A0A087YL20_POEFO Loading...

N-acyl-aliphatic-L-amino acid amidohydrolase

AlphaFold DB , UniProt , Accession A0A087YL20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 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
1M41.5Very low34.5Very low248 Ų248144.5 Ų144.5100%1.22283%0.833SS**  097.80-78.2178.2178.400107.6
2L35.4Very low34.1Very low166 Ų166138.5 Ų138.587%0.86983%0.826SS**  trans-88.3169.7150.4-75.3164.5000106.7
3P44.3Very low34.4Very low105 Ų105133.8 Ų133.868%0.68282%0.824SS**  cis-143.2176.114.228.6-2.9000117
4D33.3Very low35Very low137 Ų137137.4 Ų137.473%0.73383%0.826SS**  trans49.4132.3136.4-64.4-34.2000124.1
5K34.8Very low35.3Very low214 Ų214132.7 Ų132.793%0.9382%0.817SS**  trans-113.495.8156.8-77.5-173.4174.6-177.10109
6D37Very low36.3Very low158 Ų158129.2 Ų129.285%0.84580%0.8SS**  trans-85153148.9-67.8-43.5000107.6
7G28.4Very low37.7Very low65 Ų65125.8 Ų125.867%0.6778%0.78SS**  cis-178.5-167.813.100000108
8P32.5Very low39.3Very low125 Ų125130.1 Ų130.181%0.81279%0.789SS**  trans-83.9146.3-161.18.97.5000114.2I10P8-I10 PolarHBondContact O-N 3.32Å
9V30.7Very low41.7Very low144 Ų144127.8 Ų127.887%0.87380%0.796SS**  trans-73.6108.4172178.10000109.2G11V9-G11 PolarHBondContact O-N 2.81Å
10I32.2Very low44.2Very low158 Ų158122.4 Ų122.481%0.8176%0.76SS**  trans-73.4118.5168.3-63.8172.2000107.6P8 G12P8-I10 PolarHBondContact O-N 3.32Å; I10-G12 PolarHBondContact O-N 3.11Å
11G29.4Very low46.7Very low70 Ų70119.3 Ų119.372%0.72274%0.739SS**  trans-64.5114.8174.600000110.9V9V9-G11 PolarHBondContact O-N 2.81Å
12G30.3Very low49.4Very low72 Ų72112.3 Ų112.374%0.74271%0.711SS**  trans-68.2131.717500000111.5I10 Q14I10-G12 PolarHBondContact O-N 3.11Å; G12-Q14 PolarHBondContact O-N 3.41Å
13G37.9Very low52.4Low78 Ų78104.8 Ų104.880%0.80467%0.673SS**  trans-58132.4168.200000110.6G15G13-G15 PolarHBondContact O-N 3.3Å; G13-G15 VanDerWaalsContact O-N 3.09Å
14Q41.8Very low55Low183 Ų18399.8 Ų99.886%0.85564%0.64SS**  trans-67.5105.7168.3-75.9-178.6-12.100108.1G12G12-Q14 PolarHBondContact O-N 3.41Å
15G40.7Very low58.1Low67 Ų6794.3 Ų94.369%0.69161%0.613SS**PPolyproline II helixtrans-59.6143.6166.600000110.3G13G13-G15 PolarHBondContact O-N 3.3Å; G13-G15 VanDerWaalsContact O-N 3.09Å
16S51.1Low61.1Low77 Ų7784.8 Ų84.854%0.53857%0.572SS.*PPolyproline II helixtrans-50.3139.8171.149.70000110.6E18 S25S16-E18 PolarHBondContact O-N 3.42Å; S16-S25 WeakPolarHBondContact CB-OG 3.35Å
17P60Low64.1Low71 Ų7177.2 Ų77.246%0.46153%0.532SS..PPolyproline II helixtrans-51.6134.2171.2-20.430.4000109.9G19 E20P17-G19 PolarHBondContact O-N 3.14Å; P17-G19 VanDerWaalsContact O-N 3.08Å; P17-E20 PolarHBondContact O-N 3.39Å; P17-E20 VanDerWaalsContact O-N 3.08Å
18E66.5Low67.4Low203 Ų20375.6 Ų75.695%0.94951%0.505SS*.THydrogen-bonded Turntrans-49.7119.5-178.5-75.2-175.9160.200110.8S16S16-E18 PolarHBondContact O-N 3.42Å
19G84.6Confident70.6Confident88 Ų8873.2 Ų73.291%0.90748%0.483SS*.THydrogen-bonded Turntrans91.5017700000117P17P17-G19 PolarHBondContact O-N 3.14Å; P17-G19 VanDerWaalsContact O-N 3.08Å
20E92Very high73.8Confident19 Ų1966.3 Ų66.39%0.08944%0.442CS..  trans-76139.1173.6-177.6162.2-104.400112.2P17 V24 S25 R28 K111P17-E20 PolarHBondContact O-N 3.39Å; P17-E20 VanDerWaalsContact O-N 3.08Å; E20-V24 HydrophobicContact CG-CB 3.99Å; E20-V24 HydrophobicContact CG-CG1 3.89Å; E20-V24 WeakPolarHBondContact OE1-CG1 3.41Å; E20-S25 PolarHBondContact OE2-OG 2.9Å; E20-R28 VanDerWaalsContact CD-NH1 3.25Å; E20-R28 WeakPolarHBondContact OE1-CD 3.3Å; E20-R28 IonicContact OE1-CZ 2.66Å; E20-R28 IonicContact OE1-NE 2.64Å; E20-R28 IonicContact OE1-NH1 3.61Å; E20-R28 PolarHBondContact OE1-NH1 3.3Å; E20-R28 IonicContact OE2-CZ 2.82Å; E20-R28 IonicContact OE2-NH1 2.73Å; E20-R28 PolarHBondContact OE2-NH1 3.08Å; E20-K111 VanDerWaalsContact OE1-CE 3.23Å; E20-K111 WeakPolarHBondContact OE1-CE 3.25Å; E20-K111 IonicContact OE1-NZ 3.96Å; E20-K111 PolarHBondContact OE1-NZ 3.22Å
21D97.3Very high77Confident58 Ų5858.8 Ų58.831%0.3140%0.403SS..  trans-60.3132.4174.5-172.7-72000110.2S23 V24 S25 L396D21-S23 PolarHBondContact O-N 3.17Å; D21-S23 VanDerWaalsContact O-N 3.12Å; D21-S23 WeakPolarHBondContact OD1-CA 3.25Å; D21-S23 WeakPolarHBondContact OD1-CB 3.38Å; D21-S23 PolarHBondContact OD1-N 2.88Å; D21-S23 PolarHBondContact OD1-OG 2.76Å; D21-V24 HydrophobicContact CB-CB 4.29Å; D21-V24 HydrophobicContact CB-CG2 3.97Å; D21-V24 WeakPolarHBondContact O-CA 3.34Å; D21-V24 WeakPolarHBondContact O-CB 3.46Å; D21-V24 PolarHBondContact O-N 3.44Å; D21-S25 PolarHBondContact O-N 2.88Å; D21-L396 HydrophobicContact CB-CD1 4.29Å; D21-L396 HydrophobicContact CB-CD2 4.31Å
22P97.4Very high80.3Confident100 Ų10060 Ų6065%0.64939%0.386SS*.Hα-helixtrans-56.7-30.3-179.8-27.235.1000114S25 L26P22-S25 PolarHBondContact O-N 2.94Å; P22-L26 WeakPolarHBondContact O-CB 3.46Å; P22-L26 PolarHBondContact O-N 3.37Å
23S98.3Very high83.5Confident8 Ų858 Ų586%0.05636%0.358CS..Hα-helixtrans-68.1-39.3176.3-37.10000111.3D21 L26 F27 F395D21-S23 PolarHBondContact O-N 3.17Å; D21-S23 VanDerWaalsContact O-N 3.12Å; D21-S23 WeakPolarHBondContact OD1-CA 3.25Å; D21-S23 WeakPolarHBondContact OD1-CB 3.38Å; D21-S23 PolarHBondContact OD1-N 2.88Å; D21-S23 PolarHBondContact OD1-OG 2.76Å; S23-L26 PolarHBondContact O-N 3.24Å; S23-F27 WeakPolarHBondContact O-CB 2.84Å; S23-F27 PolarHBondContact O-N 2.85Å; S23-F395 WeakPolarHBondContact O-CE1 3.12Å
24V98.6Very high86.4Confident0 Ų059.4 Ų59.40%034%0.342CS..Hα-helixtrans-68.4-42.2175175.10000110.2E20 D21 L26 F27 R28 K111 I117 E392 F395 L396E20-V24 HydrophobicContact CG-CB 3.99Å; E20-V24 HydrophobicContact CG-CG1 3.89Å; E20-V24 WeakPolarHBondContact OE1-CG1 3.41Å; D21-V24 HydrophobicContact CB-CB 4.29Å; D21-V24 HydrophobicContact CB-CG2 3.97Å; D21-V24 WeakPolarHBondContact O-CA 3.34Å; D21-V24 WeakPolarHBondContact O-CB 3.46Å; D21-V24 PolarHBondContact O-N 3.44Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 2.74Å; V24-F27 PolarHBondContact O-N 3Å; V24-R28 HydrophobicContact CG1-CG 4.35Å; V24-R28 VanDerWaalsContact O-CG 3.27Å; V24-R28 WeakPolarHBondContact O-CG 3.45Å; V24-R28 PolarHBondContact O-N 3.45Å; V24-K111 HydrophobicContact CG1-CD 4.31Å; V24-I117 HydrophobicContact CG1-CD1 3.71Å; V24-E392 HydrophobicContact CG1-CB 4.42Å; V24-E392 HydrophobicContact CG2-CB 3.91Å; V24-F395 HydrophobicContact CG2-CD1 4.1Å; V24-F395 HydrophobicContact CG2-CE1 4.31Å; V24-L396 HydrophobicContact CG2-CD1 4.07Å; V24-L396 HydrophobicContact CG2-CD2 4.07Å; V24-L396 HydrophobicContact CG2-CG 4.02Å
25S98.4Very high89Confident23 Ų2350.7 Ų50.716%0.16130%0.301CS..Hα-helixtrans-57.2-46.4174.6-66.80000111.6S16 E20 D21 P22 R28 E29S16-S25 WeakPolarHBondContact CB-OG 3.35Å; E20-S25 PolarHBondContact OE2-OG 2.9Å; D21-S25 PolarHBondContact O-N 2.88Å; P22-S25 PolarHBondContact O-N 2.94Å; S25-R28 PolarHBondContact O-N 3.31Å; S25-E29 PolarHBondContact O-N 3.44Å
26L98.6Very high91.7Very high13 Ų1348.9 Ų48.97%0.06828%0.277CS..Hα-helixtrans-65.3-39.9178.3-172.569000112.4P22 S23 V24 E29 Y30 F48 I52 I130 I133 Q134P22-L26 WeakPolarHBondContact O-CB 3.46Å; P22-L26 PolarHBondContact O-N 3.37Å; S23-L26 PolarHBondContact O-N 3.24Å; V24-L26 VanDerWaalsContact C-N 3.33Å; V24-L26 PolarHBondContact O-N 2.74Å; L26-E29 WeakPolarHBondContact O-CB 3.2Å; L26-E29 PolarHBondContact O-N 3.35Å; L26-Y30 PolarHBondContact O-N 3.19Å; L26-F48 HydrophobicContact CD1-CE2 3.67Å; L26-F48 HydrophobicContact CD1-CZ 3.64Å; L26-F48 HydrophobicContact CG-CE2 4.41Å; L26-F48 HydrophobicContact CG-CZ 3.97Å; L26-I52 HydrophobicContact CD1-CD1 3.96Å; L26-I52 HydrophobicContact CD2-CD1 4Å; L26-I130 HydrophobicContact CD2-CD1 4.44Å; L26-I130 HydrophobicContact CD2-CG2 4.21Å; L26-I130 HydrophobicContact CG-CD1 4.36Å; L26-I130 HydrophobicContact CG-CG2 4.42Å; L26-I133 HydrophobicContact CD2-CG2 4.44Å; L26-Q134 VanDerWaalsContact CD2-NE2 3.25Å
27F98.8Very high93.9Very high0 Ų046.1 Ų46.10%026%0.256CS..Hα-helixtrans-61.7-46175.9176.6-144000111.7S23 V24 E29 Y30 L31 I117 K126 C127 I130 L390 F395S23-F27 WeakPolarHBondContact O-CB 2.84Å; S23-F27 PolarHBondContact O-N 2.85Å; V24-F27 PolarHBondContact O-N 3Å; F27-E29 VanDerWaalsContact C-N 3.3Å; F27-E29 PolarHBondContact O-N 3.32Å; F27-Y30 PolarHBondContact O-N 3.29Å; F27-L31 HydrophobicContact CD1-CD1 4.21Å; F27-L31 HydrophobicContact CD2-CD1 3.89Å; F27-L31 HydrophobicContact CD2-CG 3.86Å; F27-L31 HydrophobicContact CE1-CD1 3.92Å; F27-L31 HydrophobicContact CE2-CD1 3.55Å; F27-L31 HydrophobicContact CE2-CD2 3.77Å; F27-L31 HydrophobicContact CE2-CG 3.55Å; F27-L31 HydrophobicContact CG-CD1 4.2Å; F27-L31 HydrophobicContact CZ-CD1 3.59Å; F27-L31 HydrophobicContact CZ-CD2 4.23Å; F27-L31 HydrophobicContact CZ-CG 4.09Å; F27-L31 WeakPolarHBondContact O-CB 3.47Å; F27-L31 VanDerWaalsContact O-CG 3.32Å; F27-L31 WeakPolarHBondContact O-CG 3.46Å; F27-L31 PolarHBondContact O-N 2.83Å; F27-I117 HydrophobicContact CD1-CD1 3.82Å; F27-I117 HydrophobicContact CE1-CD1 4.01Å; F27-K126 HydrophobicContact CE2-CB 4.36Å; F27-C127 HydrophobicContact CE1-CB 4.38Å; F27-C127 VanDerWaalsContact CE2-CA 3.44Å; F27-C127 HydrophobicContact CE2-CB 3.8Å; F27-C127 HydrophobicContact CZ-CB 3.59Å; F27-I130 HydrophobicContact CB-CB 4.46Å; F27-I130 HydrophobicContact CB-CG2 4.14Å; F27-I130 HydrophobicContact CD2-CB 4.47Å; F27-I130 HydrophobicContact CD2-CG1 4.22Å; F27-L390 HydrophobicContact CE1-CD2 4.49Å; F27-F395 HydrophobicContact CB-CE1 3.92Å; F27-F395 HydrophobicContact CB-CE2 3.92Å; F27-F395 HydrophobicContact CB-CZ 3.53Å; F27-F395 HydrophobicContact CD1-CD1 4.07Å; F27-F395 AromaticContact CD1-CD2 3.68Å; F27-F395 HydrophobicContact CD1-CD2 3.68Å; F27-F395 HydrophobicContact CD1-CE1 4.18Å; F27-F395 AromaticContact CD1-CE2 3.79Å; F27-F395 HydrophobicContact CD1-CE2 3.79Å; F27-F395 AromaticContact CD1-CG 3.83Å; F27-F395 HydrophobicContact CD1-CG 3.83Å; F27-F395 HydrophobicContact CD1-CZ 4.05Å; F27-F395 HydrophobicContact CD2-CE2 4.17Å; F27-F395 HydrophobicContact CE1-CB 4.49Å; F27-F395 AromaticContact CE1-CD2 3.86Å; F27-F395 HydrophobicContact CE1-CD2 3.86Å; F27-F395 HydrophobicContact CE1-CE2 4.32Å; F27-F395 HydrophobicContact CE1-CG 4.11Å; F27-F395 HydrophobicContact CG-CD2 4.08Å; F27-F395 HydrophobicContact CG-CE1 4.33Å; F27-F395 AromaticContact CG-CE2 3.7Å; F27-F395 HydrophobicContact CG-CE2 3.7Å; F27-F395 AromaticContact CG-CZ 3.86Å; F27-F395 HydrophobicContact CG-CZ 3.86Å; F27-F395 HydrophobicContact CZ-CD2 4.41Å
28R98.8Very high95.5Very high30 Ų3047.5 Ų47.511%0.11327%0.265CS..Hα-helixtrans-64-34.8176.1-66.817469.5-159.92112.4E20 V24 S25 R32 A109 I117E20-R28 VanDerWaalsContact CD-NH1 3.25Å; E20-R28 WeakPolarHBondContact OE1-CD 3.3Å; E20-R28 IonicContact OE1-CZ 2.66Å; E20-R28 IonicContact OE1-NE 2.64Å; E20-R28 IonicContact OE1-NH1 3.61Å; E20-R28 PolarHBondContact OE1-NH1 3.3Å; E20-R28 IonicContact OE2-CZ 2.82Å; E20-R28 IonicContact OE2-NH1 2.73Å; E20-R28 PolarHBondContact OE2-NH1 3.08Å; V24-R28 HydrophobicContact CG1-CG 4.35Å; V24-R28 VanDerWaalsContact O-CG 3.27Å; V24-R28 WeakPolarHBondContact O-CG 3.45Å; V24-R28 PolarHBondContact O-N 3.45Å; S25-R28 PolarHBondContact O-N 3.31Å; R28-R32 VanDerWaalsContact O-CG 3.3Å; R28-R32 WeakPolarHBondContact O-CG 3.24Å; R28-R32 PolarHBondContact O-N 2.89Å; R28-A109 HydrophobicContact CB-CB 3.79Å; R28-A109 HydrophobicContact CG-CB 4.08Å; R28-A109 PolarHBondContact NE-O 2.93Å; R28-A109 PolarHBondContact NH2-O 2.83Å; R28-A109 WeakPolarHBondContact O-CB 3.45Å; R28-I117 HydrophobicContact CG-CD1 4.38Å; R28-I117 HydrophobicContact CG-CG2 3.83Å
29E98.6Very high96.8Very high75 Ų7544.7 Ų44.735%0.3526%0.256SS..Hα-helixtrans-60.4-49.6171.9-169.9-167.8162.900111.2S25 L26 F27 L31 R32 F48 R51S25-E29 PolarHBondContact O-N 3.44Å; L26-E29 WeakPolarHBondContact O-CB 3.2Å; L26-E29 PolarHBondContact O-N 3.35Å; F27-E29 VanDerWaalsContact C-N 3.3Å; F27-E29 PolarHBondContact O-N 3.32Å; E29-L31 VanDerWaalsContact C-N 3.35Å; E29-L31 PolarHBondContact O-N 3.26Å; E29-R32 PolarHBondContact O-N 3.24Å; E29-F48 HydrophobicContact CB-CE2 4.44Å; E29-F48 HydrophobicContact CG-CE2 4.23Å; E29-R51 IonicContact OE1-CZ 3.89Å; E29-R51 IonicContact OE1-NH2 2.87Å; E29-R51 PolarHBondContact OE1-NH2 2.93Å; E29-R51 IonicContact OE2-CZ 2.8Å; E29-R51 IonicContact OE2-NH2 2.74Å; E29-R51 PolarHBondContact OE2-NH2 3.29Å
30Y98.8Very high97.4Very high0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-66.7-35.5-178.4-168.5-129.9000113.2L26 F27 R32 L33 A45 F48 K126 T129 I130L26-Y30 PolarHBondContact O-N 3.19Å; F27-Y30 PolarHBondContact O-N 3.29Å; Y30-R32 VanDerWaalsContact C-N 3.26Å; Y30-R32 PolarHBondContact O-N 3.49Å; Y30-L33 HydrophobicContact CD2-CD1 3.63Å; Y30-L33 HydrophobicContact CD2-CG 4.41Å; Y30-L33 HydrophobicContact CE2-CD1 3.96Å; Y30-L33 WeakPolarHBondContact O-CB 3.5Å; Y30-L33 WeakPolarHBondContact O-CG 3.18Å; Y30-L33 PolarHBondContact O-N 3.37Å; Y30-A45 HydrophobicContact CE2-CB 4.43Å; Y30-F48 AromaticContact CD2-CD1 3.42Å; Y30-F48 HydrophobicContact CD2-CD1 3.42Å; Y30-F48 VanDerWaalsContact CD2-CD1 3.42Å; Y30-F48 HydrophobicContact CD2-CD2 4.34Å; Y30-F48 AromaticContact CD2-CE1 3.46Å; Y30-F48 HydrophobicContact CD2-CE1 3.46Å; Y30-F48 VanDerWaalsContact CD2-CE1 3.46Å; Y30-F48 HydrophobicContact CD2-CE2 4.35Å; Y30-F48 AromaticContact CD2-CG 3.9Å; Y30-F48 HydrophobicContact CD2-CG 3.9Å; Y30-F48 AromaticContact CD2-CZ 3.95Å; Y30-F48 HydrophobicContact CD2-CZ 3.95Å; Y30-F48 AromaticContact CE2-CD1 3.76Å; Y30-F48 HydrophobicContact CE2-CD1 3.76Å; Y30-F48 HydrophobicContact CE2-CE1 4.05Å; Y30-F48 HydrophobicContact CE2-CG 4.42Å; Y30-F48 HydrophobicContact CG-CD1 4.3Å; Y30-F48 AromaticContact CG-CE1 3.87Å; Y30-F48 HydrophobicContact CG-CE1 3.87Å; Y30-F48 HydrophobicContact CG-CZ 4.07Å; Y30-K126 HydrophobicContact CD1-CB 3.64Å; Y30-K126 HydrophobicContact CD1-CD 3.85Å; Y30-K126 HydrophobicContact CD1-CG 3.84Å; Y30-K126 HydrophobicContact CE1-CB 3.73Å; Y30-K126 HydrophobicContact CE1-CD 3.86Å; Y30-K126 HydrophobicContact CE1-CG 3.56Å; Y30-K126 HydrophobicContact CG-CD 4.43Å; Y30-K126 PolarHBondContact O-NZ 2.85Å; Y30-K126 VanDerWaalsContact O-NZ 3.16Å; Y30-T129 HydrophobicContact CD1-CG2 4.12Å; Y30-T129 HydrophobicContact CE1-CG2 3.47Å; Y30-T129 VanDerWaalsContact CE1-CG2 3.47Å; Y30-I130 HydrophobicContact CD1-CD1 3.76Å; Y30-I130 HydrophobicContact CD1-CG1 3.77Å; Y30-I130 HydrophobicContact CG-CD1 3.87Å; Y30-I130 HydrophobicContact CG-CG1 4.24Å
31L98.7Very high97.7Very high0 Ų043.2 Ų43.20%023%0.229CC..Hα-helixtrans-61.8-30.8173.9-77.2172.6000113.4F27 E29 L33 A109 I117 A119 K126F27-L31 HydrophobicContact CD1-CD1 4.21Å; F27-L31 HydrophobicContact CD2-CD1 3.89Å; F27-L31 HydrophobicContact CD2-CG 3.86Å; F27-L31 HydrophobicContact CE1-CD1 3.92Å; F27-L31 HydrophobicContact CE2-CD1 3.55Å; F27-L31 HydrophobicContact CE2-CD2 3.77Å; F27-L31 HydrophobicContact CE2-CG 3.55Å; F27-L31 HydrophobicContact CG-CD1 4.2Å; F27-L31 HydrophobicContact CZ-CD1 3.59Å; F27-L31 HydrophobicContact CZ-CD2 4.23Å; F27-L31 HydrophobicContact CZ-CG 4.09Å; F27-L31 WeakPolarHBondContact O-CB 3.47Å; F27-L31 VanDerWaalsContact O-CG 3.32Å; F27-L31 WeakPolarHBondContact O-CG 3.46Å; F27-L31 PolarHBondContact O-N 2.83Å; E29-L31 VanDerWaalsContact C-N 3.35Å; E29-L31 PolarHBondContact O-N 3.26Å; L31-L33 PolarHBondContact O-N 2.94Å; L31-A109 HydrophobicContact CB-CB 3.79Å; L31-A109 HydrophobicContact CD1-CB 4.13Å; L31-I117 HydrophobicContact CD1-CG2 3.7Å; L31-A119 HydrophobicContact CB-CB 3.94Å; L31-A119 HydrophobicContact CD1-CB 3.8Å; L31-A119 HydrophobicContact CD2-CB 3.81Å; L31-A119 HydrophobicContact CG-CB 4.06Å; L31-K126 HydrophobicContact CD2-CB 4.09Å; L31-K126 HydrophobicContact CD2-CD 4.16Å
32R98.7Very high97.6Very high94 Ų9441.4 Ų41.436%0.35522%0.218SC..THydrogen-bonded Turntrans-73.4-14.9178.9-70.3169.6-169.1126.93.3113.6R28 E29 Y30 K34 F107 S108 A109R28-R32 VanDerWaalsContact O-CG 3.3Å; R28-R32 WeakPolarHBondContact O-CG 3.24Å; R28-R32 PolarHBondContact O-N 2.89Å; E29-R32 PolarHBondContact O-N 3.24Å; Y30-R32 VanDerWaalsContact C-N 3.26Å; Y30-R32 PolarHBondContact O-N 3.49Å; R32-K34 PolarHBondContact O-N 2.88Å; R32-F107 WeakPolarHBondContact CA-O 3.45Å; R32-F107 VanDerWaalsContact CG-O 3.3Å; R32-F107 WeakPolarHBondContact CG-O 3.16Å; R32-S108 PolarHBondContact NE-O 3.31Å; R32-A109 HydrophobicContact CG-CB 4.08Å
33L98.4Very high97.6Very high32 Ų3241.4 Ų41.417%0.16821%0.212CC..SBendtrans-71.1117175.1-52.3-174000109Y30 L31 T35 A45 F48 K126Y30-L33 HydrophobicContact CD2-CD1 3.63Å; Y30-L33 HydrophobicContact CD2-CG 4.41Å; Y30-L33 HydrophobicContact CE2-CD1 3.96Å; Y30-L33 WeakPolarHBondContact O-CB 3.5Å; Y30-L33 WeakPolarHBondContact O-CG 3.18Å; Y30-L33 PolarHBondContact O-N 3.37Å; L31-L33 PolarHBondContact O-N 2.94Å; L33-T35 VanDerWaalsContact C-N 3.25Å; L33-T35 PolarHBondContact O-N 2.87Å; L33-A45 HydrophobicContact CD1-CB 4.46Å; L33-F48 HydrophobicContact CD1-CB 3.72Å; L33-F48 HydrophobicContact CD1-CD2 4.38Å; L33-F48 HydrophobicContact CD1-CG 4.05Å; L33-K126 PolarHBondContact O-NZ 2.88Å
34K97.5Very high97.6Very high106 Ų10642.2 Ų42.246%0.46122%0.218SC..  trans-82.168.5-175.8-63.1-172178-171.40111.3R32 V36 D41 F107R32-K34 PolarHBondContact O-N 2.88Å; K34-V36 HydrophobicContact CB-CG1 4.47Å; K34-V36 PolarHBondContact O-N 3.07Å; K34-D41 WeakPolarHBondContact O-CB 3.28Å; K34-D41 PolarHBondContact O-N 3.24Å; K34-F107 HydrophobicContact CD-CB 4.35Å; K34-F107 HydrophobicContact CD-CD2 4.34Å; K34-F107 HydrophobicContact CD-CG 4.25Å; K34-F107 HydrophobicContact CG-CB 3.98Å; K34-F107 HydrophobicContact CG-CD1 3.98Å; K34-F107 HydrophobicContact CG-CD2 4.37Å; K34-F107 HydrophobicContact CG-CG 3.85Å
35T97.9Very high97.5Very high0 Ų042.3 Ų42.30%022%0.219CC..  trans-80.540.2173.148.50000111.8L33 P40 D41 Y42 A45 T92 D93 V94 K126L33-T35 VanDerWaalsContact C-N 3.25Å; L33-T35 PolarHBondContact O-N 2.87Å; T35-P40 VanDerWaalsContact C-CB 3.46Å; T35-P40 WeakPolarHBondContact O-CB 3.27Å; T35-D41 WeakPolarHBondContact CG2-O 3.24Å; T35-Y42 HydrophobicContact CG2-CD1 4.48Å; T35-A45 HydrophobicContact CG2-CB 3.82Å; T35-T92 WeakPolarHBondContact CB-O 3.22Å; T35-T92 PolarHBondContact OG1-O 3.04Å; T35-D93 CarbonylContact O-C 3.54Å; T35-D93 VanDerWaalsContact O-CA 3.24Å; T35-D93 WeakPolarHBondContact O-CA 3.31Å; T35-V94 PolarHBondContact O-N 2.8Å; T35-K126 WeakPolarHBondContact OG1-CE 3.4Å; T35-K126 PolarHBondContact OG1-NZ 3.18Å
36V97.7Very high97.5Very high30 Ų3042.3 Ų42.318%0.18222%0.217CC..BIsolated β-bridgetrans-92.8137.5-172.362.80000111.9K34 D39 P40 V94 V95 F107K34-V36 HydrophobicContact CB-CG1 4.47Å; K34-V36 PolarHBondContact O-N 3.07Å; V36-D39 CarbonylContact O-C 3.24Å; V36-D39 VanDerWaalsContact O-C 3.31Å; V36-D39 PolarHBondContact O-N 3.29Å; V36-P40 WeakPolarHBondContact O-CA 3.44Å; V36-V94 WeakPolarHBondContact CA-O 3.38Å; V36-V94 HydrophobicContact CB-CG2 3.85Å; V36-V94 HydrophobicContact CG2-CG2 4.26Å; V36-V95 WeakPolarHBondContact CG2-O 3.27Å; V36-F107 HydrophobicContact CB-CE1 4.05Å; V36-F107 HydrophobicContact CB-CZ 3.78Å; V36-F107 HydrophobicContact CG1-CE1 4.38Å; V36-F107 HydrophobicContact CG1-CZ 3.93Å; V36-F107 HydrophobicContact CG2-CZ 3.94Å
37H95.4Very high97.5Very high19 Ų1948.5 Ų48.59%0.08824%0.239CC..THydrogen-bonded Turntrans-65.3152.1173.7-77.3-72.7000112.9D93 V94 P96H37-D93 IonicContact CD2-OD2 3.31Å; H37-D93 IonicContact CE1-OD2 2.74Å; H37-D93 IonicContact NE2-OD2 3.87Å; H37-D93 PolarHBondContact NE2-OD2 2.85Å; H37-V94 PolarHBondContact N-O 3.41Å; H37-P96 HydrophobicContact CB-CG 4.43Å
38P94.7Very high97.5Very high100 Ų10048.9 Ų48.965%0.64924%0.241SC*.THydrogen-bonded Turncis-83.5-10.95.733.5-36.2000115.4P40P38-P40 WeakPolarHBondContact O-CD 3.32Å
39D94.6Very high97.5Very high143 Ų14347.5 Ų47.577%0.76524%0.236SC*.SBendtrans-120.166.2-173.2-60-57.2000111.4V36 D41V36-D39 CarbonylContact O-C 3.24Å; V36-D39 VanDerWaalsContact O-C 3.31Å; V36-D39 PolarHBondContact O-N 3.29Å; D39-D41 PolarHBondContact O-N 3.29Å
40P96.5Very high97.5Very high16 Ų1646 Ų4610%0.10423%0.23CC..  trans-64.8131.2-17627.1-36.2000112.1T35 V36 P38 Y42T35-P40 VanDerWaalsContact C-CB 3.46Å; T35-P40 WeakPolarHBondContact O-CB 3.27Å; V36-P40 WeakPolarHBondContact O-CA 3.44Å; P38-P40 WeakPolarHBondContact O-CD 3.32Å; P40-Y42 HydrophobicContact CB-CD1 4.32Å; P40-Y42 HydrophobicContact CB-CD2 4.23Å; P40-Y42 HydrophobicContact CB-CE1 3.98Å; P40-Y42 HydrophobicContact CB-CE2 3.91Å; P40-Y42 HydrophobicContact CB-CG 4.42Å; P40-Y42 HydrophobicContact CG-CD2 3.78Å; P40-Y42 HydrophobicContact CG-CE1 4.15Å; P40-Y42 HydrophobicContact CG-CE2 3.21Å; P40-Y42 HydrophobicContact CG-CG 4.45Å; P40-Y42 VanDerWaalsContact CG-CZ 3.41Å; P40-Y42 PolarHBondContact O-N 2.76Å
41D97.3Very high97.5Very high61 Ų6149.6 Ų49.633%0.32624%0.244SC..  trans-7567.9173.5-175.25.3000112.1K34 T35 D39 D43 S44 A45K34-D41 WeakPolarHBondContact O-CB 3.28Å; K34-D41 PolarHBondContact O-N 3.24Å; T35-D41 WeakPolarHBondContact CG2-O 3.24Å; D39-D41 PolarHBondContact O-N 3.29Å; D41-D43 PolarHBondContact O-N 3Å; D41-S44 VanDerWaalsContact CG-CB 3.47Å; D41-S44 PolarHBondContact O-N 2.85Å; D41-S44 WeakPolarHBondContact OD1-CB 3.42Å; D41-S44 PolarHBondContact OD1-N 3.3Å; D41-S44 PolarHBondContact OD1-OG 3.41Å; D41-S44 WeakPolarHBondContact OD2-CB 3.38Å; D41-S44 PolarHBondContact OD2-OG 3.32Å; D41-A45 PolarHBondContact O-N 3.46Å
42Y96.4Very high97.5Very high19 Ų1949.6 Ų49.68%0.07524%0.244CC..Hα-helixtrans-63.2-29.4177.1-69.3-50.6000112.5T35 P40 S44 A45 L46 T92 D93 P156 D157T35-Y42 HydrophobicContact CG2-CD1 4.48Å; P40-Y42 HydrophobicContact CB-CD1 4.32Å; P40-Y42 HydrophobicContact CB-CD2 4.23Å; P40-Y42 HydrophobicContact CB-CE1 3.98Å; P40-Y42 HydrophobicContact CB-CE2 3.91Å; P40-Y42 HydrophobicContact CB-CG 4.42Å; P40-Y42 HydrophobicContact CG-CD2 3.78Å; P40-Y42 HydrophobicContact CG-CE1 4.15Å; P40-Y42 HydrophobicContact CG-CE2 3.21Å; P40-Y42 HydrophobicContact CG-CG 4.45Å; P40-Y42 VanDerWaalsContact CG-CZ 3.41Å; P40-Y42 PolarHBondContact O-N 2.76Å; Y42-S44 PolarHBondContact O-N 3.02Å; Y42-A45 WeakPolarHBondContact O-CB 3.45Å; Y42-A45 PolarHBondContact O-N 3.09Å; Y42-L46 WeakPolarHBondContact O-CB 3.16Å; Y42-L46 VanDerWaalsContact O-CG 3.29Å; Y42-L46 WeakPolarHBondContact O-CG 3.48Å; Y42-L46 PolarHBondContact O-N 3.23Å; Y42-T92 VanDerWaalsContact CE1-OG1 3.3Å; Y42-T92 WeakPolarHBondContact CE1-OG1 3.26Å; Y42-D93 HydrophobicContact CE1-CB 3.87Å; Y42-D93 VanDerWaalsContact OH-CB 3.32Å; Y42-D93 WeakPolarHBondContact OH-CB 3.37Å; Y42-D93 VanDerWaalsContact OH-CG 3.3Å; Y42-D93 PolarHBondContact OH-OD1 3.06Å; Y42-P156 HydrophobicContact CD1-CB 4.28Å; Y42-P156 HydrophobicContact CD2-CB 4.4Å; Y42-P156 HydrophobicContact CE1-CB 3.67Å; Y42-P156 HydrophobicContact CE2-CB 3.77Å; Y42-P156 WeakPolarHBondContact OH-CB 3.3Å; Y42-D157 PolarHBondContact OH-N 3.2Å; Y42-D157 VanDerWaalsContact OH-N 3.09Å
43D96.8Very high97.5Very high101 Ų10145.4 Ų45.454%0.5423%0.229SC..Hα-helixtrans-63.1-41.3179.3-77.7-15.1000112D41 L46 R47D41-D43 PolarHBondContact O-N 3Å; D43-L46 PolarHBondContact O-N 2.84Å; D43-R47 WeakPolarHBondContact O-CG 3.47Å; D43-R47 PolarHBondContact O-N 2.59Å
44S97.8Very high97.5Very high25 Ų2551.2 Ų51.218%0.17526%0.255CS..Hα-helixtrans-66.1-38.6173.9-69.60000112.2D41 Y42 R47 F48D41-S44 VanDerWaalsContact CG-CB 3.47Å; D41-S44 PolarHBondContact O-N 2.85Å; D41-S44 WeakPolarHBondContact OD1-CB 3.42Å; D41-S44 PolarHBondContact OD1-N 3.3Å; D41-S44 PolarHBondContact OD1-OG 3.41Å; D41-S44 WeakPolarHBondContact OD2-CB 3.38Å; D41-S44 PolarHBondContact OD2-OG 3.32Å; Y42-S44 PolarHBondContact O-N 3.02Å; S44-R47 PolarHBondContact O-N 2.92Å; S44-R47 PolarHBondContact OG-NH2 3.48Å; S44-F48 WeakPolarHBondContact O-CB 3.45Å; S44-F48 PolarHBondContact O-N 3.01Å
45A97.9Very high97.5Very high2 Ų250.9 Ų50.92%0.01726%0.256CS..Hα-helixtrans-63.4-42.7173.900000111.7Y30 L33 T35 D41 Y42 R47 F48 L49Y30-A45 HydrophobicContact CE2-CB 4.43Å; L33-A45 HydrophobicContact CD1-CB 4.46Å; T35-A45 HydrophobicContact CG2-CB 3.82Å; D41-A45 PolarHBondContact O-N 3.46Å; Y42-A45 WeakPolarHBondContact O-CB 3.45Å; Y42-A45 PolarHBondContact O-N 3.09Å; A45-R47 PolarHBondContact O-N 3.4Å; A45-F48 WeakPolarHBondContact O-CB 3.43Å; A45-F48 PolarHBondContact O-N 3.49Å; A45-L49 WeakPolarHBondContact O-CB 3.33Å; A45-L49 VanDerWaalsContact O-CG 3.27Å; A45-L49 WeakPolarHBondContact O-CG 3.21Å; A45-L49 PolarHBondContact O-N 3.31Å
46L97.9Very high97.6Very high23 Ų2351.2 Ų51.212%0.1226%0.257CS..Hα-helixtrans-61.2-44.9175.7-71.7175000111.9Y42 D43 F48 L49 D50 V70 S72Y42-L46 WeakPolarHBondContact O-CB 3.16Å; Y42-L46 VanDerWaalsContact O-CG 3.29Å; Y42-L46 WeakPolarHBondContact O-CG 3.48Å; Y42-L46 PolarHBondContact O-N 3.23Å; D43-L46 PolarHBondContact O-N 2.84Å; L46-F48 VanDerWaalsContact C-N 3.32Å; L46-F48 PolarHBondContact O-N 3.46Å; L46-L49 PolarHBondContact O-N 2.96Å; L46-D50 VanDerWaalsContact O-CG 3.31Å; L46-D50 PolarHBondContact O-N 2.89Å; L46-V70 HydrophobicContact CD1-CB 4.15Å; L46-V70 HydrophobicContact CD1-CG1 4.28Å; L46-V70 HydrophobicContact CD1-CG2 4.37Å; L46-V70 HydrophobicContact CD2-CB 4.47Å; L46-V70 HydrophobicContact CD2-CG1 4.09Å; L46-S72 WeakPolarHBondContact CD2-OG 3.36Å
