact O-CB 3.37Å; K91-M94 PolarHBondContact O-N 2.97Å; K91-M94 VanDerWaalsContact O-N 3.14Å
92P91.5Very high96.4Very high120 Ų12067.1 Ų67.178%0.77933%0.33SS*.THydrogen-bonded Turntrans-65.2-26.5-172.625.2-34.8000113.6S90 M94S90-P92 WeakPolarHBondContact O-CD 3.41Å; P92-M94 VanDerWaalsContact C-N 3.27Å; P92-M94 PolarHBondContact O-N 3.37Å
93N95.4Very high96.4Very high130 Ų13067.1 Ų67.170%0.69533%0.33SS*.THydrogen-bonded Turntrans-92.728.1178.3-59.8-33000112.6K91 K98K91-N93 PolarHBondContact O-N 3.42Å; N93-K98 PolarHBondContact O-NZ 3.31Å
94M98.1Very high96.4Very high22 Ų2269.4 Ų69.411%0.10834%0.338CS..  trans-75.6140.2174.4-172.259.669.600110.2A82 W85 G86 K91 P92 K98A82-M94 HydrophobicContact CB-CG 4.44Å; A82-M94 WeakPolarHBondContact O-CG 3.34Å; W85-M94 VanDerWaalsContact CD1-CE 3.5Å; G86-M94 VanDerWaalsContact CA-CB 3.47Å; K91-M94 HydrophobicContact CB-CB 4.46Å; K91-M94 HydrophobicContact CB-CE 4.08Å; K91-M94 HydrophobicContact CD-CE 3.73Å; K91-M94 VanDerWaalsContact O-CB 3.29Å; K91-M94 WeakPolarHBondContact O-CB 3.37Å; K91-M94 PolarHBondContact O-N 2.97Å; K91-M94 VanDerWaalsContact O-N 3.14Å; P92-M94 VanDerWaalsContact C-N 3.27Å; P92-M94 PolarHBondContact O-N 3.37Å; M94-K98 HydrophobicContact SD-CB 3.94Å
95N98.4Very high96.3Very high59 Ų5971.5 Ų71.532%0.31635%0.347SS..  trans-148.9173.5176.765.313.4000110.1D97 K98 L99N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 3.05Å; N95-D97 PolarHBondContact OD1-N 3.29Å; N95-K98 PolarHBondContact O-N 2.74Å; N95-K98 WeakPolarHBondContact OD1-CB 3.36Å; N95-K98 VanDerWaalsContact OD1-CG 3.26Å; N95-K98 WeakPolarHBondContact OD1-CG 3.43Å; N95-K98 PolarHBondContact OD1-N 3.46Å; N95-L99 WeakPolarHBondContact O-CB 3.45Å; N95-L99 PolarHBondContact O-N 3.31Å
96Y98.5Very high96.3Very high33 Ų3371.1 Ų71.113%0.12935%0.346CS..Hα-helixtrans-63.6-36-178.4177.3-103.9000112.9L75 P78 K98 L99 S100 Y120 Y122L75-Y96 HydrophobicContact CD1-CD2 4.21Å; L75-Y96 HydrophobicContact CD1-CE2 3.7Å; P78-Y96 HydrophobicContact CB-CD2 3.51Å; P78-Y96 HydrophobicContact CB-CE2 4Å; P78-Y96 HydrophobicContact CB-CG 3.85Å; Y96-K98 VanDerWaalsContact C-N 3.33Å; Y96-K98 PolarHBondContact O-N 2.96Å; Y96-L99 HydrophobicContact CD2-CD2 4.46Å; Y96-L99 PolarHBondContact O-N 3.41Å; Y96-S100 WeakPolarHBondContact O-CB 3.44Å; Y96-S100 PolarHBondContact O-N 2.88Å; Y96-S100 PolarHBondContact O-OG 3.49Å; Y96-Y120 HydrophobicContact CD1-CE1 4.13Å; Y96-Y120 AromaticContact CE1-CD1 3.8Å; Y96-Y120 HydrophobicContact CE1-CD1 3.8Å; Y96-Y120 AromaticContact CE1-CE1 3.51Å; Y96-Y120 HydrophobicContact CE1-CE1 3.51Å; Y96-Y120 HydrophobicContact CE2-CD1 4.07Å; Y96-Y120 AromaticContact CZ-CD1 3.48Å; Y96-Y120 VanDerWaalsContact CZ-CD1 3.48Å; Y96-Y120 AromaticContact CZ-CE1 3.73Å; Y96-Y120 WeakPolarHBondContact OH-CD1 3.3Å; Y96-Y122 PolarHBondContact OH-OH 3.37Å
97D98.2Very high96.3Very high119 Ų11973.4 Ų73.464%0.63635%0.354SS*.Hα-helixtrans-58.4-45176.9-62.9-75.8000112.2N95 S100 R101N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 3.05Å; N95-D97 PolarHBondContact OD1-N 3.29Å; D97-S100 PolarHBondContact O-OG 3.31Å; D97-R101 WeakPolarHBondContact O-CB 3.32Å; D97-R101 PolarHBondContact O-N 3Å
98K97.8Very high96.2Very high109 Ų10974.6 Ų74.647%0.47436%0.364SS..Hα-helixtrans-70.2-40.9177.7-68.8170.3-169.71750111.9N93 M94 N95 Y96 R101 A102N93-K98 PolarHBondContact O-NZ 3.31Å; M94-K98 HydrophobicContact SD-CB 3.94Å; N95-K98 PolarHBondContact O-N 2.74Å; N95-K98 WeakPolarHBondContact OD1-CB 3.36Å; N95-K98 VanDerWaalsContact OD1-CG 3.26Å; N95-K98 WeakPolarHBondContact OD1-CG 3.43Å; N95-K98 PolarHBondContact OD1-N 3.46Å; Y96-K98 VanDerWaalsContact C-N 3.33Å; Y96-K98 PolarHBondContact O-N 2.96Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 PolarHBondContact O-N 3.41Å; K98-A102 PolarHBondContact O-N 2.85Å
99L98.4Very high96Very high1 Ų176.8 Ų76.81%0.00538%0.376CS..Hα-helixtrans-64.6-47.8177.5-176.5153000110.8L47 L75 V81 A82 W85 N95 Y96 R101 A102 L103L47-L99 HydrophobicContact CD1-CD1 4.13Å; L47-L99 HydrophobicContact CD1-CG 4.16Å; L47-L99 HydrophobicContact CD2-CD2 4.45Å; L47-L99 HydrophobicContact CD2-CG 4.14Å; L75-L99 HydrophobicContact CD1-CD2 4.45Å; V81-L99 HydrophobicContact CG1-CD1 4.13Å; A82-L99 HydrophobicContact CB-CB 4.5Å; A82-L99 HydrophobicContact CB-CD1 4.15Å; W85-L99 HydrophobicContact CB-CD1 3.97Å; W85-L99 HydrophobicContact CG-CD1 4.18Å; N95-L99 WeakPolarHBondContact O-CB 3.45Å; N95-L99 PolarHBondContact O-N 3.31Å; Y96-L99 HydrophobicContact CD2-CD2 4.46Å; Y96-L99 PolarHBondContact O-N 3.41Å; L99-R101 PolarHBondContact O-N 3.28Å; L99-A102 WeakPolarHBondContact O-CA 3.16Å; L99-A102 VanDerWaalsContact O-CB 3.3Å; L99-A102 WeakPolarHBondContact O-CB 3.32Å; L99-A102 PolarHBondContact O-N 3.47Å; L99-L103 HydrophobicContact CD2-CD1 3.56Å; L99-L103 HydrophobicContact CD2-CD2 4.44Å; L99-L103 HydrophobicContact CD2-CG 3.88Å; L99-L103 PolarHBondContact O-N 3.32Å