47R98.6Very high97.6Very high142 Ų14257.7 Ų57.754%0.53629%0.286SS..Hα-helixtrans-61.8-40.1175.4-75.2-175.1-69-90.10.5112.4D43 S44 A45 R51D43-R47 WeakPolarHBondContact O-CG 3.47Å; D43-R47 PolarHBondContact O-N 2.59Å; S44-R47 PolarHBondContact O-N 2.92Å; S44-R47 PolarHBondContact OG-NH2 3.48Å; A45-R47 PolarHBondContact O-N 3.4Å; R47-R51 PolarHBondContact O-N 3.41Å
48F98.8Very high97.7Very high8 Ų857.4 Ų57.44%0.03529%0.285CS..Hα-helixtrans-61.6-48.5174.3173.6-87000110.7L26 E29 Y30 L33 S44 A45 L46 D50 R51 I52 I130L26-F48 HydrophobicContact CD1-CE2 3.67Å; L26-F48 HydrophobicContact CD1-CZ 3.64Å; L26-F48 HydrophobicContact CG-CE2 4.41Å; L26-F48 HydrophobicContact CG-CZ 3.97Å; E29-F48 HydrophobicContact CB-CE2 4.44Å; E29-F48 HydrophobicContact CG-CE2 4.23Å; Y30-F48 AromaticContact CD2-CD1 3.42Å; Y30-F48 HydrophobicContact CD2-CD1 3.42Å; Y30-F48 VanDerWaalsContact CD2-CD1 3.42Å; Y30-F48 HydrophobicContact CD2-CD2 4.34Å; Y30-F48 AromaticContact CD2-CE1 3.46Å; Y30-F48 HydrophobicContact CD2-CE1 3.46Å; Y30-F48 VanDerWaalsContact CD2-CE1 3.46Å; Y30-F48 HydrophobicContact CD2-CE2 4.35Å; Y30-F48 AromaticContact CD2-CG 3.9Å; Y30-F48 HydrophobicContact CD2-CG 3.9Å; Y30-F48 AromaticContact CD2-CZ 3.95Å; Y30-F48 HydrophobicContact CD2-CZ 3.95Å; Y30-F48 AromaticContact CE2-CD1 3.76Å; Y30-F48 HydrophobicContact CE2-CD1 3.76Å; Y30-F48 HydrophobicContact CE2-CE1 4.05Å; Y30-F48 HydrophobicContact CE2-CG 4.42Å; Y30-F48 HydrophobicContact CG-CD1 4.3Å; Y30-F48 AromaticContact CG-CE1 3.87Å; Y30-F48 HydrophobicContact CG-CE1 3.87Å; Y30-F48 HydrophobicContact CG-CZ 4.07Å; L33-F48 HydrophobicContact CD1-CB 3.72Å; L33-F48 HydrophobicContact CD1-CD2 4.38Å; L33-F48 HydrophobicContact CD1-CG 4.05Å; S44-F48 WeakPolarHBondContact O-CB 3.45Å; S44-F48 PolarHBondContact O-N 3.01Å; A45-F48 WeakPolarHBondContact O-CB 3.43Å; A45-F48 PolarHBondContact O-N 3.49Å; L46-F48 VanDerWaalsContact C-N 3.32Å; L46-F48 PolarHBondContact O-N 3.46Å; F48-D50 PolarHBondContact O-N 3.03Å; F48-R51 VanDerWaalsContact CE2-NH2 3.3Å; F48-R51 WeakPolarHBondContact O-CB 3.17Å; F48-R51 PolarHBondContact O-N 3.31Å; F48-I52 HydrophobicContact CD1-CG1 4.18Å; F48-I52 HydrophobicContact CE1-CD1 4.49Å; F48-I52 HydrophobicContact CE1-CG1 3.78Å; F48-I52 HydrophobicContact CZ-CD1 4.28Å; F48-I52 HydrophobicContact CZ-CG1 4.06Å; F48-I52 WeakPolarHBondContact O-CG1 3.29Å; F48-I52 PolarHBondContact O-N 2.67Å; F48-I52 VanDerWaalsContact O-N 3.08Å; F48-I130 HydrophobicContact CE1-CD1 3.83Å; F48-I130 HydrophobicContact CZ-CD1 3.75Å
49L98.6Very high97.9Very high2 Ų256.7 Ų56.71%0.0128%0.28CS..Hα-helixtrans-65.2-37.3179.6-67.4171.4000112.2A45 L46 R51 I52 A53 M60 M74 I133 F154A45-L49 WeakPolarHBondContact O-CB 3.33Å; A45-L49 VanDerWaalsContact O-CG 3.27Å; A45-L49 WeakPolarHBondContact O-CG 3.21Å; A45-L49 PolarHBondContact O-N 3.31Å; L46-L49 PolarHBondContact O-N 2.96Å; L49-R51 VanDerWaalsContact C-N 3.35Å; L49-R51 PolarHBondContact O-N 3.46Å; L49-I52 PolarHBondContact O-N 2.92Å; L49-A53 WeakPolarHBondContact O-CB 3.44Å; L49-A53 PolarHBondContact O-N 2.81Å; L49-M60 HydrophobicContact CB-CE 3.5Å; L49-M60 HydrophobicContact CB-SD 4.2Å; L49-M60 HydrophobicContact CD1-CE 4.38Å; L49-M74 HydrophobicContact CB-CE 3.74Å; L49-M74 HydrophobicContact CD2-CE 3.89Å; L49-M74 HydrophobicContact CG-CE 4.4Å; L49-M74 WeakPolarHBondContact O-CE 3.43Å; L49-I133 HydrophobicContact CD2-CD1 4.29Å; L49-F154 HydrophobicContact CD1-CB 3.73Å; L49-F154 HydrophobicContact CD1-CD1 4.32Å; L49-F154 HydrophobicContact CD1-CD2 3.77Å; L49-F154 HydrophobicContact CD1-CG 3.65Å; L49-F154 HydrophobicContact CD2-CD1 4.03Å; L49-F154 HydrophobicContact CD2-CD2 3.98Å; L49-F154 HydrophobicContact CD2-CE1 3.98Å; L49-F154 HydrophobicContact CD2-CE2 3.91Å; L49-F154 HydrophobicContact CD2-CG 4.03Å; L49-F154 HydrophobicContact CD2-CZ 3.9Å; L49-F154 HydrophobicContact CG-CD2 4.43Å
50D98.6Very high98.1Very high44 Ų4451.9 Ų51.924%0.23525%0.254CS..Hα-helixtrans-56.4-49173.3-77.3-33.9000111.3L46 F48 I52 A53 E54 M60 K62L46-D50 VanDerWaalsContact O-CG 3.31Å; L46-D50 PolarHBondContact O-N 2.89Å; F48-D50 PolarHBondContact O-N 3.03Å; D50-I52 VanDerWaalsContact C-N 3.31Å; D50-I52 PolarHBondContact O-N 2.85Å; D50-A53 WeakPolarHBondContact O-CB 3.27Å; D50-A53 PolarHBondContact O-N 3.45Å; D50-E54 WeakPolarHBondContact O-CG 3.13Å; D50-E54 PolarHBondContact O-N 3.42Å; D50-M60 VanDerWaalsContact OD1-SD 3.39Å; D50-K62 WeakPolarHBondContact OD1-CE 3.37Å; D50-K62 IonicContact OD1-NZ 3.95Å; D50-K62 PolarHBondContact OD1-NZ 2.91Å; D50-K62 IonicContact OD2-NZ 3.25Å; D50-K62 PolarHBondContact OD2-NZ 2.83Å
51R98.7Very high98.2Very high75 Ų7555.4 Ų55.428%0.28327%0.267SS..Hα-helixtrans-58.8-43.1176.3177.4177.161.882.5-7.5111.6E29 R47 F48 L49 E54 E55E29-R51 IonicContact OE1-CZ 3.89Å; E29-R51 IonicContact OE1-NH2 2.87Å; E29-R51 PolarHBondContact OE1-NH2 2.93Å; E29-R51 IonicContact OE2-CZ 2.8Å; E29-R51 IonicContact OE2-NH2 2.74Å; E29-R51 PolarHBondContact OE2-NH2 3.29Å; R47-R51 PolarHBondContact O-N 3.41Å; F48-R51 VanDerWaalsContact CE2-NH2 3.3Å; F48-R51 WeakPolarHBondContact O-CB 3.17Å; F48-R51 PolarHBondContact O-N 3.31Å; L49-R51 VanDerWaalsContact C-N 3.35Å; L49-R51 PolarHBondContact O-N 3.46Å; R51-E54 PolarHBondContact O-N 3.03Å; R51-E55 HydrophobicContact CG-CG 4.49Å; R51-E55 WeakPolarHBondContact CG-OE1 3.4Å; R51-E55 IonicContact CZ-OE1 2.59Å; R51-E55 IonicContact NH1-OE1 3.01Å; R51-E55 PolarHBondContact NH1-OE1 3.43Å; R51-E55 IonicContact NH1-OE2 2.82Å; R51-E55 WeakPolarHBondContact O-CB 3.28Å; R51-E55 VanDerWaalsContact O-CG 3.31Å; R51-E55 WeakPolarHBondContact O-CG 3.36Å; R51-E55 PolarHBondContact O-N 2.89Å
52I98.7Very high98.2Very high0 Ų057.1 Ų57.10%027%0.272CS..Hα-helixtrans-64.8-40.9177.2-64.2-55.1000111.9L26 F48 L49 D50 E54 E55 L56 M74 I133L26-I52 HydrophobicContact CD1-CD1 3.96Å; L26-I52 HydrophobicContact CD2-CD1 4Å; F48-I52 HydrophobicContact CD1-CG1 4.18Å; F48-I52 HydrophobicContact CE1-CD1 4.49Å; F48-I52 HydrophobicContact CE1-CG1 3.78Å; F48-I52 HydrophobicContact CZ-CD1 4.28Å; F48-I52 HydrophobicContact CZ-CG1 4.06Å; F48-I52 WeakPolarHBondContact O-CG1 3.29Å; F48-I52 PolarHBondContact O-N 2.67Å; F48-I52 VanDerWaalsContact O-N 3.08Å; L49-I52 PolarHBondContact O-N 2.92Å; D50-I52 VanDerWaalsContact C-N 3.31Å; D50-I52 PolarHBondContact O-N 2.85Å; I52-E54 VanDerWaalsContact C-N 3.33Å; I52-E54 PolarHBondContact O-N 3.25Å; I52-E55 PolarHBondContact O-N 2.77Å; I52-L56 HydrophobicContact CG2-CD1 3.81Å; I52-L56 HydrophobicContact CG2-CG 4.23Å; I52-L56 WeakPolarHBondContact O-CB 3.46Å; I52-L56 VanDerWaalsContact O-CG 3.3Å; I52-L56 WeakPolarHBondContact O-CG 3.16Å; I52-L56 PolarHBondContact O-N 3.14Å; I52-M74 HydrophobicContact CB-CE 4.22Å; I52-M74 HydrophobicContact CG2-CE 4.2Å; I52-M74 HydrophobicContact CG2-SD 4.33Å; I52-I133 HydrophobicContact CG2-CB 4.48Å; I52-I133 HydrophobicContact CG2-CD1 4.08Å; I52-I133 HydrophobicContact CG2-CG1 4.13Å; I52-I133 HydrophobicContact CG2-CG2 3.54Å
53A98.8Very high98.3Very high6 Ų656.8 Ų56.85%0.0527%0.271CS..Hα-helixtrans-61.8-42.3177.200000111.6L49 D50 L56 E57 L58 M60 M74L49-A53 WeakPolarHBondContact O-CB 3.44Å; L49-A53 PolarHBondContact O-N 2.81Å; D50-A53 WeakPolarHBondContact O-CB 3.27Å; D50-A53 PolarHBondContact O-N 3.45Å; A53-L56 PolarHBondContact O-N 3.31Å; A53-E57 PolarHBondContact O-N 3.45Å; A53-L58 PolarHBondContact O-N 2.96Å; A53-M60 HydrophobicContact CB-CB 3.77Å; A53-M60 HydrophobicContact CB-CG 4.42Å; A53-M60 HydrophobicContact CB-SD 3.95Å; A53-M74 HydrophobicContact CB-CE 3.96Å; A53-M74 HydrophobicContact CB-CG 4.1Å; A53-M74 HydrophobicContact CB-SD 4Å
54E98.5Very high98.3Very high153 Ų15357.8 Ų57.872%0.71527%0.273SS*.Hα-helixtrans-62.7-50174.2-71176.3-175.300111.7D50 R51 I52 L56 E57D50-E54 WeakPolarHBondContact O-CG 3.13Å; D50-E54 PolarHBondContact O-N 3.42Å; R51-E54 PolarHBondContact O-N 3.03Å; I52-E54 VanDerWaalsContact C-N 3.33Å; I52-E54 PolarHBondContact O-N 3.25Å; E54-L56 VanDerWaalsContact C-N 3.26Å; E54-L56 PolarHBondContact O-N 2.93Å; E54-E57 PolarHBondContact O-N 3Å
55E98.2Very high98.2Very high99 Ų9957.6 Ų57.646%0.46327%0.27SS..Hα-helixtrans-59.7-34.8177.8-74.9172.4-163.500113R51 I52 R137R51-E55 HydrophobicContact CG-CG 4.49Å; R51-E55 WeakPolarHBondContact CG-OE1 3.4Å; R51-E55 IonicContact CZ-OE1 2.59Å; R51-E55 IonicContact NH1-OE1 3.01Å; R51-E55 PolarHBondContact NH1-OE1 3.43Å; R51-E55 IonicContact NH1-OE2 2.82Å; R51-E55 WeakPolarHBondContact O-CB 3.28Å; R51-E55 VanDerWaalsContact O-CG 3.31Å; R51-E55 WeakPolarHBondContact O-CG 3.36Å; R51-E55 PolarHBondContact O-N 2.89Å; I52-E55 PolarHBondContact O-N 2.77Å; E55-R137 IonicContact OE2-CZ 3.35Å; E55-R137 IonicContact OE2-NH2 2.76Å; E55-R137 PolarHBondContact OE2-NH2 3.33Å
56L98.3Very high98Very high7 Ų759.1 Ų59.14%0.03728%0.281CS..THydrogen-bonded Turntrans-87.2-5.4177.9-67.2-178.9000113.2I52 A53 E54 L58 I133 V136 R137 K140I52-L56 HydrophobicContact CG2-CD1 3.81Å; I52-L56 HydrophobicContact CG2-CG 4.23Å; I52-L56 WeakPolarHBondContact O-CB 3.46Å; I52-L56 VanDerWaalsContact O-CG 3.3Å; I52-L56 WeakPolarHBondContact O-CG 3.16Å; I52-L56 PolarHBondContact O-N 3.14Å; A53-L56 PolarHBondContact O-N 3.31Å; E54-L56 VanDerWaalsContact C-N 3.26Å; E54-L56 PolarHBondContact O-N 2.93Å; L56-L58 VanDerWaalsContact C-N 3.29Å; L56-L58 HydrophobicContact CB-CD1 3.99Å; L56-L58 HydrophobicContact CB-CG 3.88Å; L56-L58 HydrophobicContact CD1-CD1 4.05Å; L56-L58 PolarHBondContact O-N 3.4Å; L56-I133 HydrophobicContact CD1-CG2 4.27Å; L56-V136 HydrophobicContact CD1-CG1 4.4Å; L56-R137 HydrophobicContact CD2-CB 3.64Å; L56-R137 HydrophobicContact CD2-CG 3.81Å; L56-K140 WeakPolarHBondContact O-CE 3.36Å; L56-K140 PolarHBondContact O-NZ 2.86Å
57E98.3Very high97.8Very high167 Ų16763.9 Ų63.978%0.7831%0.313SS*.THydrogen-bonded Turntrans5049.8-171.2-57.3175-159.500111.8A53 E54 K140A53-E57 PolarHBondContact O-N 3.45Å; E54-E57 PolarHBondContact O-N 3Å; E57-K140 PolarHBondContact O-NZ 3.5Å
58L98.4Very high97.5Very high12 Ų1259.2 Ų59.26%0.06331%0.309CS..  trans-115.2128.9176.4-64.1-179.9000109.8A53 L56 M60 M74 W76 V136 K140A53-L58 PolarHBondContact O-N 2.96Å; L56-L58 VanDerWaalsContact C-N 3.29Å; L56-L58 HydrophobicContact CB-CD1 3.99Å; L56-L58 HydrophobicContact CB-CG 3.88Å; L56-L58 HydrophobicContact CD1-CD1 4.05Å; L56-L58 PolarHBondContact O-N 3.4Å; L58-M60 PolarHBondContact O-N 3.35Å; L58-M74 HydrophobicContact CB-CB 4.3Å; L58-M74 HydrophobicContact CD1-CB 4.36Å; L58-W76 HydrophobicContact CD1-CB 4.48Å; L58-W76 HydrophobicContact CD2-CB 3.75Å; L58-W76 HydrophobicContact CD2-CG 3.95Å; L58-V136 HydrophobicContact CD1-CG1 4.11Å; L58-K140 HydrophobicContact CD2-CD 4.39Å
59P98.3Very high97.3Very high86 Ų8661 Ų6156%0.55832%0.315SS*.  trans-61.4129.5172.525.9-34.6000110.1M74 T75P59-M74 WeakPolarHBondContact O-CA 3.19Å; P59-T75 WeakPolarHBondContact CD-O 3.47Å; P59-T75 PolarHBondContact O-N 2.96Å
60M98.3Very high97.2Very high41 Ų4162.6 Ų62.620%0.20233%0.325CS..EExtended strand (participates in β ladder)trans-108.8127.4176.8-172.4174.1172.400110.3L49 D50 A53 L58 K62 S72 I73 M74L49-M60 HydrophobicContact CB-CE 3.5Å; L49-M60 HydrophobicContact CB-SD 4.2Å; L49-M60 HydrophobicContact CD1-CE 4.38Å; D50-M60 VanDerWaalsContact OD1-SD 3.39Å; A53-M60 HydrophobicContact CB-CB 3.77Å; A53-M60 HydrophobicContact CB-CG 4.42Å; A53-M60 HydrophobicContact CB-SD 3.95Å; L58-M60 PolarHBondContact O-N 3.35Å; M60-K62 HydrophobicContact CE-CG 4.41Å; M60-S72 VanDerWaalsContact CE-CB 3.43Å; M60-S72 WeakPolarHBondContact CE-OG 3.1Å; M60-I73 CarbonylContact C-O 3.5Å; M60-I73 VanDerWaalsContact CA-O 3.32Å; M60-I73 WeakPolarHBondContact CA-O 3.07Å; M60-M74 HydrophobicContact CB-CG 4.32Å; M60-M74 HydrophobicContact CG-CG 4.18Å; M60-M74 HydrophobicContact SD-CE 4.07Å; M60-M74 HydrophobicContact SD-CG 4.47Å
61K98.4Very high97.2Very high91 Ų9160.5 Ų60.540%0.39631%0.314SS..EExtended strand (participates in β ladder)trans-108.6137.3172.6-170.1170-175.6162.40109.6I63 S72 I73 E174K61-I63 HydrophobicContact CD-CD1 4.17Å; K61-I63 HydrophobicContact CD-CG1 4.32Å; K61-I63 HydrophobicContact CG-CD1 4.29Å; K61-I63 HydrophobicContact CG-CG1 4.04Å; K61-S72 CarbonylContact O-C 3.52Å; K61-S72 WeakPolarHBondContact O-CA 3.15Å; K61-I73 PolarHBondContact N-O 3.15Å; K61-I73 PolarHBondContact O-N 3.34Å; K61-E174 WeakPolarHBondContact CE-OE2 3.43Å; K61-E174 IonicContact NZ-OE1 3.68Å; K61-E174 PolarHBondContact NZ-OE1 3.44Å; K61-E174 IonicContact NZ-OE2 2.83Å; K61-E174 PolarHBondContact NZ-OE2 3.41Å
62K98.4Very high97.2Very high97 Ų9757 Ų5742%0.42230%0.301SS..EExtended strand (participates in β ladder)trans-117.8127.7177.3-60.4177.2-156.5178.80108.6D50 M60 V70 V71D50-K62 WeakPolarHBondContact OD1-CE 3.37Å; D50-K62 IonicContact OD1-NZ 3.95Å; D50-K62 PolarHBondContact OD1-NZ 2.91Å; D50-K62 IonicContact OD2-NZ 3.25Å; D50-K62 PolarHBondContact OD2-NZ 2.83Å; M60-K62 HydrophobicContact CE-CG 4.41Å; K62-V70 HydrophobicContact CB-CG1 3.73Å; K62-V70 HydrophobicContact CG-CG1 4.37Å; K62-V71 WeakPolarHBondContact CA-O 3.44Å
63I98.3Very high97.2Very high12 Ų1257.1 Ų57.16%0.06230%0.301CS..EExtended strand (participates in β ladder)trans-130109.6-174.4-56.5164.5000107.4K61 V65 V70 V71 I73 F169 E174K61-I63 HydrophobicContact CD-CD1 4.17Å; K61-I63 HydrophobicContact CD-CG1 4.32Å; K61-I63 HydrophobicContact CG-CD1 4.29Å; K61-I63 HydrophobicContact CG-CG1 4.04Å; I63-V65 HydrophobicContact CG2-CG1 4.15Å; I63-V65 PolarHBondContact O-N 3.08Å; I63-V70 CarbonylContact O-C 3.54Å; I63-V70 WeakPolarHBondContact O-CA 3.48Å; I63-V71 PolarHBondContact N-O 3.32Å; I63-V71 PolarHBondContact O-N 3.45Å; I63-I73 HydrophobicContact CD1-CD1 3.83Å; I63-F169 HydrophobicContact CB-CE2 4.33Å; I63-F169 HydrophobicContact CD1-CE2 3.62Å; I63-F169 HydrophobicContact CD1-CZ 3.8Å; I63-F169 HydrophobicContact CG2-CD2 4.49Å; I63-F169 HydrophobicContact CG2-CE2 4.1Å; I63-E174 HydrophobicContact CD1-CB 3.46Å; I63-E174 VanDerWaalsContact CD1-CB 3.46Å; I63-E174 HydrophobicContact CD1-CG 3.87Å; I63-E174 HydrophobicContact CG1-CG 4.47Å
64E97.1Very high97.2Very high122 Ų12256.8 Ų56.857%0.5730%0.299SS*.EExtended strand (participates in β ladder)trans-76.6112.8172.9-169.6172.3-157.500109.2C66 P67 G68 R69 V70E64-C66 WeakPolarHBondContact CG-O 3.29Å; E64-P67 WeakPolarHBondContact OE1-CA 3.1Å; E64-G68 PolarHBondContact OE1-N 3.39Å; E64-R69 WeakPolarHBondContact CA-O 3.49Å; E64-V70 HydrophobicContact CB-CG2 4.21Å; E64-V70 HydrophobicContact CG-CG2 4.32Å
65V95.8Very high97.2Very high21 Ų2151 Ų5113%0.12727%0.274CS..EExtended strand (participates in β ladder)trans-96-26.6-177.9-680000112.2I63 R69 V71 K164 T168 F169I63-V65 HydrophobicContact CG2-CG1 4.15Å; I63-V65 PolarHBondContact O-N 3.08Å; V65-R69 HydrophobicContact CG2-CB 4.25Å; V65-R69 WeakPolarHBondContact CG2-O 3.43Å; V65-R69 PolarHBondContact N-O 2.7Å; V65-V71 HydrophobicContact CG1-CG2 4.08Å; V65-V71 HydrophobicContact CG2-CG2 4.09Å; V65-K164 VanDerWaalsContact CG2-O 3.32Å; V65-K164 WeakPolarHBondContact CG2-O 3.38Å; V65-T168 HydrophobicContact CB-CG2 3.98Å; V65-F169 HydrophobicContact CG1-CB 3.97Å; V65-F169 HydrophobicContact CG1-CD2 3.56Å; V65-F169 HydrophobicContact CG1-CG 4.14Å
66C93.3Very high97.3Very high34 Ų3447.1 Ų47.123%0.2326%0.255CS..EExtended strand (participates in β ladder)trans-144.1159.3169-78.60000108.1E64 G68 R69 K164E64-C66 WeakPolarHBondContact CG-O 3.29Å; C66-G68 PolarHBondContact O-N 3.17Å; C66-G68 VanDerWaalsContact O-N 3.09Å; C66-R69 HydrophobicContact CB-CB 3.96Å; C66-R69 HydrophobicContact CB-CG 4.07Å; C66-R69 WeakPolarHBondContact O-CA 3.38Å; C66-R69 WeakPolarHBondContact O-CB 3.41Å; C66-R69 PolarHBondContact O-N 3.01Å; C66-K164 HydrophobicContact CB-CB 4.18Å
67P93.6Very high97.3Very high122 Ų12250.9 Ų50.979%0.79228%0.278SS*.THydrogen-bonded Turntrans-51.2118.8177.7-28.235.8000112.4E64 R69E64-P67 WeakPolarHBondContact OE1-CA 3.1Å; P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 3.46Å
68G91.4Very high97.3Very high44 Ų4443.3 Ų43.345%0.45425%0.245SC..THydrogen-bonded Turntrans72.214.6-177.800000115.2E64 C66E64-G68 PolarHBondContact OE1-N 3.39Å; C66-G68 PolarHBondContact O-N 3.17Å; C66-G68 VanDerWaalsContact O-N 3.09Å
69R94.8Very high97.3Very high46 Ų4646.9 Ų46.917%0.17427%0.267CS..EExtended strand (participates in β ladder)trans-121.496.5176.5-62-64.1-173.7-104.88.5109.1E64 V65 C66 P67 P156 D157 K164E64-R69 WeakPolarHBondContact CA-O 3.49Å; V65-R69 HydrophobicContact CG2-CB 4.25Å; V65-R69 WeakPolarHBondContact CG2-O 3.43Å; V65-R69 PolarHBondContact N-O 2.7Å; C66-R69 HydrophobicContact CB-CB 3.96Å; C66-R69 HydrophobicContact CB-CG 4.07Å; C66-R69 WeakPolarHBondContact O-CA 3.38Å; C66-R69 WeakPolarHBondContact O-CB 3.41Å; C66-R69 PolarHBondContact O-N 3.01Å; P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 3.46Å; R69-P156 HydrophobicContact CB-CG 3.94Å; R69-D157 IonicContact CZ-OD1 2.76Å; R69-D157 IonicContact NE-OD1 3.17Å; R69-D157 PolarHBondContact NE-OD1 3.05Å; R69-D157 IonicContact NH2-OD1 3.84Å; R69-D157 PolarHBondContact NH2-OD1 2.96Å; R69-K164 HydrophobicContact CG-CB 4.29Å
70V97.8Very high97.2Very high35 Ų3548.6 Ų48.621%0.21227%0.266CS..EExtended strand (participates in β ladder)trans-106.5118.3-175.9179.30000110L46 K62 I63 E64L46-V70 HydrophobicContact CD1-CB 4.15Å; L46-V70 HydrophobicContact CD1-CG1 4.28Å; L46-V70 HydrophobicContact CD1-CG2 4.37Å; L46-V70 HydrophobicContact CD2-CB 4.47Å; L46-V70 HydrophobicContact CD2-CG1 4.09Å; K62-V70 HydrophobicContact CB-CG1 3.73Å; K62-V70 HydrophobicContact CG-CG1 4.37Å; I63-V70 CarbonylContact O-C 3.54Å; I63-V70 WeakPolarHBondContact O-CA 3.48Å; E64-V70 HydrophobicContact CB-CG2 4.21Å; E64-V70 HydrophobicContact CG-CG2 4.32Å
71V98.6Very high97.1Very high0 Ų050.2 Ų50.20%028%0.28CS..EExtended strand (participates in β ladder)trans-81.3128.5166.3178.90000108.7K62 I63 V65 I73 M153 V155 F169K62-V71 WeakPolarHBondContact CA-O 3.44Å; I63-V71 PolarHBondContact N-O 3.32Å; I63-V71 PolarHBondContact O-N 3.45Å; V65-V71 HydrophobicContact CG1-CG2 4.08Å; V65-V71 HydrophobicContact CG2-CG2 4.09Å; V71-I73 HydrophobicContact CG1-CD1 4.39Å; V71-I73 HydrophobicContact CG1-CG1 4.13Å; V71-M153 HydrophobicContact CG1-CG 3.78Å; V71-M153 HydrophobicContact CG1-SD 4Å; V71-V155 HydrophobicContact CG1-CG2 4.09Å; V71-V155 HydrophobicContact CG2-CG1 4.5Å; V71-V155 HydrophobicContact CG2-CG2 4.47Å; V71-F169 HydrophobicContact CB-CD1 4.48Å; V71-F169 HydrophobicContact CB-CD2 4.46Å; V71-F169 HydrophobicContact CB-CG 4.4Å; V71-F169 HydrophobicContact CG1-CD1 3.9Å; V71-F169 HydrophobicContact CG1-CE1 3.86Å; V71-F169 HydrophobicContact CG1-CG 4.3Å; V71-F169 HydrophobicContact CG1-CZ 4.25Å; V71-F169 HydrophobicContact CG2-CB 4.09Å; V71-F169 HydrophobicContact CG2-CD1 4.28Å; V71-F169 HydrophobicContact CG2-CD2 4.3Å; V71-F169 HydrophobicContact CG2-CG 3.95Å
72S98.5Very high97Very high1 Ų151.5 Ų51.51%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-113.4136.2179.5-70.30000112L46 M60 K61 M153 F154L46-S72 WeakPolarHBondContact CD2-OG 3.36Å; M60-S72 VanDerWaalsContact CE-CB 3.43Å; M60-S72 WeakPolarHBondContact CE-OG 3.1Å; K61-S72 CarbonylContact O-C 3.52Å; K61-S72 WeakPolarHBondContact O-CA 3.15Å; S72-M153 CarbonylContact O-C 3.56Å; S72-M153 WeakPolarHBondContact O-CA 3.33Å; S72-F154 PolarHBondContact N-O 3.42Å; S72-F154 PolarHBondContact O-N 2.87Å
73I98.9Very high96.9Very high3 Ų347.8 Ų47.82%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-135.5112.6-171.6-51.7170000109.8M60 K61 I63 V71 H151 L152 M153 F169 L178M60-I73 CarbonylContact C-O 3.5Å; M60-I73 VanDerWaalsContact CA-O 3.32Å; M60-I73 WeakPolarHBondContact CA-O 3.07Å; K61-I73 PolarHBondContact N-O 3.15Å; K61-I73 PolarHBondContact O-N 3.34Å; I63-I73 HydrophobicContact CD1-CD1 3.83Å; V71-I73 HydrophobicContact CG1-CD1 4.39Å; V71-I73 HydrophobicContact CG1-CG1 4.13Å; I73-H151 HydrophobicContact CG2-CB 4.1Å; I73-L152 CarbonylContact C-O 3.58Å; I73-L152 WeakPolarHBondContact CA-O 3.48Å; I73-M153 HydrophobicContact CD1-SD 4.5Å; I73-M153 HydrophobicContact CG1-CG 4.05Å; I73-M153 HydrophobicContact CG1-SD 4.41Å; I73-F169 HydrophobicContact CD1-CE1 4.01Å; I73-F169 HydrophobicContact CD1-CZ 3.65Å; I73-L178 HydrophobicContact CD1-CD1 3.99Å; I73-L178 HydrophobicContact CD1-CD2 4.06Å; I73-L178 HydrophobicContact CG2-CD2 4.09Å
74M98.9Very high96.9Very high0 Ų050.7 Ų50.70%029%0.292CS..EExtended strand (participates in β ladder)trans-91.3131.1167.7-61.2177.2-163.100109.4L49 I52 A53 L58 P59 M60 H151 L152 F154L49-M74 HydrophobicContact CB-CE 3.74Å; L49-M74 HydrophobicContact CD2-CE 3.89Å; L49-M74 HydrophobicContact CG-CE 4.4Å; L49-M74 WeakPolarHBondContact O-CE 3.43Å; I52-M74 HydrophobicContact CB-CE 4.22Å; I52-M74 HydrophobicContact CG2-CE 4.2Å; I52-M74 HydrophobicContact CG2-SD 4.33Å; A53-M74 HydrophobicContact CB-CE 3.96Å; A53-M74 HydrophobicContact CB-CG 4.1Å; A53-M74 HydrophobicContact CB-SD 4Å; L58-M74 HydrophobicContact CB-CB 4.3Å; L58-M74 HydrophobicContact CD1-CB 4.36Å; P59-M74 WeakPolarHBondContact O-CA 3.19Å; M60-M74 HydrophobicContact CB-CG 4.32Å; M60-M74 HydrophobicContact CG-CG 4.18Å; M60-M74 HydrophobicContact SD-CE 4.07Å; M60-M74 HydrophobicContact SD-CG 4.47Å; M74-H151 WeakPolarHBondContact O-CA 3.42Å; M74-L152 HydrophobicContact CB-CB 4.33Å; M74-L152 PolarHBondContact N-O 2.89Å; M74-L152 PolarHBondContact O-N 2.82Å; M74-F154 HydrophobicContact CE-CE2 3.7Å; M74-F154 HydrophobicContact CE-CZ 4.23Å; M74-F154 HydrophobicContact CG-CE2 4.04Å; M74-F154 HydrophobicContact SD-CE2 3.99Å; M74-F154 HydrophobicContact SD-CZ 4.38Å
75T98.9Very high97Very high30 Ų3045 Ų4518%0.18427%0.265CS..EExtended strand (participates in β ladder)trans-114.9120.5-176.1-610000112.2P59 T149 H151P59-T75 WeakPolarHBondContact CD-O 3.47Å; P59-T75 PolarHBondContact O-N 2.96Å; T75-T149 HydrophobicContact CG2-CG2 3.73Å; T75-H151 VanDerWaalsContact CG2-CE1 3.45Å; T75-H151 WeakPolarHBondContact CG2-CE1 2.88Å; T75-H151 PolarHBondContact OG1-CE1 3.16Å; T75-H151 PolarHBondContact OG1-ND1 3.44Å
76W98.7Very high97.1Very high19 Ų1944 Ų447%0.07226%0.26CS..EExtended strand (participates in β ladder)trans-102.396168.8-170.111.7000110.2L58 G78 V136 L139 K140 W144 P146 V150L58-W76 HydrophobicContact CD1-CB 4.48Å; L58-W76 HydrophobicContact CD2-CB 3.75Å; L58-W76 HydrophobicContact CD2-CG 3.95Å; W76-G78 PolarHBondContact O-N 2.74Å; W76-V136 HydrophobicContact CD2-CG1 4.43Å; W76-V136 HydrophobicContact CE3-CB 4.47Å; W76-V136 HydrophobicContact CE3-CG1 3.74Å; W76-V136 HydrophobicContact CE3-CG2 4.19Å; W76-V136 HydrophobicContact CZ3-CB 4.32Å; W76-V136 HydrophobicContact CZ3-CG1 3.88Å; W76-V136 HydrophobicContact CZ3-CG2 4.2Å; W76-L139 HydrophobicContact CH2-CB 3.71Å; W76-L139 HydrophobicContact CZ3-CB 4.18Å; W76-L139 HydrophobicContact CZ3-CD1 4.39Å; W76-K140 HydrophobicContact CD2-CG 4.45Å; W76-K140 HydrophobicContact CH2-CG 3.67Å; W76-K140 HydrophobicContact CZ2-CD 4.23Å; W76-K140 HydrophobicContact CZ2-CG 3.36Å; W76-K140 HydrophobicContact CZ3-CG 4.37Å; W76-W144 AromaticContact CH2-CE3 3.51Å; W76-W144 HydrophobicContact CH2-CE3 3.51Å; W76-W144 AromaticContact CH2-CZ3 3.73Å; W76-W144 HydrophobicContact CH2-CZ3 3.73Å; W76-W144 HydrophobicContact CZ2-CE3 4.06Å; W76-W144 HydrophobicContact CZ2-CZ3 4.38Å; W76-W144 WeakPolarHBondContact CZ2-O 3.32Å; W76-W144 HydrophobicContact CZ3-CE3 4.13Å; W76-W144 AromaticContact CZ3-CZ3 3.87Å; W76-W144 HydrophobicContact CZ3-CZ3 3.87Å; W76-P146 HydrophobicContact CD2-CG 3.92Å; W76-P146 VanDerWaalsContact CE2-CD 3.45Å; W76-P146 HydrophobicContact CE3-CG 4.25Å; W76-P146 HydrophobicContact CG-CG 4.21Å; W76-V150 HydrophobicContact CB-CB 4.35Å; W76-V150 PolarHBondContact N-O 2.83Å; W76-V150 PolarHBondContact O-N 2.84Å
77T98.6Very high97.4Very high85 Ų8542.4 Ų42.452%0.52125%0.249SC..  trans-62.1126.8-177.1-52.90000111.7P81T77-P81 HydrophobicContact CG2-CB 4.08Å
78G98.1Very high97.7Very high8 Ų836.6 Ų36.68%0.08221%0.211CC..  trans-78.5170.1177.400000113.5W76 K80 P146 T149W76-G78 PolarHBondContact O-N 2.74Å; G78-K80 PolarHBondContact O-N 2.82Å; G78-P146 CarbonylContact C-O 3.58Å; G78-P146 WeakPolarHBondContact CA-O 3.39Å; G78-T149 PolarHBondContact N-OG1 3.06Å
79T98.1Very high98Very high87 Ų8734.5 Ų34.553%0.53419%0.189SC..SBendtrans-70.7-19.117659.80000113.1K145 P146 T147T79-K145 HydrophobicContact CG2-CB 4.09Å; T79-P146 PolarHBondContact N-O 2.97Å; T79-T147 PolarHBondContact N-O 2.9Å
80K97.3Very high98.2Very high122 Ų12232.3 Ų32.353%0.5318%0.181SC..SBendtrans-127.975.6173.7-63.4-174.4179.2-176.40110.4G78 T82 L83 T147G78-K80 PolarHBondContact O-N 2.82Å; K80-T82 PolarHBondContact O-N 3Å; K80-T82 VanDerWaalsContact O-N 3.14Å; K80-L83 HydrophobicContact CB-CD1 3.77Å; K80-L83 HydrophobicContact CB-CG 3.94Å; K80-L83 HydrophobicContact CD-CD1 3.93Å; K80-L83 WeakPolarHBondContact O-CB 3.32Å; K80-L83 PolarHBondContact O-N 3.37Å; K80-T147 HydrophobicContact CB-CG2 4.34Å; K80-T147 HydrophobicContact CD-CG2 3.99Å; K80-T147 HydrophobicContact CG-CG2 4.22Å; K80-T147 PolarHBondContact N-O 2.76Å
81P96.1Very high98.2Very high75 Ų7530.7 Ų30.749%0.48717%0.172SC..THydrogen-bonded Turntrans-70.4-8.9-171.429.1-36.4000114.8T77T77-P81 HydrophobicContact CG2-CB 4.08Å
82T95.5Very high98.2Very high119 Ų11931.1 Ų31.173%0.7317%0.174SC*.THydrogen-bonded Turntrans-77.4-22.6174.155.30000112.9K80 N179K80-T82 PolarHBondContact O-N 3Å; K80-T82 VanDerWaalsContact O-N 3.14Å; T82-N179 PolarHBondContact O-ND2 3.25Å