100S98.3Very high96.2Very high28 Ų2877.6 Ų77.620%0.19638%0.383CS..Hα-helixtrans-63.6-30.7178.8670000112Y96 D97 A102 L103 R104Y96-S100 WeakPolarHBondContact O-CB 3.44Å; Y96-S100 PolarHBondContact O-N 2.88Å; Y96-S100 PolarHBondContact O-OG 3.49Å; D97-S100 PolarHBondContact O-OG 3.31Å; S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.1Å; S100-L103 PolarHBondContact O-N 3Å; S100-R104 PolarHBondContact O-N 3.01Å
101R98.1Very high96.3Very high116 Ų11672.5 Ų72.544%0.43835%0.347SS..Hα-helixtrans-60.7-39.9170-172.666.2-169.588.5-9.7112.3D97 K98 L99 R104 Y105D97-R101 WeakPolarHBondContact O-CB 3.32Å; D97-R101 PolarHBondContact O-N 3Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 PolarHBondContact O-N 3.41Å; L99-R101 PolarHBondContact O-N 3.28Å; R101-R104 PolarHBondContact O-N 3.4Å; R101-Y105 HydrophobicContact CG-CE2 4.13Å; R101-Y105 VanDerWaalsContact CZ-CE1 3.42Å; R101-Y105 VanDerWaalsContact NH1-CE2 3.34Å; R101-Y105 VanDerWaalsContact NH2-CZ 3.31Å; R101-Y105 PolarHBondContact NH2-OH 3.32Å; R101-Y105 VanDerWaalsContact NH2-OH 3.1Å; R101-Y105 VanDerWaalsContact O-CD2 3.27Å; R101-Y105 WeakPolarHBondContact O-CD2 3.33Å
102A95.6Very high96.5Very high7 Ų767.6 Ų67.66%0.05833%0.326CS..Hα-helixtrans-68.2-42.4175.200000112.2W31 L47 K98 L99 S100 R104 Y105W31-A102 HydrophobicContact CH2-CB 3.74Å; W31-A102 HydrophobicContact CZ2-CB 3.65Å; L47-A102 HydrophobicContact CD2-CB 3.6Å; K98-A102 PolarHBondContact O-N 2.85Å; L99-A102 WeakPolarHBondContact O-CA 3.16Å; L99-A102 VanDerWaalsContact O-CB 3.3Å; L99-A102 WeakPolarHBondContact O-CB 3.32Å; L99-A102 PolarHBondContact O-N 3.47Å; S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.1Å; A102-R104 PolarHBondContact O-N 2.84Å; A102-Y105 WeakPolarHBondContact O-CB 3.46Å; A102-Y105 PolarHBondContact O-N 3.38Å; A102-Y105 VanDerWaalsContact O-N 3.08Å
103L98Very high96.8Very high0 Ų064.7 Ų64.70%031%0.306CS..Hα-helixtrans-58.9-37.7174.9-61.2178.6000112.1L47 L51 L99 S100 Y105 Y106 Y107 M112 Y122L47-L103 HydrophobicContact CD2-CD2 3.55Å; L47-L103 HydrophobicContact CD2-CG 4.04Å; L47-L103 HydrophobicContact CG-CD2 4.03Å; L51-L103 HydrophobicContact CD1-CD2 3.59Å; L99-L103 HydrophobicContact CD2-CD1 3.56Å; L99-L103 HydrophobicContact CD2-CD2 4.44Å; L99-L103 HydrophobicContact CD2-CG 3.88Å; L99-L103 PolarHBondContact O-N 3.32Å; S100-L103 PolarHBondContact O-N 3Å; L103-Y105 VanDerWaalsContact C-N 3.25Å; L103-Y105 PolarHBondContact O-N 3.01Å; L103-Y106 HydrophobicContact CD2-CD2 4.3Å; L103-Y106 HydrophobicContact CD2-CE2 4.46Å; L103-Y106 WeakPolarHBondContact O-CB 3.45Å; L103-Y106 PolarHBondContact O-N 3.08Å; L103-Y107 WeakPolarHBondContact O-CE1 3.26Å; L103-M112 HydrophobicContact CB-SD 4.39Å; L103-M112 HydrophobicContact CD2-CE 4.11Å; L103-M112 HydrophobicContact CD2-SD 3.63Å; L103-Y122 HydrophobicContact CB-CE1 4.14Å; L103-Y122 HydrophobicContact CD1-CD1 4.36Å; L103-Y122 HydrophobicContact CD1-CD2 4.3Å; L103-Y122 HydrophobicContact CD1-CE1 3.82Å; L103-Y122 HydrophobicContact CD1-CE2 3.77Å; L103-Y122 VanDerWaalsContact CD1-CZ 3.49Å
104R97.7Very high96.9Very high161 Ų16162.7 Ų62.761%0.60829%0.291SS*.Hα-helixtrans-63.6-30177.5-171167-174.8124.63113.2S100 R101 A102 Y106 Y107S100-R104 PolarHBondContact O-N 3.01Å; R101-R104 PolarHBondContact O-N 3.4Å; A102-R104 PolarHBondContact O-N 2.84Å; R104-Y106 PolarHBondContact O-N 3.06Å; R104-Y107 HydrophobicContact CB-CE2 4.16Å; R104-Y107 HydrophobicContact CG-CD2 3.96Å; R104-Y107 HydrophobicContact CG-CE2 3.7Å; R104-Y107 PolarHBondContact O-N 3.37Å
105Y96.6Very high96.9Very high110 Ų11063 Ų6343%0.43129%0.294SS..THydrogen-bonded Turntrans-69.9-12.4174.3-66.3-58.7000113.3R101 A102 L103 K109R101-Y105 HydrophobicContact CG-CE2 4.13Å; R101-Y105 VanDerWaalsContact CZ-CE1 3.42Å; R101-Y105 VanDerWaalsContact NH1-CE2 3.34Å; R101-Y105 VanDerWaalsContact NH2-CZ 3.31Å; R101-Y105 PolarHBondContact NH2-OH 3.32Å; R101-Y105 VanDerWaalsContact NH2-OH 3.1Å; R101-Y105 VanDerWaalsContact O-CD2 3.27Å; R101-Y105 WeakPolarHBondContact O-CD2 3.33Å; A102-Y105 WeakPolarHBondContact O-CB 3.46Å; A102-Y105 PolarHBondContact O-N 3.38Å; A102-Y105 VanDerWaalsContact O-N 3.08Å; L103-Y105 VanDerWaalsContact C-N 3.25Å; L103-Y105 PolarHBondContact O-N 3.01Å; Y105-K109 WeakPolarHBondContact O-CG 3.48Å
106Y96.9Very high96.8Very high5 Ų568 Ų682%0.0232%0.315CS..THydrogen-bonded Turntrans-85.2-11178-67.9-35.6000114.4L47 W48 L103 R104 K109 N110 I111 M112L47-Y106 HydrophobicContact CB-CE2 4.08Å; L47-Y106 HydrophobicContact CD2-CE2 4.3Å; L47-Y106 HydrophobicContact CG-CE2 4.3Å; L47-Y106 PolarHBondContact N-OH 2.89Å; W48-Y106 HydrophobicContact CB-CE2 3.92Å; W48-Y106 AromaticContact CD1-CZ 3.89Å; W48-Y106 PolarHBondContact N-OH 3.42Å; L103-Y106 HydrophobicContact CD2-CD2 4.3Å; L103-Y106 HydrophobicContact CD2-CE2 4.46Å; L103-Y106 WeakPolarHBondContact O-CB 3.45Å; L103-Y106 PolarHBondContact O-N 3.08Å; R104-Y106 PolarHBondContact O-N 3.06Å; Y106-K109 HydrophobicContact CD1-CD 4.47Å; Y106-K109 PolarHBondContact O-N 3.41Å; Y106-N110 PolarHBondContact O-N 3.34Å; Y106-I111 HydrophobicContact CD1-CB 4.24Å; Y106-I111 HydrophobicContact CD1-CD1 3.59Å; Y106-I111 HydrophobicContact CD1-CG2 4.23Å; Y106-I111 HydrophobicContact CD2-CG2 4.36Å; Y106-I111 HydrophobicContact CE1-CD1 3.92Å; Y106-I111 HydrophobicContact CG-CB 4.19Å; Y106-I111 HydrophobicContact CG-CD1 4.39Å; Y106-I111 HydrophobicContact CG-CG2 4.02Å; Y106-I111 PolarHBondContact O-N 3.2Å; Y106-M112 CarbonylContact C-O 3.55Å; Y106-M112 HydrophobicContact CD2-CE 3.74Å; Y106-M112 HydrophobicContact CD2-CG 4.18Å; Y106-M112 HydrophobicContact CD2-SD 3.96Å; Y106-M112 HydrophobicContact CE2-CE 4.26Å; Y106-M112 HydrophobicContact CG-CG 4.36Å