83L97.4Very high98.1Very high18 Ų1831.1 Ų31.19%0.09417%0.174CC..SBendtrans-67154.9174.1-64.2-177.6000110.4K80 S85 T147 R148 N179 A414 E418K80-L83 HydrophobicContact CB-CD1 3.77Å; K80-L83 HydrophobicContact CB-CG 3.94Å; K80-L83 HydrophobicContact CD-CD1 3.93Å; K80-L83 WeakPolarHBondContact O-CB 3.32Å; K80-L83 PolarHBondContact O-N 3.37Å; L83-S85 PolarHBondContact O-N 2.82Å; L83-T147 HydrophobicContact CD1-CG2 4.21Å; L83-R148 HydrophobicContact CB-CG 4.01Å; L83-R148 HydrophobicContact CD1-CG 4.11Å; L83-N179 PolarHBondContact O-ND2 3.44Å; L83-A414 HydrophobicContact CD2-CB 3.76Å; L83-E418 HydrophobicContact CD2-CB 4.41Å
84K97.9Very high98.1Very high74 Ų7431 Ų3132%0.32217%0.173SC..PPolyproline II helixtrans-57.8137.3172.9-64.8-72.2175.7-174.60111.1R148 N179 E418K84-R148 VanDerWaalsContact O-CD 3.31Å; K84-R148 WeakPolarHBondContact O-CD 3.02Å; K84-R148 WeakPolarHBondContact O-CG 3.27Å; K84-R148 PolarHBondContact O-NH1 3.31Å; K84-N179 CarbonylContact C-O 3.48Å; K84-N179 WeakPolarHBondContact CA-O 3.46Å; K84-N179 VanDerWaalsContact CD-O 3.3Å; K84-N179 WeakPolarHBondContact CD-O 3.43Å; K84-N179 VanDerWaalsContact CD-OD1 3.25Å; K84-N179 WeakPolarHBondContact CD-OD1 3.49Å; K84-N179 WeakPolarHBondContact CE-OD1 3.33Å; K84-N179 PolarHBondContact NZ-OD1 2.98Å; K84-E418 WeakPolarHBondContact CB-OE1 3.21Å; K84-E418 VanDerWaalsContact CG-CD 3.48Å; K84-E418 HydrophobicContact CG-CG 3.72Å; K84-E418 WeakPolarHBondContact CG-OE1 3.48Å
85S98.7Very high98Very high1 Ų131.9 Ų31.91%0.00718%0.179CC..EExtended strand (participates in β ladder)trans-80.7165-177.974.50000112.1L83 T149 H151 L178 N179 I180 G181L83-S85 PolarHBondContact O-N 2.82Å; S85-T149 CarbonylContact C-O 3.49Å; S85-T149 VanDerWaalsContact CA-O 3.22Å; S85-T149 WeakPolarHBondContact CA-O 3.4Å; S85-T149 VanDerWaalsContact CB-O 3.24Å; S85-T149 WeakPolarHBondContact CB-O 3.48Å; S85-H151 PolarHBondContact OG-CD2 3.22Å; S85-H151 VanDerWaalsContact OG-CD2 3.31Å; S85-L178 WeakPolarHBondContact CB-O 3.43Å; S85-L178 PolarHBondContact OG-O 2.93Å; S85-N179 PolarHBondContact N-O 3.28Å; S85-N179 PolarHBondContact OG-O 2.83Å; S85-I180 VanDerWaalsContact OG-CA 3.28Å; S85-I180 WeakPolarHBondContact OG-CA 3.38Å; S85-G181 PolarHBondContact O-N 2.82Å
86V98.9Very high97.8Very high1 Ų134.1 Ų34.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-103131.6166.61780000108.7L88 T149 V150 H151 F182 W334 L409 T410V86-L88 HydrophobicContact CG1-CD2 4.36Å; V86-T149 PolarHBondContact N-O 3.04Å; V86-V150 WeakPolarHBondContact O-CA 3.47Å; V86-H151 PolarHBondContact O-N 3.31Å; V86-F182 WeakPolarHBondContact CA-O 3.45Å; V86-W334 HydrophobicContact CG2-CH2 4.11Å; V86-W334 HydrophobicContact CG2-CZ3 3.75Å; V86-L409 HydrophobicContact CG1-CB 4.3Å; V86-L409 HydrophobicContact CG1-CD1 4.46Å; V86-L409 HydrophobicContact CG2-CB 4.14Å; V86-T410 HydrophobicContact CB-CG2 4.33Å; V86-T410 HydrophobicContact CG2-CG2 4.03Å
87L98.9Very high97.7Very high0 Ų034.8 Ų34.80%020%0.2CC..EExtended strand (participates in β ladder)trans-101.9130.6175.117864.8000110N89 H151 M153 I180 F182 A183 L184 I363L87-N89 HydrophobicContact CD2-CB 4.39Å; L87-N89 HydrophobicContact CG-CB 4.36Å; L87-H151 HydrophobicContact CD1-CB 3.96Å; L87-M153 HydrophobicContact CD1-CB 3.52Å; L87-M153 HydrophobicContact CD1-CE 4.02Å; L87-M153 HydrophobicContact CD1-CG 4.46Å; L87-M153 HydrophobicContact CD1-SD 4.18Å; L87-M153 HydrophobicContact CD2-CE 3.6Å; L87-M153 HydrophobicContact CG-CE 4.33Å; L87-I180 HydrophobicContact CB-CD1 4.25Å; L87-I180 HydrophobicContact CB-CG1 4.21Å; L87-I180 HydrophobicContact CB-CG2 3.78Å; L87-I180 HydrophobicContact CD1-CD1 4.49Å; L87-I180 HydrophobicContact CD2-CD1 3.74Å; L87-I180 HydrophobicContact CG-CD1 4.4Å; L87-F182 PolarHBondContact N-O 3.05Å; L87-A183 HydrophobicContact CB-CB 3.91Å; L87-A183 HydrophobicContact CD2-CB 3.97Å; L87-A183 HydrophobicContact CG-CB 4.22Å; L87-A183 CarbonylContact O-C 3.58Å; L87-A183 VanDerWaalsContact O-CA 3.31Å; L87-A183 WeakPolarHBondContact O-CA 3.3Å; L87-L184 PolarHBondContact O-N 2.77Å; L87-I363 HydrophobicContact CD2-CD1 3.86Å
88L98.9Very high97.5Very high0 Ų038.2 Ų38.20%020%0.204CC..EExtended strand (participates in β ladder)trans-107.596.6166.4-54180000106.4V86 Y132 V150 H151 L152 M153 L184 I406V86-L88 HydrophobicContact CG1-CD2 4.36Å; L88-Y132 HydrophobicContact CB-CD1 4.25Å; L88-Y132 HydrophobicContact CB-CD2 3.79Å; L88-Y132 HydrophobicContact CB-CE1 4.32Å; L88-Y132 HydrophobicContact CB-CE2 3.89Å; L88-Y132 HydrophobicContact CB-CG 4Å; L88-Y132 HydrophobicContact CD1-CD1 3.98Å; L88-Y132 HydrophobicContact CD1-CG 4.09Å; L88-Y132 HydrophobicContact CD2-CD1 4.31Å; L88-Y132 HydrophobicContact CD2-CE1 4.05Å; L88-Y132 HydrophobicContact CG-CD1 4.41Å; L88-V150 HydrophobicContact CD1-CG1 3.87Å; L88-V150 HydrophobicContact CG-CG1 4.05Å; L88-H151 PolarHBondContact N-O 2.88Å; L88-L152 HydrophobicContact CD1-CG 4.29Å; L88-L152 WeakPolarHBondContact O-CA 3.45Å; L88-M153 PolarHBondContact O-N 3.47Å; L88-L184 HydrophobicContact CD2-CB 4.21Å; L88-L184 HydrophobicContact CD2-CD1 4Å; L88-L184 HydrophobicContact CD2-CG 4.42Å; L88-I406 HydrophobicContact CD1-CD1 3.73Å; L88-I406 HydrophobicContact CD1-CG1 4Å; L88-I406 HydrophobicContact CD2-CG1 4.46Å
89N98.9Very high97.3Very high0 Ų041.2 Ų41.20%022%0.216CC..EExtended strand (participates in β ladder)trans-87.5142-178.1-172.562.4000111L87 Y132 M153 M166 L184 D185L87-N89 HydrophobicContact CD2-CB 4.39Å; L87-N89 HydrophobicContact CG-CB 4.36Å; N89-Y132 WeakPolarHBondContact O-CE2 3.48Å; N89-M153 HydrophobicContact CB-CE 4.49Å; N89-M153 WeakPolarHBondContact OD1-CE 3.31Å; N89-M166 WeakPolarHBondContact OD1-CE 3.4Å; N89-L184 VanDerWaalsContact CB-O 3.31Å; N89-L184 WeakPolarHBondContact CB-O 3.29Å; N89-L184 PolarHBondContact N-O 3.18Å; N89-D185 HydrophobicContact CB-CB 4.44Å; N89-D185 PolarHBondContact ND2-OD1 3.38Å
90S98.4Very high97.3Very high0 Ų043.8 Ų43.80%022%0.222CC..EExtended strand (participates in β ladder)trans-153.5148.8167.551.40000111.2M125 T129 M153 F154 V155S90-M125 WeakPolarHBondContact CA-SD 3.01Å; S90-M125 VanDerWaalsContact CB-CE 3.42Å; S90-T129 VanDerWaalsContact CB-OG1 3.32Å; S90-T129 WeakPolarHBondContact CB-OG1 3.37Å; S90-T129 PolarHBondContact OG-OG1 2.99Å; S90-M153 PolarHBondContact N-O 3.36Å; S90-M153 PolarHBondContact OG-O 3.5Å; S90-F154 CarbonylContact O-C 3.29Å; S90-F154 VanDerWaalsContact O-CA 3.24Å; S90-F154 WeakPolarHBondContact O-CA 3.49Å; S90-F154 VanDerWaalsContact OG-CD1 3.3Å; S90-F154 WeakPolarHBondContact OG-CD1 3.43Å; S90-V155 PolarHBondContact O-N 3.38Å
91H98.4Very high97.2Very high2 Ų242.9 Ų42.91%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-92.2162.7171.574.176.4000112D93 D124 M125 V155 E158 E186H91-D93 PolarHBondContact CE1-O 3.49Å; H91-D93 VanDerWaalsContact CE1-O 3.24Å; H91-D93 PolarHBondContact ND1-O 3.4Å; H91-D124 IonicContact CE1-OD1 3.28Å; H91-D124 PolarHBondContact CE1-OD1 3.26Å; H91-D124 IonicContact NE2-OD1 3.61Å; H91-D124 PolarHBondContact NE2-OD1 3.18Å; H91-M125 HydrophobicContact CB-SD 4.48Å; H91-M125 VanDerWaalsContact CD2-CG 3.48Å; H91-M125 WeakPolarHBondContact CD2-CG 3.34Å; H91-M125 PolarHBondContact CD2-SD 2.95Å; H91-M125 PolarHBondContact N-SD 2.71Å; H91-V155 CarbonylContact C-O 3.59Å; H91-V155 WeakPolarHBondContact CA-O 3.08Å; H91-E158 HydrophobicContact CB-CB 3.42Å; H91-E158 VanDerWaalsContact CB-CB 3.42Å; H91-E158 HydrophobicContact CB-CG 4.01Å; H91-E158 IonicContact CD2-OE2 3.76Å; H91-E186 IonicContact CD2-OE1 3.52Å; H91-E186 IonicContact CD2-OE2 2.69Å; H91-E186 PolarHBondContact CD2-OE2 3.38Å; H91-E186 VanDerWaalsContact CD2-OE2 3.25Å; H91-E186 IonicContact NE2-OE1 2.61Å; H91-E186 IonicContact NE2-OE2 3.61Å; H91-E186 PolarHBondContact NE2-OE2 3.3Å
92T97.2Very high97.3Very high9 Ų940.1 Ų40.16%0.05520%0.2CC..  trans-113.8-26.9-172.154.80000113.6T35 Y42 F154 V155T35-T92 WeakPolarHBondContact CB-O 3.22Å; T35-T92 PolarHBondContact OG1-O 3.04Å; Y42-T92 VanDerWaalsContact CE1-OG1 3.3Å; Y42-T92 WeakPolarHBondContact CE1-OG1 3.26Å; T92-F154 HydrophobicContact CG2-CB 3.74Å; T92-V155 PolarHBondContact N-O 3.21Å; T92-V155 PolarHBondContact OG1-O 3.45Å; T92-V155 VanDerWaalsContact OG1-O 3.12Å
93D98.2Very high97.2Very high0 Ų042.4 Ų42.40%020%0.199CC..  trans-75.9166.117744-57.3000113.2T35 H37 Y42 H91 P156 D157 E158 E159T35-D93 CarbonylContact O-C 3.54Å; T35-D93 VanDerWaalsContact O-CA 3.24Å; T35-D93 WeakPolarHBondContact O-CA 3.31Å; H37-D93 IonicContact CD2-OD2 3.31Å; H37-D93 IonicContact CE1-OD2 2.74Å; H37-D93 IonicContact NE2-OD2 3.87Å; H37-D93 PolarHBondContact NE2-OD2 2.85Å; Y42-D93 HydrophobicContact CE1-CB 3.87Å; Y42-D93 VanDerWaalsContact OH-CB 3.32Å; Y42-D93 WeakPolarHBondContact OH-CB 3.37Å; Y42-D93 VanDerWaalsContact OH-CG 3.3Å; Y42-D93 PolarHBondContact OH-OD1 3.06Å; H91-D93 PolarHBondContact CE1-O 3.49Å; H91-D93 VanDerWaalsContact CE1-O 3.24Å; H91-D93 PolarHBondContact ND1-O 3.4Å; D93-P156 WeakPolarHBondContact OD1-CA 3.24Å; D93-D157 PolarHBondContact OD1-N 2.93Å; D93-D157 WeakPolarHBondContact OD2-CA 3.24Å; D93-D157 PolarHBondContact OD2-N 2.89Å; D93-E158 PolarHBondContact OD2-N 3.27Å; D93-E159 WeakPolarHBondContact OD2-CB 3.31Å; D93-E159 PolarHBondContact OD2-N 3.38Å
94V98.3Very high97.2Very high0 Ų042.7 Ų42.70%020%0.203CC..BIsolated β-bridgetrans-141.8152.7175-62.30000110.5T35 V36 H37 F107 R120T35-V94 PolarHBondContact O-N 2.8Å; V36-V94 WeakPolarHBondContact CA-O 3.38Å; V36-V94 HydrophobicContact CB-CG2 3.85Å; V36-V94 HydrophobicContact CG2-CG2 4.26Å; H37-V94 PolarHBondContact N-O 3.41Å; V94-F107 HydrophobicContact CG2-CE1 4.11Å; V94-R120 HydrophobicContact CB-CG 3.61Å; V94-R120 HydrophobicContact CG1-CG 4.22Å; V94-R120 HydrophobicContact CG2-CG 3.61Å
95V95.9Very high97.2Very high20 Ų2042.6 Ų42.612%0.12121%0.206CC..  trans-67.4156.8174.2-63.60000114.3V36 R120 E159 H384V36-V95 WeakPolarHBondContact CG2-O 3.27Å; V95-R120 PolarHBondContact O-NE 2.86Å; V95-E159 HydrophobicContact CG1-CB 4.08Å; V95-E159 HydrophobicContact CG1-CG 4.31Å; V95-E159 VanDerWaalsContact CG1-OE2 3.28Å; V95-E159 WeakPolarHBondContact CG1-OE2 3.32Å; V95-E159 PolarHBondContact N-OE1 3.09Å; V95-E159 VanDerWaalsContact N-OE1 3.14Å; V95-H384 HydrophobicContact CG2-CB 4.08Å; V95-H384 VanDerWaalsContact CG2-CD2 3.45Å; V95-H384 WeakPolarHBondContact CG2-CD2 3.2Å
96P96.1Very high97.1Very high77 Ų7742.6 Ų42.650%0.521%0.205SC..  trans-55165.7172.9-24.333.7000114.9H37 R120H37-P96 HydrophobicContact CB-CG 4.43Å; P96-R120 PolarHBondContact O-NH2 2.83Å
97V95.8Very high97.1Very high33 Ų3343.3 Ų43.320%0.221%0.209CC..  trans-134.2145.6177.7-61.10000111.5W102 A106 F107 R120V97-W102 HydrophobicContact CB-CZ2 4.37Å; V97-W102 HydrophobicContact CG1-CZ2 3.65Å; V97-A106 HydrophobicContact CB-CB 4.24Å; V97-A106 HydrophobicContact CG1-CB 4Å; V97-A106 HydrophobicContact CG2-CB 3.93Å; V97-F107 HydrophobicContact CG1-CZ 4.43Å; V97-F107 HydrophobicContact CG2-CE2 3.73Å; V97-F107 HydrophobicContact CG2-CZ 4.19Å; V97-R120 HydrophobicContact CG1-CB 3.88Å; V97-R120 HydrophobicContact CG1-CG 4.07Å
98Y93.6Very high97Very high156 Ų15645.2 Ų45.261%0.61222%0.222SC*.  trans-9390.4165-63.8-81.1000108.8E100 H101 W102 H386Y98-E100 PolarHBondContact O-N 2.86Å; Y98-E100 VanDerWaalsContact O-N 3.09Å; Y98-H101 PolarHBondContact O-N 3.46Å; Y98-W102 VanDerWaalsContact O-CD1 3.25Å; Y98-H386 AromaticContact CD2-CE1 3.99Å
99Q95.6Very high97Very high71 Ų7145.2 Ų45.233%0.33222%0.222SC..G310 helixtrans-56.2-29.5-168.6-176.154.871.500113.8H101 W102 C104 A106Q99-H101 PolarHBondContact O-N 2.92Å; Q99-W102 PolarHBondContact O-N 3.42Å; Q99-C104 PolarHBondContact NE2-O 3.29Å; Q99-A106 VanDerWaalsContact OE1-N 3.07Å
100E96.3Very high96.9Very high141 Ų14148.5 Ų48.566%0.65924%0.238SC*.G310 helixtrans-63.5-19.8175.763.2-90.6-143.300114.4Y98Y98-E100 PolarHBondContact O-N 2.86Å; Y98-E100 VanDerWaalsContact O-N 3.09Å
101H96.3Very high96.9Very high104 Ų10451 Ų5148%0.48125%0.249SC..G310 helixtrans-98.1-1178.1-62.2-39.4000113.2Y98 Q99 H386 N387Y98-H101 PolarHBondContact O-N 3.46Å; Q99-H101 PolarHBondContact O-N 2.92Å; H101-H386 HydrophobicContact CB-CB 4.41Å; H101-H386 AromaticContact CD2-CE1 3.65Å; H101-H386 AromaticContact CD2-NE2 3.56Å; H101-H386 AromaticContact CG-CE1 3.97Å; H101-H386 AromaticContact CG-NE2 3.82Å; H101-N387 PolarHBondContact O-ND2 3.3Å
102W97.8Very high96.8Very high17 Ų1752.7 Ų52.76%0.06426%0.258CS..SBendtrans-93.9139.8176.5-71.265.6000111.6V97 Y98 Q99 C104 A106 R120 H386 N387 E388V97-W102 HydrophobicContact CB-CZ2 4.37Å; V97-W102 HydrophobicContact CG1-CZ2 3.65Å; Y98-W102 VanDerWaalsContact O-CD1 3.25Å; Q99-W102 PolarHBondContact O-N 3.42Å; W102-C104 WeakPolarHBondContact CB-O 3.35Å; W102-C104 PolarHBondContact O-N 3.27Å; W102-A106 HydrophobicContact CD2-CB 3.47Å; W102-A106 VanDerWaalsContact CD2-CB 3.47Å; W102-A106 HydrophobicContact CE3-CB 3.56Å; W102-A106 HydrophobicContact CG-CB 4.06Å; W102-A106 HydrophobicContact CH2-CB 3.96Å; W102-A106 HydrophobicContact CZ2-CB 3.88Å; W102-A106 HydrophobicContact CZ3-CB 3.81Å; W102-R120 HydrophobicContact CH2-CB 4.03Å; W102-R120 HydrophobicContact CZ2-CB 4.29Å; W102-H386 AromaticContact NE1-ND1 3.96Å; W102-N387 WeakPolarHBondContact CA-OD1 3.3Å; W102-E388 HydrophobicContact CH2-CB 3.84Å
103K94.4Very high96.7Very high166 Ų16657 Ų5772%0.72229%0.294SS*.SBendtrans-65.7-21.5175-67.4171.8-177.5178.90112.6N387K103-N387 WeakPolarHBondContact CB-OD1 3.5Å; K103-N387 VanDerWaalsContact CG-OD1 3.31Å; K103-N387 WeakPolarHBondContact CG-OD1 3.31Å; K103-N387 PolarHBondContact N-OD1 3.19Å
104C96.1Very high96.7Very high24 Ų2462.9 Ų62.916%0.16232%0.322CS..SBendtrans-149.2173.8177.460.70000110.1Q99 W102 A106 M110Q99-C104 PolarHBondContact NE2-O 3.29Å; W102-C104 WeakPolarHBondContact CB-O 3.35Å; W102-C104 PolarHBondContact O-N 3.27Å; C104-A106 PolarHBondContact O-N 3.41Å; C104-M110 HydrophobicContact CB-CB 4.37Å; C104-M110 HydrophobicContact CB-CE 4.14Å
105D97.8Very high96.6Very high73 Ų7362.9 Ų62.939%0.3932%0.322SS..  trans-57.8122.7172.3178.6-29.9000109.5F107 S108D105-F107 PolarHBondContact O-N 3.28Å; D105-F107 PolarHBondContact OD1-N 2.91Å; D105-S108 WeakPolarHBondContact O-CB 3.08Å; D105-S108 PolarHBondContact O-N 2.8Å; D105-S108 PolarHBondContact O-OG 3.3Å
106A97.8Very high96.7Very high0 Ų063.4 Ų63.40%032%0.324CS..THydrogen-bonded Turntrans-63.3-12.3-173.800000113.8V97 Q99 W102 C104 A119 R120V97-A106 HydrophobicContact CB-CB 4.24Å; V97-A106 HydrophobicContact CG1-CB 4Å; V97-A106 HydrophobicContact CG2-CB 3.93Å; Q99-A106 VanDerWaalsContact OE1-N 3.07Å; W102-A106 HydrophobicContact CD2-CB 3.47Å; W102-A106 VanDerWaalsContact CD2-CB 3.47Å; W102-A106 HydrophobicContact CE3-CB 3.56Å; W102-A106 HydrophobicContact CG-CB 4.06Å; W102-A106 HydrophobicContact CH2-CB 3.96Å; W102-A106 HydrophobicContact CZ2-CB 3.88Å; W102-A106 HydrophobicContact CZ3-CB 3.81Å; C104-A106 PolarHBondContact O-N 3.41Å; A106-A119 CarbonylContact O-C 3.51Å; A106-A119 WeakPolarHBondContact O-CA 3.28Å; A106-R120 PolarHBondContact O-N 3.45Å
107F98Very high96.9Very high17 Ų1759.8 Ų59.88%0.07530%0.301CS..THydrogen-bonded Turntrans-119.110.8178.6-56.7-81.2000112.1R32 K34 V36 V94 V97 D105 A109 R120R32-F107 WeakPolarHBondContact CA-O 3.45Å; R32-F107 VanDerWaalsContact CG-O 3.3Å; R32-F107 WeakPolarHBondContact CG-O 3.16Å; K34-F107 HydrophobicContact CD-CB 4.35Å; K34-F107 HydrophobicContact CD-CD2 4.34Å; K34-F107 HydrophobicContact CD-CG 4.25Å; K34-F107 HydrophobicContact CG-CB 3.98Å; K34-F107 HydrophobicContact CG-CD1 3.98Å; K34-F107 HydrophobicContact CG-CD2 4.37Å; K34-F107 HydrophobicContact CG-CG 3.85Å; V36-F107 HydrophobicContact CB-CE1 4.05Å; V36-F107 HydrophobicContact CB-CZ 3.78Å; V36-F107 HydrophobicContact CG1-CE1 4.38Å; V36-F107 HydrophobicContact CG1-CZ 3.93Å; V36-F107 HydrophobicContact CG2-CZ 3.94Å; V94-F107 HydrophobicContact CG2-CE1 4.11Å; V97-F107 HydrophobicContact CG1-CZ 4.43Å; V97-F107 HydrophobicContact CG2-CE2 3.73Å; V97-F107 HydrophobicContact CG2-CZ 4.19Å; D105-F107 PolarHBondContact O-N 3.28Å; D105-F107 PolarHBondContact OD1-N 2.91Å; F107-A109 VanDerWaalsContact C-N 3.31Å; F107-R120 HydrophobicContact CE1-CB 4.07Å; F107-R120 HydrophobicContact CE1-CG 4.27Å; F107-R120 HydrophobicContact CZ-CB 4.35Å
108S97.7Very high97Very high39 Ų3958.9 Ų58.927%0.27329%0.294SS..SBendtrans-75-22.5176.6610000113.5R32 D105 M110R32-S108 PolarHBondContact NE-O 3.31Å; D105-S108 WeakPolarHBondContact O-CB 3.08Å; D105-S108 PolarHBondContact O-N 2.8Å; D105-S108 PolarHBondContact O-OG 3.3Å; S108-M110 VanDerWaalsContact C-N 3.26Å; S108-M110 PolarHBondContact O-N 2.82Å; S108-M110 WeakPolarHBondContact OG-CB 3.48Å; S108-M110 PolarHBondContact OG-N 3.5Å
109A97.9Very high97.2Very high0 Ų051.5 Ų51.50%027%0.265CS..  trans51.348.3-166.800000111.1R28 L31 R32 F107 I117 F118 A119R28-A109 HydrophobicContact CB-CB 3.79Å; R28-A109 HydrophobicContact CG-CB 4.08Å; R28-A109 PolarHBondContact NE-O 2.93Å; R28-A109 PolarHBondContact NH2-O 2.83Å; R28-A109 WeakPolarHBondContact O-CB 3.45Å; L31-A109 HydrophobicContact CB-CB 3.79Å; L31-A109 HydrophobicContact CD1-CB 4.13Å; R32-A109 HydrophobicContact CG-CB 4.08Å; F107-A109 VanDerWaalsContact C-N 3.31Å; A109-I117 HydrophobicContact CB-CG2 4.41Å; A109-F118 WeakPolarHBondContact CA-O 3.46Å; A109-A119 HydrophobicContact CB-CB 4.48Å
110M97.7Very high97.4Very high69 Ų6948.3 Ų48.334%0.3425%0.25SS..EExtended strand (participates in β ladder)trans-68130176.5-172.2-78.4-68.700108.8C104 S108 D112 I117 F118C104-M110 HydrophobicContact CB-CB 4.37Å; C104-M110 HydrophobicContact CB-CE 4.14Å; S108-M110 VanDerWaalsContact C-N 3.26Å; S108-M110 PolarHBondContact O-N 2.82Å; S108-M110 WeakPolarHBondContact OG-CB 3.48Å; S108-M110 PolarHBondContact OG-N 3.5Å; M110-D112 HydrophobicContact SD-CB 4.47Å; M110-I117 WeakPolarHBondContact O-CA 3.45Å; M110-F118 HydrophobicContact CE-CD2 3.67Å; M110-F118 HydrophobicContact CE-CE2 4.18Å; M110-F118 HydrophobicContact CE-CG 4.4Å; M110-F118 PolarHBondContact N-O 3.38Å; M110-F118 PolarHBondContact O-N 2.85Å
111K97.8Very high97.5Very high52 Ų5241.6 Ų41.623%0.22622%0.219CC..EExtended strand (participates in β ladder)trans-107.2123.5175.1-169.3175.678.1179.30108.8E20 V24 N116 I117 E392E20-K111 VanDerWaalsContact OE1-CE 3.23Å; E20-K111 WeakPolarHBondContact OE1-CE 3.25Å; E20-K111 IonicContact OE1-NZ 3.96Å; E20-K111 PolarHBondContact OE1-NZ 3.22Å; V24-K111 HydrophobicContact CG1-CD 4.31Å; K111-N116 VanDerWaalsContact CA-O 3.3Å; K111-N116 WeakPolarHBondContact CA-O 3.31Å; K111-I117 HydrophobicContact CB-CG1 4.23Å; K111-I117 HydrophobicContact CD-CG1 3.92Å; K111-I117 HydrophobicContact CG-CG1 3.85Å; K111-E392 IonicContact NZ-OE1 3.25Å; K111-E392 IonicContact NZ-OE2 3.82Å; K111-E392 PolarHBondContact NZ-OE2 3.35Å
112D96.9Very high97.6Very high38 Ų3836.6 Ų36.620%0.20320%0.196CC..  trans-77.5-179.7176.770.99.9000112.3M110 E114 G115 N116 F118M110-D112 HydrophobicContact SD-CB 4.47Å; D112-E114 VanDerWaalsContact CG-OE2 3.23Å; D112-E114 PolarHBondContact O-N 3.36Å; D112-E114 WeakPolarHBondContact OD1-CA 3.45Å; D112-E114 WeakPolarHBondContact OD1-CB 3.36Å; D112-E114 PolarHBondContact OD1-N 2.86Å; D112-G115 PolarHBondContact O-N 2.88Å; D112-G115 PolarHBondContact OD1-N 2.92Å; D112-N116 PolarHBondContact N-O 2.84Å; D112-N116 WeakPolarHBondContact OD1-CB 3.26Å; D112-N116 PolarHBondContact OD1-N 2.9Å; D112-N116 PolarHBondContact OD1-ND2 2.99Å; D112-N116 WeakPolarHBondContact OD2-CB 3.48Å; D112-N116 PolarHBondContact OD2-ND2 3.31Å; D112-F118 HydrophobicContact CB-CE2 4.01Å; D112-F118 VanDerWaalsContact OD2-CE2 3.31Å; D112-F118 WeakPolarHBondContact OD2-CE2 3.39Å
113A95.9Very high97.6Very high99 Ų9936 Ų3682%0.81819%0.194SC*.THydrogen-bonded Turntrans-70.7-22.3-179.400000112.7G115A113-G115 VanDerWaalsContact C-N 3.29Å
114E96.7Very high97.7Very high124 Ų12428.7 Ų28.758%0.57916%0.162SC*.THydrogen-bonded Turntrans-83.9-6177.3-63.270-154.300112.6D112 N391D112-E114 VanDerWaalsContact CG-OE2 3.23Å; D112-E114 PolarHBondContact O-N 3.36Å; D112-E114 WeakPolarHBondContact OD1-CA 3.45Å; D112-E114 WeakPolarHBondContact OD1-CB 3.36Å; D112-E114 PolarHBondContact OD1-N 2.86Å; E114-N391 PolarHBondContact O-ND2 3.03Å
115G97.2Very high97.8Very high1 Ų127.6 Ų27.61%0.0116%0.155CC..  trans86.512.9178.500000114D112 A113 N391 E392D112-G115 PolarHBondContact O-N 2.88Å; D112-G115 PolarHBondContact OD1-N 2.92Å; A113-G115 VanDerWaalsContact C-N 3.29Å; G115-N391 WeakPolarHBondContact O-CA 3.49Å; G115-E392 PolarHBondContact O-N 2.79Å
116N98.3Very high97.9Very high31 Ų3124.1 Ų24.117%0.16614%0.136CC..EExtended strand (participates in β ladder)trans-77.8124.7173.3-53.7-52.2000110K111 D112 F118 H389 N391K111-N116 VanDerWaalsContact CA-O 3.3Å; K111-N116 WeakPolarHBondContact CA-O 3.31Å; D112-N116 PolarHBondContact N-O 2.84Å; D112-N116 WeakPolarHBondContact OD1-CB 3.26Å; D112-N116 PolarHBondContact OD1-N 2.9Å; D112-N116 PolarHBondContact OD1-ND2 2.99Å; D112-N116 WeakPolarHBondContact OD2-CB 3.48Å; D112-N116 PolarHBondContact OD2-ND2 3.31Å; N116-F118 HydrophobicContact CB-CD2 4.43Å; N116-F118 HydrophobicContact CB-CE2 3.74Å; N116-F118 HydrophobicContact CB-CZ 3.96Å; N116-H389 HydrophobicContact CB-CB 4.38Å; N116-N391 PolarHBondContact OD1-ND2 3.43Å
117I98.6Very high97.9Very high0 Ų024.1 Ų24.10%014%0.136CC..EExtended strand (participates in β ladder)trans-98.4104.6179-55.8163.4000107.6V24 F27 R28 L31 A109 M110 K111 H389 L390 E392V24-I117 HydrophobicContact CG1-CD1 3.71Å; F27-I117 HydrophobicContact CD1-CD1 3.82Å; F27-I117 HydrophobicContact CE1-CD1 4.01Å; R28-I117 HydrophobicContact CG-CD1 4.38Å; R28-I117 HydrophobicContact CG-CG2 3.83Å; L31-I117 HydrophobicContact CD1-CG2 3.7Å; A109-I117 HydrophobicContact CB-CG2 4.41Å; M110-I117 WeakPolarHBondContact O-CA 3.45Å; K111-I117 HydrophobicContact CB-CG1 4.23Å; K111-I117 HydrophobicContact CD-CG1 3.92Å; K111-I117 HydrophobicContact CG-CG1 3.85Å; I117-H389 WeakPolarHBondContact O-CA 3.06Å; I117-H389 WeakPolarHBondContact O-CB 3.48Å; I117-L390 PolarHBondContact N-O 3.42Å; I117-L390 PolarHBondContact O-N 3.28Å; I117-E392 HydrophobicContact CD1-CB 4.08Å
118F98.6Very high97.9Very high15 Ų1523.3 Ų23.37%0.06613%0.133CC..EExtended strand (participates in β ladder)trans-83.7116.6179.3-63.6-90.4000110.2A109 M110 D112 N116 N387 E388 H389A109-F118 WeakPolarHBondContact CA-O 3.46Å; M110-F118 HydrophobicContact CE-CD2 3.67Å; M110-F118 HydrophobicContact CE-CE2 4.18Å; M110-F118 HydrophobicContact CE-CG 4.4Å; M110-F118 PolarHBondContact N-O 3.38Å; M110-F118 PolarHBondContact O-N 2.85Å; D112-F118 HydrophobicContact CB-CE2 4.01Å; D112-F118 VanDerWaalsContact OD2-CE2 3.31Å; D112-F118 WeakPolarHBondContact OD2-CE2 3.39Å; N116-F118 HydrophobicContact CB-CD2 4.43Å; N116-F118 HydrophobicContact CB-CE2 3.74Å; N116-F118 HydrophobicContact CB-CZ 3.96Å; F118-N387 HydrophobicContact CD1-CB 4.21Å; F118-N387 HydrophobicContact CE1-CB 4.35Å; F118-E388 WeakPolarHBondContact CA-O 3.3Å; F118-H389 HydrophobicContact CD1-CB 3.66Å; F118-H389 HydrophobicContact CE1-CB 3.87Å; F118-H389 AromaticContact CE1-CG 3.79Å; F118-H389 AromaticContact CE1-ND1 3.63Å; F118-H389 HydrophobicContact CG-CB 4.04Å; F118-H389 HydrophobicContact CZ-CB 4.43Å
119A98.5Very high98Very high0 Ų021.5 Ų21.50%012%0.12CC..  trans-167.7150.9169.500000110.8L31 A106 A109 G121 S122 E388L31-A119 HydrophobicContact CB-CB 3.94Å; L31-A119 HydrophobicContact CD1-CB 3.8Å; L31-A119 HydrophobicContact CD2-CB 3.81Å; L31-A119 HydrophobicContact CG-CB 4.06Å; A106-A119 CarbonylContact O-C 3.51Å; A106-A119 WeakPolarHBondContact O-CA 3.28Å; A109-A119 HydrophobicContact CB-CB 4.48Å; A119-G121 PolarHBondContact O-N 3.33Å; A119-S122 VanDerWaalsContact O-CB 3.25Å; A119-S122 WeakPolarHBondContact O-CB 3.3Å; A119-S122 PolarHBondContact O-N 2.8Å; A119-S122 PolarHBondContact O-OG 3.43Å; A119-E388 PolarHBondContact N-O 3Å
120R98.6Very high98Very high4 Ų421.5 Ų21.52%0.01512%0.12CC..THydrogen-bonded Turntrans-62128.6164170.959.975.9-138.47.9109.2V94 V95 P96 V97 W102 A106 F107 H384 D385 E388V94-R120 HydrophobicContact CB-CG 3.61Å; V94-R120 HydrophobicContact CG1-CG 4.22Å; V94-R120 HydrophobicContact CG2-CG 3.61Å; V95-R120 PolarHBondContact O-NE 2.86Å; P96-R120 PolarHBondContact O-NH2 2.83Å; V97-R120 HydrophobicContact CG1-CB 3.88Å; V97-R120 HydrophobicContact CG1-CG 4.07Å; W102-R120 HydrophobicContact CH2-CB 4.03Å; W102-R120 HydrophobicContact CZ2-CB 4.29Å; A106-R120 PolarHBondContact O-N 3.45Å; F107-R120 HydrophobicContact CE1-CB 4.07Å; F107-R120 HydrophobicContact CE1-CG 4.27Å; F107-R120 HydrophobicContact CZ-CB 4.35Å; R120-H384 VanDerWaalsContact NH1-CA 3.29Å; R120-H384 VanDerWaalsContact NH2-C 3.34Å; R120-H384 PolarHBondContact NH2-O 3.46Å; R120-D385 PolarHBondContact NH1-O 3.35Å; R120-D385 VanDerWaalsContact NH1-O 3.1Å; R120-D385 PolarHBondContact NH2-O 3.09Å; R120-E388 WeakPolarHBondContact CD-OE2 3.36Å; R120-E388 IonicContact CZ-OE2 2.88Å; R120-E388 IonicContact NE-OE2 2.83Å; R120-E388 IonicContact NH1-OE2 3.54Å; R120-E388 PolarHBondContact NH1-OE2 3.2Å
121G98.1Very high98.1Very high0 Ų018.2 Ų18.20%010%0.104CC..THydrogen-bonded Turntrans84.311.9-176.500000115.1A119 Q123 D124 K126 E388A119-G121 PolarHBondContact O-N 3.33Å; G121-Q123 VanDerWaalsContact C-N 3.29Å; G121-D124 WeakPolarHBondContact CA-O 3.34Å; G121-K126 VanDerWaalsContact O-CB 3.29Å; G121-K126 WeakPolarHBondContact O-CB 3.3Å; G121-K126 PolarHBondContact O-N 3.42Å; G121-K126 VanDerWaalsContact O-N 3.13Å; G121-E388 WeakPolarHBondContact CA-OE1 3.35Å; G121-E388 VanDerWaalsContact N-CD 3.34Å; G121-E388 PolarHBondContact N-OE1 2.94Å; G121-E388 PolarHBondContact N-OE2 3.24Å
122S98.4Very high98.1Very high0 Ų015.8 Ų15.80%09%0.093CC..THydrogen-bonded Turntrans-70.5-23.7173.159.50000113.8A119 C127 E388 H389 L390A119-S122 VanDerWaalsContact O-CB 3.25Å; A119-S122 WeakPolarHBondContact O-CB 3.3Å; A119-S122 PolarHBondContact O-N 2.8Å; A119-S122 PolarHBondContact O-OG 3.43Å; S122-C127 WeakPolarHBondContact O-CB 3.38Å; S122-C127 PolarHBondContact O-SG 3.39Å; S122-C127 VanDerWaalsContact O-SG 3.33Å; S122-E388 PolarHBondContact N-OE1 3.38Å; S122-E388 VanDerWaalsContact OG-C 3.28Å; S122-E388 WeakPolarHBondContact OG-CG 3.19Å; S122-E388 PolarHBondContact OG-O 2.59Å; S122-H389 WeakPolarHBondContact OG-CA 3.35Å; S122-H389 PolarHBondContact OG-N 2.73Å; S122-L390 VanDerWaalsContact O-CB 3.32Å; S122-L390 WeakPolarHBondContact O-CB 3.29Å; S122-L390 WeakPolarHBondContact O-CD2 3.39Å
123Q98.3Very high98.2Very high5 Ų514 Ų142%0.0238%0.083CC..THydrogen-bonded Turntrans-108.1-30.8167.5-64.2-169.310.900111.9G121 C127 M376 P380 E388 H389G121-Q123 VanDerWaalsContact C-N 3.29Å; Q123-C127 PolarHBondContact O-SG 2.93Å; Q123-C127 VanDerWaalsContact O-SG 3.41Å; Q123-M376 HydrophobicContact CB-CE 4.14Å; Q123-M376 HydrophobicContact CB-SD 4.33Å; Q123-M376 HydrophobicContact CG-SD 4.22Å; Q123-P380 PolarHBondContact NE2-O 3.39Å; Q123-P380 PolarHBondContact OE1-O 3.05Å; Q123-E388 HydrophobicContact CB-CG 4.22Å; Q123-E388 HydrophobicContact CG-CG 4.22Å; Q123-E388 PolarHBondContact N-OE1 3.04Å; Q123-H389 PolarHBondContact NE2-O 3.01Å
124D97.6Very high98.4Very high11 Ų119.7 Ų9.76%0.0595%0.047CC..THydrogen-bonded Turntrans-130.396.5-169.8-172.6-1.9000114.4H91 G121 L383 H384 E388H91-D124 IonicContact CE1-OD1 3.28Å; H91-D124 PolarHBondContact CE1-OD1 3.26Å; H91-D124 IonicContact NE2-OD1 3.61Å; H91-D124 PolarHBondContact NE2-OD1 3.18Å; G121-D124 WeakPolarHBondContact CA-O 3.34Å; D124-L383 HydrophobicContact CB-CB 3.74Å; D124-H384 IonicContact OD2-CD2 2.71Å; D124-H384 PolarHBondContact OD2-CD2 3.4Å; D124-H384 IonicContact OD2-CE1 2.65Å; D124-H384 IonicContact OD2-NE2 2.74Å; D124-H384 PolarHBondContact OD2-NE2 3.03Å; D124-E388 PolarHBondContact N-OE1 2.94Å
125M98Very high98.5Very high1 Ų13.8 Ų3.81%0.0052%0.019CC..THydrogen-bonded Turncis-126.927.5-18.768.2171.6-61.900111.5S90 H91 C127 V128 T129 E186S90-M125 WeakPolarHBondContact CA-SD 3.01Å; S90-M125 VanDerWaalsContact CB-CE 3.42Å; H91-M125 HydrophobicContact CB-SD 4.48Å; H91-M125 VanDerWaalsContact CD2-CG 3.48Å; H91-M125 WeakPolarHBondContact CD2-CG 3.34Å; H91-M125 PolarHBondContact CD2-SD 2.95Å; H91-M125 PolarHBondContact N-SD 2.71Å; M125-C127 PolarHBondContact O-N 2.93Å; M125-V128 HydrophobicContact CE-CB 3.64Å; M125-V128 HydrophobicContact CE-CG1 3.57Å; M125-V128 HydrophobicContact CE-CG2 4.31Å; M125-V128 PolarHBondContact O-N 3.42Å; M125-T129 PolarHBondContact O-N 3.18Å; M125-E186 HydrophobicContact CB-CB 4.04Å; M125-E186 VanDerWaalsContact CB-OE2 3.29Å; M125-E186 WeakPolarHBondContact CB-OE2 3.29Å; M125-E186 HydrophobicContact CE-CB 3.58Å; M125-E186 HydrophobicContact CG-CB 4.43Å; M125-E186 WeakPolarHBondContact CG-OE2 3.4Å; M125-E186 HydrophobicContact SD-CB 3.62Å; M125-E186 HydrophobicContact SD-CG 4.14Å; M125-E186 VanDerWaalsContact SD-OE2 3.33Å
126K98.7Very high98.6Very high1 Ų13.8 Ų3.80%0.0042%0.019CC..Hα-helixtrans-59.1-24.7-178-65.6-170.3172.4-177.50112.6F27 Y30 L31 L33 T35 G121 T129 I130F27-K126 HydrophobicContact CE2-CB 4.36Å; Y30-K126 HydrophobicContact CD1-CB 3.64Å; Y30-K126 HydrophobicContact CD1-CD 3.85Å; Y30-K126 HydrophobicContact CD1-CG 3.84Å; Y30-K126 HydrophobicContact CE1-CB 3.73Å; Y30-K126 HydrophobicContact CE1-CD 3.86Å; Y30-K126 HydrophobicContact CE1-CG 3.56Å; Y30-K126 HydrophobicContact CG-CD 4.43Å; Y30-K126 PolarHBondContact O-NZ 2.85Å; Y30-K126 VanDerWaalsContact O-NZ 3.16Å; L31-K126 HydrophobicContact CD2-CB 4.09Å; L31-K126 HydrophobicContact CD2-CD 4.16Å; L33-K126 PolarHBondContact O-NZ 2.88Å; T35-K126 WeakPolarHBondContact OG1-CE 3.4Å; T35-K126 PolarHBondContact OG1-NZ 3.18Å; G121-K126 VanDerWaalsContact O-CB 3.29Å; G121-K126 WeakPolarHBondContact O-CB 3.3Å; G121-K126 PolarHBondContact O-N 3.42Å; G121-K126 VanDerWaalsContact O-N 3.13Å; K126-T129 WeakPolarHBondContact O-CB 3.42Å; K126-I130 WeakPolarHBondContact O-CG1 3.37Å; K126-I130 PolarHBondContact O-N 3.25Å; K126-I130 VanDerWaalsContact O-N 3.17Å
127C98.6Very high98.6Very high0 Ų05.1 Ų5.10%02%0.021CC..Hα-helixtrans-61.2-49.6171.358.70000111.8F27 S122 Q123 M125 T129 I130 Q131 L390 F395F27-C127 HydrophobicContact CE1-CB 4.38Å; F27-C127 VanDerWaalsContact CE2-CA 3.44Å; F27-C127 HydrophobicContact CE2-CB 3.8Å; F27-C127 HydrophobicContact CZ-CB 3.59Å; S122-C127 WeakPolarHBondContact O-CB 3.38Å; S122-C127 PolarHBondContact O-SG 3.39Å; S122-C127 VanDerWaalsContact O-SG 3.33Å; Q123-C127 PolarHBondContact O-SG 2.93Å; Q123-C127 VanDerWaalsContact O-SG 3.41Å; M125-C127 PolarHBondContact O-N 2.93Å; C127-T129 VanDerWaalsContact C-N 3.34Å; C127-T129 PolarHBondContact O-N 3.28Å; C127-I130 PolarHBondContact O-N 2.93Å; C127-Q131 WeakPolarHBondContact O-CB 3.42Å; C127-Q131 WeakPolarHBondContact O-CG 3.49Å; C127-Q131 PolarHBondContact O-N 2.79Å; C127-L390 HydrophobicContact CB-CD2 3.59Å; C127-F395 HydrophobicContact CB-CD2 4.17Å
128V98.7Very high98.6Very high0 Ų08.7 Ų8.70%04%0.035CC..Hα-helixtrans-63.5-41.7180177.60000110.6M125 I130 Q131 Y132 S374 Y402M125-V128 HydrophobicContact CE-CB 3.64Å; M125-V128 HydrophobicContact CE-CG1 3.57Å; M125-V128 HydrophobicContact CE-CG2 4.31Å; M125-V128 PolarHBondContact O-N 3.42Å; V128-I130 VanDerWaalsContact C-N 3.35Å; V128-I130 PolarHBondContact O-N 3.31Å; V128-Q131 PolarHBondContact O-N 3.02Å; V128-Y132 HydrophobicContact CG1-CD2 3.96Å; V128-Y132 HydrophobicContact CG1-CE1 4.07Å; V128-Y132 HydrophobicContact CG1-CE2 3.35Å; V128-Y132 WeakPolarHBondContact O-CD2 3.49Å; V128-Y132 PolarHBondContact O-N 3.21Å; V128-S374 WeakPolarHBondContact CG2-OG 3.43Å; V128-Y402 HydrophobicContact CG1-CE2 4.3Å
129T98.8Very high98.6Very high0 Ų08.2 Ų8.20%03%0.033CC..Hα-helixtrans-49.8-54.2172-67.90000111.5Y30 S90 M125 K126 C127 Y132 I133 F154Y30-T129 HydrophobicContact CD1-CG2 4.12Å; Y30-T129 HydrophobicContact CE1-CG2 3.47Å; Y30-T129 VanDerWaalsContact CE1-CG2 3.47Å; S90-T129 VanDerWaalsContact CB-OG1 3.32Å; S90-T129 WeakPolarHBondContact CB-OG1 3.37Å; S90-T129 PolarHBondContact OG-OG1 2.99Å; M125-T129 PolarHBondContact O-N 3.18Å; K126-T129 WeakPolarHBondContact O-CB 3.42Å; C127-T129 VanDerWaalsContact C-N 3.34Å; C127-T129 PolarHBondContact O-N 3.28Å; T129-Y132 PolarHBondContact O-N 2.84Å; T129-I133 HydrophobicContact CG2-CD1 3.93Å; T129-I133 WeakPolarHBondContact O-CG1 3.44Å; T129-I133 PolarHBondContact O-N 3.43Å; T129-I133 VanDerWaalsContact O-N 3.16Å; T129-F154 HydrophobicContact CG2-CD1 4Å; T129-F154 HydrophobicContact CG2-CE1 3.71Å
130I98.9Very high98.6Very high0 Ų011.1 Ų11.10%05%0.046CC..Hα-helixtrans-73.6-31.9-176.5-58.3-64.7000111.2L26 F27 Y30 F48 K126 C127 V128 I133 Q134 F395L26-I130 HydrophobicContact CD2-CD1 4.44Å; L26-I130 HydrophobicContact CD2-CG2 4.21Å; L26-I130 HydrophobicContact CG-CD1 4.36Å; L26-I130 HydrophobicContact CG-CG2 4.42Å; F27-I130 HydrophobicContact CB-CB 4.46Å; F27-I130 HydrophobicContact CB-CG2 4.14Å; F27-I130 HydrophobicContact CD2-CB 4.47Å; F27-I130 HydrophobicContact CD2-CG1 4.22Å; Y30-I130 HydrophobicContact CD1-CD1 3.76Å; Y30-I130 HydrophobicContact CD1-CG1 3.77Å; Y30-I130 HydrophobicContact CG-CD1 3.87Å; Y30-I130 HydrophobicContact CG-CG1 4.24Å; F48-I130 HydrophobicContact CE1-CD1 3.83Å; F48-I130 HydrophobicContact CZ-CD1 3.75Å; K126-I130 WeakPolarHBondContact O-CG1 3.37Å; K126-I130 PolarHBondContact O-N 3.25Å; K126-I130 VanDerWaalsContact O-N 3.17Å; C127-I130 PolarHBondContact O-N 2.93Å; V128-I130 VanDerWaalsContact C-N 3.35Å; V128-I130 PolarHBondContact O-N 3.31Å; I130-I133 HydrophobicContact CD1-CD1 4.17Å; I130-I133 PolarHBondContact O-N 2.68Å; I130-Q134 HydrophobicContact CG2-CG 3.99Å; I130-Q134 WeakPolarHBondContact O-CB 3.45Å; I130-Q134 VanDerWaalsContact O-CG 3.23Å; I130-Q134 WeakPolarHBondContact O-CG 3.27Å; I130-Q134 PolarHBondContact O-N 2.98Å; I130-F395 HydrophobicContact CB-CE2 4.14Å; I130-F395 HydrophobicContact CB-CZ 4.18Å; I130-F395 HydrophobicContact CG2-CE2 4.2Å; I130-F395 HydrophobicContact CG2-CZ 3.72Å
131Q98.9Very high98.5Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-63.5-41.6174.5-71.3169.5-16.500112.2C127 V128 Q134 A135 F395 I399 Y402C127-Q131 WeakPolarHBondContact O-CB 3.42Å; C127-Q131 WeakPolarHBondContact O-CG 3.49Å; C127-Q131 PolarHBondContact O-N 2.79Å; V128-Q131 PolarHBondContact O-N 3.02Å; Q131-Q134 PolarHBondContact O-N 3.21Å; Q131-A135 VanDerWaalsContact O-CB 3.29Å; Q131-A135 WeakPolarHBondContact O-CB 3.18Å; Q131-A135 PolarHBondContact O-N 2.81Å; Q131-F395 HydrophobicContact CG-CD2 3.85Å; Q131-F395 HydrophobicContact CG-CE2 3.68Å; Q131-F395 HydrophobicContact CG-CZ 4.5Å; Q131-F395 PolarHBondContact NE2-O 2.98Å; Q131-I399 HydrophobicContact CB-CG1 4.26Å; Q131-I399 HydrophobicContact CG-CG1 3.9Å; Q131-Y402 HydrophobicContact CB-CD2 3.75Å; Q131-Y402 HydrophobicContact CB-CE2 3.98Å
132Y98.9Very high98.5Very high1 Ų121.2 Ų21.20%0.00411%0.108CC..Hα-helixtrans-60.6-50.5172.4-67.8-32.9000112L88 N89 V128 T129 Q134 A135 V136 L184 Y402L88-Y132 HydrophobicContact CB-CD1 4.25Å; L88-Y132 HydrophobicContact CB-CD2 3.79Å; L88-Y132 HydrophobicContact CB-CE1 4.32Å; L88-Y132 HydrophobicContact CB-CE2 3.89Å; L88-Y132 HydrophobicContact CB-CG 4Å; L88-Y132 HydrophobicContact CD1-CD1 3.98Å; L88-Y132 HydrophobicContact CD1-CG 4.09Å; L88-Y132 HydrophobicContact CD2-CD1 4.31Å; L88-Y132 HydrophobicContact CD2-CE1 4.05Å; L88-Y132 HydrophobicContact CG-CD1 4.41Å; N89-Y132 WeakPolarHBondContact O-CE2 3.48Å; V128-Y132 HydrophobicContact CG1-CD2 3.96Å; V128-Y132 HydrophobicContact CG1-CE1 4.07Å; V128-Y132 HydrophobicContact CG1-CE2 3.35Å; V128-Y132 WeakPolarHBondContact O-CD2 3.49Å; V128-Y132 PolarHBondContact O-N 3.21Å; T129-Y132 PolarHBondContact O-N 2.84Å; Y132-Q134 VanDerWaalsContact C-N 3.3Å; Y132-Q134 PolarHBondContact O-N 2.97Å; Y132-A135 PolarHBondContact O-N 3.35Å; Y132-V136 WeakPolarHBondContact O-CG2 3.34Å; Y132-V136 PolarHBondContact O-N 2.93Å; Y132-L184 WeakPolarHBondContact OH-CB 3.47Å; Y132-Y402 AromaticContact CD1-CD1 3.98Å; Y132-Y402 HydrophobicContact CD1-CD1 3.98Å; Y132-Y402 AromaticContact CD1-CD2 3.9Å; Y132-Y402 HydrophobicContact CD1-CD2 3.9Å; Y132-Y402 HydrophobicContact CD1-CE1 4.14Å; Y132-Y402 AromaticContact CD1-CE2 3.98Å; Y132-Y402 HydrophobicContact CD1-CE2 3.98Å; Y132-Y402 AromaticContact CD1-CG 3.85Å; Y132-Y402 HydrophobicContact CD1-CG 3.85Å; Y132-Y402 AromaticContact CE1-CD1 3.54Å; Y132-Y402 HydrophobicContact CE1-CD1 3.54Å; Y132-Y402 AromaticContact CE1-CD2 3.96Å; Y132-Y402 HydrophobicContact CE1-CD2 3.96Å; Y132-Y402 AromaticContact CE1-CE1 3.3Å; Y132-Y402 HydrophobicContact CE1-CE1 3.3Å; Y132-Y402 AromaticContact CE1-CE2 3.68Å; Y132-Y402 HydrophobicContact CE1-CE2 3.68Å; Y132-Y402 AromaticContact CE1-CG 3.87Å; Y132-Y402 HydrophobicContact CE1-CG 3.87Å; Y132-Y402 AromaticContact CE1-CZ 3.31Å; Y132-Y402 AromaticContact CZ-CZ 3.91Å; Y132-Y402 PolarHBondContact OH-OH 3.37Å
133I98.9Very high98.4Very high0 Ų024.1 Ų24.10%014%0.138CC..Hα-helixtrans-56-46.3178.9-74.9163.6000110.8L26 L49 I52 L56 T129 I130 V136 R137 L152 F154L26-I133 HydrophobicContact CD2-CG2 4.44Å; L49-I133 HydrophobicContact CD2-CD1 4.29Å; I52-I133 HydrophobicContact CG2-CB 4.48Å; I52-I133 HydrophobicContact CG2-CD1 4.08Å; I52-I133 HydrophobicContact CG2-CG1 4.13Å; I52-I133 HydrophobicContact CG2-CG2 3.54Å; L56-I133 HydrophobicContact CD1-CG2 4.27Å; T129-I133 HydrophobicContact CG2-CD1 3.93Å; T129-I133 WeakPolarHBondContact O-CG1 3.44Å; T129-I133 PolarHBondContact O-N 3.43Å; T129-I133 VanDerWaalsContact O-N 3.16Å; I130-I133 HydrophobicContact CD1-CD1 4.17Å; I130-I133 PolarHBondContact O-N 2.68Å; I133-V136 PolarHBondContact O-N 3Å; I133-R137 WeakPolarHBondContact O-CB 3.43Å; I133-R137 PolarHBondContact O-N 2.83Å; I133-L152 HydrophobicContact CG1-CD2 4.04Å; I133-F154 HydrophobicContact CD1-CE1 4.22Å; I133-F154 HydrophobicContact CD1-CZ 4.12Å; I133-F154 HydrophobicContact CG1-CZ 4.29Å
134Q98.9Very high98.4Very high10 Ų1027.1 Ų27.15%0.04715%0.149CC..Hα-helixtrans-73.3-36.1-177.8-67.6-70.77.700112.9L26 I130 Q131 Y132 V136 R137 R138 I399L26-Q134 VanDerWaalsContact CD2-NE2 3.25Å; I130-Q134 HydrophobicContact CG2-CG 3.99Å; I130-Q134 WeakPolarHBondContact O-CB 3.45Å; I130-Q134 VanDerWaalsContact O-CG 3.23Å; I130-Q134 WeakPolarHBondContact O-CG 3.27Å; I130-Q134 PolarHBondContact O-N 2.98Å; Q131-Q134 PolarHBondContact O-N 3.21Å; Y132-Q134 VanDerWaalsContact C-N 3.3Å; Y132-Q134 PolarHBondContact O-N 2.97Å; Q134-V136 VanDerWaalsContact C-N 3.34Å; Q134-R137 WeakPolarHBondContact O-CB 3.39Å; Q134-R137 PolarHBondContact O-N 2.64Å; Q134-R138 WeakPolarHBondContact O-CG 3.49Å; Q134-R138 PolarHBondContact O-N 3.29Å; Q134-I399 HydrophobicContact CB-CD1 3.86Å; Q134-I399 HydrophobicContact CB-CG1 4.21Å; Q134-I399 HydrophobicContact CB-CG2 3.68Å; Q134-I399 HydrophobicContact CG-CD1 4.18Å
135A98.9Very high98.3Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-62-44.817400000110.8Q131 Y132 R137 R138 L139 I399 E403 I406Q131-A135 VanDerWaalsContact O-CB 3.29Å; Q131-A135 WeakPolarHBondContact O-CB 3.18Å; Q131-A135 PolarHBondContact O-N 2.81Å; Y132-A135 PolarHBondContact O-N 3.35Å; A135-R137 PolarHBondContact O-N 2.82Å; A135-R138 PolarHBondContact O-N 3.36Å; A135-L139 VanDerWaalsContact O-CG 3.3Å; A135-L139 WeakPolarHBondContact O-CG 3.38Å; A135-L139 PolarHBondContact O-N 2.96Å; A135-I399 HydrophobicContact CB-CG2 4.37Å; A135-E403 HydrophobicContact CB-CB 4.42Å; A135-I406 HydrophobicContact CB-CD1 3.91Å
136V98.8Very high98.3Very high0 Ų033.9 Ų33.90%018%0.178CC..Hα-helixtrans-61.7-44.1174.4169.50000111.2L56 L58 W76 Y132 I133 Q134 R138 L139 K140 L152 I406L56-V136 HydrophobicContact CD1-CG1 4.4Å; L58-V136 HydrophobicContact CD1-CG1 4.11Å; W76-V136 HydrophobicContact CD2-CG1 4.43Å; W76-V136 HydrophobicContact CE3-CB 4.47Å; W76-V136 HydrophobicContact CE3-CG1 3.74Å; W76-V136 HydrophobicContact CE3-CG2 4.19Å; W76-V136 HydrophobicContact CZ3-CB 4.32Å; W76-V136 HydrophobicContact CZ3-CG1 3.88Å; W76-V136 HydrophobicContact CZ3-CG2 4.2Å; Y132-V136 WeakPolarHBondContact O-CG2 3.34Å; Y132-V136 PolarHBondContact O-N 2.93Å; I133-V136 PolarHBondContact O-N 3Å; Q134-V136 VanDerWaalsContact C-N 3.34Å; V136-R138 PolarHBondContact O-N 3.15Å; V136-L139 PolarHBondContact O-N 3.46Å; V136-K140 HydrophobicContact CG1-CD 4.26Å; V136-K140 HydrophobicContact CG1-CG 4.42Å; V136-K140 WeakPolarHBondContact O-CB 3.5Å; V136-K140 WeakPolarHBondContact O-CG 3.36Å; V136-K140 PolarHBondContact O-N 3.46Å; V136-L152 HydrophobicContact CG2-CD1 4.16Å; V136-L152 HydrophobicContact CG2-CD2 4.29Å; V136-I406 HydrophobicContact CG2-CD1 4Å
137R98.7Very high98.3Very high60 Ų6035.9 Ų35.923%0.22619%0.19CC..Hα-helixtrans-56-48.1175.6-170.4173.3-78.3145.1-11.7112.1E55 L56 I133 Q134 A135 K140 A141E55-R137 IonicContact OE2-CZ 3.35Å; E55-R137 IonicContact OE2-NH2 2.76Å; E55-R137 PolarHBondContact OE2-NH2 3.33Å; L56-R137 HydrophobicContact CD2-CB 3.64Å; L56-R137 HydrophobicContact CD2-CG 3.81Å; I133-R137 WeakPolarHBondContact O-CB 3.43Å; I133-R137 PolarHBondContact O-N 2.83Å; Q134-R137 WeakPolarHBondContact O-CB 3.39Å; Q134-R137 PolarHBondContact O-N 2.64Å; A135-R137 PolarHBondContact O-N 2.82Å; R137-K140 PolarHBondContact O-N 3.29Å; R137-A141 WeakPolarHBondContact O-CB 3.13Å; R137-A141 PolarHBondContact O-N 3.47Å
138R98.6Very high98.3Very high74 Ų7436 Ų3628%0.27919%0.19SC..Hα-helixtrans-64-46-179.9-71.1176-174.9-173.42.6111.8Q134 A135 V136 K140 A141 Q142 E403Q134-R138 WeakPolarHBondContact O-CG 3.49Å; Q134-R138 PolarHBondContact O-N 3.29Å; A135-R138 PolarHBondContact O-N 3.36Å; V136-R138 PolarHBondContact O-N 3.15Å; R138-K140 PolarHBondContact O-N 3.22Å; R138-A141 PolarHBondContact O-N 2.83Å; R138-Q142 VanDerWaalsContact O-CG 3.29Å; R138-Q142 WeakPolarHBondContact O-CG 3.5Å; R138-Q142 PolarHBondContact O-N 3.18Å; R138-E403 WeakPolarHBondContact CD-OE2 3.27Å; R138-E403 IonicContact NH1-OE2 3.46Å
139L98.7Very high98.3Very high5 Ų536.5 Ų36.53%0.02619%0.194CC..Hα-helixtrans-62.5-41.1177.3-69.1168000112W76 A135 V136 Q142 G143 W144 E403 I406 P407W76-L139 HydrophobicContact CH2-CB 3.71Å; W76-L139 HydrophobicContact CZ3-CB 4.18Å; W76-L139 HydrophobicContact CZ3-CD1 4.39Å; A135-L139 VanDerWaalsContact O-CG 3.3Å; A135-L139 WeakPolarHBondContact O-CG 3.38Å; A135-L139 PolarHBondContact O-N 2.96Å; V136-L139 PolarHBondContact O-N 3.46Å; L139-Q142 PolarHBondContact O-N 2.83Å; L139-G143 PolarHBondContact O-N 3.25Å; L139-W144 HydrophobicContact CB-CE3 4.09Å; L139-W144 HydrophobicContact CD1-CE3 4.3Å; L139-W144 HydrophobicContact CD1-CZ3 4.25Å; L139-W144 HydrophobicContact CD2-CD2 4.4Å; L139-W144 HydrophobicContact CD2-CE3 4.39Å; L139-W144 HydrophobicContact CD2-CG 4.49Å; L139-W144 WeakPolarHBondContact O-CB 3.29Å; L139-W144 PolarHBondContact O-N 3.01Å; L139-W144 VanDerWaalsContact O-N 3.07Å; L139-E403 HydrophobicContact CD2-CG 4.01Å; L139-E403 HydrophobicContact CG-CG 4.18Å; L139-I406 HydrophobicContact CD1-CB 4.04Å; L139-I406 HydrophobicContact CD1-CD1 4.44Å; L139-I406 HydrophobicContact CD1-CG2 3.94Å; L139-P407 HydrophobicContact CD1-CG 4.13Å; L139-P407 HydrophobicContact CD2-CG 3.83Å
140K98Very high98.3Very high62 Ų6236.5 Ų36.527%0.2719%0.194SC..Hα-helixtrans-63.9-43.7174.3-75.5-167.867.5146.80112.1L56 E57 L58 W76 V136 R137 R138 Q142 G143L56-K140 WeakPolarHBondContact O-CE 3.36Å; L56-K140 PolarHBondContact O-NZ 2.86Å; E57-K140 PolarHBondContact O-NZ 3.5Å; L58-K140 HydrophobicContact CD2-CD 4.39Å; W76-K140 HydrophobicContact CD2-CG 4.45Å; W76-K140 HydrophobicContact CH2-CG 3.67Å; W76-K140 HydrophobicContact CZ2-CD 4.23Å; W76-K140 HydrophobicContact CZ2-CG 3.36Å; W76-K140 HydrophobicContact CZ3-CG 4.37Å; V136-K140 HydrophobicContact CG1-CD 4.26Å; V136-K140 HydrophobicContact CG1-CG 4.42Å; V136-K140 WeakPolarHBondContact O-CB 3.5Å; V136-K140 WeakPolarHBondContact O-CG 3.36Å; V136-K140 PolarHBondContact O-N 3.46Å; R137-K140 PolarHBondContact O-N 3.29Å; R138-K140 PolarHBondContact O-N 3.22Å; K140-Q142 PolarHBondContact O-N 2.89Å; K140-G143 PolarHBondContact O-N 3.08Å
141A97.9Very high98.3Very high90 Ų9037.1 Ų37.174%0.74420%0.197SC*.Hα-helixtrans-62.6-28.5177.200000112.7R137 R138 G143R137-A141 WeakPolarHBondContact O-CB 3.13Å; R137-A141 PolarHBondContact O-N 3.47Å; R138-A141 PolarHBondContact O-N 2.83Å; A141-G143 PolarHBondContact O-N 2.69Å
142Q97.6Very high98.3Very high126 Ų12637.1 Ų37.159%0.58920%0.197SC*.THydrogen-bonded Turntrans-79-3.2173-67.8165.120.600113.6R138 L139 K140 W144 E403R138-Q142 VanDerWaalsContact O-CG 3.29Å; R138-Q142 WeakPolarHBondContact O-CG 3.5Å; R138-Q142 PolarHBondContact O-N 3.18Å; L139-Q142 PolarHBondContact O-N 2.83Å; K140-Q142 PolarHBondContact O-N 2.89Å; Q142-W144 PolarHBondContact O-N 3.21Å; Q142-E403 PolarHBondContact NE2-OE1 3.19Å
143G97Very high98.3Very high60 Ų6037 Ų3762%0.61920%0.196SC*.THydrogen-bonded Turntrans74.311.8-17700000114.2L139 K140 A141L139-G143 PolarHBondContact O-N 3.25Å; K140-G143 PolarHBondContact O-N 3.08Å; A141-G143 PolarHBondContact O-N 2.69Å
144W97.3Very high98.3Very high68 Ų6837.1 Ų37.126%0.25820%0.197SC..  trans-71147.6177.7-175.688.4000110.8W76 L139 Q142 P146 I406 P407 T410W76-W144 AromaticContact CH2-CE3 3.51Å; W76-W144 HydrophobicContact CH2-CE3 3.51Å; W76-W144 AromaticContact CH2-CZ3 3.73Å; W76-W144 HydrophobicContact CH2-CZ3 3.73Å; W76-W144 HydrophobicContact CZ2-CE3 4.06Å; W76-W144 HydrophobicContact CZ2-CZ3 4.38Å; W76-W144 WeakPolarHBondContact CZ2-O 3.32Å; W76-W144 HydrophobicContact CZ3-CE3 4.13Å; W76-W144 AromaticContact CZ3-CZ3 3.87Å; W76-W144 HydrophobicContact CZ3-CZ3 3.87Å; L139-W144 HydrophobicContact CB-CE3 4.09Å; L139-W144 HydrophobicContact CD1-CE3 4.3Å; L139-W144 HydrophobicContact CD1-CZ3 4.25Å; L139-W144 HydrophobicContact CD2-CD2 4.4Å; L139-W144 HydrophobicContact CD2-CE3 4.39Å; L139-W144 HydrophobicContact CD2-CG 4.49Å; L139-W144 WeakPolarHBondContact O-CB 3.29Å; L139-W144 PolarHBondContact O-N 3.01Å; L139-W144 VanDerWaalsContact O-N 3.07Å; Q142-W144 PolarHBondContact O-N 3.21Å; W144-P146 HydrophobicContact CH2-CB 3.41Å; W144-P146 VanDerWaalsContact CH2-CB 3.41Å; W144-P146 HydrophobicContact CH2-CG 4.45Å; W144-P146 HydrophobicContact CZ2-CB 4.32Å; W144-P146 HydrophobicContact CZ3-CB 3.51Å; W144-P146 HydrophobicContact CZ3-CG 4.08Å; W144-I406 HydrophobicContact CH2-CG2 4.33Å; W144-I406 HydrophobicContact CZ3-CG2 4.3Å; W144-P407 HydrophobicContact CH2-CB 4.17Å; W144-P407 HydrophobicContact CH2-CG 4.13Å; W144-P407 HydrophobicContact CZ2-CB 3.61Å; W144-P407 HydrophobicContact CZ2-CG 3.91Å; W144-T410 VanDerWaalsContact CH2-OG1 3.26Å; W144-T410 WeakPolarHBondContact CH2-OG1 3.43Å
145K96.6Very high98.3Very high155 Ų15536.7 Ų36.767%0.67420%0.195SC*.  trans-131.5131.3176.3-67.6-172.9178.2-176.10109.9T79T79-K145 HydrophobicContact CG2-CB 4.09Å
146P97.9Very high98.2Very high0 Ų036.7 Ų36.70%020%0.195CC..  trans-71.9150.3-179.330.1-34.6000111.3W76 G78 T79 W144 R148 V150 T410W76-P146 HydrophobicContact CD2-CG 3.92Å; W76-P146 VanDerWaalsContact CE2-CD 3.45Å; W76-P146 HydrophobicContact CE3-CG 4.25Å; W76-P146 HydrophobicContact CG-CG 4.21Å; G78-P146 CarbonylContact C-O 3.58Å; G78-P146 WeakPolarHBondContact CA-O 3.39Å; T79-P146 PolarHBondContact N-O 2.97Å; W144-P146 HydrophobicContact CH2-CB 3.41Å; W144-P146 VanDerWaalsContact CH2-CB 3.41Å; W144-P146 HydrophobicContact CH2-CG 4.45Å; W144-P146 HydrophobicContact CZ2-CB 4.32Å; W144-P146 HydrophobicContact CZ3-CB 3.51Å; W144-P146 HydrophobicContact CZ3-CG 4.08Å; P146-R148 VanDerWaalsContact CB-O 3.27Å; P146-R148 WeakPolarHBondContact CB-O 2.94Å; P146-V150 HydrophobicContact CB-CG2 4.12Å; P146-V150 HydrophobicContact CG-CG2 4.28Å; P146-T410 HydrophobicContact CB-CG2 3.95Å
147T98.1Very high98.1Very high42 Ų4237 Ų3726%0.25820%0.196SC..SBendtrans-73.9-51.8173.9-60.10000110.3T79 K80 L83 T410T79-T147 PolarHBondContact N-O 2.9Å; K80-T147 HydrophobicContact CB-CG2 4.34Å; K80-T147 HydrophobicContact CD-CG2 3.99Å; K80-T147 HydrophobicContact CG-CG2 4.22Å; K80-T147 PolarHBondContact N-O 2.76Å; L83-T147 HydrophobicContact CD1-CG2 4.21Å; T147-T410 WeakPolarHBondContact CB-O 3.41Å
148R98.4Very high98Very high2 Ų234.7 Ų34.71%0.00819%0.188CC..SBendtrans-85.1153.4172-65.5170.9176.6-82.2-1.1111.1L83 K84 P146 T410 V412 P413 E418L83-R148 HydrophobicContact CB-CG 4.01Å; L83-R148 HydrophobicContact CD1-CG 4.11Å; K84-R148 VanDerWaalsContact O-CD 3.31Å; K84-R148 WeakPolarHBondContact O-CD 3.02Å; K84-R148 WeakPolarHBondContact O-CG 3.27Å; K84-R148 PolarHBondContact O-NH1 3.31Å; P146-R148 VanDerWaalsContact CB-O 3.27Å; P146-R148 WeakPolarHBondContact CB-O 2.94Å; R148-T410 WeakPolarHBondContact CG-O 3.5Å; R148-T410 PolarHBondContact N-O 2.74Å; R148-V412 VanDerWaalsContact CZ-O 3.28Å; R148-V412 PolarHBondContact NE-O 3.01Å; R148-V412 PolarHBondContact NH2-O 3Å; R148-P413 VanDerWaalsContact NH2-C 3.28Å; R148-P413 PolarHBondContact NH2-O 2.8Å; R148-E418 IonicContact CZ-OE2 3.47Å; R148-E418 VanDerWaalsContact CZ-OE2 3.25Å; R148-E418 IonicContact NH1-OE1 3.78Å; R148-E418 PolarHBondContact NH1-OE1 2.8Å; R148-E418 IonicContact NH1-OE2 3.96Å; R148-E418 PolarHBondContact NH1-OE2 2.95Å; R148-E418 IonicContact NH2-OE1 3.66Å; R148-E418 IonicContact NH2-OE2 2.74Å; R148-E418 PolarHBondContact NH2-OE2 3.27Å
149T98.8Very high97.7Very high12 Ų1232.5 Ų32.57%0.07418%0.181CC..  trans-64141.8171.1-63.80000110.5T75 G78 S85 V86 H151T75-T149 HydrophobicContact CG2-CG2 3.73Å; G78-T149 PolarHBondContact N-OG1 3.06Å; S85-T149 CarbonylContact C-O 3.49Å; S85-T149 VanDerWaalsContact CA-O 3.22Å; S85-T149 WeakPolarHBondContact CA-O 3.4Å; S85-T149 VanDerWaalsContact CB-O 3.24Å; S85-T149 WeakPolarHBondContact CB-O 3.48Å; V86-T149 PolarHBondContact N-O 3.04Å; T149-H151 WeakPolarHBondContact CG2-NE2 3.5Å
150V98.9Very high97.3Very high0 Ų035.7 Ų35.70%020%0.201CC..EExtended strand (participates in β ladder)trans-113130.1172.6-177.80000109.2W76 V86 L88 P146 L152 I406 T410W76-V150 HydrophobicContact CB-CB 4.35Å; W76-V150 PolarHBondContact N-O 2.83Å; W76-V150 PolarHBondContact O-N 2.84Å; V86-V150 WeakPolarHBondContact O-CA 3.47Å; L88-V150 HydrophobicContact CD1-CG1 3.87Å; L88-V150 HydrophobicContact CG-CG1 4.05Å; P146-V150 HydrophobicContact CB-CG2 4.12Å; P146-V150 HydrophobicContact CG-CG2 4.28Å; V150-L152 HydrophobicContact CG1-CD1 4.34Å; V150-I406 HydrophobicContact CG2-CG2 4.34Å; V150-T410 HydrophobicContact CG2-CG2 3.28Å