107Y96.4Very high96.7Very high52 Ų5270.8 Ų70.820%0.20436%0.355CS..THydrogen-bonded Turntrans-65.4-51-178.3-58.5-8.7000110.9L103 R104 K109 N110 M112 K114L103-Y107 WeakPolarHBondContact O-CE1 3.26Å; R104-Y107 HydrophobicContact CB-CE2 4.16Å; R104-Y107 HydrophobicContact CG-CD2 3.96Å; R104-Y107 HydrophobicContact CG-CE2 3.7Å; R104-Y107 PolarHBondContact O-N 3.37Å; Y107-K109 PolarHBondContact O-N 3.49Å; Y107-N110 PolarHBondContact O-N 3.34Å; Y107-M112 WeakPolarHBondContact CA-O 3.47Å; Y107-M112 WeakPolarHBondContact CD1-O 3.15Å; Y107-K114 HydrophobicContact CE1-CB 4.33Å; Y107-K114 HydrophobicContact CE2-CB 4.3Å
108D93.6Very high96.5Very high151 Ų15168.7 Ų68.781%0.80734%0.34SS*.THydrogen-bonded Turntrans-73.7-13.9-179.7-54-25000112.6N110D108-N110 VanDerWaalsContact C-N 3.35Å
109K91.3Very high96.5Very high109 Ų10972 Ų7247%0.47435%0.349SS..THydrogen-bonded Turntrans-923.7177.8-64.2-17266.3174.30113.2Y105 Y106 Y107 I111Y105-K109 WeakPolarHBondContact O-CG 3.48Å; Y106-K109 HydrophobicContact CD1-CD 4.47Å; Y106-K109 PolarHBondContact O-N 3.41Å; Y107-K109 PolarHBondContact O-N 3.49Å; K109-I111 HydrophobicContact CB-CD1 3.86Å; K109-I111 HydrophobicContact CB-CG1 4.12Å; K109-I111 HydrophobicContact CD-CD1 4.31Å; K109-I111 PolarHBondContact O-N 3.16Å
110N94.9Very high96.5Very high87 Ų8775 Ų7547%0.46536%0.361SS..THydrogen-bonded Turntrans52.429.8-176.1-55.998.4000113.2Y106 Y107 D108 D125 G128Y106-N110 PolarHBondContact O-N 3.34Å; Y107-N110 PolarHBondContact O-N 3.34Å; D108-N110 VanDerWaalsContact C-N 3.35Å; N110-D125 WeakPolarHBondContact O-CB 3.35Å; N110-G128 WeakPolarHBondContact O-CA 3.41Å
111I95.6Very high96.5Very high0 Ų073.8 Ų73.80%035%0.352CS..SBendtrans-89.6-42.7178.2-73166.1000109.6W48 Y106 K109 D125 L129 V132W48-I111 HydrophobicContact CB-CG2 3.82Å; W48-I111 HydrophobicContact CG-CG2 4.13Å; Y106-I111 HydrophobicContact CD1-CB 4.24Å; Y106-I111 HydrophobicContact CD1-CD1 3.59Å; Y106-I111 HydrophobicContact CD1-CG2 4.23Å; Y106-I111 HydrophobicContact CD2-CG2 4.36Å; Y106-I111 HydrophobicContact CE1-CD1 3.92Å; Y106-I111 HydrophobicContact CG-CB 4.19Å; Y106-I111 HydrophobicContact CG-CD1 4.39Å; Y106-I111 HydrophobicContact CG-CG2 4.02Å; Y106-I111 PolarHBondContact O-N 3.2Å; K109-I111 HydrophobicContact CB-CD1 3.86Å; K109-I111 HydrophobicContact CB-CG1 4.12Å; K109-I111 HydrophobicContact CD-CD1 4.31Å; K109-I111 PolarHBondContact O-N 3.16Å; I111-D125 PolarHBondContact O-N 3.22Å; I111-L129 HydrophobicContact CG2-CD2 3.94Å; I111-V132 HydrophobicContact CD1-CG2 3.93Å; I111-V132 HydrophobicContact CG1-CG2 3.86Å
112M97.1Very high96.5Very high0 Ų068.4 Ų68.40%033%0.332CS..EExtended strand (participates in β ladder)trans-158.6166.4175.764.7176.769.300110.6W48 L51 F73 L103 Y106 Y107 K123 F124W48-M112 HydrophobicContact CB-CE 4.18Å; L51-M112 HydrophobicContact CD1-CE 4.2Å; F73-M112 HydrophobicContact CZ-CE 4.5Å; F73-M112 HydrophobicContact CZ-SD 4.42Å; L103-M112 HydrophobicContact CB-SD 4.39Å; L103-M112 HydrophobicContact CD2-CE 4.11Å; L103-M112 HydrophobicContact CD2-SD 3.63Å; Y106-M112 CarbonylContact C-O 3.55Å; Y106-M112 HydrophobicContact CD2-CE 3.74Å; Y106-M112 HydrophobicContact CD2-CG 4.18Å; Y106-M112 HydrophobicContact CD2-SD 3.96Å; Y106-M112 HydrophobicContact CE2-CE 4.26Å; Y106-M112 HydrophobicContact CG-CG 4.36Å; Y107-M112 WeakPolarHBondContact CA-O 3.47Å; Y107-M112 WeakPolarHBondContact CD1-O 3.15Å; M112-K123 CarbonylContact C-O 3.53Å; M112-K123 WeakPolarHBondContact CA-O 3.45Å; M112-K123 VanDerWaalsContact CB-O 3.29Å; M112-K123 WeakPolarHBondContact CB-O 3.5Å; M112-F124 HydrophobicContact CB-CD1 4.19Å; M112-F124 HydrophobicContact CE-CD1 3.99Å; M112-F124 HydrophobicContact CE-CE1 3.38Å; M112-F124 HydrophobicContact CE-CZ 3.84Å
113T97.7Very high96.6Very high59 Ų5972.3 Ų72.336%0.36235%0.348SS..EExtended strand (participates in β ladder)trans-133.1160177.153.80000111Y122 K123T113-Y122 CarbonylContact O-C 3.58Å; T113-Y122 VanDerWaalsContact O-CA 3.28Å; T113-Y122 WeakPolarHBondContact O-CA 3.27Å; T113-K123 PolarHBondContact N-O 2.95Å; T113-K123 PolarHBondContact O-N 3.14Å
114K97.4Very high96.6Very high89 Ų8972.5 Ų72.539%0.38735%0.349SS..EExtended strand (participates in β ladder)trans-78.3136172.2-171.6167-179.1173.30110.2Y107 H116Y107-K114 HydrophobicContact CE1-CB 4.33Å; Y107-K114 HydrophobicContact CE2-CB 4.3Å; K114-H116 PolarHBondContact O-CD2 3.08Å; K114-H116 PolarHBondContact O-N 3.13Å
115V97.6Very high96.5Very high28 Ų2867.1 Ų67.117%0.1733%0.332CS..  trans-82.5112166.7-176.70000108.3E72 K118 A121 K123E72-V115 HydrophobicContact CG-CG2 3.88Å; V115-K118 HydrophobicContact CG1-CB 4.2Å; V115-K118 HydrophobicContact CG1-CD 4.03Å; V115-K118 HydrophobicContact CG1-CG 4.21Å; V115-A121 HydrophobicContact CB-CB 3.84Å; V115-A121 HydrophobicContact CG1-CB 4.45Å; V115-A121 HydrophobicContact CG2-CB 4.24Å; V115-A121 PolarHBondContact N-O 2.76Å; V115-K123 HydrophobicContact CG2-CB 4.19Å
116H96.5Very high96.3Very high163 Ų16366.4 Ų66.476%0.75533%0.331SS*.THydrogen-bonded Turntrans-72.9149.1177-68.1-89.5000110.8K114 K118K114-H116 PolarHBondContact O-CD2 3.08Å; K114-H116 PolarHBondContact O-N 3.13Å; H116-K118 PolarHBondContact O-N 3.17Å
117G96.3Very high96Very high93 Ų9373.6 Ų73.696%0.95936%0.364SS*.THydrogen-bonded Turntrans80.2-11.9-176.300000115
118K95.6Very high95.7Very high75 Ų7571.2 Ų71.233%0.32636%0.356SS..SBendtrans-116.7136.5175-66.4-171.2-175.2-177.30111.5E67 E72 V115 H116 A121E67-K118 IonicContact OE1-NZ 2.79Å; E67-K118 PolarHBondContact OE1-NZ 3.22Å; E72-K118 IonicContact OE1-NZ 3.18Å; E72-K118 PolarHBondContact OE1-NZ 3.44Å; V115-K118 HydrophobicContact CG1-CB 4.2Å; V115-K118 HydrophobicContact CG1-CD 4.03Å; V115-K118 HydrophobicContact CG1-CG 4.21Å; H116-K118 PolarHBondContact O-N 3.17Å; K118-A121 HydrophobicContact CB-CB 3.56Å; K118-A121 HydrophobicContact CD-CB 4.18Å
119R97.4Very high95.5Very high177 Ų17764.6 Ų64.667%0.66832%0.32SS*.THydrogen-bonded Turntrans-75.8135174.9-67.9-177.365.3-170.90.6109.9K74 A121K74-R119 WeakPolarHBondContact CE-O 3.29Å; R119-A121 PolarHBondContact O-N 3.08Å; R119-A121 VanDerWaalsContact O-N 3.1Å
120Y98.3Very high95.4Very high66 Ų6662 Ų6226%0.25932%0.319SS..THydrogen-bonded Turntrans5822.4174.1-45.3-60.3000115.2K74 L75 P78 Y96 Y122K74-Y120 WeakPolarHBondContact CA-O 3.45Å; L75-Y120 PolarHBondContact N-O 3.39Å; L75-Y120 WeakPolarHBondContact O-CB 3.43Å; P78-Y120 HydrophobicContact CB-CD1 4.31Å; P78-Y120 HydrophobicContact CG-CD1 4.3Å; P78-Y120 HydrophobicContact CG-CD2 4.26Å; P78-Y120 HydrophobicContact CG-CE1 4.22Å; P78-Y120 HydrophobicContact CG-CE2 4.2Å; P78-Y120 HydrophobicContact CG-CG 4.32Å; Y96-Y120 HydrophobicContact CD1-CE1 4.13Å; Y96-Y120 AromaticContact CE1-CD1 3.8Å; Y96-Y120 HydrophobicContact CE1-CD1 3.8Å; Y96-Y120 AromaticContact CE1-CE1 3.51Å; Y96-Y120 HydrophobicContact CE1-CE1 3.51Å; Y96-Y120 HydrophobicContact CE2-CD1 4.07Å; Y96-Y120 AromaticContact CZ-CD1 3.48Å; Y96-Y120 VanDerWaalsContact CZ-CD1 3.48Å; Y96-Y120 AromaticContact CZ-CE1 3.73Å; Y96-Y120 WeakPolarHBondContact OH-CD1 3.3Å; Y120-Y122 WeakPolarHBondContact O-CD2 3.44Å
121A97.9Very high95Very high1 Ų164.8 Ų64.81%0.00833%0.329CS..EExtended strand (participates in β ladder)trans-104.9138.6-178.800000111.3F73 K74 V115 K118 R119F73-A121 WeakPolarHBondContact O-CA 3.42Å; K74-A121 HydrophobicContact CG-CB 4.48Å; V115-A121 HydrophobicContact CB-CB 3.84Å; V115-A121 HydrophobicContact CG1-CB 4.45Å; V115-A121 HydrophobicContact CG2-CB 4.24Å; V115-A121 PolarHBondContact N-O 2.76Å; K118-A121 HydrophobicContact CB-CB 3.56Å; K118-A121 HydrophobicContact CD-CB 4.18Å; R119-A121 PolarHBondContact O-N 3.08Å; R119-A121 VanDerWaalsContact O-N 3.1Å
122Y98.3Very high94.5Very high4 Ų466.6 Ų66.62%0.01634%0.34CS..EExtended strand (participates in β ladder)trans-142.8158.7-174.5-59.8-89.4000109.5E72 F73 L75 Y96 L103 T113 Y120E72-Y122 WeakPolarHBondContact CA-O 3.42Å; F73-Y122 WeakPolarHBondContact CD1-O 3.32Å; F73-Y122 HydrophobicContact CE2-CD2 4.18Å; F73-Y122 HydrophobicContact CE2-CG 4.5Å; F73-Y122 VanDerWaalsContact CZ-CB 3.5Å; F73-Y122 HydrophobicContact CZ-CD2 4.33Å; F73-Y122 HydrophobicContact CZ-CG 4.19Å; F73-Y122 PolarHBondContact N-O 3.28Å; F73-Y122 PolarHBondContact O-N 3.24Å; F73-Y122 VanDerWaalsContact O-O 3.07Å; L75-Y122 HydrophobicContact CD1-CE2 4.13Å; L75-Y122 HydrophobicContact CG-CE2 4.4Å; Y96-Y122 PolarHBondContact OH-OH 3.37Å; L103-Y122 HydrophobicContact CB-CE1 4.14Å; L103-Y122 HydrophobicContact CD1-CD1 4.36Å; L103-Y122 HydrophobicContact CD1-CD2 4.3Å; L103-Y122 HydrophobicContact CD1-CE1 3.82Å; L103-Y122 HydrophobicContact CD1-CE2 3.77Å; L103-Y122 VanDerWaalsContact CD1-CZ 3.49Å; T113-Y122 CarbonylContact O-C 3.58Å; T113-Y122 VanDerWaalsContact O-CA 3.28Å; T113-Y122 WeakPolarHBondContact O-CA 3.27Å; Y120-Y122 WeakPolarHBondContact O-CD2 3.44Å
123K97.8Very high93.8Very high88 Ų8869.9 Ų69.938%0.38336%0.363SS..EExtended strand (participates in β ladder)trans-133.4123.9178-171175.270.9175.50110.6G71 E72 M112 T113 V115G71-K123 CarbonylContact O-C 3.59Å; G71-K123 WeakPolarHBondContact O-CA 3.34Å; E72-K123 HydrophobicContact CB-CB 4.41Å; E72-K123 HydrophobicContact CB-CD 4.45Å; E72-K123 HydrophobicContact CB-CG 4.2Å; M112-K123 CarbonylContact C-O 3.53Å; M112-K123 WeakPolarHBondContact CA-O 3.45Å; M112-K123 VanDerWaalsContact CB-O 3.29Å; M112-K123 WeakPolarHBondContact CB-O 3.5Å; T113-K123 PolarHBondContact N-O 2.95Å; T113-K123 PolarHBondContact O-N 3.14Å; V115-K123 HydrophobicContact CG2-CB 4.19Å