151H98.9Very high96.9Very high12 Ų1233.4 Ų33.46%0.05620%0.195CC..EExtended strand (participates in β ladder)trans-110.6128.3171-60.2-68.3000109.4I73 M74 T75 S85 V86 L87 L88 T149 L178I73-H151 HydrophobicContact CG2-CB 4.1Å; M74-H151 WeakPolarHBondContact O-CA 3.42Å; T75-H151 VanDerWaalsContact CG2-CE1 3.45Å; T75-H151 WeakPolarHBondContact CG2-CE1 2.88Å; T75-H151 PolarHBondContact OG1-CE1 3.16Å; T75-H151 PolarHBondContact OG1-ND1 3.44Å; S85-H151 PolarHBondContact OG-CD2 3.22Å; S85-H151 VanDerWaalsContact OG-CD2 3.31Å; V86-H151 PolarHBondContact O-N 3.31Å; L87-H151 HydrophobicContact CD1-CB 3.96Å; L88-H151 PolarHBondContact N-O 2.88Å; T149-H151 WeakPolarHBondContact CG2-NE2 3.5Å; H151-L178 PolarHBondContact NE2-O 3.09Å
152L98.9Very high96.7Very high0 Ų029.1 Ų29.10%016%0.159CC..EExtended strand (participates in β ladder)trans-97.4118164.7-62.978.7000106.4I73 M74 L88 I133 V136 V150 F154I73-L152 CarbonylContact C-O 3.58Å; I73-L152 WeakPolarHBondContact CA-O 3.48Å; M74-L152 HydrophobicContact CB-CB 4.33Å; M74-L152 PolarHBondContact N-O 2.89Å; M74-L152 PolarHBondContact O-N 2.82Å; L88-L152 HydrophobicContact CD1-CG 4.29Å; L88-L152 WeakPolarHBondContact O-CA 3.45Å; I133-L152 HydrophobicContact CG1-CD2 4.04Å; V136-L152 HydrophobicContact CG2-CD1 4.16Å; V136-L152 HydrophobicContact CG2-CD2 4.29Å; V150-L152 HydrophobicContact CG1-CD1 4.34Å; L152-F154 HydrophobicContact CB-CE2 3.98Å; L152-F154 HydrophobicContact CB-CZ 3.73Å; L152-F154 HydrophobicContact CD2-CZ 4.29Å
153M98.9Very high96.4Very high0 Ų026.3 Ų26.30%015%0.146CC..EExtended strand (participates in β ladder)trans-117.2132-176.1-174.5168.275.600110.3V71 S72 I73 L87 L88 N89 S90 V155 M166 F169 L178V71-M153 HydrophobicContact CG1-CG 3.78Å; V71-M153 HydrophobicContact CG1-SD 4Å; S72-M153 CarbonylContact O-C 3.56Å; S72-M153 WeakPolarHBondContact O-CA 3.33Å; I73-M153 HydrophobicContact CD1-SD 4.5Å; I73-M153 HydrophobicContact CG1-CG 4.05Å; I73-M153 HydrophobicContact CG1-SD 4.41Å; L87-M153 HydrophobicContact CD1-CB 3.52Å; L87-M153 HydrophobicContact CD1-CE 4.02Å; L87-M153 HydrophobicContact CD1-CG 4.46Å; L87-M153 HydrophobicContact CD1-SD 4.18Å; L87-M153 HydrophobicContact CD2-CE 3.6Å; L87-M153 HydrophobicContact CG-CE 4.33Å; L88-M153 PolarHBondContact O-N 3.47Å; N89-M153 HydrophobicContact CB-CE 4.49Å; N89-M153 WeakPolarHBondContact OD1-CE 3.31Å; S90-M153 PolarHBondContact N-O 3.36Å; S90-M153 PolarHBondContact OG-O 3.5Å; M153-V155 HydrophobicContact CE-CG2 3.9Å; M153-V155 HydrophobicContact CG-CG2 3.76Å; M153-V155 HydrophobicContact SD-CG2 4.27Å; M153-M166 HydrophobicContact CE-CE 3.21Å; M153-M166 HydrophobicContact CE-SD 3.96Å; M153-F169 HydrophobicContact SD-CD1 3.88Å; M153-F169 HydrophobicContact SD-CE1 3.51Å; M153-F169 VanDerWaalsContact SD-CE1 3.51Å; M153-L178 HydrophobicContact SD-CD1 4.42Å
154F98.7Very high96.3Very high2 Ų229.1 Ų29.11%0.00914%0.141CC..EExtended strand (participates in β ladder)trans-120.4114.2-177-48.5-76.8000108L49 S72 M74 S90 T92 T129 I133 L152L49-F154 HydrophobicContact CD1-CB 3.73Å; L49-F154 HydrophobicContact CD1-CD1 4.32Å; L49-F154 HydrophobicContact CD1-CD2 3.77Å; L49-F154 HydrophobicContact CD1-CG 3.65Å; L49-F154 HydrophobicContact CD2-CD1 4.03Å; L49-F154 HydrophobicContact CD2-CD2 3.98Å; L49-F154 HydrophobicContact CD2-CE1 3.98Å; L49-F154 HydrophobicContact CD2-CE2 3.91Å; L49-F154 HydrophobicContact CD2-CG 4.03Å; L49-F154 HydrophobicContact CD2-CZ 3.9Å; L49-F154 HydrophobicContact CG-CD2 4.43Å; S72-F154 PolarHBondContact N-O 3.42Å; S72-F154 PolarHBondContact O-N 2.87Å; M74-F154 HydrophobicContact CE-CE2 3.7Å; M74-F154 HydrophobicContact CE-CZ 4.23Å; M74-F154 HydrophobicContact CG-CE2 4.04Å; M74-F154 HydrophobicContact SD-CE2 3.99Å; M74-F154 HydrophobicContact SD-CZ 4.38Å; S90-F154 CarbonylContact O-C 3.29Å; S90-F154 VanDerWaalsContact O-CA 3.24Å; S90-F154 WeakPolarHBondContact O-CA 3.49Å; S90-F154 VanDerWaalsContact OG-CD1 3.3Å; S90-F154 WeakPolarHBondContact OG-CD1 3.43Å; T92-F154 HydrophobicContact CG2-CB 3.74Å; T129-F154 HydrophobicContact CG2-CD1 4Å; T129-F154 HydrophobicContact CG2-CE1 3.71Å; I133-F154 HydrophobicContact CD1-CE1 4.22Å; I133-F154 HydrophobicContact CD1-CZ 4.12Å; I133-F154 HydrophobicContact CG1-CZ 4.29Å; L152-F154 HydrophobicContact CB-CE2 3.98Å; L152-F154 HydrophobicContact CB-CZ 3.73Å; L152-F154 HydrophobicContact CD2-CZ 4.29Å
155V98.2Very high96.3Very high0 Ų025.9 Ų25.90%013%0.129CC..EExtended strand (participates in β ladder)trans-114.4142-168.2178.40000110V71 S90 H91 T92 M153 M166 D359V71-V155 HydrophobicContact CG1-CG2 4.09Å; V71-V155 HydrophobicContact CG2-CG1 4.5Å; V71-V155 HydrophobicContact CG2-CG2 4.47Å; S90-V155 PolarHBondContact O-N 3.38Å; H91-V155 CarbonylContact C-O 3.59Å; H91-V155 WeakPolarHBondContact CA-O 3.08Å; T92-V155 PolarHBondContact N-O 3.21Å; T92-V155 PolarHBondContact OG1-O 3.45Å; T92-V155 VanDerWaalsContact OG1-O 3.12Å; M153-V155 HydrophobicContact CE-CG2 3.9Å; M153-V155 HydrophobicContact CG-CG2 3.76Å; M153-V155 HydrophobicContact SD-CG2 4.27Å; V155-M166 HydrophobicContact CB-CE 4.46Å; V155-M166 HydrophobicContact CG1-CB 4.11Å; V155-M166 HydrophobicContact CG1-CE 4.38Å; V155-M166 HydrophobicContact CG2-CE 3.67Å; V155-D359 WeakPolarHBondContact CG1-OD2 3.48Å
156P97.4Very high96.3Very high0 Ų018.5 Ų18.50%010%0.097CC..SBendtrans-90.7166.7169.736.9-34.7000110.9Y42 R69 D93 E158 G165Y42-P156 HydrophobicContact CD1-CB 4.28Å; Y42-P156 HydrophobicContact CD2-CB 4.4Å; Y42-P156 HydrophobicContact CE1-CB 3.67Å; Y42-P156 HydrophobicContact CE2-CB 3.77Å; Y42-P156 WeakPolarHBondContact OH-CB 3.3Å; R69-P156 HydrophobicContact CB-CG 3.94Å; D93-P156 WeakPolarHBondContact OD1-CA 3.24Å; P156-E158 PolarHBondContact O-N 2.86Å; P156-G165 WeakPolarHBondContact O-CA 3.44Å
157D96Very high96.2Very high7 Ų722 Ų224%0.03711%0.113CC..  trans81.83.1162-147.275.5000114.6Y42 R69 D93 E159 V160 G161 G162 K164Y42-D157 PolarHBondContact OH-N 3.2Å; Y42-D157 VanDerWaalsContact OH-N 3.09Å; R69-D157 IonicContact CZ-OD1 2.76Å; R69-D157 IonicContact NE-OD1 3.17Å; R69-D157 PolarHBondContact NE-OD1 3.05Å; R69-D157 IonicContact NH2-OD1 3.84Å; R69-D157 PolarHBondContact NH2-OD1 2.96Å; D93-D157 PolarHBondContact OD1-N 2.93Å; D93-D157 WeakPolarHBondContact OD2-CA 3.24Å; D93-D157 PolarHBondContact OD2-N 2.89Å; D157-E159 PolarHBondContact O-N 2.61Å; D157-V160 HydrophobicContact CB-CG2 4.24Å; D157-V160 VanDerWaalsContact CG-CG2 3.44Å; D157-V160 VanDerWaalsContact O-CG2 3.23Å; D157-V160 WeakPolarHBondContact O-CG2 3.42Å; D157-V160 PolarHBondContact O-N 2.63Å; D157-V160 WeakPolarHBondContact OD1-CG2 3.5Å; D157-G161 PolarHBondContact O-N 3.47Å; D157-G162 VanDerWaalsContact O-CA 3.28Å; D157-G162 WeakPolarHBondContact O-CA 3.42Å; D157-G162 PolarHBondContact O-N 2.91Å; D157-K164 WeakPolarHBondContact OD2-CB 3.23Å; D157-K164 PolarHBondContact OD2-N 2.91Å
158E96.4Very high96.2Very high12 Ų1222.2 Ų22.26%0.05611%0.114CC..G310 helixtrans-57.7-48.8-177.7-160.6-61.7134.700110.8H91 D93 P156 V160 G161 G162 T358 D359 R361H91-E158 HydrophobicContact CB-CB 3.42Å; H91-E158 VanDerWaalsContact CB-CB 3.42Å; H91-E158 HydrophobicContact CB-CG 4.01Å; H91-E158 IonicContact CD2-OE2 3.76Å; D93-E158 PolarHBondContact OD2-N 3.27Å; P156-E158 PolarHBondContact O-N 2.86Å; E158-V160 PolarHBondContact O-N 2.85Å; E158-G161 WeakPolarHBondContact O-CA 3.43Å; E158-G161 PolarHBondContact O-N 3.41Å; E158-G162 PolarHBondContact O-N 2.91Å; E158-T358 WeakPolarHBondContact OE1-CA 3.2Å; E158-D359 HydrophobicContact CG-CB 4.41Å; E158-R361 IonicContact OE1-NH1 2.64Å
159E94Very high96.2Very high27 Ų2722.1 Ų22.113%0.12611%0.114CC..G310 helixtrans-67.6-8.9-172.9-67.2-86.8-126.300113.5D93 V95 D157 H384D93-E159 WeakPolarHBondContact OD2-CB 3.31Å; D93-E159 PolarHBondContact OD2-N 3.38Å; V95-E159 HydrophobicContact CG1-CB 4.08Å; V95-E159 HydrophobicContact CG1-CG 4.31Å; V95-E159 VanDerWaalsContact CG1-OE2 3.28Å; V95-E159 WeakPolarHBondContact CG1-OE2 3.32Å; V95-E159 PolarHBondContact N-OE1 3.09Å; V95-E159 VanDerWaalsContact N-OE1 3.14Å; D157-E159 PolarHBondContact O-N 2.61Å; E159-H384 IonicContact OE1-CD2 3.18Å; E159-H384 IonicContact OE1-NE2 3.6Å; E159-H384 PolarHBondContact OE1-NE2 2.73Å; E159-H384 IonicContact OE2-CD2 3.41Å; E159-H384 IonicContact OE2-CE1 3.71Å; E159-H384 PolarHBondContact OE2-CE1 2.82Å; E159-H384 IonicContact OE2-NE2 2.6Å; E159-H384 PolarHBondContact OE2-NE2 2.96Å
160V90.3Very high96.1Very high73 Ų7321.9 Ų21.944%0.44211%0.113SC..G310 helixtrans-116.513.7174.3-65.90000112.7D157 E158D157-V160 HydrophobicContact CB-CG2 4.24Å; D157-V160 VanDerWaalsContact CG-CG2 3.44Å; D157-V160 VanDerWaalsContact O-CG2 3.23Å; D157-V160 WeakPolarHBondContact O-CG2 3.42Å; D157-V160 PolarHBondContact O-N 2.63Å; D157-V160 WeakPolarHBondContact OD1-CG2 3.5Å; E158-V160 PolarHBondContact O-N 2.85Å
161G88.7Confident96Very high14 Ų1427 Ų2714%0.14414%0.144CC..THydrogen-bonded Turntrans112.40.1171.600000115.5D157 E158 H163 R361D157-G161 PolarHBondContact O-N 3.47Å; E158-G161 WeakPolarHBondContact O-CA 3.43Å; E158-G161 PolarHBondContact O-N 3.41Å; G161-H163 PolarHBondContact O-N 2.87Å; G161-R361 PolarHBondContact O-NH2 3.2Å
162G92.8Very high95.9Very high0 Ų029.4 Ų29.40%016%0.155CC..SBendtrans66.65.6175.200000115.2D157 E158 K164 G165 M166 E167D157-G162 VanDerWaalsContact O-CA 3.28Å; D157-G162 WeakPolarHBondContact O-CA 3.42Å; D157-G162 PolarHBondContact O-N 2.91Å; E158-G162 PolarHBondContact O-N 2.91Å; G162-K164 PolarHBondContact O-N 3.31Å; G162-G165 CarbonylContact O-C 3.57Å; G162-G165 PolarHBondContact O-N 2.68Å; G162-G165 VanDerWaalsContact O-N 3.15Å; G162-M166 PolarHBondContact O-N 2.98Å; G162-E167 PolarHBondContact O-N 3.39Å
163H92.9Very high95.9Very high67 Ų6733.5 Ų33.531%0.3118%0.182SC..Iπ-helixtrans-62.9-43.3-174-64.9-61.5000112.3G161 G165 E167 T168 H320G161-H163 PolarHBondContact O-N 2.87Å; H163-G165 VanDerWaalsContact C-N 3.32Å; H163-E167 WeakPolarHBondContact CA-OE2 3.26Å; H163-E167 IonicContact CE1-OE2 3.01Å; H163-E167 IonicContact CG-OE2 3.48Å; H163-E167 IonicContact ND1-OE2 3.99Å; H163-E167 PolarHBondContact ND1-OE2 2.86Å; H163-T168 PolarHBondContact O-OG1 3.07Å; H163-H320 AromaticContact CE1-CE1 3.9Å
164K95.1Very high95.8Very high119 Ų11935 Ų3552%0.51719%0.189SC..Iπ-helixtrans-91.62.2177.7-57.1176.2-179.3172.10112.7V65 C66 R69 D157 G162V65-K164 VanDerWaalsContact CG2-O 3.32Å; V65-K164 WeakPolarHBondContact CG2-O 3.38Å; C66-K164 HydrophobicContact CB-CB 4.18Å; R69-K164 HydrophobicContact CG-CB 4.29Å; D157-K164 WeakPolarHBondContact OD2-CB 3.23Å; D157-K164 PolarHBondContact OD2-N 2.91Å; G162-K164 PolarHBondContact O-N 3.31Å
165G96.4Very high95.8Very high0 Ų035 Ų350%019%0.189CC..Iπ-helixtrans-110.2-109.8177.700000111.1P156 G162 H163 E167 T168 F169P156-G165 WeakPolarHBondContact O-CA 3.44Å; G162-G165 CarbonylContact O-C 3.57Å; G162-G165 PolarHBondContact O-N 2.68Å; G162-G165 VanDerWaalsContact O-N 3.15Å; H163-G165 VanDerWaalsContact C-N 3.32Å; G165-E167 PolarHBondContact O-N 2.76Å; G165-T168 PolarHBondContact O-N 2.85Å; G165-F169 PolarHBondContact O-N 3.48Å
166M97.4Very high95.8Very high0 Ų040.7 Ų40.70%022%0.216CC..Iπ-helixtrans-56.3-43.2-175.8-176.463.76900113.7N89 M153 V155 G162 T168 F169 V170 F175 D359 F362 I363N89-M166 WeakPolarHBondContact OD1-CE 3.4Å; M153-M166 HydrophobicContact CE-CE 3.21Å; M153-M166 HydrophobicContact CE-SD 3.96Å; V155-M166 HydrophobicContact CB-CE 4.46Å; V155-M166 HydrophobicContact CG1-CB 4.11Å; V155-M166 HydrophobicContact CG1-CE 4.38Å; V155-M166 HydrophobicContact CG2-CE 3.67Å; G162-M166 PolarHBondContact O-N 2.98Å; M166-T168 VanDerWaalsContact C-N 3.29Å; M166-T168 PolarHBondContact O-N 2.78Å; M166-F169 PolarHBondContact O-N 2.97Å; M166-V170 HydrophobicContact CG-CG1 3.98Å; M166-V170 WeakPolarHBondContact O-CG1 3.37Å; M166-V170 PolarHBondContact O-N 3.43Å; M166-V170 HydrophobicContact SD-CG1 3.62Å; M166-F175 HydrophobicContact SD-CE2 4.46Å; M166-D359 HydrophobicContact CB-CB 4.12Å; M166-D359 WeakPolarHBondContact CB-OD1 3.22Å; M166-D359 HydrophobicContact CE-CB 3.91Å; M166-D359 HydrophobicContact CG-CB 4.02Å; M166-F362 HydrophobicContact CB-CD2 3.83Å; M166-F362 HydrophobicContact CG-CB 3.64Å; M166-F362 HydrophobicContact CG-CD2 3.81Å; M166-F362 HydrophobicContact CG-CG 4.14Å; M166-I363 HydrophobicContact CE-CD1 4.15Å; M166-I363 HydrophobicContact CE-CG1 4.39Å; M166-I363 HydrophobicContact SD-CD1 4.41Å; M166-I363 HydrophobicContact SD-CG1 4.01Å
167E95.8Very high95.8Very high73 Ų7347.3 Ų47.334%0.34124%0.244SC..Iπ-helixtrans-59.4-43.3-177.6-171.7172.5-143.800111.6G162 H163 G165 V170 F362G162-E167 PolarHBondContact O-N 3.39Å; H163-E167 WeakPolarHBondContact CA-OE2 3.26Å; H163-E167 IonicContact CE1-OE2 3.01Å; H163-E167 IonicContact CG-OE2 3.48Å; H163-E167 IonicContact ND1-OE2 3.99Å; H163-E167 PolarHBondContact ND1-OE2 2.86Å; G165-E167 PolarHBondContact O-N 2.76Å; E167-V170 VanDerWaalsContact O-CG2 3.29Å; E167-V170 WeakPolarHBondContact O-CG2 3.41Å; E167-F362 HydrophobicContact CB-CD1 3.68Å; E167-F362 HydrophobicContact CB-CD2 4.3Å; E167-F362 HydrophobicContact CB-CE1 3.46Å; E167-F362 VanDerWaalsContact CB-CE1 3.46Å; E167-F362 HydrophobicContact CB-CE2 4.08Å; E167-F362 HydrophobicContact CB-CG 4.1Å; E167-F362 HydrophobicContact CB-CZ 3.66Å; E167-F362 VanDerWaalsContact CD-CE1 3.45Å; E167-F362 HydrophobicContact CG-CD1 3.7Å; E167-F362 HydrophobicContact CG-CE1 3.48Å; E167-F362 VanDerWaalsContact CG-CE1 3.48Å; E167-F362 HydrophobicContact CG-CZ 4.15Å
168T97.2Very high95.9Very high46 Ų4647.8 Ų47.828%0.28225%0.247SC..Hα-helixtrans-67.2-42.3174.2-60.50000110.1V65 H163 G165 M166 T171V65-T168 HydrophobicContact CB-CG2 3.98Å; H163-T168 PolarHBondContact O-OG1 3.07Å; G165-T168 PolarHBondContact O-N 2.85Å; M166-T168 VanDerWaalsContact C-N 3.29Å; M166-T168 PolarHBondContact O-N 2.78Å; T168-T171 PolarHBondContact O-N 3.28Å; T168-T171 PolarHBondContact O-OG1 3.27Å
169F98.4Very high95.9Very high0 Ų049.6 Ų49.60%026%0.257CS..Hα-helixtrans-67.2-39.1-174.9-169.8-125.4000114.3I63 V65 V71 I73 M153 G165 M166 T171 H172 E174 F175 L178I63-F169 HydrophobicContact CB-CE2 4.33Å; I63-F169 HydrophobicContact CD1-CE2 3.62Å; I63-F169 HydrophobicContact CD1-CZ 3.8Å; I63-F169 HydrophobicContact CG2-CD2 4.49Å; I63-F169 HydrophobicContact CG2-CE2 4.1Å; V65-F169 HydrophobicContact CG1-CB 3.97Å; V65-F169 HydrophobicContact CG1-CD2 3.56Å; V65-F169 HydrophobicContact CG1-CG 4.14Å; V71-F169 HydrophobicContact CB-CD1 4.48Å; V71-F169 HydrophobicContact CB-CD2 4.46Å; V71-F169 HydrophobicContact CB-CG 4.4Å; V71-F169 HydrophobicContact CG1-CD1 3.9Å; V71-F169 HydrophobicContact CG1-CE1 3.86Å; V71-F169 HydrophobicContact CG1-CG 4.3Å; V71-F169 HydrophobicContact CG1-CZ 4.25Å; V71-F169 HydrophobicContact CG2-CB 4.09Å; V71-F169 HydrophobicContact CG2-CD1 4.28Å; V71-F169 HydrophobicContact CG2-CD2 4.3Å; V71-F169 HydrophobicContact CG2-CG 3.95Å; I73-F169 HydrophobicContact CD1-CE1 4.01Å; I73-F169 HydrophobicContact CD1-CZ 3.65Å; M153-F169 HydrophobicContact SD-CD1 3.88Å; M153-F169 HydrophobicContact SD-CE1 3.51Å; M153-F169 VanDerWaalsContact SD-CE1 3.51Å; G165-F169 PolarHBondContact O-N 3.48Å; M166-F169 PolarHBondContact O-N 2.97Å; F169-T171 PolarHBondContact O-N 3.44Å; F169-T171 VanDerWaalsContact O-N 3.09Å; F169-H172 HydrophobicContact CD2-CB 3.91Å; F169-H172 HydrophobicContact CE2-CB 4.29Å; F169-H172 WeakPolarHBondContact O-CA 3Å; F169-H172 WeakPolarHBondContact O-CB 3.47Å; F169-H172 PolarHBondContact O-N 2.96Å; F169-E174 HydrophobicContact CE2-CB 4.17Å; F169-E174 HydrophobicContact CZ-CB 4.46Å; F169-F175 HydrophobicContact CD1-CB 4.24Å; F169-F175 AromaticContact CD1-CD2 3.65Å; F169-F175 HydrophobicContact CD1-CD2 3.65Å; F169-F175 HydrophobicContact CD1-CG 4.41Å; F169-F175 HydrophobicContact CE1-CB 3.96Å; F169-F175 AromaticContact CE1-CD2 3.59Å; F169-F175 HydrophobicContact CE1-CD2 3.59Å; F169-F175 HydrophobicContact CE1-CG 4.27Å; F169-F175 HydrophobicContact CE2-CB 4.31Å; F169-F175 HydrophobicContact CZ-CB 3.98Å; F169-F175 HydrophobicContact CZ-CD2 4.43Å; F169-F175 WeakPolarHBondContact O-CB 3.39Å; F169-L178 HydrophobicContact CE1-CD1 4.17Å; F169-L178 HydrophobicContact CZ-CD1 4.37Å
170V97.7Very high96.2Very high7 Ų748.9 Ų48.94%0.04225%0.254CS..Hα-helixtrans-61.2-23.3-179.6-65.70000113M166 E167 F175 Q176 F362 V366M166-V170 HydrophobicContact CG-CG1 3.98Å; M166-V170 WeakPolarHBondContact O-CG1 3.37Å; M166-V170 PolarHBondContact O-N 3.43Å; M166-V170 HydrophobicContact SD-CG1 3.62Å; E167-V170 VanDerWaalsContact O-CG2 3.29Å; E167-V170 WeakPolarHBondContact O-CG2 3.41Å; V170-F175 HydrophobicContact CB-CD1 4.39Å; V170-F175 HydrophobicContact CB-CE1 4.31Å; V170-F175 HydrophobicContact CB-CZ 4.39Å; V170-F175 HydrophobicContact CG1-CD2 4.23Å; V170-F175 HydrophobicContact CG1-CE1 4.24Å; V170-F175 HydrophobicContact CG1-CE2 3.81Å; V170-F175 HydrophobicContact CG1-CZ 3.83Å; V170-Q176 PolarHBondContact O-NE2 3.37Å; V170-F362 HydrophobicContact CG1-CB 4.12Å; V170-F362 HydrophobicContact CG2-CB 4.24Å; V170-V366 HydrophobicContact CB-CG1 4.02Å; V170-V366 HydrophobicContact CB-CG2 4.35Å; V170-V366 HydrophobicContact CG2-CG1 4.12Å
171T96.3Very high96.5Very high109 Ų10945.9 Ų45.967%0.66924%0.237SC*.THydrogen-bonded Turntrans-88-12174.373.20000113.6T168 F169T168-T171 PolarHBondContact O-N 3.28Å; T168-T171 PolarHBondContact O-OG1 3.27Å; F169-T171 PolarHBondContact O-N 3.44Å; F169-T171 VanDerWaalsContact O-N 3.09Å
172H97.6Very high97Very high62 Ų6245.2 Ų45.229%0.28723%0.23SC..SBendtrans-76.2141.3-176.4-168.3-92.6000111.4F169 E174 F175F169-H172 HydrophobicContact CD2-CB 3.91Å; F169-H172 HydrophobicContact CE2-CB 4.29Å; F169-H172 WeakPolarHBondContact O-CA 3Å; F169-H172 WeakPolarHBondContact O-CB 3.47Å; F169-H172 PolarHBondContact O-N 2.96Å; H172-E174 VanDerWaalsContact CE1-CG 3.47Å; H172-E174 WeakPolarHBondContact CE1-CG 3.26Å; H172-E174 WeakPolarHBondContact ND1-CB 3.42Å; H172-E174 PolarHBondContact ND1-N 3.43Å; H172-E174 PolarHBondContact O-N 3.09Å; H172-F175 WeakPolarHBondContact O-CB 3.38Å; H172-F175 PolarHBondContact O-N 3.08Å
173P97.3Very high97.3Very high85 Ų8545.2 Ų45.255%0.55223%0.23SC*.Hα-helixtrans-57.6-28.1-178.2-27.635.1000114.7Q176 K177P173-Q176 PolarHBondContact O-N 3.35Å; P173-K177 WeakPolarHBondContact O-CG 3.42Å; P173-K177 PolarHBondContact O-N 3.42Å
174E97.8Very high97.6Very high32 Ų3242 Ų4215%0.1522%0.216CC..Hα-helixtrans-70.2-31.6177.4-67.5-64.4158.200113.5K61 I63 F169 H172 Q176 K177 L178K61-E174 WeakPolarHBondContact CE-OE2 3.43Å; K61-E174 IonicContact NZ-OE1 3.68Å; K61-E174 PolarHBondContact NZ-OE1 3.44Å; K61-E174 IonicContact NZ-OE2 2.83Å; K61-E174 PolarHBondContact NZ-OE2 3.41Å; I63-E174 HydrophobicContact CD1-CB 3.46Å; I63-E174 VanDerWaalsContact CD1-CB 3.46Å; I63-E174 HydrophobicContact CD1-CG 3.87Å; I63-E174 HydrophobicContact CG1-CG 4.47Å; F169-E174 HydrophobicContact CE2-CB 4.17Å; F169-E174 HydrophobicContact CZ-CB 4.46Å; H172-E174 VanDerWaalsContact CE1-CG 3.47Å; H172-E174 WeakPolarHBondContact CE1-CG 3.26Å; H172-E174 WeakPolarHBondContact ND1-CB 3.42Å; H172-E174 PolarHBondContact ND1-N 3.43Å; H172-E174 PolarHBondContact O-N 3.09Å; E174-Q176 VanDerWaalsContact C-N 3.31Å; E174-Q176 PolarHBondContact O-N 3.4Å; E174-K177 PolarHBondContact O-N 2.81Å; E174-K177 IonicContact OE1-NZ 3.7Å; E174-K177 PolarHBondContact OE1-NZ 3.01Å; E174-K177 WeakPolarHBondContact OE2-CD 3.35Å; E174-K177 IonicContact OE2-NZ 3.37Å; E174-L178 PolarHBondContact O-N 3.5Å
175F98.6Very high97.7Very high3 Ų336.4 Ų36.41%0.01319%0.191CC..Hα-helixtrans-63.1-42.1174.1-179-89.6000110.7M166 F169 V170 H172 K177 L178 I180 V366 I368M166-F175 HydrophobicContact SD-CE2 4.46Å; F169-F175 HydrophobicContact CD1-CB 4.24Å; F169-F175 AromaticContact CD1-CD2 3.65Å; F169-F175 HydrophobicContact CD1-CD2 3.65Å; F169-F175 HydrophobicContact CD1-CG 4.41Å; F169-F175 HydrophobicContact CE1-CB 3.96Å; F169-F175 AromaticContact CE1-CD2 3.59Å; F169-F175 HydrophobicContact CE1-CD2 3.59Å; F169-F175 HydrophobicContact CE1-CG 4.27Å; F169-F175 HydrophobicContact CE2-CB 4.31Å; F169-F175 HydrophobicContact CZ-CB 3.98Å; F169-F175 HydrophobicContact CZ-CD2 4.43Å; F169-F175 WeakPolarHBondContact O-CB 3.39Å; V170-F175 HydrophobicContact CB-CD1 4.39Å; V170-F175 HydrophobicContact CB-CE1 4.31Å; V170-F175 HydrophobicContact CB-CZ 4.39Å; V170-F175 HydrophobicContact CG1-CD2 4.23Å; V170-F175 HydrophobicContact CG1-CE1 4.24Å; V170-F175 HydrophobicContact CG1-CE2 3.81Å; V170-F175 HydrophobicContact CG1-CZ 3.83Å; H172-F175 WeakPolarHBondContact O-CB 3.38Å; H172-F175 PolarHBondContact O-N 3.08Å; F175-K177 VanDerWaalsContact C-N 3.27Å; F175-K177 PolarHBondContact O-N 3.18Å; F175-L178 HydrophobicContact CD2-CD1 4.33Å; F175-L178 VanDerWaalsContact O-CB 3.29Å; F175-L178 WeakPolarHBondContact O-CB 3.39Å; F175-L178 PolarHBondContact O-N 3.02Å; F175-L178 VanDerWaalsContact O-N 3.08Å; F175-I180 HydrophobicContact CD2-CD1 4.31Å; F175-I180 HydrophobicContact CE1-CD1 4.39Å; F175-I180 HydrophobicContact CE2-CD1 3.75Å; F175-I180 HydrophobicContact CZ-CD1 3.79Å; F175-V366 HydrophobicContact CE1-CG2 3.87Å; F175-V366 HydrophobicContact CZ-CG2 4.31Å; F175-I368 HydrophobicContact CE1-CD1 3.57Å; F175-I368 HydrophobicContact CZ-CD1 3.76Å
176Q97.1Very high97.7Very high119 Ų11936.8 Ų36.856%0.55619%0.193SC*.Hα-helixtrans-62.2-34.5176.8-59.8-59.4-35.400112.4V170 P173 E174 L178 N179V170-Q176 PolarHBondContact O-NE2 3.37Å; P173-Q176 PolarHBondContact O-N 3.35Å; E174-Q176 VanDerWaalsContact C-N 3.31Å; E174-Q176 PolarHBondContact O-N 3.4Å; Q176-L178 PolarHBondContact O-N 3.46Å; Q176-N179 PolarHBondContact O-N 2.99Å
177K97.9Very high97.6Very high139 Ų13937 Ų3760%0.60420%0.196SC*.Hα-helixtrans-68.1-18.3176.7-68.3175.4-166.5172.70113.7P173 E174 F175 N179P173-K177 WeakPolarHBondContact O-CG 3.42Å; P173-K177 PolarHBondContact O-N 3.42Å; E174-K177 PolarHBondContact O-N 2.81Å; E174-K177 IonicContact OE1-NZ 3.7Å; E174-K177 PolarHBondContact OE1-NZ 3.01Å; E174-K177 WeakPolarHBondContact OE2-CD 3.35Å; E174-K177 IonicContact OE2-NZ 3.37Å; F175-K177 VanDerWaalsContact C-N 3.27Å; F175-K177 PolarHBondContact O-N 3.18Å; K177-N179 PolarHBondContact O-N 3.43Å
178L98.4Very high97.5Very high16 Ų1634.8 Ų34.88%0.08419%0.186CC..THydrogen-bonded Turntrans-68.4-19.6174.8-57.3174.7000111.7I73 S85 H151 M153 F169 E174 F175 Q176 I180I73-L178 HydrophobicContact CD1-CD1 3.99Å; I73-L178 HydrophobicContact CD1-CD2 4.06Å; I73-L178 HydrophobicContact CG2-CD2 4.09Å; S85-L178 WeakPolarHBondContact CB-O 3.43Å; S85-L178 PolarHBondContact OG-O 2.93Å; H151-L178 PolarHBondContact NE2-O 3.09Å; M153-L178 HydrophobicContact SD-CD1 4.42Å; F169-L178 HydrophobicContact CE1-CD1 4.17Å; F169-L178 HydrophobicContact CZ-CD1 4.37Å; E174-L178 PolarHBondContact O-N 3.5Å; F175-L178 HydrophobicContact CD2-CD1 4.33Å; F175-L178 VanDerWaalsContact O-CB 3.29Å; F175-L178 WeakPolarHBondContact O-CB 3.39Å; F175-L178 PolarHBondContact O-N 3.02Å; F175-L178 VanDerWaalsContact O-N 3.08Å; Q176-L178 PolarHBondContact O-N 3.46Å; L178-I180 VanDerWaalsContact C-N 3.26Å; L178-I180 HydrophobicContact CB-CD1 3.76Å; L178-I180 HydrophobicContact CB-CG1 3.64Å; L178-I180 HydrophobicContact CD1-CD1 3.81Å; L178-I180 HydrophobicContact CG-CD1 4.44Å; L178-I180 PolarHBondContact O-N 2.66Å
179N97.6Very high97.5Very high51 Ų5132.7 Ų32.727%0.27317%0.173SC..  trans54.341.8177.3-166.241.3000112.7T82 L83 K84 S85 Q176 K177T82-N179 PolarHBondContact O-ND2 3.25Å; L83-N179 PolarHBondContact O-ND2 3.44Å; K84-N179 CarbonylContact C-O 3.48Å; K84-N179 WeakPolarHBondContact CA-O 3.46Å; K84-N179 VanDerWaalsContact CD-O 3.3Å; K84-N179 WeakPolarHBondContact CD-O 3.43Å; K84-N179 VanDerWaalsContact CD-OD1 3.25Å; K84-N179 WeakPolarHBondContact CD-OD1 3.49Å; K84-N179 WeakPolarHBondContact CE-OD1 3.33Å; K84-N179 PolarHBondContact NZ-OD1 2.98Å; S85-N179 PolarHBondContact N-O 3.28Å; S85-N179 PolarHBondContact OG-O 2.83Å; Q176-N179 PolarHBondContact O-N 2.99Å; K177-N179 PolarHBondContact O-N 3.43Å
180I98.6Very high97.4Very high11 Ų1133.4 Ų33.46%0.05618%0.177CC..EExtended strand (participates in β ladder)trans-70133.7-172.9-57.5154.7000110.8S85 L87 F175 L178 I368S85-I180 VanDerWaalsContact OG-CA 3.28Å; S85-I180 WeakPolarHBondContact OG-CA 3.38Å; L87-I180 HydrophobicContact CB-CD1 4.25Å; L87-I180 HydrophobicContact CB-CG1 4.21Å; L87-I180 HydrophobicContact CB-CG2 3.78Å; L87-I180 HydrophobicContact CD1-CD1 4.49Å; L87-I180 HydrophobicContact CD2-CD1 3.74Å; L87-I180 HydrophobicContact CG-CD1 4.4Å; F175-I180 HydrophobicContact CD2-CD1 4.31Å; F175-I180 HydrophobicContact CE1-CD1 4.39Å; F175-I180 HydrophobicContact CE2-CD1 3.75Å; F175-I180 HydrophobicContact CZ-CD1 3.79Å; L178-I180 VanDerWaalsContact C-N 3.26Å; L178-I180 HydrophobicContact CB-CD1 3.76Å; L178-I180 HydrophobicContact CB-CG1 3.64Å; L178-I180 HydrophobicContact CD1-CD1 3.81Å; L178-I180 HydrophobicContact CG-CD1 4.44Å; L178-I180 PolarHBondContact O-N 2.66Å; I180-I368 HydrophobicContact CB-CD1 4.06Å; I180-I368 HydrophobicContact CB-CG2 4.41Å; I180-I368 HydrophobicContact CG2-CD1 4.43Å; I180-I368 HydrophobicContact CG2-CG2 3.68Å
181G97.9Very high97.3Very high10 Ų1037.1 Ų37.110%0.10320%0.201CC..EExtended strand (participates in β ladder)trans-108.2-25.9172.800000113.4S85 P369S85-G181 PolarHBondContact O-N 2.82Å; G181-P369 VanDerWaalsContact O-CD 3.27Å; G181-P369 WeakPolarHBondContact O-CD 3.39Å; G181-P369 WeakPolarHBondContact O-CG 3.38Å