124F97.8Very high92.7Very high5 Ų573.2 Ų73.22%0.02237%0.374CS..EExtended strand (participates in β ladder)trans-66.4144.1171.6-77.2-75.3000111W48 L51 L52 L55 W66 G71 F73 M112 L129W48-F124 HydrophobicContact CB-CE1 4.19Å; L51-F124 HydrophobicContact CB-CZ 4.2Å; L52-F124 HydrophobicContact CD1-CE1 4.49Å; L52-F124 HydrophobicContact CD2-CD2 3.96Å; L52-F124 HydrophobicContact CD2-CE1 4.29Å; L52-F124 HydrophobicContact CD2-CE2 3.55Å; L52-F124 HydrophobicContact CD2-CG 4.5Å; L52-F124 HydrophobicContact CD2-CZ 3.73Å; L52-F124 HydrophobicContact CG-CE1 4.13Å; L52-F124 HydrophobicContact CG-CE2 4.07Å; L52-F124 HydrophobicContact CG-CZ 3.7Å; L55-F124 HydrophobicContact CD1-CE2 3.93Å; W66-F124 AromaticContact CH2-CD2 3.84Å; W66-F124 HydrophobicContact CH2-CD2 3.84Å; W66-F124 HydrophobicContact CH2-CE2 4.04Å; W66-F124 AromaticContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CE2 4.37Å; G71-F124 PolarHBondContact O-N 3.28Å; F73-F124 AromaticContact CD1-CD2 3.64Å; F73-F124 HydrophobicContact CD1-CD2 3.64Å; F73-F124 AromaticContact CD1-CE2 3.61Å; F73-F124 HydrophobicContact CD1-CE2 3.61Å; F73-F124 AromaticContact CE1-CD2 3.48Å; F73-F124 HydrophobicContact CE1-CD2 3.48Å; F73-F124 VanDerWaalsContact CE1-CD2 3.48Å; F73-F124 AromaticContact CE1-CE2 3.26Å; F73-F124 HydrophobicContact CE1-CE2 3.26Å; F73-F124 HydrophobicContact CE1-CG 4.29Å; F73-F124 AromaticContact CE1-CZ 3.95Å; F73-F124 HydrophobicContact CE1-CZ 3.95Å; F73-F124 AromaticContact CZ-CE2 3.96Å; F73-F124 HydrophobicContact CZ-CE2 3.96Å; F73-F124 HydrophobicContact CZ-CZ 4.3Å; M112-F124 HydrophobicContact CB-CD1 4.19Å; M112-F124 HydrophobicContact CE-CD1 3.99Å; M112-F124 HydrophobicContact CE-CE1 3.38Å; M112-F124 HydrophobicContact CE-CZ 3.84Å; F124-L129 HydrophobicContact CB-CD1 3.93Å; F124-L129 HydrophobicContact CD1-CD1 3.68Å; F124-L129 HydrophobicContact CD1-CD2 4.3Å; F124-L129 HydrophobicContact CD1-CG 4.28Å; F124-L129 HydrophobicContact CE1-CD1 4.47Å; F124-L129 HydrophobicContact CG-CD1 4.05Å
125D95.8Very high90.9Very high47 Ų4773 Ų7325%0.25138%0.382SS..  trans-105.7107.4169.8-179.8-4.8000108.7N110 I111 H127 G128 L129N110-D125 WeakPolarHBondContact O-CB 3.35Å; I111-D125 PolarHBondContact O-N 3.22Å; D125-H127 PolarHBondContact O-N 3.35Å; D125-H127 WeakPolarHBondContact OD1-CB 3.41Å; D125-H127 IonicContact OD1-CG 3.6Å; D125-H127 PolarHBondContact OD1-N 2.91Å; D125-H127 IonicContact OD1-ND1 3.52Å; D125-H127 PolarHBondContact OD1-ND1 3.1Å; D125-G128 PolarHBondContact O-N 3.23Å; D125-L129 WeakPolarHBondContact O-CB 3.46Å; D125-L129 WeakPolarHBondContact O-CG 3.39Å; D125-L129 PolarHBondContact O-N 2.95Å
126F91.6Very high88.6Confident95 Ų9575.5 Ų75.542%0.41740%0.4SS..Hα-helixtrans-64.1-26-176.4-64.9-67.7000112.9N70 L129 A130N70-F126 VanDerWaalsContact ND2-CE2 3.32Å; N70-F126 WeakPolarHBondContact ND2-CE2 3.49Å; F126-L129 HydrophobicContact CD1-CD1 4.3Å; F126-A130 VanDerWaalsContact O-CB 3.31Å; F126-A130 WeakPolarHBondContact O-CB 3.49Å; F126-A130 PolarHBondContact O-N 2.76Å
127H90.9Very high86.4Confident156 Ų15671.3 Ų71.372%0.72239%0.39SS*.Hα-helixtrans-69.8-47.9178.8-6289.3000111D125 A130 Q131D125-H127 PolarHBondContact O-N 3.35Å; D125-H127 WeakPolarHBondContact OD1-CB 3.41Å; D125-H127 IonicContact OD1-CG 3.6Å; D125-H127 PolarHBondContact OD1-N 2.91Å; D125-H127 IonicContact OD1-ND1 3.52Å; D125-H127 PolarHBondContact OD1-ND1 3.1Å; H127-A130 PolarHBondContact O-N 3.3Å; H127-Q131 PolarHBondContact O-N 3.18Å
128G89.9Confident84.2Confident2 Ų271.3 Ų71.32%0.02137%0.371CS..Hα-helixtrans-75.1-3117700000112.9N110 D125 A130 Q131 V132N110-G128 WeakPolarHBondContact O-CA 3.41Å; D125-G128 PolarHBondContact O-N 3.23Å; G128-A130 VanDerWaalsContact C-N 3.33Å; G128-A130 PolarHBondContact O-N 3.28Å; G128-Q131 PolarHBondContact O-N 2.71Å; G128-V132 WeakPolarHBondContact O-CG2 3.47Å; G128-V132 PolarHBondContact O-N 3.15Å
129L90.2Very high81.8Confident12 Ų1275 Ų756%0.06339%0.39CS..Hα-helixtrans-58.9-44168.5-80.5179000112.1W48 I111 F124 D125 F126 Q131 V132 C133W48-L129 HydrophobicContact CD2-CD2 3.99Å; W48-L129 HydrophobicContact CE3-CD2 3.45Å; W48-L129 VanDerWaalsContact CE3-CD2 3.45Å; W48-L129 HydrophobicContact CZ3-CD2 3.76Å; I111-L129 HydrophobicContact CG2-CD2 3.94Å; F124-L129 HydrophobicContact CB-CD1 3.93Å; F124-L129 HydrophobicContact CD1-CD1 3.68Å; F124-L129 HydrophobicContact CD1-CD2 4.3Å; F124-L129 HydrophobicContact CD1-CG 4.28Å; F124-L129 HydrophobicContact CE1-CD1 4.47Å; F124-L129 HydrophobicContact CG-CD1 4.05Å; D125-L129 WeakPolarHBondContact O-CB 3.46Å; D125-L129 WeakPolarHBondContact O-CG 3.39Å; D125-L129 PolarHBondContact O-N 2.95Å; F126-L129 HydrophobicContact CD1-CD1 4.3Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.08Å; L129-V132 PolarHBondContact O-N 2.98Å; L129-V132 VanDerWaalsContact O-N 3.14Å; L129-C133 WeakPolarHBondContact O-CB 3.25Å; L129-C133 PolarHBondContact O-N 2.93Å; L129-C133 PolarHBondContact O-SG 3.08Å; L129-C133 VanDerWaalsContact O-SG 3.34Å
130A88.6Confident79.4Confident55 Ų5571.5 Ų71.546%0.45538%0.381SS..Hα-helixtrans-59.7-38.9177.500000111.7F126 H127 G128 Q134F126-A130 VanDerWaalsContact O-CB 3.31Å; F126-A130 WeakPolarHBondContact O-CB 3.49Å; F126-A130 PolarHBondContact O-N 2.76Å; H127-A130 PolarHBondContact O-N 3.3Å; G128-A130 VanDerWaalsContact C-N 3.33Å; G128-A130 PolarHBondContact O-N 3.28Å; A130-Q134 WeakPolarHBondContact O-CG 3.35Å; A130-Q134 PolarHBondContact O-N 3.49Å
131Q87.7Confident77.1Confident145 Ų14571.2 Ų71.268%0.67839%0.392SS*.Hα-helixtrans-66.5-39.5174.6-72.3177.7-14.200112.8H127 G128 L129 C133 Q134H127-Q131 PolarHBondContact O-N 3.18Å; G128-Q131 PolarHBondContact O-N 2.71Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.08Å; Q131-C133 VanDerWaalsContact C-N 3.33Å; Q131-Q134 PolarHBondContact O-N 3.43Å
132V84.4Confident74.7Confident38 Ų3877 Ų7723%0.2342%0.422CS..Hα-helixtrans-72.2-28.5179.6174.40000112.2T36 W48 I111 G128 L129 Q134T36-V132 WeakPolarHBondContact CG2-O 3.33Å; W48-V132 HydrophobicContact CZ2-CG1 3.71Å; I111-V132 HydrophobicContact CD1-CG2 3.93Å; I111-V132 HydrophobicContact CG1-CG2 3.86Å; G128-V132 WeakPolarHBondContact O-CG2 3.47Å; G128-V132 PolarHBondContact O-N 3.15Å; L129-V132 PolarHBondContact O-N 2.98Å; L129-V132 VanDerWaalsContact O-N 3.14Å; V132-Q134 VanDerWaalsContact C-N 3.34Å
133C82.3Confident72.5Confident69 Ų6982.6 Ų82.647%0.46644%0.444SS..Hα-helixtrans-77.2-17.2176-72.40000113.6L129 Q131L129-C133 WeakPolarHBondContact O-CB 3.25Å; L129-C133 PolarHBondContact O-N 2.93Å; L129-C133 PolarHBondContact O-SG 3.08Å; L129-C133 VanDerWaalsContact O-SG 3.34Å; Q131-C133 VanDerWaalsContact C-N 3.33Å
134Q75.6Confident70Confident130 Ų13085.7 Ų85.761%0.60746%0.458SS*.SBendtrans-65.2136.6174.9-67.8-61.9-26.100109.6A130 Q131 V132 S136A130-Q134 WeakPolarHBondContact O-CG 3.35Å; A130-Q134 PolarHBondContact O-N 3.49Å; Q131-Q134 PolarHBondContact O-N 3.43Å; V132-Q134 VanDerWaalsContact C-N 3.34Å; Q134-S136 PolarHBondContact O-N 2.81Å; Q134-S136 VanDerWaalsContact O-N 3.08Å
135P58.4Low67.4Low84 Ų8493.4 Ų93.455%0.54549%0.492SS..  trans-58.1120.7168.425.6-31.4000106.9S137P135-S137 PolarHBondContact O-N 3.07Å
136S49.9Very low64.9Low80 Ų8098.9 Ų98.956%0.55952%0.516SS*.  trans-55.6114.3173.649.30000107.6Q134 T138Q134-S136 PolarHBondContact O-N 2.81Å; Q134-S136 VanDerWaalsContact O-N 3.08Å; S136-T138 PolarHBondContact O-N 3.44Å
137S49.1Very low62.7Low76 Ų7698.3 Ų98.353%0.53152%0.523SS..  trans-59.251.9173.7-76.40000113.1P135 E139 Q140P135-S137 PolarHBondContact O-N 3.07Å; S137-E139 VanDerWaalsContact C-N 3.34Å; S137-Q140 PolarHBondContact O-N 2.7Å
138T50.2Low60.5Low92 Ų9297.5 Ų97.556%0.56453%0.525SS*.Hα-helixtrans-76.1-29.2173.3-51.70000110.6S136 Q140 A141S136-T138 PolarHBondContact O-N 3.44Å; T138-Q140 PolarHBondContact O-N 3.39Å; T138-A141 PolarHBondContact O-N 2.88Å
139E45.8Very low58.4Low154 Ų154105.6 Ų105.672%0.7256%0.559SS**Hα-helixtrans-58.2-35.4169.5-65.7-92128.600110.8S137 A141 L142 Y143S137-E139 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 3.3Å; E139-L142 PolarHBondContact O-N 3.4Å; E139-Y143 VanDerWaalsContact C-CE1 3.45Å; E139-Y143 HydrophobicContact CB-CE1 4.29Å; E139-Y143 WeakPolarHBondContact O-CD1 2.85Å; E139-Y143 VanDerWaalsContact O-CE1 3.26Å; E139-Y143 WeakPolarHBondContact O-CE1 3.49Å; E139-Y143 PolarHBondContact O-N 2.85Å
140Q46.1Very low56.4Low102 Ų102108.8 Ų108.848%0.47759%0.587SS.*Hα-helixtrans-70.2-27.1-176-46.2-146.9-13.800116.6S137 T138 Y143S137-Q140 PolarHBondContact O-N 2.7Å; T138-Q140 PolarHBondContact O-N 3.39Å; Q140-Y143 VanDerWaalsContact CA-CE2 3.49Å; Q140-Y143 HydrophobicContact CB-CE1 3.98Å; Q140-Y143 HydrophobicContact CB-CE2 3.74Å; Q140-Y143 VanDerWaalsContact CB-CZ 3.43Å; Q140-Y143 WeakPolarHBondContact CB-OH 3.37Å; Q140-Y143 HydrophobicContact CG-CE1 3.94Å; Q140-Y143 HydrophobicContact CG-CE2 4.18Å; Q140-Y143 VanDerWaalsContact CG-CZ 3.42Å; Q140-Y143 WeakPolarHBondContact CG-OH 2.85Å; Q140-Y143 PolarHBondContact NE2-OH 3.13Å; Q140-Y143 VanDerWaalsContact NE2-OH 3.08Å; Q140-Y143 WeakPolarHBondContact O-CD2 3.37Å; Q140-Y143 WeakPolarHBondContact O-CE2 3.26Å; Q140-Y143 PolarHBondContact OE1-OH 2.8Å
141A51.4Low54Low61 Ų61112.3 Ų112.350%0.50461%0.606SS.*Hα-helixtrans-75.1-32.9175.200000111.6T138 E139 F145T138-A141 PolarHBondContact O-N 2.88Å; E139-A141 PolarHBondContact O-N 3.3Å; A141-F145 PolarHBondContact O-N 3.35Å
142L47.4Very low52.1Low122 Ų122112.5 Ų112.564%0.63961%0.61SS**Hα-helixtrans-70.9-41.5-178.9-91.1145000112.1E139 F145E139-L142 PolarHBondContact O-N 3.4Å; L142-F145 PolarHBondContact O-N 3.23Å
143Y52.2Low50.2Low121 Ų121116.2 Ų116.248%0.47564%0.635SS.*Hα-helixtrans-77.3-21.3179.451.8-115.8000114.8E139 Q140E139-Y143 VanDerWaalsContact C-CE1 3.45Å; E139-Y143 HydrophobicContact CB-CE1 4.29Å; E139-Y143 WeakPolarHBondContact O-CD1 2.85Å; E139-Y143 VanDerWaalsContact O-CE1 3.26Å; E139-Y143 WeakPolarHBondContact O-CE1 3.49Å; E139-Y143 PolarHBondContact O-N 2.85Å; Q140-Y143 VanDerWaalsContact CA-CE2 3.49Å; Q140-Y143 HydrophobicContact CB-CE1 3.98Å; Q140-Y143 HydrophobicContact CB-CE2 3.74Å; Q140-Y143 VanDerWaalsContact CB-CZ 3.43Å; Q140-Y143 WeakPolarHBondContact CB-OH 3.37Å; Q140-Y143 HydrophobicContact CG-CE1 3.94Å; Q140-Y143 HydrophobicContact CG-CE2 4.18Å; Q140-Y143 VanDerWaalsContact CG-CZ 3.42Å; Q140-Y143 WeakPolarHBondContact CG-OH 2.85Å; Q140-Y143 PolarHBondContact NE2-OH 3.13Å; Q140-Y143 VanDerWaalsContact NE2-OH 3.08Å; Q140-Y143 WeakPolarHBondContact O-CD2 3.37Å; Q140-Y143 WeakPolarHBondContact O-CE2 3.26Å; Q140-Y143 PolarHBondContact OE1-OH 2.8Å