182F98.6Very high97.3Very high0 Ų033.6 Ų33.60%019%0.186CC..EExtended strand (participates in β ladder)trans-155.8145.2178.7-178.7-97.9000111.2V86 L87 L184 T326 W334 P369 I371 L409V86-F182 WeakPolarHBondContact CA-O 3.45Å; L87-F182 PolarHBondContact N-O 3.05Å; F182-L184 HydrophobicContact CE1-CD2 3.65Å; F182-L184 HydrophobicContact CE1-CG 3.96Å; F182-L184 HydrophobicContact CZ-CD2 4.03Å; F182-T326 HydrophobicContact CE2-CG2 4.48Å; F182-W334 HydrophobicContact CB-CD2 3.37Å; F182-W334 HydrophobicContact CB-CE3 3.36Å; F182-W334 HydrophobicContact CB-CG 3.91Å; F182-W334 HydrophobicContact CB-CH2 3.96Å; F182-W334 HydrophobicContact CB-CZ2 3.97Å; F182-W334 HydrophobicContact CB-CZ3 3.67Å; F182-W334 HydrophobicContact CD1-CE3 4.09Å; F182-W334 HydrophobicContact CD2-CB 3.45Å; F182-W334 VanDerWaalsContact CD2-CB 3.45Å; F182-W334 HydrophobicContact CD2-CD2 4.01Å; F182-W334 HydrophobicContact CD2-CE3 4.28Å; F182-W334 AromaticContact CD2-CG 3.65Å; F182-W334 HydrophobicContact CD2-CG 3.65Å; F182-W334 HydrophobicContact CE2-CB 3.75Å; F182-W334 HydrophobicContact CE2-CG 4.43Å; F182-W334 HydrophobicContact CG-CB 4.05Å; F182-W334 AromaticContact CG-CD2 3.77Å; F182-W334 HydrophobicContact CG-CD2 3.77Å; F182-W334 AromaticContact CG-CE3 3.67Å; F182-W334 HydrophobicContact CG-CE3 3.67Å; F182-W334 AromaticContact CG-CG 3.94Å; F182-W334 HydrophobicContact CG-CG 3.94Å; F182-W334 HydrophobicContact CG-CZ3 4.34Å; F182-P369 CarbonylContact C-O 3.57Å; F182-P369 WeakPolarHBondContact CA-O 3.48Å; F182-P369 HydrophobicContact CD2-CB 4.05Å; F182-P369 HydrophobicContact CD2-CG 4.02Å; F182-I371 HydrophobicContact CE2-CD1 3.91Å; F182-I371 HydrophobicContact CE2-CG1 3.87Å; F182-I371 HydrophobicContact CZ-CB 4.06Å; F182-I371 HydrophobicContact CZ-CD1 3.73Å; F182-I371 HydrophobicContact CZ-CG1 3.76Å; F182-L409 HydrophobicContact CD1-CD1 4.25Å; F182-L409 HydrophobicContact CD1-CD2 3.9Å; F182-L409 HydrophobicContact CE1-CD1 3.9Å; F182-L409 HydrophobicContact CE1-CD2 3.65Å; F182-L409 HydrophobicContact CE1-CG 4.42Å; F182-L409 HydrophobicContact CZ-CD2 4.33Å
183A98.8Very high97.2Very high0 Ų036.6 Ų36.60%020%0.201CC..EExtended strand (participates in β ladder)trans-125.2142.2177.900000112.6L87 I363 P369 A370 I371L87-A183 HydrophobicContact CB-CB 3.91Å; L87-A183 HydrophobicContact CD2-CB 3.97Å; L87-A183 HydrophobicContact CG-CB 4.22Å; L87-A183 CarbonylContact O-C 3.58Å; L87-A183 VanDerWaalsContact O-CA 3.31Å; L87-A183 WeakPolarHBondContact O-CA 3.3Å; A183-I363 HydrophobicContact CB-CD1 4.03Å; A183-I363 HydrophobicContact CB-CG2 4.08Å; A183-P369 PolarHBondContact N-O 2.99Å; A183-A370 HydrophobicContact CB-CB 3.9Å; A183-A370 CarbonylContact O-C 3.58Å; A183-A370 VanDerWaalsContact O-CA 3.26Å; A183-A370 WeakPolarHBondContact O-CA 3.15Å; A183-I371 PolarHBondContact O-N 2.7Å
184L98.7Very high97.2Very high0 Ų032.8 Ų32.80%018%0.176CC..EExtended strand (participates in β ladder)trans-103.4148.1158.4-67.5-179.5000109.4L87 L88 N89 Y132 F182 F338 I371 Y402 L409L87-L184 PolarHBondContact O-N 2.77Å; L88-L184 HydrophobicContact CD2-CB 4.21Å; L88-L184 HydrophobicContact CD2-CD1 4Å; L88-L184 HydrophobicContact CD2-CG 4.42Å; N89-L184 VanDerWaalsContact CB-O 3.31Å; N89-L184 WeakPolarHBondContact CB-O 3.29Å; N89-L184 PolarHBondContact N-O 3.18Å; Y132-L184 WeakPolarHBondContact OH-CB 3.47Å; F182-L184 HydrophobicContact CE1-CD2 3.65Å; F182-L184 HydrophobicContact CE1-CG 3.96Å; F182-L184 HydrophobicContact CZ-CD2 4.03Å; L184-F338 HydrophobicContact CD2-CD2 4.12Å; L184-F338 HydrophobicContact CD2-CE2 4.01Å; L184-I371 WeakPolarHBondContact CA-O 3.44Å; L184-I371 HydrophobicContact CD2-CB 4.18Å; L184-Y402 HydrophobicContact CD1-CD1 4.41Å; L184-Y402 HydrophobicContact CD1-CE1 4.1Å; L184-L409 HydrophobicContact CD1-CD1 3.67Å; L184-L409 HydrophobicContact CD2-CD1 4.44Å; L184-L409 HydrophobicContact CG-CD1 4.02Å
185D98.3Very high97.2Very high1 Ų131.8 Ų31.81%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-145.5-178.2-179.3-163.517.9000109.6N89 T358 S360 I371 F373N89-D185 HydrophobicContact CB-CB 4.44Å; N89-D185 PolarHBondContact ND2-OD1 3.38Å; D185-T358 PolarHBondContact OD2-OG1 3.3Å; D185-S360 WeakPolarHBondContact CB-OG 3.25Å; D185-S360 WeakPolarHBondContact OD2-CB 3.5Å; D185-S360 PolarHBondContact OD2-N 3.28Å; D185-S360 PolarHBondContact OD2-OG 3.48Å; D185-I371 PolarHBondContact N-O 3.43Å; D185-F373 PolarHBondContact O-N 3.39Å
186E95.5Very high97.1Very high9 Ų932 Ų324%0.04217%0.173CC..  trans-61.3148.917765.4-164.9172.100114.6H91 M125 T358 G372 F373H91-E186 IonicContact CD2-OE1 3.52Å; H91-E186 IonicContact CD2-OE2 2.69Å; H91-E186 PolarHBondContact CD2-OE2 3.38Å; H91-E186 VanDerWaalsContact CD2-OE2 3.25Å; H91-E186 IonicContact NE2-OE1 2.61Å; H91-E186 IonicContact NE2-OE2 3.61Å; H91-E186 PolarHBondContact NE2-OE2 3.3Å; M125-E186 HydrophobicContact CB-CB 4.04Å; M125-E186 VanDerWaalsContact CB-OE2 3.29Å; M125-E186 WeakPolarHBondContact CB-OE2 3.29Å; M125-E186 HydrophobicContact CE-CB 3.58Å; M125-E186 HydrophobicContact CG-CB 4.43Å; M125-E186 WeakPolarHBondContact CG-OE2 3.4Å; M125-E186 HydrophobicContact SD-CB 3.62Å; M125-E186 HydrophobicContact SD-CG 4.14Å; M125-E186 VanDerWaalsContact SD-OE2 3.33Å; E186-T358 HydrophobicContact CG-CG2 3.67Å; E186-G372 CarbonylContact O-C 3.56Å; E186-G372 WeakPolarHBondContact O-CA 3.28Å; E186-F373 PolarHBondContact O-N 3.42Å
187G95.4Very high97.1Very high5 Ų526.3 Ų26.35%0.05215%0.146CC..  trans-125.1-173.8160.100000111.2S374G187-S374 VanDerWaalsContact C-OG 3.31Å; G187-S374 PolarHBondContact N-OG 3.47Å; G187-S374 WeakPolarHBondContact O-CB 3.4Å; G187-S374 PolarHBondContact O-OG 2.89Å
188L94.5Very high97.1Very high25 Ų2519.9 Ų19.913%0.13112%0.119CC..  trans-94157.2175.6-56.3-177.8000112.2F198 F354 P355 L383L188-F198 HydrophobicContact CB-CE2 3.99Å; L188-F198 HydrophobicContact CB-CZ 3.85Å; L188-F198 HydrophobicContact CD1-CE1 4.43Å; L188-F198 HydrophobicContact CD1-CZ 3.86Å; L188-F198 HydrophobicContact CG-CE2 4.03Å; L188-F198 HydrophobicContact CG-CZ 3.73Å; L188-F198 VanDerWaalsContact N-CE2 3.3Å; L188-F354 HydrophobicContact CD1-CE2 4.16Å; L188-F354 HydrophobicContact CD1-CZ 4.33Å; L188-F354 HydrophobicContact CD2-CE2 3.7Å; L188-F354 HydrophobicContact CD2-CZ 3.51Å; L188-F354 HydrophobicContact CG-CD2 4.33Å; L188-F354 HydrophobicContact CG-CE2 3.52Å; L188-F354 HydrophobicContact CG-CZ 3.83Å; L188-P355 HydrophobicContact CD1-CG 4.02Å; L188-L383 HydrophobicContact CD2-CD1 4.06Å; L188-L383 HydrophobicContact CD2-CD2 3.49Å; L188-L383 VanDerWaalsContact CD2-CD2 3.49Å; L188-L383 HydrophobicContact CD2-CG 4.42Å
189A96Very high97Very high2 Ų221.5 Ų21.52%0.01712%0.124CC..  trans-62.9154.7161.600000111.2M376 T379 I381A189-M376 CarbonylContact C-O 3.55Å; A189-M376 WeakPolarHBondContact CA-O 3.21Å; A189-M376 HydrophobicContact CB-CB 4.04Å; A189-M376 HydrophobicContact CB-CE 4.31Å; A189-T379 HydrophobicContact CB-CG2 3.88Å; A189-I381 HydrophobicContact CB-CG1 4.4Å; A189-I381 VanDerWaalsContact O-CG1 3.31Å; A189-I381 WeakPolarHBondContact O-CG1 3.49Å
190N96.4Very high96.8Very high16 Ų1619.1 Ų19.19%0.08611%0.111CC..  trans-121.1122.8172.5-169.9-52.3000108.8G192 A194 T196 E350 M376 N377 R378 T379N190-G192 PolarHBondContact O-N 3.27Å; N190-G192 VanDerWaalsContact OD1-CA 3.31Å; N190-G192 WeakPolarHBondContact OD1-CA 3.33Å; N190-G192 PolarHBondContact OD1-N 2.92Å; N190-A194 VanDerWaalsContact CB-O 3.22Å; N190-A194 WeakPolarHBondContact CB-O 3.46Å; N190-A194 VanDerWaalsContact CG-O 3.31Å; N190-T196 PolarHBondContact ND2-OG1 2.96Å; N190-E350 PolarHBondContact ND2-OE2 3.11Å; N190-M376 PolarHBondContact N-O 2.97Å; N190-N377 CarbonylContact O-C 3.54Å; N190-N377 VanDerWaalsContact O-C 3.29Å; N190-N377 WeakPolarHBondContact O-CA 2.81Å; N190-R378 PolarHBondContact O-N 3.41Å; N190-T379 CarbonylContact C-O 3.56Å; N190-T379 VanDerWaalsContact C-O 3.24Å; N190-T379 PolarHBondContact O-N 3.12Å
191P96.4Very high96.4Very high85 Ų8519.3 Ų19.355%0.55211%0.112SC*.SBendtrans-65.9-21.6177.7-23.634.9000114T379 I381P191-T379 WeakPolarHBondContact CA-O 3.49Å; P191-I381 HydrophobicContact CG-CD1 4.32Å; P191-I381 HydrophobicContact CG-CG1 4.1Å
192G96.7Very high96Very high34 Ų3419.1 Ų19.135%0.35111%0.108SC..SBendtrans-91.3-166.117900000113.8N190 R378N190-G192 PolarHBondContact O-N 3.27Å; N190-G192 VanDerWaalsContact OD1-CA 3.31Å; N190-G192 WeakPolarHBondContact OD1-CA 3.33Å; N190-G192 PolarHBondContact OD1-N 2.92Å; G192-R378 WeakPolarHBondContact O-CA 3.5Å; G192-R378 WeakPolarHBondContact O-CG 3.46Å; G192-R378 PolarHBondContact O-N 2.84Å
193E95.8Very high95.5Very high126 Ų12619.5 Ų19.559%0.58911%0.11SC*.SBendtrans-75.7-27.1-178.9-68.7-111.6166.700113.5N377 R378E193-N377 WeakPolarHBondContact O-CB 3.23Å; E193-N377 PolarHBondContact O-ND2 3.03Å; E193-R378 IonicContact OE1-CZ 3.68Å; E193-R378 IonicContact OE1-NE 2.87Å; E193-R378 PolarHBondContact OE1-NE 2.79Å; E193-R378 IonicContact OE1-NH2 3.89Å; E193-R378 PolarHBondContact OE1-NH2 2.64Å; E193-R378 IonicContact OE2-CZ 2.93Å; E193-R378 IonicContact OE2-NE 3.63Å; E193-R378 IonicContact OE2-NH2 2.67Å; E193-R378 PolarHBondContact OE2-NH2 2.73Å
194A96.9Very high95.1Very high5 Ų519.7 Ų19.74%0.04111%0.111CC..SBendtrans-74164.9-175.500000112.6N190 T348 E350 N377N190-A194 VanDerWaalsContact CB-O 3.22Å; N190-A194 WeakPolarHBondContact CB-O 3.46Å; N190-A194 VanDerWaalsContact CG-O 3.31Å; A194-T348 CarbonylContact C-O 3.52Å; A194-T348 WeakPolarHBondContact CA-O 3.49Å; A194-T348 HydrophobicContact CB-CG2 4.21Å; A194-E350 HydrophobicContact CB-CB 4.38Å; A194-E350 HydrophobicContact CB-CG 3.64Å; A194-E350 WeakPolarHBondContact CB-OE1 3.18Å; A194-N377 WeakPolarHBondContact O-CB 3.37Å
195F97.6Very high94.9Very high11 Ų1119.7 Ų19.75%0.04811%0.111CC..EExtended strand (participates in β ladder)trans-112.9122.5170-63.2-95.3000108.6M347 T348 L349 E350 F373 P375 N377F195-M347 HydrophobicContact CB-CE 4.16Å; F195-M347 HydrophobicContact CD1-CE 3.58Å; F195-M347 HydrophobicContact CD2-CB 3.84Å; F195-M347 HydrophobicContact CD2-CE 3.47Å; F195-M347 VanDerWaalsContact CD2-CE 3.47Å; F195-M347 HydrophobicContact CD2-CG 4.09Å; F195-M347 HydrophobicContact CE1-CE 3.71Å; F195-M347 HydrophobicContact CE2-CB 4.02Å; F195-M347 HydrophobicContact CE2-CE 3.62Å; F195-M347 HydrophobicContact CE2-CG 3.83Å; F195-M347 HydrophobicContact CG-CE 3.45Å; F195-M347 VanDerWaalsContact CG-CE 3.45Å; F195-M347 HydrophobicContact CZ-CE 3.72Å; F195-M347 HydrophobicContact CZ-CG 4.47Å; F195-T348 PolarHBondContact N-O 2.96Å; F195-L349 HydrophobicContact CB-CD2 4.15Å; F195-L349 WeakPolarHBondContact O-CA 3.15Å; F195-E350 PolarHBondContact O-N 3.37Å; F195-F373 HydrophobicContact CB-CE2 3.93Å; F195-F373 HydrophobicContact CB-CZ 4.5Å; F195-P375 HydrophobicContact CD1-CB 4.5Å; F195-P375 HydrophobicContact CE1-CB 4.36Å; F195-N377 HydrophobicContact CD1-CB 3.95Å; F195-N377 HydrophobicContact CD2-CB 4.22Å; F195-N377 HydrophobicContact CE1-CB 3.67Å; F195-N377 HydrophobicContact CE2-CB 3.94Å; F195-N377 HydrophobicContact CG-CB 4.23Å; F195-N377 HydrophobicContact CZ-CB 3.67Å; F195-N377 WeakPolarHBondContact CZ-ND2 3.36Å; F195-N377 WeakPolarHBondContact CZ-OD1 3.48Å
196T96.4Very high94.7Very high7 Ų724.4 Ų24.44%0.04313%0.129CC..EExtended strand (participates in β ladder)trans-79.5137-179.9-45.10000110.5N190 F198 E350 E352N190-T196 PolarHBondContact ND2-OG1 2.96Å; T196-F198 HydrophobicContact CG2-CD1 4.28Å; T196-F198 HydrophobicContact CG2-CD2 4.37Å; T196-F198 HydrophobicContact CG2-CE1 3.59Å; T196-F198 HydrophobicContact CG2-CE2 3.63Å; T196-F198 HydrophobicContact CG2-CZ 3.22Å; T196-E350 CarbonylContact C-O 3.54Å; T196-E350 WeakPolarHBondContact CA-O 3.5Å; T196-E352 HydrophobicContact CG2-CB 3.87Å
197V97.4Very high94.8Very high0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-126.8125-177.3-172.50000108.8W335 F338 L349 E350 K351 E352 I371 F373V197-W335 HydrophobicContact CG1-CH2 4.21Å; V197-W335 HydrophobicContact CG1-CZ3 3.81Å; V197-F338 HydrophobicContact CG1-CE1 3.87Å; V197-F338 HydrophobicContact CG1-CZ 4.2Å; V197-F338 HydrophobicContact CG2-CE1 3.97Å; V197-F338 HydrophobicContact CG2-CZ 4.28Å; V197-L349 HydrophobicContact CG2-CB 4.11Å; V197-L349 HydrophobicContact CG2-CD1 4.28Å; V197-L349 HydrophobicContact CG2-CD2 3.8Å; V197-L349 HydrophobicContact CG2-CG 4.28Å; V197-E350 PolarHBondContact N-O 3.46Å; V197-K351 WeakPolarHBondContact O-CA 3.29Å; V197-E352 PolarHBondContact O-N 2.99Å; V197-I371 HydrophobicContact CG1-CG2 3.29Å; V197-F373 HydrophobicContact CG2-CD2 3.89Å; V197-F373 HydrophobicContact CG2-CE2 4.09Å
198F96.6Very high95Very high4 Ų424.9 Ų24.92%0.01813%0.131CC..EExtended strand (participates in β ladder)trans-110117.5-171.6-58-84.5000111.6L188 T196 E352 F354 I371 G372L188-F198 HydrophobicContact CB-CE2 3.99Å; L188-F198 HydrophobicContact CB-CZ 3.85Å; L188-F198 HydrophobicContact CD1-CE1 4.43Å; L188-F198 HydrophobicContact CD1-CZ 3.86Å; L188-F198 HydrophobicContact CG-CE2 4.03Å; L188-F198 HydrophobicContact CG-CZ 3.73Å; L188-F198 VanDerWaalsContact N-CE2 3.3Å; T196-F198 HydrophobicContact CG2-CD1 4.28Å; T196-F198 HydrophobicContact CG2-CD2 4.37Å; T196-F198 HydrophobicContact CG2-CE1 3.59Å; T196-F198 HydrophobicContact CG2-CE2 3.63Å; T196-F198 HydrophobicContact CG2-CZ 3.22Å; F198-E352 WeakPolarHBondContact CA-O 3.46Å; F198-E352 HydrophobicContact CD1-CB 3.93Å; F198-E352 HydrophobicContact CE1-CB 3.84Å; F198-E352 HydrophobicContact CE1-CG 4.36Å; F198-F354 HydrophobicContact CB-CB 4.12Å; F198-F354 HydrophobicContact CB-CD2 3.92Å; F198-F354 VanDerWaalsContact CD1-CA 3.43Å; F198-F354 HydrophobicContact CD1-CB 3.73Å; F198-F354 AromaticContact CD1-CD2 3.5Å; F198-F354 HydrophobicContact CD1-CD2 3.5Å; F198-F354 HydrophobicContact CD1-CG 4.01Å; F198-F354 AromaticContact CD2-CD2 3.65Å; F198-F354 HydrophobicContact CD2-CD2 3.65Å; F198-F354 HydrophobicContact CD2-CE2 4.11Å; F198-F354 HydrophobicContact CE1-CB 4.39Å; F198-F354 AromaticContact CE1-CD2 3.75Å; F198-F354 HydrophobicContact CE1-CD2 3.75Å; F198-F354 HydrophobicContact CE1-CG 4.35Å; F198-F354 AromaticContact CE2-CD2 3.95Å; F198-F354 HydrophobicContact CE2-CD2 3.95Å; F198-F354 HydrophobicContact CE2-CE2 4.14Å; F198-F354 HydrophobicContact CG-CB 4.11Å; F198-F354 AromaticContact CG-CD2 3.41Å; F198-F354 HydrophobicContact CG-CD2 3.41Å; F198-F354 VanDerWaalsContact CG-CD2 3.41Å; F198-F354 HydrophobicContact CG-CE2 4.31Å; F198-F354 HydrophobicContact CG-CG 4.22Å; F198-F354 AromaticContact CZ-CD2 3.96Å; F198-F354 HydrophobicContact CZ-CD2 3.96Å; F198-F354 HydrophobicContact CZ-CE2 4.29Å; F198-I371 WeakPolarHBondContact O-CA 3.37Å; F198-G372 PolarHBondContact N-O 2.87Å; F198-G372 PolarHBondContact O-N 2.74Å
199Y96.2Very high95.2Very high50 Ų5023.7 Ų23.720%0.19613%0.125CC..EExtended strand (participates in β ladder)trans-109.7-1.4-174.169.3-81.6000113.2V325 T326 T328 K351 E352 I353Y199-V325 HydrophobicContact CD2-CB 4.03Å; Y199-V325 HydrophobicContact CE2-CB 4.35Å; Y199-V325 CarbonylContact O-C 3.51Å; Y199-V325 WeakPolarHBondContact O-CA 3.43Å; Y199-T326 WeakPolarHBondContact CD2-O 3.38Å; Y199-T326 PolarHBondContact O-N 3.19Å; Y199-T328 VanDerWaalsContact CB-CG2 3.45Å; Y199-T328 HydrophobicContact CD1-CG2 4.09Å; Y199-T328 HydrophobicContact CD2-CG2 4.15Å; Y199-T328 HydrophobicContact CG-CG2 3.64Å; Y199-K351 HydrophobicContact CD1-CB 4.35Å; Y199-K351 HydrophobicContact CE1-CB 4.29Å; Y199-E352 WeakPolarHBondContact CD1-O 3.49Å; Y199-E352 PolarHBondContact N-O 3.28Å; Y199-I353 HydrophobicContact CD1-CD1 4.44Å; Y199-I353 HydrophobicContact CD2-CD1 4.21Å; Y199-I353 HydrophobicContact CE1-CD1 3.92Å; Y199-I353 HydrophobicContact CE1-CG1 4.41Å; Y199-I353 HydrophobicContact CE2-CD1 3.67Å; Y199-I353 VanDerWaalsContact CZ-CD1 3.49Å
200G94.1Very high95.3Very high0 Ų027.2 Ų27.20%014%0.138CC..EExtended strand (participates in β ladder)trans-163.2165.4177.300000109.5I353 F354G200-I353 CarbonylContact O-C 3.53Å; G200-I353 WeakPolarHBondContact O-CA 3.48Å; G200-F354 WeakPolarHBondContact O-CB 3.31Å; G200-F354 PolarHBondContact O-N 3.28Å
201E89.7Confident95.4Very high16 Ų1626.4 Ų26.48%0.07513%0.134CC..EExtended strand (participates in β ladder)trans-120.2162.1168.4-52.191.517800111.1P290 F354 T358 S360 R361 R364E201-P290 WeakPolarHBondContact O-CD 3.39Å; E201-F354 HydrophobicContact CB-CB 4.26Å; E201-F354 HydrophobicContact CG-CB 3.83Å; E201-T358 PolarHBondContact OE1-OG1 3.17Å; E201-S360 VanDerWaalsContact OE1-CB 3.26Å; E201-S360 WeakPolarHBondContact OE1-CB 3.36Å; E201-R361 PolarHBondContact OE1-N 2.91Å; E201-R361 WeakPolarHBondContact OE2-CA 3.1Å; E201-R361 WeakPolarHBondContact OE2-CB 3.35Å; E201-R364 IonicContact OE1-CZ 3.22Å; E201-R364 IonicContact OE1-NH2 2.74Å; E201-R364 PolarHBondContact OE1-NH2 2.84Å; E201-R364 IonicContact OE2-CZ 3.91Å; E201-R364 IonicContact OE2-NE 3.68Å; E201-R364 IonicContact OE2-NH2 2.75Å; E201-R364 PolarHBondContact OE2-NH2 3.25Å
202R89.6Confident95.5Very high6 Ų624 Ų242%0.02312%0.118CC..PPolyproline II helixtrans-72.9148.1164.6-64.1-153.2-176.312387.8111.2P204 L256 G257 V259 R287 I288 I353 F354R202-P204 VanDerWaalsContact O-CD 3.28Å; R202-P204 WeakPolarHBondContact O-CD 3.44Å; R202-L256 PolarHBondContact NE-O 3.21Å; R202-L256 PolarHBondContact NH1-O 3.37Å; R202-L256 PolarHBondContact NH2-O 3.46Å; R202-G257 PolarHBondContact NE-O 3.17Å; R202-G257 VanDerWaalsContact NH2-CA 3.28Å; R202-G257 VanDerWaalsContact NH2-N 3.14Å; R202-V259 VanDerWaalsContact CZ-O 3.29Å; R202-V259 PolarHBondContact NE-O 3.22Å; R202-V259 PolarHBondContact NH1-O 3.18Å; R202-R287 HydrophobicContact CB-CB 4.15Å; R202-R287 WeakPolarHBondContact CD-O 3.46Å; R202-I288 CarbonylContact C-O 3.31Å; R202-I288 VanDerWaalsContact CA-O 3.27Å; R202-I288 WeakPolarHBondContact CA-O 3.28Å; R202-I353 HydrophobicContact CG-CG2 3.88Å; R202-F354 PolarHBondContact N-O 3.44Å
203N89.4Confident95.5Very high8 Ų823 Ų234%0.04311%0.108CC..EExtended strand (participates in β ladder)trans-84.4116.1173.4-74.6-81.7000110I288 L294 H320 N322N203-I288 HydrophobicContact CB-CB 4.38Å; N203-I288 PolarHBondContact N-O 3.06Å; N203-I288 PolarHBondContact O-N 2.95Å; N203-L294 HydrophobicContact CB-CD1 4.43Å; N203-H320 HydrophobicContact CB-CB 4.36Å; N203-H320 WeakPolarHBondContact OD1-CB 3.38Å; N203-H320 PolarHBondContact OD1-O 3.32Å; N203-N322 PolarHBondContact ND2-O 3.26Å; N203-N322 PolarHBondContact OD1-O 2.81Å
204P89.3Confident95.6Very high3 Ų319 Ų192%0.0199%0.094CC..EExtended strand (participates in β ladder)trans-79.7120.3173.129.7-31.5000110.8R202 L286 Q318R202-P204 VanDerWaalsContact O-CD 3.28Å; R202-P204 WeakPolarHBondContact O-CD 3.44Å; P204-L286 WeakPolarHBondContact CA-O 3.26Å; P204-Q318 VanDerWaalsContact CG-NE2 3.26Å
205W93.9Very high95.6Very high0 Ų022.6 Ų22.60%012%0.117CC..EExtended strand (participates in β ladder)trans-115.9114.5170.2-7519000108.9L286 I288 L294 F297 E298 I301 F316 Q318 K319 H320 M321W205-L286 HydrophobicContact CB-CB 4.18Å; W205-L286 PolarHBondContact N-O 2.94Å; W205-L286 WeakPolarHBondContact O-CD1 3.46Å; W205-L286 PolarHBondContact O-N 2.99Å; W205-I288 HydrophobicContact CB-CD1 4.12Å; W205-I288 HydrophobicContact CD2-CD1 3.39Å; W205-I288 HydrophobicContact CE3-CD1 3.65Å; W205-I288 HydrophobicContact CG-CD1 3.61Å; W205-I288 HydrophobicContact CH2-CD1 4.48Å; W205-I288 HydrophobicContact CZ2-CD1 4.27Å; W205-I288 HydrophobicContact CZ3-CD1 4.2Å; W205-L294 HydrophobicContact CH2-CB 4.26Å; W205-L294 WeakPolarHBondContact CH2-O 3.22Å; W205-L294 HydrophobicContact CZ2-CB 3.91Å; W205-L294 HydrophobicContact CZ2-CD1 4.43Å; W205-L294 HydrophobicContact CZ2-CD2 3.99Å; W205-L294 HydrophobicContact CZ2-CG 4.32Å; W205-F297 HydrophobicContact CE3-CD1 4.35Å; W205-F297 HydrophobicContact CZ3-CD1 4Å; W205-E298 HydrophobicContact CH2-CB 3.78Å; W205-E298 HydrophobicContact CZ3-CB 3.88Å; W205-I301 HydrophobicContact CE3-CD1 4.13Å; W205-I301 HydrophobicContact CZ3-CD1 4.07Å; W205-F316 HydrophobicContact CB-CD1 4.3Å; W205-F316 HydrophobicContact CB-CE1 4.07Å; W205-F316 AromaticContact CD2-CE1 3.89Å; W205-F316 HydrophobicContact CD2-CE1 3.89Å; W205-F316 HydrophobicContact CD2-CZ 4.25Å; W205-F316 AromaticContact CE3-CE1 3.53Å; W205-F316 HydrophobicContact CE3-CE1 3.53Å; W205-F316 AromaticContact CE3-CZ 3.65Å; W205-F316 HydrophobicContact CE3-CZ 3.65Å; W205-F316 HydrophobicContact CG-CE1 4.15Å; W205-F316 HydrophobicContact CZ3-CE1 4.29Å; W205-F316 AromaticContact CZ3-CZ 3.94Å; W205-F316 HydrophobicContact CZ3-CZ 3.94Å; W205-Q318 WeakPolarHBondContact CA-O 3.35Å; W205-K319 HydrophobicContact CD2-CG 4.12Å; W205-K319 HydrophobicContact CG-CG 4.22Å; W205-K319 HydrophobicContact CZ2-CG 4.26Å; W205-H320 PolarHBondContact NE1-O 2.98Å; W205-M321 HydrophobicContact CH2-SD 4.28Å; W205-M321 HydrophobicContact CZ2-CE 4.38Å; W205-M321 HydrophobicContact CZ2-SD 3.44Å; W205-M321 WeakPolarHBondContact CZ2-SD 3.42Å
206W95.1Very high95.5Very high101 Ų10123.3 Ų23.338%0.38313%0.127SC..EExtended strand (participates in β ladder)trans-104.5110.8173.6-60.2-18.3000108.2F284 D285 F316 A317 Q318W206-F284 WeakPolarHBondContact CA-O 3.37Å; W206-D285 PolarHBondContact NE1-OD2 3.49Å; W206-D285 VanDerWaalsContact NE1-OD2 3.08Å; W206-F316 CarbonylContact O-C 3.49Å; W206-F316 VanDerWaalsContact O-CA 3.29Å; W206-F316 WeakPolarHBondContact O-CA 3.3Å; W206-A317 HydrophobicContact CB-CB 4.22Å; W206-A317 PolarHBondContact O-N 2.94Å; W206-Q318 HydrophobicContact CB-CB 4.22Å; W206-Q318 HydrophobicContact CD2-CB 3.92Å; W206-Q318 HydrophobicContact CE3-CB 3.67Å; W206-Q318 HydrophobicContact CG-CB 4.18Å; W206-Q318 HydrophobicContact CZ3-CB 4.33Å; W206-Q318 PolarHBondContact N-O 2.81Å
207I97.6Very high95.5Very high1 Ų127.4 Ų27.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-116139.4-172.6-171.2174.3000110V209 F237 S283 F284 L286 I301 Y314 E315 F316I207-V209 HydrophobicContact CD1-CG2 4.28Å; I207-V209 HydrophobicContact CG1-CG2 4.33Å; I207-F237 HydrophobicContact CD1-CZ 4.26Å; I207-F237 HydrophobicContact CG2-CE1 4.15Å; I207-F237 HydrophobicContact CG2-CZ 4.44Å; I207-S283 CarbonylContact O-C 3.55Å; I207-S283 WeakPolarHBondContact O-CA 3.36Å; I207-S283 WeakPolarHBondContact O-CB 3.47Å; I207-F284 HydrophobicContact CG2-CB 3.82Å; I207-F284 HydrophobicContact CG2-CD2 4.16Å; I207-F284 HydrophobicContact CG2-CG 4.49Å; I207-F284 PolarHBondContact N-O 3.23Å; I207-F284 PolarHBondContact O-N 2.98Å; I207-L286 HydrophobicContact CB-CD1 4.44Å; I207-L286 HydrophobicContact CG2-CD1 3.43Å; I207-L286 VanDerWaalsContact CG2-CD1 3.43Å; I207-I301 HydrophobicContact CD1-CG2 3.58Å; I207-Y314 HydrophobicContact CD1-CD2 3.63Å; I207-Y314 HydrophobicContact CD1-CE2 4.45Å; I207-Y314 HydrophobicContact CD1-CG 3.87Å; I207-Y314 HydrophobicContact CG1-CD2 4.12Å; I207-Y314 HydrophobicContact CG1-CG 4.41Å; I207-E315 WeakPolarHBondContact CA-O 3.23Å; I207-F316 HydrophobicContact CB-CD1 3.97Å; I207-F316 HydrophobicContact CB-CE1 3.96Å; I207-F316 HydrophobicContact CD1-CE1 3.99Å; I207-F316 HydrophobicContact CD1-CZ 4.22Å; I207-F316 HydrophobicContact CG1-CD1 4.27Å; I207-F316 HydrophobicContact CG1-CE1 4.12Å
208T98.4Very high95.2Very high22 Ų2229.8 Ų29.814%0.13517%0.17CC..EExtended strand (participates in β ladder)trans-116.3124.5165.3-61.90000108.3D281 V282 S283 Y314 E315T208-D281 HydrophobicContact CG2-CB 4.2Å; T208-V282 CarbonylContact C-O 3.48Å; T208-V282 WeakPolarHBondContact CA-O 3.34Å; T208-S283 PolarHBondContact OG1-OG 3.44Å; T208-Y314 CarbonylContact O-C 3.59Å; T208-Y314 VanDerWaalsContact O-CA 3.23Å; T208-Y314 WeakPolarHBondContact O-CA 3.28Å; T208-E315 PolarHBondContact N-O 3.48Å; T208-E315 PolarHBondContact O-N 3.28Å
209V98.7Very high95.1Very high0 Ų034 Ų340%020%0.2CC..EExtended strand (participates in β ladder)trans-101.8123.4175-172.80000108.3I207 V233 F237 D281 V282 V312 T313I207-V209 HydrophobicContact CD1-CG2 4.28Å; I207-V209 HydrophobicContact CG1-CG2 4.33Å; V209-V233 HydrophobicContact CB-CG1 4.03Å; V209-V233 HydrophobicContact CG1-CG1 3.92Å; V209-V233 HydrophobicContact CG1-CG2 3.98Å; V209-V233 HydrophobicContact CG2-CG1 4.02Å; V209-F237 HydrophobicContact CG2-CE2 4.35Å; V209-F237 HydrophobicContact CG2-CZ 4.37Å; V209-D281 WeakPolarHBondContact O-CA 3.21Å; V209-V282 HydrophobicContact CB-CG1 4.12Å; V209-V282 PolarHBondContact N-O 3.16Å; V209-V282 PolarHBondContact O-N 3.23Å; V209-V312 HydrophobicContact CG1-CG1 3.55Å; V209-T313 CarbonylContact C-O 3.43Å; V209-T313 WeakPolarHBondContact CA-O 3.39Å; V209-T313 WeakPolarHBondContact CG1-O 3.38Å
210R98.6Very high95Very high76 Ų7640.4 Ų40.429%0.28722%0.224SC..EExtended strand (participates in β ladder)trans-97.4127.8177-59.3-168.9172.696.93109.9P212 D281 V312 T313 E315R210-P212 WeakPolarHBondContact O-CD 3.4Å; R210-D281 WeakPolarHBondContact CA-OD1 3.44Å; R210-D281 WeakPolarHBondContact CG-OD1 3.4Å; R210-V312 WeakPolarHBondContact O-CA 2.93Å; R210-T313 PolarHBondContact N-O 3.49Å; R210-T313 PolarHBondContact O-N 3.17Å; R210-T313 VanDerWaalsContact O-N 3.13Å; R210-E315 VanDerWaalsContact CZ-CD 3.48Å; R210-E315 IonicContact CZ-OE1 3.99Å; R210-E315 IonicContact CZ-OE2 3.77Å; R210-E315 VanDerWaalsContact CZ-OE2 3.28Å; R210-E315 IonicContact NH1-OE1 3.79Å; R210-E315 IonicContact NH1-OE2 3.86Å; R210-E315 PolarHBondContact NH1-OE2 2.96Å; R210-E315 IonicContact NH2-OE1 2.86Å; R210-E315 PolarHBondContact NH2-OE1 3.13Å; R210-E315 IonicContact NH2-OE2 3.87Å; R210-E315 PolarHBondContact NH2-OE2 2.91Å