144K44Very low48.2Very low154 Ų154121.9 Ų121.967%0.6765%0.652SS**Hα-helixtrans-81.2-20170-90.6-175.8172.8178.80113.6S147K144-S147 PolarHBondContact O-OG 3.36Å
145F43.7Very low46.5Very low166 Ų166120.8 Ų120.873%0.72866%0.659SS**Hα-helixtrans-79.2-20.4175.6-114.4-86000113.4A141 L142A141-F145 PolarHBondContact O-N 3.35Å; L142-F145 PolarHBondContact O-N 3.23Å
146Q43.4Very low45.6Very low163 Ų163120 Ų12076%0.76267%0.665SS**Hα-helixtrans-89.1-18.5178.1-160.4164.47.900113.5N148Q146-N148 PolarHBondContact O-N 3.24Å
147S44.7Very low45.5Very low82 Ų82124.4 Ų124.457%0.57368%0.681SS**THydrogen-bonded Turntrans-83.9-3.8-177.762.80000115.3K144K144-S147 PolarHBondContact O-OG 3.36Å
148N45.6Very low45.1Very low140 Ų140126 Ų12675%0.74969%0.692SS**THydrogen-bonded Turntrans-104.27.2-177.3-8939.1000115.1Q146 A150Q146-N148 PolarHBondContact O-N 3.24Å; N148-A150 PolarHBondContact O-N 3.28Å
149F45.6Very low44.8Very low171 Ų171130.8 Ų130.875%0.7571%0.705SS**  trans-92.698.1167.7-68.8-75.7000109.5
150A47.8Very low45Very low79 Ų79131.8 Ų131.865%0.65372%0.715SS**  trans-55.5137.416100000109.2N148 I152N148-A150 PolarHBondContact O-N 3.28Å; A150-I152 PolarHBondContact O-N 3.49Å; A150-I152 VanDerWaalsContact O-N 3.12Å
151P39.1Very low45.2Very low130 Ų130134.2 Ų134.284%0.84473%0.731SS**  trans-68.7110.9172.7-5.820.6000108.4
152I47.7Very low44.8Very low148 Ų148139.4 Ų139.476%0.75975%0.749SS**  trans-84122167.936.2-179.3000108.7A150 F154A150-I152 PolarHBondContact O-N 3.49Å; A150-I152 VanDerWaalsContact O-N 3.12Å; I152-F154 PolarHBondContact O-N 3.45Å
153P43.8Very low44.5Very low117 Ų117139.8 Ų139.876%0.7676%0.757SS**  trans-80.3109.2174.131.3-29.5000108.4
154F41.7Very low44.4Very low187 Ų187137.1 Ų137.182%0.8277%0.766SS**  trans-10399.8166.3-122.7-87.4000109.9I152I152-F154 PolarHBondContact O-N 3.45Å
155S39.1Very low44.3Very low107 Ų107135.9 Ų135.975%0.74877%0.773SS**  trans-74.2123.8165.8-41.10000109.2
156G38.9Very low44.1Very low67 Ų67130.9 Ų130.969%0.69177%0.769SS**  trans70.999.5144.800000118.3
157I48.5Very low44Very low173 Ų173130.7 Ų130.789%0.88778%0.778SS**  -143.8128.2124.9-23.8168.9000108.4
158S40.5Very low43.8Very low109 Ų109130.6 Ų130.676%0.76279%0.79SS**  trans-80.2143.7-169.6-56.20000113.5
159K43.3Very low43.6Very low193 Ų193129.3 Ų129.384%0.83979%0.792SS**  trans41.4109.8142.8-77.4178.6173.6174.10118.8
160L51.1Low43.6Very low176 Ų176126.3 Ų126.392%0.92179%0.792SS**  trans-138.3113135.3-94.6165.6000108.6
161N48.9Very low43.4Very low152 Ų152126 Ų12681%0.81380%0.797SS**  trans-79.8125.4162.6-82.9-56.6000107.4
162L44.3Very low43.5Very low170 Ų170127.9 Ų127.989%0.8979%0.792SS**  trans-146.4132.6154.1-147.670.2000110.4
163V41.2Very low43.4Very low131 Ų131127 Ų12779%0.79480%0.799SS**  trans-34.5139.2-178.368.70000116.3
164G49.9Very low43.6Very low65 Ų65130.2 Ų130.267%0.6780%0.797SS**  trans-73.3168173.900000113.4
165P41.7Very low44Very low127 Ų127133 Ų13383%0.82580%0.802SS**  trans-117.5135.4156.231.4-17.9000111.1
166G40Very low44.3Very low61 Ų61133.8 Ų133.863%0.62981%0.805SS**  trans-72.9161.615700000111.2
167V40.7Very low44.4Very low159 Ų159133.9 Ų133.996%0.96481%0.806SS**  trans57.6124.7156.3-57.40000118.7
168G39.9Very low44.1Very low80 Ų80131.4 Ų131.483%0.82580%0.804SS**  trans168.2100.8167.100000112.9
169S41.2Very low44.6Very low113 Ų113131.9 Ų131.979%0.7981%0.805SS**  trans-62.9165.9177.6-58.20000114.2
170S45.3Very low45Very low108 Ų108128.6 Ų128.676%0.75580%0.803SS**  trans71.4111.8150.756.90000119.2
171G44.4Very low45.1Very low72 Ų72127 Ų12774%0.74280%0.801SS**  78.591.5120.600000116.9
172F40.4Very low44.8Very low171 Ų171126.4 Ų126.475%0.7580%0.797SS**  trans-128.3116.2155.5-78.8-82.8000110.4Y174F172-Y174 HydrophobicContact CD1-CD1 4.37Å; F172-Y174 AromaticContact CD1-CE1 3.87Å; F172-Y174 HydrophobicContact CD1-CE1 3.87Å; F172-Y174 AromaticContact CE1-CE1 3.96Å; F172-Y174 HydrophobicContact CE1-CE1 3.96Å
173S46.7Very low44.6Very low128 Ų128129.3 Ų129.390%0.89580%0.797SS**  trans-146.896.7151.6-70.60000106.4
174Y48.2Very low44.4Very low186 Ų186130.2 Ų130.273%0.72979%0.793SS**  trans-143.1126.1152.864.8-93.7000109.2F172F172-Y174 HydrophobicContact CD1-CD1 4.37Å; F172-Y174 AromaticContact CD1-CE1 3.87Å; F172-Y174 HydrophobicContact CD1-CE1 3.87Å; F172-Y174 AromaticContact CE1-CE1 3.96Å; F172-Y174 HydrophobicContact CE1-CE1 3.96Å
175W49.8Very low43.7Very low245 Ų245131.4 Ų131.493%0.92879%0.791SS**  trans-66.8139.8168.4-76.581.4000109.5
176P46.3Very low43.7Very low123 Ų123133.5 Ų133.580%0.79979%0.789SS**  trans-88.4120169.631.8-27.4000109.6