211C98.7Very high95Very high0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-119.288.1-177.9-58.90000110.3A226 K229 L230 E279 M280C211-A226 WeakPolarHBondContact O-CB 3.49Å; C211-K229 HydrophobicContact CB-CB 4.09Å; C211-L230 HydrophobicContact CB-CB 4.42Å; C211-L230 HydrophobicContact CB-CD1 4.42Å; C211-E279 WeakPolarHBondContact O-CA 3.43Å; C211-M280 WeakPolarHBondContact CA-O 3.43Å; C211-M280 VanDerWaalsContact CB-O 3.27Å; C211-M280 WeakPolarHBondContact CB-O 3.37Å; C211-M280 PolarHBondContact N-O 3.5Å; C211-M280 PolarHBondContact O-N 3.35Å
212P98.4Very high95.3Very high33 Ų3351.5 Ų51.521%0.21428%0.275CS..EExtended strand (participates in β ladder)trans-67.2154.1170.9-18.232.5000111.3R210 K229 A278 D311R210-P212 WeakPolarHBondContact O-CD 3.4Å; P212-K229 WeakPolarHBondContact O-CD 3.45Å; P212-K229 WeakPolarHBondContact O-CE 3.08Å; P212-K229 PolarHBondContact O-NZ 3.45Å; P212-A278 CarbonylContact C-O 3.36Å; P212-A278 WeakPolarHBondContact CA-O 3.21Å; P212-D311 WeakPolarHBondContact CD-O 3.19Å
213G97.6Very high95.6Very high15 Ų1559 Ų5916%0.15531%0.31CS..  trans-168.7175.5173.700000114.1P215 N224 A278G213-P215 WeakPolarHBondContact O-CD 3.32Å; G213-N224 CarbonylContact C-O 3.57Å; G213-N224 WeakPolarHBondContact CA-O 3.49Å; G213-A278 PolarHBondContact N-O 3.5Å; G213-A278 CarbonylContact O-C 3.49Å; G213-A278 WeakPolarHBondContact O-CA 3.49Å; G213-A278 VanDerWaalsContact O-O 3.08Å
214S97.6Very high95.9Very high41 Ų4162.6 Ų62.629%0.28733%0.33SS..  trans-70.1118.9-176.9-56.20000111.3V222 E223 N224S214-V222 VanDerWaalsContact CB-CG1 3.44Å; S214-E223 WeakPolarHBondContact CB-O 3.27Å; S214-E223 PolarHBondContact OG-O 3.17Å; S214-N224 PolarHBondContact N-O 2.75Å
215P96.9Very high96.3Very high81 Ų8163.1 Ų63.153%0.52633%0.333SS..  trans-78.1165.417333.1-34.8000111.5G213 I276 A278G213-P215 WeakPolarHBondContact O-CD 3.32Å; P215-I276 WeakPolarHBondContact CA-O 3.5Å; P215-I276 WeakPolarHBondContact CB-O 3.5Å; P215-A278 HydrophobicContact CB-CB 4.07Å; P215-A278 HydrophobicContact CG-CB 4.21Å
216G95Very high96.5Very high26 Ų2663.1 Ų63.127%0.26833%0.333SS..EExtended strand (participates in β ladder)trans174.2178.6177.700000113.9I276G216-I276 WeakPolarHBondContact O-CB 3.32Å; G216-I276 PolarHBondContact O-N 2.76Å
217H95.9Very high96.7Very high93 Ų9360.6 Ų60.643%0.43133%0.334SS..EExtended strand (participates in β ladder)trans-74.5133.5174.2-167.2-82.8000109.9S219 R220H217-S219 WeakPolarHBondContact ND1-CB 3.18Å; H217-S219 PolarHBondContact ND1-N 2.77Å; H217-S219 PolarHBondContact ND1-OG 3.12Å; H217-S219 PolarHBondContact O-N 3.4Å; H217-R220 PolarHBondContact O-N 2.85Å
218G92.6Very high96.7Very high49 Ų4965.4 Ų65.451%0.50536%0.356SS..THydrogen-bonded Turntrans-63.2-2.1-176.200000116.1N274G218-N274 PolarHBondContact N-O 2.76Å
219S93.9Very high96.7Very high93 Ų9364.6 Ų64.665%0.6535%0.351SS*.THydrogen-bonded Turntrans-910.4172.866.60000113.8H217H217-S219 WeakPolarHBondContact ND1-CB 3.18Å; H217-S219 PolarHBondContact ND1-N 2.77Å; H217-S219 PolarHBondContact ND1-OG 3.12Å; H217-S219 PolarHBondContact O-N 3.4Å
220R93.5Very high96.7Very high184 Ų18465.1 Ų65.169%0.69435%0.353SS*.SBendtrans-110.8147.2-179.2-62.1-173.3178.8-174.2-0.2110.6H217 V222H217-R220 PolarHBondContact O-N 2.85Å; R220-V222 VanDerWaalsContact C-N 3.28Å; R220-V222 HydrophobicContact CB-CG2 4.05Å; R220-V222 PolarHBondContact O-N 2.95Å; R220-V222 VanDerWaalsContact O-N 3.12Å
221F94.3Very high96.7Very high215 Ų21569.9 Ų69.994%0.94337%0.371SS*.  trans-82.975.9167-64.2-72.6000109.3
222V96Very high96.7Very high35 Ų3573.7 Ų73.721%0.21239%0.389CS..  trans-73.1134.9172.9179.60000108.1S214 R220 T225 I276S214-V222 VanDerWaalsContact CB-CG1 3.44Å; R220-V222 VanDerWaalsContact C-N 3.28Å; R220-V222 HydrophobicContact CB-CG2 4.05Å; R220-V222 PolarHBondContact O-N 2.95Å; R220-V222 VanDerWaalsContact O-N 3.12Å; V222-T225 HydrophobicContact CB-CG2 4.14Å; V222-T225 HydrophobicContact CG1-CG2 4.17Å; V222-T225 WeakPolarHBondContact O-CG2 3.31Å; V222-I276 HydrophobicContact CB-CD1 3.79Å; V222-I276 HydrophobicContact CG2-CD1 3.6Å
223E95.9Very high96.7Very high162 Ų16272.1 Ų72.176%0.75738%0.379SS*.SBendtrans-91.2161.7175.3-62.8-179.7170.200111S214 T225S214-E223 WeakPolarHBondContact CB-O 3.27Å; S214-E223 PolarHBondContact OG-O 3.17Å; E223-T225 VanDerWaalsContact C-N 3.33Å; E223-T225 PolarHBondContact O-N 3Å
224N96.3Very high96.7Very high84 Ų8473 Ų7345%0.44938%0.38SS..SBendtrans60.742.5177.5-172.248.8000111.8G213 S214 E228 K229G213-N224 CarbonylContact C-O 3.57Å; G213-N224 WeakPolarHBondContact CA-O 3.49Å; S214-N224 PolarHBondContact N-O 2.75Å; N224-E228 PolarHBondContact N-OE2 3.07Å; N224-K229 WeakPolarHBondContact OD1-CE 3.41Å; N224-K229 PolarHBondContact OD1-NZ 3.33Å
225T98.1Very high96.8Very high15 Ų1574.4 Ų74.49%0.09238%0.384CS..  trans-80.4151.8-177.464.70000111.5V222 E223 A227 E228 K229 I276V222-T225 HydrophobicContact CB-CG2 4.14Å; V222-T225 HydrophobicContact CG1-CG2 4.17Å; V222-T225 WeakPolarHBondContact O-CG2 3.31Å; E223-T225 VanDerWaalsContact C-N 3.33Å; E223-T225 PolarHBondContact O-N 3Å; T225-A227 PolarHBondContact O-N 2.93Å; T225-E228 PolarHBondContact N-OE2 3.12Å; T225-E228 PolarHBondContact O-N 2.76Å; T225-E228 VanDerWaalsContact OG1-CD 3.27Å; T225-E228 WeakPolarHBondContact OG1-CG 3.31Å; T225-E228 PolarHBondContact OG1-N 3.34Å; T225-E228 PolarHBondContact OG1-OE2 3.24Å; T225-K229 PolarHBondContact O-N 3.18Å; T225-I276 HydrophobicContact CG2-CG2 3.95Å
226A98.3Very high96.8Very high0 Ų071.6 Ų71.60%037%0.366CS..Hα-helixtrans-56.8-37.2176.400000111.9C211 K229 L230 M280C211-A226 WeakPolarHBondContact O-CB 3.49Å; A226-K229 PolarHBondContact O-N 2.77Å; A226-L230 VanDerWaalsContact O-CB 3.27Å; A226-L230 WeakPolarHBondContact O-CB 3.42Å; A226-L230 PolarHBondContact O-N 2.93Å; A226-M280 HydrophobicContact CB-CB 4.22Å; A226-M280 HydrophobicContact CB-CG 3.8Å
227A97.6Very high97Very high48 Ų4870.4 Ų70.440%0.39735%0.354SS..Hα-helixtrans-67.5-36.5-179.900000113.7T225 R231 M280T225-A227 PolarHBondContact O-N 2.93Å; A227-R231 WeakPolarHBondContact O-CB 3.34Å; A227-R231 PolarHBondContact O-N 2.75Å; A227-M280 HydrophobicContact CB-SD 3.9Å
228E97.8Very high97.1Very high101 Ų10168.7 Ų68.747%0.47235%0.348SS..Hα-helixtrans-63.4-45.8176.1-75.6164.9142.300111.2N224 T225 R231 Q232N224-E228 PolarHBondContact N-OE2 3.07Å; T225-E228 PolarHBondContact N-OE2 3.12Å; T225-E228 PolarHBondContact O-N 2.76Å; T225-E228 VanDerWaalsContact OG1-CD 3.27Å; T225-E228 WeakPolarHBondContact OG1-CG 3.31Å; T225-E228 PolarHBondContact OG1-N 3.34Å; T225-E228 PolarHBondContact OG1-OE2 3.24Å; E228-R231 PolarHBondContact O-N 3.29Å; E228-Q232 PolarHBondContact O-N 3.44Å
229K98.6Very high97.4Very high6 Ų671 Ų713%0.02635%0.349CS..Hα-helixtrans-65.8-46.3177.4-53.9-171.7-174.3163.20111.4C211 P212 N224 T225 A226 R231 Q232 V233 A308 D311 V312C211-K229 HydrophobicContact CB-CB 4.09Å; P212-K229 WeakPolarHBondContact O-CD 3.45Å; P212-K229 WeakPolarHBondContact O-CE 3.08Å; P212-K229 PolarHBondContact O-NZ 3.45Å; N224-K229 WeakPolarHBondContact OD1-CE 3.41Å; N224-K229 PolarHBondContact OD1-NZ 3.33Å; T225-K229 PolarHBondContact O-N 3.18Å; A226-K229 PolarHBondContact O-N 2.77Å; K229-R231 VanDerWaalsContact C-N 3.29Å; K229-R231 PolarHBondContact O-N 3.23Å; K229-Q232 WeakPolarHBondContact O-CB 3.46Å; K229-Q232 PolarHBondContact O-N 2.99Å; K229-V233 WeakPolarHBondContact O-CG2 3.35Å; K229-V233 PolarHBondContact O-N 3.47Å; K229-A308 HydrophobicContact CB-CB 4.37Å; K229-A308 VanDerWaalsContact CG-O 3.23Å; K229-A308 WeakPolarHBondContact CG-O 3.45Å; K229-D311 IonicContact NZ-OD1 2.68Å; K229-D311 PolarHBondContact NZ-OD1 2.71Å; K229-D311 IonicContact NZ-OD2 2.84Å; K229-D311 PolarHBondContact NZ-OD2 2.99Å; K229-V312 HydrophobicContact CB-CG2 4.06Å; K229-V312 HydrophobicContact CD-CG2 3.68Å; K229-V312 HydrophobicContact CG-CG2 4.4Å
230L98.5Very high97.6Very high11 Ų1167.7 Ų67.76%0.05832%0.322CS..Hα-helixtrans-56-44.9176.8-168.578.5000111.4C211 A226 Q232 V233 I234 V267 M280 V282C211-L230 HydrophobicContact CB-CB 4.42Å; C211-L230 HydrophobicContact CB-CD1 4.42Å; A226-L230 VanDerWaalsContact O-CB 3.27Å; A226-L230 WeakPolarHBondContact O-CB 3.42Å; A226-L230 PolarHBondContact O-N 2.93Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 2.84Å; L230-V233 PolarHBondContact O-N 2.88Å; L230-I234 HydrophobicContact CD2-CD1 4.17Å; L230-I234 HydrophobicContact CG-CD1 3.9Å; L230-I234 WeakPolarHBondContact O-CB 3.38Å; L230-I234 VanDerWaalsContact O-CG1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.14Å; L230-I234 PolarHBondContact O-N 2.87Å; L230-V267 HydrophobicContact CD2-CG1 4.17Å; L230-M280 HydrophobicContact CD1-CB 4.14Å; L230-M280 HydrophobicContact CD2-CB 3.94Å; L230-M280 HydrophobicContact CD2-CE 3.65Å; L230-M280 HydrophobicContact CD2-SD 3.92Å; L230-M280 HydrophobicContact CG-CB 4.44Å; L230-V282 HydrophobicContact CD1-CB 3.69Å; L230-V282 HydrophobicContact CD1-CG1 3.52Å
231R98.4Very high97.8Very high175 Ų17562.9 Ų62.966%0.6630%0.304SS*.Hα-helixtrans-58.3-43.4176.2176.2-176.1171-143.6-3.9111.5A227 E228 K229 I234 N235A227-R231 WeakPolarHBondContact O-CB 3.34Å; A227-R231 PolarHBondContact O-N 2.75Å; E228-R231 PolarHBondContact O-N 3.29Å; K229-R231 VanDerWaalsContact C-N 3.29Å; K229-R231 PolarHBondContact O-N 3.23Å; R231-I234 PolarHBondContact O-N 2.94Å; R231-N235 WeakPolarHBondContact O-CB 3.49Å; R231-N235 PolarHBondContact O-N 2.83Å; R231-N235 PolarHBondContact O-OD1 3.47Å
232Q98.4Very high97.9Very high80 Ų8056.9 Ų56.937%0.37428%0.279SS..Hα-helixtrans-67.2-40.2179.3-173.8169.3-10.600112.5E228 K229 L230 S236 D307 A308E228-Q232 PolarHBondContact O-N 3.44Å; K229-Q232 WeakPolarHBondContact O-CB 3.46Å; K229-Q232 PolarHBondContact O-N 2.99Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 2.84Å; Q232-S236 PolarHBondContact O-N 2.85Å; Q232-S236 PolarHBondContact O-OG 2.58Å; Q232-D307 PolarHBondContact NE2-O 3.23Å; Q232-D307 PolarHBondContact OE1-O 2.74Å; Q232-A308 HydrophobicContact CB-CB 4.01Å; Q232-A308 HydrophobicContact CG-CB 4.1Å
233V98.7Very high97.9Very high0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-60-52.7172.4171.70000110.2V209 K229 L230 N235 S236 F237 V282 F284 A308 V312V209-V233 HydrophobicContact CB-CG1 4.03Å; V209-V233 HydrophobicContact CG1-CG1 3.92Å; V209-V233 HydrophobicContact CG1-CG2 3.98Å; V209-V233 HydrophobicContact CG2-CG1 4.02Å; K229-V233 WeakPolarHBondContact O-CG2 3.35Å; K229-V233 PolarHBondContact O-N 3.47Å; L230-V233 PolarHBondContact O-N 2.88Å; V233-N235 VanDerWaalsContact C-N 3.32Å; V233-N235 PolarHBondContact O-N 2.91Å; V233-S236 PolarHBondContact O-N 2.75Å; V233-S236 VanDerWaalsContact O-N 3.13Å; V233-F237 HydrophobicContact CG1-CD2 3.96Å; V233-F237 HydrophobicContact CG1-CE2 3.99Å; V233-F237 WeakPolarHBondContact O-CD2 3.32Å; V233-F237 PolarHBondContact O-N 3.42Å; V233-F237 VanDerWaalsContact O-N 3.09Å; V233-V282 HydrophobicContact CG1-CG1 3.91Å; V233-F284 HydrophobicContact CG1-CE2 4.1Å; V233-F284 HydrophobicContact CG1-CZ 4.46Å; V233-A308 HydrophobicContact CG2-CB 3.68Å; V233-V312 HydrophobicContact CG2-CG1 4.18Å
234I98.6Very high97.8Very high33 Ų3354.6 Ų54.617%0.16926%0.264CS..Hα-helixtrans-56.3-47.4180-71.7169.6000110.9L230 R231 S236 F237 L238 M264 V282 F284L230-I234 HydrophobicContact CD2-CD1 4.17Å; L230-I234 HydrophobicContact CG-CD1 3.9Å; L230-I234 WeakPolarHBondContact O-CB 3.38Å; L230-I234 VanDerWaalsContact O-CG1 3.3Å; L230-I234 WeakPolarHBondContact O-CG1 3.14Å; L230-I234 PolarHBondContact O-N 2.87Å; R231-I234 PolarHBondContact O-N 2.94Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 3.44Å; I234-F237 PolarHBondContact O-N 3.18Å; I234-L238 HydrophobicContact CG2-CD1 3.62Å; I234-L238 HydrophobicContact CG2-CG 4.17Å; I234-L238 WeakPolarHBondContact O-CB 3.43Å; I234-L238 VanDerWaalsContact O-CG 3.3Å; I234-L238 WeakPolarHBondContact O-CG 3.24Å; I234-L238 PolarHBondContact O-N 2.74Å; I234-M264 HydrophobicContact CD1-SD 3.98Å; I234-M264 HydrophobicContact CG1-SD 4.05Å; I234-M264 HydrophobicContact CG2-SD 4.46Å; I234-V282 HydrophobicContact CG1-CG2 4.15Å; I234-F284 HydrophobicContact CG1-CZ 4.37Å
235N98.6Very high97.7Very high72 Ų7255.7 Ų55.739%0.38527%0.265SS..Hα-helixtrans-59.4-45.6178.2-71.8-7.4000111.5R231 V233 F237 L238 D239R231-N235 WeakPolarHBondContact O-CB 3.49Å; R231-N235 PolarHBondContact O-N 2.83Å; R231-N235 PolarHBondContact O-OD1 3.47Å; V233-N235 VanDerWaalsContact C-N 3.32Å; V233-N235 PolarHBondContact O-N 2.91Å; N235-F237 PolarHBondContact O-N 3.27Å; N235-L238 PolarHBondContact O-N 3.48Å; N235-D239 WeakPolarHBondContact O-CB 3.23Å; N235-D239 PolarHBondContact O-N 3.26Å
236S98.6Very high97.5Very high22 Ų2261.2 Ų61.215%0.15429%0.289CS..Hα-helixtrans-61-45.6-178.6-56.40000112.4Q232 V233 I234 F240Q232-S236 PolarHBondContact O-N 2.85Å; Q232-S236 PolarHBondContact O-OG 2.58Å; V233-S236 PolarHBondContact O-N 2.75Å; V233-S236 VanDerWaalsContact O-N 3.13Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 3.44Å; S236-F240 PolarHBondContact O-N 3.18Å
237F98.5Very high97.1Very high0 Ų064.8 Ų64.80%030%0.303CS..Hα-helixtrans-67.9-42.5178.1-84.3-102.5000112.2I207 V209 V233 I234 N235 F240 R241 V262 F284 L286 I301 W304I207-F237 HydrophobicContact CD1-CZ 4.26Å; I207-F237 HydrophobicContact CG2-CE1 4.15Å; I207-F237 HydrophobicContact CG2-CZ 4.44Å; V209-F237 HydrophobicContact CG2-CE2 4.35Å; V209-F237 HydrophobicContact CG2-CZ 4.37Å; V233-F237 HydrophobicContact CG1-CD2 3.96Å; V233-F237 HydrophobicContact CG1-CE2 3.99Å; V233-F237 WeakPolarHBondContact O-CD2 3.32Å; V233-F237 PolarHBondContact O-N 3.42Å; V233-F237 VanDerWaalsContact O-N 3.09Å; I234-F237 PolarHBondContact O-N 3.18Å; N235-F237 PolarHBondContact O-N 3.27Å; F237-F240 PolarHBondContact O-N 2.82Å; F237-R241 PolarHBondContact O-N 3.31Å; F237-V262 HydrophobicContact CB-CG1 4.21Å; F237-V262 HydrophobicContact CD1-CG1 3.86Å; F237-F284 HydrophobicContact CB-CD1 4.08Å; F237-F284 HydrophobicContact CB-CE1 3.6Å; F237-F284 HydrophobicContact CB-CE2 4.27Å; F237-F284 HydrophobicContact CB-CZ 3.71Å; F237-F284 HydrophobicContact CD1-CB 4.29Å; F237-F284 HydrophobicContact CD1-CD1 4.01Å; F237-F284 AromaticContact CD1-CD2 3.78Å; F237-F284 HydrophobicContact CD1-CD2 3.78Å; F237-F284 HydrophobicContact CD1-CE1 4.26Å; F237-F284 HydrophobicContact CD1-CE2 4.03Å; F237-F284 AromaticContact CD1-CG 3.77Å; F237-F284 HydrophobicContact CD1-CG 3.77Å; F237-F284 HydrophobicContact CD1-CZ 4.28Å; F237-F284 HydrophobicContact CD2-CD2 4.43Å; F237-F284 AromaticContact CD2-CE2 3.93Å; F237-F284 HydrophobicContact CD2-CE2 3.93Å; F237-F284 HydrophobicContact CD2-CZ 4.12Å; F237-F284 HydrophobicContact CE1-CB 4.42Å; F237-F284 AromaticContact CE1-CD2 3.89Å; F237-F284 HydrophobicContact CE1-CD2 3.89Å; F237-F284 HydrophobicContact CE1-CE2 4.33Å; F237-F284 HydrophobicContact CE1-CG 4.15Å; F237-F284 HydrophobicContact CE2-CE2 4.23Å; F237-F284 HydrophobicContact CG-CD1 4.21Å; F237-F284 HydrophobicContact CG-CD2 4.07Å; F237-F284 AromaticContact CG-CE1 3.99Å; F237-F284 HydrophobicContact CG-CE1 3.99Å; F237-F284 AromaticContact CG-CE2 3.82Å; F237-F284 HydrophobicContact CG-CE2 3.82Å; F237-F284 HydrophobicContact CG-CG 4.26Å; F237-F284 AromaticContact CG-CZ 3.79Å; F237-F284 HydrophobicContact CG-CZ 3.79Å; F237-F284 HydrophobicContact CZ-CD2 4.25Å; F237-F284 HydrophobicContact CZ-CE2 4.42Å; F237-L286 HydrophobicContact CE1-CD1 4.31Å; F237-L286 HydrophobicContact CE1-CD2 4.16Å; F237-I301 HydrophobicContact CE1-CG1 4.37Å; F237-I301 HydrophobicContact CZ-CG1 4.1Å; F237-I301 HydrophobicContact CZ-CG2 3.92Å; F237-W304 HydrophobicContact CD1-CZ3 4.37Å; F237-W304 AromaticContact CD2-CE3 3.92Å; F237-W304 HydrophobicContact CD2-CE3 3.92Å; F237-W304 HydrophobicContact CD2-CZ3 4.37Å; F237-W304 HydrophobicContact CE1-CZ3 4.42Å; F237-W304 AromaticContact CE2-CE3 3.84Å; F237-W304 HydrophobicContact CE2-CE3 3.84Å; F237-W304 HydrophobicContact CE2-CZ3 4.43Å; F237-W304 HydrophobicContact CG-CE3 4.36Å; F237-W304 HydrophobicContact CG-CZ3 4.36Å; F237-W304 HydrophobicContact CZ-CE3 4.19Å; F237-W304 HydrophobicContact CZ-CZ3 4.46Å
238L98.2Very high96.6Very high58 Ų5864.5 Ų64.530%0.30429%0.294SS..Hα-helixtrans-75.6-32-178.8-64.9-175.5000112.9I234 N235 F240 R241 E242I234-L238 HydrophobicContact CG2-CD1 3.62Å; I234-L238 HydrophobicContact CG2-CG 4.17Å; I234-L238 WeakPolarHBondContact O-CB 3.43Å; I234-L238 VanDerWaalsContact O-CG 3.3Å; I234-L238 WeakPolarHBondContact O-CG 3.24Å; I234-L238 PolarHBondContact O-N 2.74Å; N235-L238 PolarHBondContact O-N 3.48Å; L238-F240 VanDerWaalsContact C-N 3.32Å; L238-R241 WeakPolarHBondContact O-CB 3.36Å; L238-R241 PolarHBondContact O-N 2.83Å; L238-E242 PolarHBondContact O-N 2.93Å
239D98.4Very high96.1Very high98 Ų9865.3 Ų65.352%0.52430%0.302SS..Hα-helixtrans-65.2-39.3171.5-73.4-14.3000110.8N235 E242 K243N235-D239 WeakPolarHBondContact O-CB 3.23Å; N235-D239 PolarHBondContact O-N 3.26Å; D239-E242 PolarHBondContact O-N 2.93Å; D239-K243 WeakPolarHBondContact O-CG 3.21Å; D239-K243 PolarHBondContact O-N 2.73Å
240F98.1Very high95.4Very high22 Ų2268.9 Ų68.910%0.09632%0.324CS..Hα-helixtrans-63.7-44.2172179.4-95.9000111.7S236 F237 L238 E242 K243 E244 T260 V262 F297 W304S236-F240 PolarHBondContact O-N 3.18Å; F237-F240 PolarHBondContact O-N 2.82Å; L238-F240 VanDerWaalsContact C-N 3.32Å; F240-E242 VanDerWaalsContact C-N 3.33Å; F240-E242 PolarHBondContact O-N 3.22Å; F240-K243 WeakPolarHBondContact O-CB 3.39Å; F240-K243 PolarHBondContact O-N 3.37Å; F240-K243 VanDerWaalsContact O-N 3.11Å; F240-E244 HydrophobicContact CD1-CG 4.03Å; F240-E244 HydrophobicContact CE1-CG 3.51Å; F240-E244 HydrophobicContact CE2-CG 4.35Å; F240-E244 HydrophobicContact CZ-CG 3.69Å; F240-E244 PolarHBondContact O-N 3.09Å; F240-T260 HydrophobicContact CE1-CG2 3.86Å; F240-T260 HydrophobicContact CZ-CG2 4.48Å; F240-V262 HydrophobicContact CD1-CG2 3.85Å; F240-V262 HydrophobicContact CE1-CG2 4.15Å; F240-F297 HydrophobicContact CD1-CE2 4.17Å; F240-F297 HydrophobicContact CD1-CZ 4.27Å; F240-F297 HydrophobicContact CD2-CE2 4.42Å; F240-F297 AromaticContact CE1-CE2 3.55Å; F240-F297 HydrophobicContact CE1-CE2 3.55Å; F240-F297 AromaticContact CE1-CZ 3.66Å; F240-F297 HydrophobicContact CE1-CZ 3.66Å; F240-F297 AromaticContact CE2-CE2 3.85Å; F240-F297 HydrophobicContact CE2-CE2 3.85Å; F240-F297 HydrophobicContact CZ-CD2 4.18Å; F240-F297 AromaticContact CZ-CE2 3.37Å; F240-F297 HydrophobicContact CZ-CE2 3.37Å; F240-F297 AromaticContact CZ-CZ 3.93Å; F240-F297 HydrophobicContact CZ-CZ 3.93Å; F240-W304 HydrophobicContact CB-CH2 3.57Å; F240-W304 HydrophobicContact CB-CZ2 3.89Å; F240-W304 HydrophobicContact CB-CZ3 4.5Å; F240-W304 HydrophobicContact CD1-CH2 4.21Å; F240-W304 AromaticContact CD2-CH2 3.84Å; F240-W304 HydrophobicContact CD2-CH2 3.84Å; F240-W304 HydrophobicContact CD2-CZ2 4.07Å; F240-W304 AromaticContact CG-CH2 3.6Å; F240-W304 HydrophobicContact CG-CH2 3.6Å; F240-W304 HydrophobicContact CG-CZ2 4.14Å
241R97.1Very high94.4Very high84 Ų8470.6 Ų70.632%0.31734%0.337SS..Hα-helixtrans-54.4-46.9174.6-176.5-166.1-178.9-107.76.8112.3F237 L238 K243 E244 K245 V262F237-R241 PolarHBondContact O-N 3.31Å; L238-R241 WeakPolarHBondContact O-CB 3.36Å; L238-R241 PolarHBondContact O-N 2.83Å; R241-K243 VanDerWaalsContact C-N 3.29Å; R241-K243 PolarHBondContact O-N 2.8Å; R241-E244 PolarHBondContact O-N 3.22Å; R241-K245 WeakPolarHBondContact O-CB 3.42Å; R241-K245 PolarHBondContact O-N 2.96Å; R241-V262 HydrophobicContact CB-CB 4.12Å; R241-V262 WeakPolarHBondContact CD-O 3.42Å; R241-V262 HydrophobicContact CG-CB 4.42Å; R241-V262 WeakPolarHBondContact CG-O 3.41Å; R241-V262 PolarHBondContact NE-O 3.34Å
242E96.9Very high93Very high89 Ų8972 Ų7242%0.41635%0.351SS..Hα-helixtrans-66.5-32179.9-68.6-53125.500112L238 D239 F240 H246L238-E242 PolarHBondContact O-N 2.93Å; D239-E242 PolarHBondContact O-N 2.93Å; F240-E242 VanDerWaalsContact C-N 3.33Å; F240-E242 PolarHBondContact O-N 3.22Å; E242-H246 WeakPolarHBondContact O-CB 3.5Å; E242-H246 PolarHBondContact O-N 3.44Å
243K95.7Very high91.8Very high137 Ų13773.3 Ų73.360%0.59637%0.368SS*.Hα-helixtrans-64.2-45.2171.1-68.5168.7-172.71700112D239 F240 R241 H246 R247D239-K243 WeakPolarHBondContact O-CG 3.21Å; D239-K243 PolarHBondContact O-N 2.73Å; F240-K243 WeakPolarHBondContact O-CB 3.39Å; F240-K243 PolarHBondContact O-N 3.37Å; F240-K243 VanDerWaalsContact O-N 3.11Å; R241-K243 VanDerWaalsContact C-N 3.29Å; R241-K243 PolarHBondContact O-N 2.8Å; K243-H246 WeakPolarHBondContact O-CB 3.29Å; K243-H246 PolarHBondContact O-N 2.94Å; K243-R247 PolarHBondContact O-N 3.2Å
244E95.4Very high90.9Very high11 Ų1177 Ų775%0.05138%0.384CS..Hα-helixtrans-66.2-40.1177.6-66.2-65.896.500111.7F240 R241 H246 R247 L248 T260F240-E244 HydrophobicContact CD1-CG 4.03Å; F240-E244 HydrophobicContact CE1-CG 3.51Å; F240-E244 HydrophobicContact CE2-CG 4.35Å; F240-E244 HydrophobicContact CZ-CG 3.69Å; F240-E244 PolarHBondContact O-N 3.09Å; R241-E244 PolarHBondContact O-N 3.22Å; E244-H246 VanDerWaalsContact C-N 3.32Å; E244-H246 PolarHBondContact O-N 3.36Å; E244-R247 VanDerWaalsContact CD-NH1 3.26Å; E244-R247 WeakPolarHBondContact O-CB 3.47Å; E244-R247 PolarHBondContact O-N 3.02Å; E244-R247 IonicContact OE1-CZ 2.71Å; E244-R247 VanDerWaalsContact OE1-CZ 3.31Å; E244-R247 IonicContact OE1-NH1 3.64Å; E244-R247 PolarHBondContact OE1-NH1 3.24Å; E244-R247 IonicContact OE1-NH2 2.63Å; E244-R247 IonicContact OE2-CZ 2.99Å; E244-R247 VanDerWaalsContact OE2-CZ 3.22Å; E244-R247 IonicContact OE2-NH1 3.45Å; E244-R247 PolarHBondContact OE2-NH1 3.02Å; E244-R247 VanDerWaalsContact OE2-NH1 3.17Å; E244-R247 IonicContact OE2-NH2 3.87Å; E244-R247 PolarHBondContact OE2-NH2 3.18Å; E244-L248 PolarHBondContact O-N 2.94Å; E244-T260 WeakPolarHBondContact CB-O 3.32Å; E244-T260 VanDerWaalsContact CG-O 3.25Å; E244-T260 WeakPolarHBondContact CG-O 3.49Å; E244-T260 WeakPolarHBondContact OE2-CA 3.09Å; E244-T260 WeakPolarHBondContact OE2-CB 3.29Å; E244-T260 PolarHBondContact OE2-N 2.66Å; E244-T260 PolarHBondContact OE2-OG1 3.21Å
245K93.7Very high90.1Very high108 Ų10877.8 Ų77.847%0.4739%0.39SS..Hα-helixtrans-62.3-40.2173.4-175.2-176176.1-170.30111.4R241 N249R241-K245 WeakPolarHBondContact O-CB 3.42Å; R241-K245 PolarHBondContact O-N 2.96Å; K245-N249 PolarHBondContact O-N 2.94Å; K245-N249 PolarHBondContact O-ND2 3.16Å
246H92.5Very high89.4Confident131 Ų13178.3 Ų78.361%0.60639%0.393SS*.Hα-helixtrans-62.6-47.6172.6-175.467.5000110.4E242 K243 E244 L248 N249 T250E242-H246 WeakPolarHBondContact O-CB 3.5Å; E242-H246 PolarHBondContact O-N 3.44Å; K243-H246 WeakPolarHBondContact O-CB 3.29Å; K243-H246 PolarHBondContact O-N 2.94Å; E244-H246 VanDerWaalsContact C-N 3.32Å; E244-H246 PolarHBondContact O-N 3.36Å; H246-L248 VanDerWaalsContact C-N 3.31Å; H246-L248 PolarHBondContact O-N 3.41Å; H246-N249 CarbonylContact O-C 3.59Å; H246-N249 WeakPolarHBondContact O-CA 3.49Å; H246-N249 PolarHBondContact O-N 2.94Å; H246-T250 WeakPolarHBondContact O-CG2 3.21Å; H246-T250 PolarHBondContact O-N 3.33Å
247R90Very high88.8Confident74 Ų7477.3 Ų77.328%0.27939%0.386SS..Hα-helixtrans-55.3-44.1178-168.8171.283.1-135.7-4.8112.2K243 E244 N249 T250 F254 D258 V259K243-R247 PolarHBondContact O-N 3.2Å; E244-R247 VanDerWaalsContact CD-NH1 3.26Å; E244-R247 WeakPolarHBondContact O-CB 3.47Å; E244-R247 PolarHBondContact O-N 3.02Å; E244-R247 IonicContact OE1-CZ 2.71Å; E244-R247 VanDerWaalsContact OE1-CZ 3.31Å; E244-R247 IonicContact OE1-NH1 3.64Å; E244-R247 PolarHBondContact OE1-NH1 3.24Å; E244-R247 IonicContact OE1-NH2 2.63Å; E244-R247 IonicContact OE2-CZ 2.99Å; E244-R247 VanDerWaalsContact OE2-CZ 3.22Å; E244-R247 IonicContact OE2-NH1 3.45Å; E244-R247 PolarHBondContact OE2-NH1 3.02Å; E244-R247 VanDerWaalsContact OE2-NH1 3.17Å; E244-R247 IonicContact OE2-NH2 3.87Å; E244-R247 PolarHBondContact OE2-NH2 3.18Å; R247-N249 PolarHBondContact O-N 2.83Å; R247-T250 PolarHBondContact O-N 3.46Å; R247-T250 PolarHBondContact O-OG1 3.01Å; R247-F254 HydrophobicContact CG-CD2 4.46Å; R247-F254 HydrophobicContact CG-CE2 4.1Å; R247-F254 WeakPolarHBondContact O-CD2 3.41Å; R247-D258 PolarHBondContact NH2-O 3.29Å; R247-D258 VanDerWaalsContact NH2-O 3.12Å; R247-V259 HydrophobicContact CB-CG1 4.48Å
248L88.8Confident88.3Confident43 Ų4378.9 Ų78.923%0.22539%0.394CS..Hα-helixtrans-54.3-37.7174.8-178.459.9000112.2E244 H246 F254 T255 L256 V259E244-L248 PolarHBondContact O-N 2.94Å; H246-L248 VanDerWaalsContact C-N 3.31Å; H246-L248 PolarHBondContact O-N 3.41Å; L248-F254 HydrophobicContact CD1-CB 4.26Å; L248-T255 VanDerWaalsContact CD1-O 3.29Å; L248-T255 WeakPolarHBondContact CD1-O 3.39Å; L248-L256 HydrophobicContact CD2-CD1 4.1Å; L248-V259 HydrophobicContact CB-CG1 4Å; L248-V259 HydrophobicContact CB-CG2 4.13Å; L248-V259 HydrophobicContact CD1-CG1 4.39Å; L248-V259 HydrophobicContact CD1-CG2 4.19Å; L248-V259 HydrophobicContact CD2-CG2 4.31Å; L248-V259 HydrophobicContact CG-CG2 4.45Å