177G39.9Very low43.6Very low69 Ų69137.5 Ų137.571%0.71180%0.796SS**  trans-171.583.3177.900000114.1
178S43.2Very low43.5Very low122 Ų122136.4 Ų136.485%0.85378%0.784SS**  trans99.9147.8146.1-55.20000119.9
179P51.1Low43.9Very low119 Ų119141.1 Ų141.177%0.77379%0.785SS**  trans-102175.6-146.840.9-33.7000114.3
180P51.8Low44.6Very low124 Ų124140.7 Ų140.781%0.80578%0.779SS**  trans-90.2143.9-166.935.1-30.2000112.8
181T51.4Low45.1Very low142 Ų142141.5 Ų141.587%0.87178%0.782SS**  trans-115.1111.3160.352.60000109.7
182L43.5Very low45Very low140 Ų140141 Ų14173%0.73378%0.777SS**  trans-61.4135.7161.3-103134.6000109.7
183Y39.7Very low45.8Very low230 Ų230139.3 Ų139.390%0.90278%0.783SS**  -169.8154.9126.2-109-78.5000112.2
184H37.5Very low45.6Very low150 Ų150143.2 Ų143.269%0.69478%0.784SS**  trans-94.6141-163.8-79.964.9000114.4
185S35Very low45.2Very low91 Ų91138 Ų13864%0.63679%0.788SS**  61.4157.2126-163.60000122.8
186H41.5Very low45.1Very low171 Ų171131.9 Ų131.979%0.79278%0.782SS**  trans101.385.4160.8-49.3-80.2000119.9
187N38.5Very low45.2Very low145 Ų145133.1 Ų133.178%0.77579%0.787SS**  30.1125.1121-147.8-3.1000121.6
188L39.4Very low45.5Very low136 Ų136135.1 Ų135.171%0.71279%0.79SS**  148.2115.4126.5-80.3163.7000115.6
189Q48.1Very low45.2Very low178 Ų178133.9 Ų133.983%0.83279%0.787SS**  trans70.2160.1139.9-92.5-173.8-114.900124.3
190P55.2Low44.9Very low104 Ų104133.5 Ų133.568%0.67579%0.788SS**  trans-126.1-145.2-139.440.9-16.8000111.4
191P56.2Low44.6Very low125 Ų125135.6 Ų135.681%0.81279%0.786SS**  cis-116.4173.1-46.727.1-7.6000112.2
192G42Very low44.3Very low62 Ų62136 Ų13664%0.63978%0.782SS**  trans-147.2145.9165.200000111.4
193P56.3Low44.1Very low135 Ų135133.9 Ų133.988%0.87778%0.778SS**  trans-86138.8-150.8-119.3000113.2G195P193-G195 PolarHBondContact O-N 3.12Å
194F43.1Very low44Very low210 Ų210127.9 Ų127.992%0.92177%0.769SS**  trans-68.9113.4164.9-72.7-85.2000109.8S196F194-S196 PolarHBondContact O-N 3.34Å
195G38.9Very low44.2Very low78 Ų78127.6 Ų127.680%0.80478%0.777SS**  trans-70.5112.9162.500000109.8P193P193-G195 PolarHBondContact O-N 3.12Å
196S48.3Very low44.4Very low115 Ų115130.7 Ų130.780%0.80479%0.787SS**  trans-74.4131.9159.2-73.90000109.3F194F194-S196 PolarHBondContact O-N 3.34Å
197V49Very low44.4Very low149 Ų149129.2 Ų129.290%0.90379%0.785SS**  trans-146.4119.6138.4-82.50000109.8
198S45.3Very low44.5Very low112 Ų112130.5 Ų130.578%0.78379%0.79SS**  trans-71.4151162.5175.20000110
199A37.8Very low44.5Very low95 Ų95130.9 Ų130.979%0.78579%0.793SS**  179.5110.8123.700000110.3
200S45.1Very low44Very low112 Ų112128.7 Ų128.778%0.78379%0.786SS**  trans-69.4129.6161.423.90000110.4
201H46.1Very low43.5Very low167 Ų167132 Ų13277%0.77380%0.798SS**  trans-139.593.9159.6-156.8-111.2000110.1S203H201-S203 PolarHBondContact CE1-OG 3.29Å; H201-S203 PolarHBondContact ND1-OG 3.35Å; H201-S203 VanDerWaalsContact ND1-OG 3.13Å
202I43.1Very low43Very low152 Ų152133 Ų13378%0.77980%0.796SS**  trans-85.7123.5161-68.9172.7000105.8
203S39.4Very low42.9Very low94 Ų94136.3 Ų136.366%0.65780%0.799SS**  trans-126.7106.5162.7-50.60000108.3H201H201-S203 PolarHBondContact CE1-OG 3.29Å; H201-S203 PolarHBondContact ND1-OG 3.35Å; H201-S203 VanDerWaalsContact ND1-OG 3.13Å
204C38.6Very low42.6Very low105 Ų105137 Ų13771%0.70979%0.794SS**  trans-126133.7158.639.60000106.7
205V41Very low42.8Very low143 Ų143133.2 Ų133.287%0.86778%0.783SS**  trans160.9126.4133164.30000110.6
206N40.5Very low43.1Very low156 Ų156136.8 Ų136.883%0.83478%0.784SS**  trans-45.2141.1166.1-72.7-16.7000114.7
207N39.8Very low43.2Very low140 Ų140139.5 Ų139.575%0.74978%0.784SS**  trans-164.291.8139.8-165.820.1000112.7
208I41.3Very low43Very low172 Ų172143 Ų14388%0.88278%0.782SS**  trans-139.491.1148.8-56.7-179.8000107.2
209N40.8Very low43.1Very low145 Ų145148.6 Ų148.678%0.77580%0.803SS**  trans-86.5146.3154.9-85.4-34000108.8
210N37.4Very low43.4Very low131 Ų131151.3 Ų151.370%0.70180%0.804SS**  trans96.288.7146.6-14221.3000117.6
211L42.8Very low43.3Very low175 Ų175153.3 Ų153.392%0.91681%0.805SS**  trans-134.277.8142.1-131.387.4000108.4
212N45.7Very low43.1Very low144 Ų144152.6 Ų152.677%0.7781%0.807SS**  trans-81.1144155-85.4-30.9000108.2
213N39.9Very low43.1Very low132 Ų132152.6 Ų152.671%0.70681%0.808SS**  trans98.6106.5164.8-155.11000115.8
214I51.2Low43.3Very low151 Ų151156.3 Ų156.377%0.77482%0.818SS**  -160.5106.5128-83.7137.7000108.1
215N46.6Very low43.7Very low129 Ų129159.7 Ų159.769%0.6983%0.825SS**  trans49.7105.5137.4-59-33.4000121.2
216N45.5Very low43.8Very low154 Ų154160.9 Ų160.982%0.82482%0.822SS**  trans-69.1121.2138-76.6-67.3000109.4
217H51.2Low44.1Very low172 Ų172161.2 Ų161.280%0.79682%0.821SS**  trans-150.8104.8151-131.2100000108.4
218Y44.6Very low44.5Very low223 Ų223163 Ų16388%0.87583%0.827SS**  trans-88110.5157.9-84.9-86.7000106.7
219N46.7Very low44.8Very low228 Ų228162.2 Ų162.2100%1.21982%0.822SS**  trans-161.40144-130.8-1.5000108.5

Retrieved 219 of 219 residues in 273.5 ms (Link to these results)