249N87.4Confident88Confident118 Ų11876.2 Ų76.263%0.63138%0.381SS*.THydrogen-bonded Turntrans-87.60.4-179.3-61.7-44.3000114.1K245 H246 R247K245-N249 PolarHBondContact O-N 2.94Å; K245-N249 PolarHBondContact O-ND2 3.16Å; H246-N249 CarbonylContact O-C 3.59Å; H246-N249 WeakPolarHBondContact O-CA 3.49Å; H246-N249 PolarHBondContact O-N 2.94Å; R247-N249 PolarHBondContact O-N 2.83Å
250T83.6Confident87.8Confident81 Ų8171.7 Ų71.750%0.49736%0.356SS..THydrogen-bonded Turntrans-84.5-16.5-178.256.80000114.3H246 R247H246-T250 WeakPolarHBondContact O-CG2 3.21Å; H246-T250 PolarHBondContact O-N 3.33Å; R247-T250 PolarHBondContact O-N 3.46Å; R247-T250 PolarHBondContact O-OG1 3.01Å
251S76Confident87.7Confident47 Ų4772.2 Ų72.233%0.32936%0.361SS..  trans-146.6137.8180178.70000109.8C253 F254S251-C253 PolarHBondContact O-N 3.48Å; S251-C253 PolarHBondContact OG-N 2.82Å; S251-C253 VanDerWaalsContact OG-N 3.15Å; S251-F254 PolarHBondContact O-N 3.35Å
252E69.3Low87.7Confident204 Ų20468.2 Ų68.295%0.95335%0.346SS*.THydrogen-bonded Turntrans-65.7-15.5171.8-63.9-175.8169.400112.4
253C72.8Confident87.6Confident108 Ų10867.3 Ų67.373%0.7334%0.344SS*.THydrogen-bonded Turntrans-84.1-16.3179.4-56.40000113.9S251S251-C253 PolarHBondContact O-N 3.48Å; S251-C253 PolarHBondContact OG-N 2.82Å; S251-C253 VanDerWaalsContact OG-N 3.15Å
254F80.4Confident87.7Confident78 Ų7864.8 Ų64.834%0.34234%0.336SS..  trans-80.4124.5177.4-74.9-48.5000109.8R247 L248 S251 D258R247-F254 HydrophobicContact CG-CD2 4.46Å; R247-F254 HydrophobicContact CG-CE2 4.1Å; R247-F254 WeakPolarHBondContact O-CD2 3.41Å; L248-F254 HydrophobicContact CD1-CB 4.26Å; S251-F254 PolarHBondContact O-N 3.35Å; F254-D258 HydrophobicContact CB-CB 4.43Å; F254-D258 HydrophobicContact CD1-CB 3.52Å; F254-D258 HydrophobicContact CE1-CB 4.22Å; F254-D258 HydrophobicContact CG-CB 4.36Å
255T81.9Confident87.5Confident48 Ų4868.1 Ų68.129%0.29436%0.357SS..  trans-93.3174.5166.574.90000109.4L248 G257 D258 E352L248-T255 VanDerWaalsContact CD1-O 3.29Å; L248-T255 WeakPolarHBondContact CD1-O 3.39Å; T255-G257 PolarHBondContact O-N 3.01Å; T255-G257 PolarHBondContact OG1-N 3.13Å; T255-D258 PolarHBondContact N-OD2 3.24Å; T255-D258 PolarHBondContact O-N 3.36Å; T255-D258 VanDerWaalsContact O-N 3.12Å; T255-D258 PolarHBondContact OG1-OD2 3.42Å; T255-E352 HydrophobicContact CG2-CG 4.28Å; T255-E352 WeakPolarHBondContact OG1-CG 3.33Å; T255-E352 PolarHBondContact OG1-OE1 3.25Å
256L84.8Confident87.6Confident84 Ų8467.4 Ų67.444%0.4436%0.356SS..G310 helixtrans-53.9-41.2173.6-167.759.9000109.3R202 L248 D258 V259 T261R202-L256 PolarHBondContact NE-O 3.21Å; R202-L256 PolarHBondContact NH1-O 3.37Å; R202-L256 PolarHBondContact NH2-O 3.46Å; L248-L256 HydrophobicContact CD2-CD1 4.1Å; L256-D258 PolarHBondContact O-N 2.92Å; L256-V259 HydrophobicContact CD1-CG2 4.36Å; L256-V259 WeakPolarHBondContact O-CG2 3.28Å; L256-V259 PolarHBondContact O-N 2.95Å; L256-V259 VanDerWaalsContact O-N 3.11Å; L256-T261 HydrophobicContact CD1-CG2 3.92Å
257G85.3Confident87.8Confident0 Ų064.5 Ų64.50%035%0.348CS..G310 helixtrans-47.4-25.317700000116.1R202 T255 P289 I353R202-G257 PolarHBondContact NE-O 3.17Å; R202-G257 VanDerWaalsContact NH2-CA 3.28Å; R202-G257 VanDerWaalsContact NH2-N 3.14Å; T255-G257 PolarHBondContact O-N 3.01Å; T255-G257 PolarHBondContact OG1-N 3.13Å; G257-P289 VanDerWaalsContact O-CB 3.31Å; G257-P289 WeakPolarHBondContact O-CB 3.39Å; G257-I353 WeakPolarHBondContact CA-O 3.23Å
258D87.9Confident88.1Confident33 Ų3367.6 Ų67.618%0.17636%0.363CS..G310 helixtrans-95.8-4.1-173.8-58.5-55000114.5R247 F254 T255 L256R247-D258 PolarHBondContact NH2-O 3.29Å; R247-D258 VanDerWaalsContact NH2-O 3.12Å; F254-D258 HydrophobicContact CB-CB 4.43Å; F254-D258 HydrophobicContact CD1-CB 3.52Å; F254-D258 HydrophobicContact CE1-CB 4.22Å; F254-D258 HydrophobicContact CG-CB 4.36Å; T255-D258 PolarHBondContact N-OD2 3.24Å; T255-D258 PolarHBondContact O-N 3.36Å; T255-D258 VanDerWaalsContact O-N 3.12Å; T255-D258 PolarHBondContact OG1-OD2 3.42Å; L256-D258 PolarHBondContact O-N 2.92Å
259V92.1Very high88.4Confident3 Ų367.8 Ų67.82%0.01838%0.376CS..SBendtrans-121.2152.8-178.5-58.30000113.1R202 R247 L248 L256R202-V259 VanDerWaalsContact CZ-O 3.29Å; R202-V259 PolarHBondContact NE-O 3.22Å; R202-V259 PolarHBondContact NH1-O 3.18Å; R247-V259 HydrophobicContact CB-CG1 4.48Å; L248-V259 HydrophobicContact CB-CG1 4Å; L248-V259 HydrophobicContact CB-CG2 4.13Å; L248-V259 HydrophobicContact CD1-CG1 4.39Å; L248-V259 HydrophobicContact CD1-CG2 4.19Å; L248-V259 HydrophobicContact CD2-CG2 4.31Å; L248-V259 HydrophobicContact CG-CG2 4.45Å; L256-V259 HydrophobicContact CD1-CG2 4.36Å; L256-V259 WeakPolarHBondContact O-CG2 3.28Å; L256-V259 PolarHBondContact O-N 2.95Å; L256-V259 VanDerWaalsContact O-N 3.11Å
260T94.6Very high88.7Confident2 Ų264.2 Ų64.21%0.01237%0.367CS..  trans-80.5120.4173-49.20000108.8F240 E244 V262 R287 I288 P289 F297F240-T260 HydrophobicContact CE1-CG2 3.86Å; F240-T260 HydrophobicContact CZ-CG2 4.48Å; E244-T260 WeakPolarHBondContact CB-O 3.32Å; E244-T260 VanDerWaalsContact CG-O 3.25Å; E244-T260 WeakPolarHBondContact CG-O 3.49Å; E244-T260 WeakPolarHBondContact OE2-CA 3.09Å; E244-T260 WeakPolarHBondContact OE2-CB 3.29Å; E244-T260 PolarHBondContact OE2-N 2.66Å; E244-T260 PolarHBondContact OE2-OG1 3.21Å; T260-V262 HydrophobicContact CG2-CG2 4.31Å; T260-R287 VanDerWaalsContact CA-O 3.26Å; T260-R287 WeakPolarHBondContact CA-O 3.37Å; T260-I288 HydrophobicContact CG2-CB 4.34Å; T260-I288 HydrophobicContact CG2-CG1 3.79Å; T260-I288 HydrophobicContact CG2-CG2 4.49Å; T260-P289 WeakPolarHBondContact OG1-CD 3.27Å; T260-F297 HydrophobicContact CG2-CE1 4.3Å; T260-F297 HydrophobicContact CG2-CZ 4.17Å
261T94.7Very high89.3Confident33 Ų3366.7 Ų66.720%0.20238%0.381CS..EExtended strand (participates in β ladder)trans-91.5146.1167.455.80000109.2L256 L286 R287L256-T261 HydrophobicContact CD1-CG2 3.92Å; T261-L286 VanDerWaalsContact O-CA 3.24Å; T261-L286 WeakPolarHBondContact O-CA 3.21Å; T261-R287 PolarHBondContact N-O 3.41Å; T261-R287 VanDerWaalsContact N-O 3.08Å; T261-R287 PolarHBondContact O-N 3.22Å; T261-R287 WeakPolarHBondContact OG1-CB 3.36Å
262V97.1Very high90.2Very high1 Ų166.9 Ų66.91%0.00639%0.385CS..EExtended strand (participates in β ladder)trans-135.1124.9173.7179.80000106.8F237 F240 R241 T260 F284 D285 L286F237-V262 HydrophobicContact CB-CG1 4.21Å; F237-V262 HydrophobicContact CD1-CG1 3.86Å; F240-V262 HydrophobicContact CD1-CG2 3.85Å; F240-V262 HydrophobicContact CE1-CG2 4.15Å; R241-V262 HydrophobicContact CB-CB 4.12Å; R241-V262 WeakPolarHBondContact CD-O 3.42Å; R241-V262 HydrophobicContact CG-CB 4.42Å; R241-V262 WeakPolarHBondContact CG-O 3.41Å; R241-V262 PolarHBondContact NE-O 3.34Å; T260-V262 HydrophobicContact CG2-CG2 4.31Å; V262-F284 HydrophobicContact CG1-CB 4.39Å; V262-F284 HydrophobicContact CG1-CD1 3.97Å; V262-F284 HydrophobicContact CG1-CG 4.47Å; V262-D285 WeakPolarHBondContact CA-O 3.4Å; V262-L286 HydrophobicContact CG1-CG 4.33Å; V262-L286 HydrophobicContact CG2-CD2 3.93Å; V262-L286 HydrophobicContact CG2-CG 4.04Å
263N95.9Very high91.4Very high70 Ų7069.3 Ų69.337%0.37439%0.388SS..EExtended strand (participates in β ladder)trans-130.6131.7175.1-64.5-66.2000109.6T265 F284 D285N263-T265 PolarHBondContact O-N 3.14Å; N263-F284 CarbonylContact O-C 3.6Å; N263-F284 WeakPolarHBondContact O-CA 3.47Å; N263-D285 PolarHBondContact N-O 3Å; N263-D285 PolarHBondContact O-N 3.29Å
264M97.3Very high92.5Very high84 Ų8468.1 Ų68.141%0.41437%0.374SS..EExtended strand (participates in β ladder)trans-76.6118.6172.6-172.3-179.274.200108.6I234 V267 V282 F284I234-M264 HydrophobicContact CD1-SD 3.98Å; I234-M264 HydrophobicContact CG1-SD 4.05Å; I234-M264 HydrophobicContact CG2-SD 4.46Å; M264-V267 HydrophobicContact CE-CG2 3.87Å; M264-V267 HydrophobicContact CG-CG2 4.25Å; M264-V267 HydrophobicContact SD-CG2 3.66Å; M264-V282 HydrophobicContact CG-CG2 3.58Å; M264-V282 HydrophobicContact SD-CG2 3.75Å; M264-F284 HydrophobicContact CB-CD1 3.9Å; M264-F284 HydrophobicContact CB-CE1 3.77Å; M264-F284 HydrophobicContact CG-CD1 4.31Å; M264-F284 HydrophobicContact CG-CE1 3.96Å; M264-F284 HydrophobicContact CG-CZ 4.48Å
265T91.4Very high93.3Very high81 Ų8167.3 Ų67.350%0.49738%0.376SS..EExtended strand (participates in β ladder)trans-108.3-28.9-169.953.20000113.1N263 S283 D285N263-T265 PolarHBondContact O-N 3.14Å; T265-S283 PolarHBondContact N-O 3.43Å; T265-S283 PolarHBondContact OG1-O 3Å; T265-D285 HydrophobicContact CG2-CB 3.88Å
266M94.9Very high94Very high93 Ų9366.4 Ų66.446%0.45837%0.368SS..EExtended strand (participates in β ladder)trans-145.3146.9179.5-63.6-177.4-78.200111.2V282 S283M266-V282 CarbonylContact O-C 3.52Å; M266-V282 WeakPolarHBondContact O-CA 3.47Å; M266-S283 PolarHBondContact O-N 2.89Å
267V97.4Very high94.6Very high70 Ų7063.7 Ų63.742%0.42436%0.356SS..EExtended strand (participates in β ladder)trans-137.7134.1168.51780000108.3L230 M264 D281 V282L230-V267 HydrophobicContact CD2-CG1 4.17Å; M264-V267 HydrophobicContact CE-CG2 3.87Å; M264-V267 HydrophobicContact CG-CG2 4.25Å; M264-V267 HydrophobicContact SD-CG2 3.66Å; V267-D281 CarbonylContact C-O 3.59Å; V267-D281 WeakPolarHBondContact CA-O 3.32Å; V267-V282 HydrophobicContact CG2-CB 4.43Å; V267-V282 HydrophobicContact CG2-CG2 4.03Å
268K96.5Very high95.2Very high139 Ų13966.4 Ų66.460%0.60438%0.379SS*.EExtended strand (participates in β ladder)trans-137.8146179.3-65.6178.3-177.7172.40110.7M280 D281K268-M280 CarbonylContact O-C 3.54Å; K268-M280 VanDerWaalsContact O-CA 3.28Å; K268-M280 WeakPolarHBondContact O-CA 3.42Å; K268-D281 HydrophobicContact CB-CB 4.49Å; K268-D281 PolarHBondContact N-O 3.38Å; K268-D281 PolarHBondContact O-N 3.32Å
269G95.1Very high95.7Very high47 Ų4769.3 Ų69.349%0.48539%0.391SS..EExtended strand (participates in β ladder)trans153.4157.4173.500000113.6
270G94.4Very high96Very high43 Ų4370.7 Ų70.744%0.44340%0.398SS..  trans83.4154.9-178.600000114.5
271V94.9Very high96.2Very high133 Ų13372.1 Ų72.181%0.80641%0.405SS*.SBendtrans-133.4-18-176.1-63.70000113.7V275V271-V275 HydrophobicContact CG2-CG1 4.4Å
272A94.8Very high96.4Very high50 Ų5070.5 Ų70.541%0.41340%0.396SS..SBendtrans-159.4155.6-179.800000110.7N274 V275A272-N274 VanDerWaalsContact C-N 3.28Å; A272-N274 PolarHBondContact O-N 2.89Å; A272-V275 HydrophobicContact CB-CB 4.33Å; A272-V275 HydrophobicContact CB-CG2 4.01Å; A272-V275 PolarHBondContact O-N 3.01Å
273Y94.6Very high96.4Very high255 Ų25571 Ų71100%140%0.399SS*.THydrogen-bonded Turntrans-61.1-30.5-176.7-70.8-65.6000114.9
274N96.6Very high96.5Very high83 Ų8367.7 Ų67.744%0.44438%0.381SS..THydrogen-bonded Turntrans-106.312.8-174.768.5-33000113.5G218 A272G218-N274 PolarHBondContact N-O 2.76Å; A272-N274 VanDerWaalsContact C-N 3.28Å; A272-N274 PolarHBondContact O-N 2.89Å
275V96.9Very high96.4Very high62 Ų6265.1 Ų65.138%0.37637%0.369SS..EExtended strand (participates in β ladder)trans-118118-180-179.30000109.3V271 A272V271-V275 HydrophobicContact CG2-CG1 4.4Å; A272-V275 HydrophobicContact CB-CB 4.33Å; A272-V275 HydrophobicContact CB-CG2 4.01Å; A272-V275 PolarHBondContact O-N 3.01Å
276I97.4Very high96.6Very high28 Ų2861.3 Ų61.314%0.14435%0.345CS..EExtended strand (participates in β ladder)trans-65.8125.9172.1-59.5171.3000107.7P215 G216 V222 T225P215-I276 WeakPolarHBondContact CA-O 3.5Å; P215-I276 WeakPolarHBondContact CB-O 3.5Å; G216-I276 WeakPolarHBondContact O-CB 3.32Å; G216-I276 PolarHBondContact O-N 2.76Å; V222-I276 HydrophobicContact CB-CD1 3.79Å; V222-I276 HydrophobicContact CG2-CD1 3.6Å; T225-I276 HydrophobicContact CG2-CG2 3.95Å
277P97.6Very high96.6Very high27 Ų2759.5 Ų59.518%0.17533%0.334CS..  trans-62.3139.9-177.9-2131.5000112.6E279 M280P277-E279 VanDerWaalsContact C-N 3.28Å; P277-E279 WeakPolarHBondContact CB-O 3.49Å; P277-M280 HydrophobicContact CB-CG 3.95Å; P277-M280 HydrophobicContact CG-CG 4.22Å; P277-M280 HydrophobicContact CG-SD 4.23Å
278A97.6Very high96.4Very high58 Ų5856.1 Ų56.148%0.47931%0.313SS..SBendtrans-76.1-19.1169.900000112.6P212 G213 P215P212-A278 CarbonylContact C-O 3.36Å; P212-A278 WeakPolarHBondContact CA-O 3.21Å; G213-A278 PolarHBondContact N-O 3.5Å; G213-A278 CarbonylContact O-C 3.49Å; G213-A278 WeakPolarHBondContact O-CA 3.49Å; G213-A278 VanDerWaalsContact O-O 3.08Å; P215-A278 HydrophobicContact CB-CB 4.07Å; P215-A278 HydrophobicContact CG-CB 4.21Å
279E98.1Very high96.1Very high94 Ų9449.5 Ų49.544%0.43929%0.285SS..EExtended strand (participates in β ladder)trans-154.6147.5-179.6-176174.576.700109.6C211 P277C211-E279 WeakPolarHBondContact O-CA 3.43Å; P277-E279 VanDerWaalsContact C-N 3.28Å; P277-E279 WeakPolarHBondContact CB-O 3.49Å
280M98.6Very high95.9Very high31 Ų3147.9 Ų47.915%0.15327%0.265CS..EExtended strand (participates in β ladder)trans-139.5144.2166.3-60.4-172.37500109.8C211 A226 A227 L230 K268 P277C211-M280 WeakPolarHBondContact CA-O 3.43Å; C211-M280 VanDerWaalsContact CB-O 3.27Å; C211-M280 WeakPolarHBondContact CB-O 3.37Å; C211-M280 PolarHBondContact N-O 3.5Å; C211-M280 PolarHBondContact O-N 3.35Å; A226-M280 HydrophobicContact CB-CB 4.22Å; A226-M280 HydrophobicContact CB-CG 3.8Å; A227-M280 HydrophobicContact CB-SD 3.9Å; L230-M280 HydrophobicContact CD1-CB 4.14Å; L230-M280 HydrophobicContact CD2-CB 3.94Å; L230-M280 HydrophobicContact CD2-CE 3.65Å; L230-M280 HydrophobicContact CD2-SD 3.92Å; L230-M280 HydrophobicContact CG-CB 4.44Å; K268-M280 CarbonylContact O-C 3.54Å; K268-M280 VanDerWaalsContact O-CA 3.28Å; K268-M280 WeakPolarHBondContact O-CA 3.42Å; P277-M280 HydrophobicContact CB-CG 3.95Å; P277-M280 HydrophobicContact CG-CG 4.22Å; P277-M280 HydrophobicContact CG-SD 4.23Å
281D98.2Very high95.7Very high32 Ų3250.7 Ų50.717%0.17127%0.274CS..EExtended strand (participates in β ladder)trans-117.4145.6178.7-66.2-12.7000110.4T208 V209 R210 V267 K268T208-D281 HydrophobicContact CG2-CB 4.2Å; V209-D281 WeakPolarHBondContact O-CA 3.21Å; R210-D281 WeakPolarHBondContact CA-OD1 3.44Å; R210-D281 WeakPolarHBondContact CG-OD1 3.4Å; V267-D281 CarbonylContact C-O 3.59Å; V267-D281 WeakPolarHBondContact CA-O 3.32Å; K268-D281 HydrophobicContact CB-CB 4.49Å; K268-D281 PolarHBondContact N-O 3.38Å; K268-D281 PolarHBondContact O-N 3.32Å
282V98.6Very high95.5Very high0 Ų045.8 Ų45.80%024%0.244CC..EExtended strand (participates in β ladder)trans-134138.8169.257.80000110T208 V209 L230 V233 I234 M264 M266 V267 F284T208-V282 CarbonylContact C-O 3.48Å; T208-V282 WeakPolarHBondContact CA-O 3.34Å; V209-V282 HydrophobicContact CB-CG1 4.12Å; V209-V282 PolarHBondContact N-O 3.16Å; V209-V282 PolarHBondContact O-N 3.23Å; L230-V282 HydrophobicContact CD1-CB 3.69Å; L230-V282 HydrophobicContact CD1-CG1 3.52Å; V233-V282 HydrophobicContact CG1-CG1 3.91Å; I234-V282 HydrophobicContact CG1-CG2 4.15Å; M264-V282 HydrophobicContact CG-CG2 3.58Å; M264-V282 HydrophobicContact SD-CG2 3.75Å; M266-V282 CarbonylContact O-C 3.52Å; M266-V282 WeakPolarHBondContact O-CA 3.47Å; V267-V282 HydrophobicContact CG2-CB 4.43Å; V267-V282 HydrophobicContact CG2-CG2 4.03Å; V282-F284 HydrophobicContact CB-CE2 4.28Å; V282-F284 HydrophobicContact CG1-CE2 3.7Å; V282-F284 HydrophobicContact CG1-CZ 4.14Å; V282-F284 HydrophobicContact CG2-CD2 4.34Å; V282-F284 HydrophobicContact CG2-CE1 4.24Å; V282-F284 HydrophobicContact CG2-CE2 3.64Å; V282-F284 HydrophobicContact CG2-CZ 3.57Å
283S98.3Very high95.5Very high10 Ų1047.8 Ų47.87%0.0725%0.248CC..EExtended strand (participates in β ladder)trans-116.7146.6176.7-50.10000112I207 T208 T265 M266I207-S283 CarbonylContact O-C 3.55Å; I207-S283 WeakPolarHBondContact O-CA 3.36Å; I207-S283 WeakPolarHBondContact O-CB 3.47Å; T208-S283 PolarHBondContact OG1-OG 3.44Å; T265-S283 PolarHBondContact N-O 3.43Å; T265-S283 PolarHBondContact OG1-O 3Å; M266-S283 PolarHBondContact O-N 2.89Å
284F98.1Very high95.5Very high1 Ų135.6 Ų35.60%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-129.9142.3177.3-56.1-92000111.3W206 I207 V233 I234 F237 V262 N263 M264 V282 L286W206-F284 WeakPolarHBondContact CA-O 3.37Å; I207-F284 HydrophobicContact CG2-CB 3.82Å; I207-F284 HydrophobicContact CG2-CD2 4.16Å; I207-F284 HydrophobicContact CG2-CG 4.49Å; I207-F284 PolarHBondContact N-O 3.23Å; I207-F284 PolarHBondContact O-N 2.98Å; V233-F284 HydrophobicContact CG1-CE2 4.1Å; V233-F284 HydrophobicContact CG1-CZ 4.46Å; I234-F284 HydrophobicContact CG1-CZ 4.37Å; F237-F284 HydrophobicContact CB-CD1 4.08Å; F237-F284 HydrophobicContact CB-CE1 3.6Å; F237-F284 HydrophobicContact CB-CE2 4.27Å; F237-F284 HydrophobicContact CB-CZ 3.71Å; F237-F284 HydrophobicContact CD1-CB 4.29Å; F237-F284 HydrophobicContact CD1-CD1 4.01Å; F237-F284 AromaticContact CD1-CD2 3.78Å; F237-F284 HydrophobicContact CD1-CD2 3.78Å; F237-F284 HydrophobicContact CD1-CE1 4.26Å; F237-F284 HydrophobicContact CD1-CE2 4.03Å; F237-F284 AromaticContact CD1-CG 3.77Å; F237-F284 HydrophobicContact CD1-CG 3.77Å; F237-F284 HydrophobicContact CD1-CZ 4.28Å; F237-F284 HydrophobicContact CD2-CD2 4.43Å; F237-F284 AromaticContact CD2-CE2 3.93Å; F237-F284 HydrophobicContact CD2-CE2 3.93Å; F237-F284 HydrophobicContact CD2-CZ 4.12Å; F237-F284 HydrophobicContact CE1-CB 4.42Å; F237-F284 AromaticContact CE1-CD2 3.89Å; F237-F284 HydrophobicContact CE1-CD2 3.89Å; F237-F284 HydrophobicContact CE1-CE2 4.33Å; F237-F284 HydrophobicContact CE1-CG 4.15Å; F237-F284 HydrophobicContact CE2-CE2 4.23Å; F237-F284 HydrophobicContact CG-CD1 4.21Å; F237-F284 HydrophobicContact CG-CD2 4.07Å; F237-F284 AromaticContact CG-CE1 3.99Å; F237-F284 HydrophobicContact CG-CE1 3.99Å; F237-F284 AromaticContact CG-CE2 3.82Å; F237-F284 HydrophobicContact CG-CE2 3.82Å; F237-F284 HydrophobicContact CG-CG 4.26Å; F237-F284 AromaticContact CG-CZ 3.79Å; F237-F284 HydrophobicContact CG-CZ 3.79Å; F237-F284 HydrophobicContact CZ-CD2 4.25Å; F237-F284 HydrophobicContact CZ-CE2 4.42Å; V262-F284 HydrophobicContact CG1-CB 4.39Å; V262-F284 HydrophobicContact CG1-CD1 3.97Å; V262-F284 HydrophobicContact CG1-CG 4.47Å; N263-F284 CarbonylContact O-C 3.6Å; N263-F284 WeakPolarHBondContact O-CA 3.47Å; M264-F284 HydrophobicContact CB-CD1 3.9Å; M264-F284 HydrophobicContact CB-CE1 3.77Å; M264-F284 HydrophobicContact CG-CD1 4.31Å; M264-F284 HydrophobicContact CG-CE1 3.96Å; M264-F284 HydrophobicContact CG-CZ 4.48Å; V282-F284 HydrophobicContact CB-CE2 4.28Å; V282-F284 HydrophobicContact CG1-CE2 3.7Å; V282-F284 HydrophobicContact CG1-CZ 4.14Å; V282-F284 HydrophobicContact CG2-CD2 4.34Å; V282-F284 HydrophobicContact CG2-CE1 4.24Å; V282-F284 HydrophobicContact CG2-CE2 3.64Å; V282-F284 HydrophobicContact CG2-CZ 3.57Å; F284-L286 HydrophobicContact CB-CD1 3.78Å
285D95.4Very high95.4Very high31 Ų3136.3 Ų36.317%0.16620%0.201CC..EExtended strand (participates in β ladder)trans-97.4118.6162.4-176.3-30.7000108.2W206 V262 N263 T265 R287W206-D285 PolarHBondContact NE1-OD2 3.49Å; W206-D285 VanDerWaalsContact NE1-OD2 3.08Å; V262-D285 WeakPolarHBondContact CA-O 3.4Å; N263-D285 PolarHBondContact N-O 3Å; N263-D285 PolarHBondContact O-N 3.29Å; T265-D285 HydrophobicContact CG2-CB 3.88Å; D285-R287 WeakPolarHBondContact OD1-CD 3.48Å; D285-R287 IonicContact OD1-CZ 2.8Å; D285-R287 IonicContact OD1-NE 2.78Å; D285-R287 PolarHBondContact OD1-NE 3.43Å; D285-R287 IonicContact OD1-NH2 2.75Å; D285-R287 IonicContact OD2-CZ 3.37Å; D285-R287 IonicContact OD2-NE 3.73Å; D285-R287 PolarHBondContact OD2-NE 3.06Å; D285-R287 IonicContact OD2-NH2 3.68Å; D285-R287 PolarHBondContact OD2-NH2 2.85Å
286L95.6Very high95.4Very high0 Ų038.3 Ų38.30%021%0.206CC..EExtended strand (participates in β ladder)trans-111.8129.8174.3-57.387000109.9P204 W205 I207 F237 T261 V262 F284 I288 F297 I301P204-L286 WeakPolarHBondContact CA-O 3.26Å; W205-L286 HydrophobicContact CB-CB 4.18Å; W205-L286 PolarHBondContact N-O 2.94Å; W205-L286 WeakPolarHBondContact O-CD1 3.46Å; W205-L286 PolarHBondContact O-N 2.99Å; I207-L286 HydrophobicContact CB-CD1 4.44Å; I207-L286 HydrophobicContact CG2-CD1 3.43Å; I207-L286 VanDerWaalsContact CG2-CD1 3.43Å; F237-L286 HydrophobicContact CE1-CD1 4.31Å; F237-L286 HydrophobicContact CE1-CD2 4.16Å; T261-L286 VanDerWaalsContact O-CA 3.24Å; T261-L286 WeakPolarHBondContact O-CA 3.21Å; V262-L286 HydrophobicContact CG1-CG 4.33Å; V262-L286 HydrophobicContact CG2-CD2 3.93Å; V262-L286 HydrophobicContact CG2-CG 4.04Å; F284-L286 HydrophobicContact CB-CD1 3.78Å; L286-I288 HydrophobicContact CB-CD1 4.46Å; L286-I288 HydrophobicContact CB-CG1 4.23Å; L286-F297 HydrophobicContact CD2-CE1 3.53Å; L286-F297 HydrophobicContact CD2-CZ 3.66Å; L286-I301 HydrophobicContact CD2-CD1 4.21Å
287R93.1Very high95.4Very high55 Ų5537.4 Ų37.421%0.20820%0.201CC..EExtended strand (participates in β ladder)trans-114.3108.2170.8-52.7-66.4172140.10.2108.9R202 T260 T261 D285R202-R287 HydrophobicContact CB-CB 4.15Å; R202-R287 WeakPolarHBondContact CD-O 3.46Å; T260-R287 VanDerWaalsContact CA-O 3.26Å; T260-R287 WeakPolarHBondContact CA-O 3.37Å; T261-R287 PolarHBondContact N-O 3.41Å; T261-R287 VanDerWaalsContact N-O 3.08Å; T261-R287 PolarHBondContact O-N 3.22Å; T261-R287 WeakPolarHBondContact OG1-CB 3.36Å; D285-R287 WeakPolarHBondContact OD1-CD 3.48Å; D285-R287 IonicContact OD1-CZ 2.8Å; D285-R287 IonicContact OD1-NE 2.78Å; D285-R287 PolarHBondContact OD1-NE 3.43Å; D285-R287 IonicContact OD1-NH2 2.75Å; D285-R287 IonicContact OD2-CZ 3.37Å; D285-R287 IonicContact OD2-NE 3.73Å; D285-R287 PolarHBondContact OD2-NE 3.06Å; D285-R287 IonicContact OD2-NH2 3.68Å; D285-R287 PolarHBondContact OD2-NH2 2.85Å
288I93.4Very high95.4Very high0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-107.9124-167.2-51.4157.4000109.8R202 N203 W205 T260 L286 V292 L294 F297R202-I288 CarbonylContact C-O 3.31Å; R202-I288 VanDerWaalsContact CA-O 3.27Å; R202-I288 WeakPolarHBondContact CA-O 3.28Å; N203-I288 HydrophobicContact CB-CB 4.38Å; N203-I288 PolarHBondContact N-O 3.06Å; N203-I288 PolarHBondContact O-N 2.95Å; W205-I288 HydrophobicContact CB-CD1 4.12Å; W205-I288 HydrophobicContact CD2-CD1 3.39Å; W205-I288 HydrophobicContact CE3-CD1 3.65Å; W205-I288 HydrophobicContact CG-CD1 3.61Å; W205-I288 HydrophobicContact CH2-CD1 4.48Å; W205-I288 HydrophobicContact CZ2-CD1 4.27Å; W205-I288 HydrophobicContact CZ3-CD1 4.2Å; T260-I288 HydrophobicContact CG2-CB 4.34Å; T260-I288 HydrophobicContact CG2-CG1 3.79Å; T260-I288 HydrophobicContact CG2-CG2 4.49Å; L286-I288 HydrophobicContact CB-CD1 4.46Å; L286-I288 HydrophobicContact CB-CG1 4.23Å; I288-V292 HydrophobicContact CG2-CB 3.71Å; I288-V292 HydrophobicContact CG2-CG1 3.7Å; I288-V292 HydrophobicContact CG2-CG2 4.33Å; I288-L294 HydrophobicContact CB-CD2 4.03Å; I288-L294 HydrophobicContact CD1-CD2 4.03Å; I288-L294 HydrophobicContact CG2-CD2 3.52Å; I288-F297 HydrophobicContact CD1-CD1 3.66Å; I288-F297 HydrophobicContact CD1-CE1 3.69Å; I288-F297 HydrophobicContact CG1-CD1 4.15Å; I288-F297 HydrophobicContact CG1-CE1 3.89Å
289P91.7Very high95.4Very high0 Ų041.3 Ų41.30%021%0.205CC..  trans-65.3152.4179.130.9-37.1000111.4G257 T260 T291 V292G257-P289 VanDerWaalsContact O-CB 3.31Å; G257-P289 WeakPolarHBondContact O-CB 3.39Å; T260-P289 WeakPolarHBondContact OG1-CD 3.27Å; P289-T291 PolarHBondContact O-N 3.33Å; P289-V292 HydrophobicContact CG-CB 4.33Å; P289-V292 HydrophobicContact CG-CG2 3.64Å; P289-V292 PolarHBondContact O-N 2.96Å; P289-V292 VanDerWaalsContact O-N 3.12Å
290P90.1Very high95.4Very high12 Ų1240.4 Ų40.48%0.07820%0.201CC..THydrogen-bonded Turntrans-67.2-10.4-179.427.9-33.4000113E201 Q323 V325 I353E201-P290 WeakPolarHBondContact O-CD 3.39Å; P290-Q323 HydrophobicContact CB-CB 4.42Å; P290-Q323 PolarHBondContact O-NE2 2.88Å; P290-V325 HydrophobicContact CB-CG1 3.78Å; P290-V325 HydrophobicContact CG-CG1 3.59Å; P290-I353 HydrophobicContact CG-CD1 3.68Å; P290-I353 HydrophobicContact CG-CG1 4.2Å; P290-I353 HydrophobicContact CG-CG2 4.28Å
291T89.9Confident95.4Very high103 Ų10338.9 Ų38.963%0.63219%0.194SC*.THydrogen-bonded Turntrans-79.7-14.6175.153.80000113.9P289P289-T291 PolarHBondContact O-N 3.33Å
292V91.9Very high95.4Very high29 Ų2943.7 Ų43.718%0.17621%0.213CC..SBendtrans-86.7130.2179.1165.60000110.4I288 P289 L294 F297 Q323I288-V292 HydrophobicContact CG2-CB 3.71Å; I288-V292 HydrophobicContact CG2-CG1 3.7Å; I288-V292 HydrophobicContact CG2-CG2 4.33Å; P289-V292 HydrophobicContact CG-CB 4.33Å; P289-V292 HydrophobicContact CG-CG2 3.64Å; P289-V292 PolarHBondContact O-N 2.96Å; P289-V292 VanDerWaalsContact O-N 3.12Å; V292-L294 PolarHBondContact O-N 2.73Å; V292-F297 HydrophobicContact CG1-CB 4.13Å; V292-F297 HydrophobicContact CG1-CG 4.46Å; V292-Q323 PolarHBondContact O-NE2 3.08Å
293N94.2Very high95.4Very high92 Ų9248 Ų4849%0.49223%0.233SC..  trans-64.3105.8173.9-175.1-51.1000110.5Q295 E296 F297N293-Q295 PolarHBondContact O-N 3.08Å; N293-Q295 PolarHBondContact OD1-N 3.42Å; N293-Q295 PolarHBondContact OD1-OE1 2.94Å; N293-E296 HydrophobicContact CB-CB 4.1Å; N293-E296 PolarHBondContact O-N 2.85Å; N293-E296 PolarHBondContact OD1-N 2.82Å; N293-F297 PolarHBondContact O-N 3.26Å
294L94.6Very high95.4Very high0 Ų049 Ų490%024%0.236CC..Hα-helixtrans-66.3-37.9-173.1-67.2-178.2000112.1N203 W205 I288 V292 E296 F297 E298 M321 Q323N203-L294 HydrophobicContact CB-CD1 4.43Å; W205-L294 HydrophobicContact CH2-CB 4.26Å; W205-L294 WeakPolarHBondContact CH2-O 3.22Å; W205-L294 HydrophobicContact CZ2-CB 3.91Å; W205-L294 HydrophobicContact CZ2-CD1 4.43Å; W205-L294 HydrophobicContact CZ2-CD2 3.99Å; W205-L294 HydrophobicContact CZ2-CG 4.32Å; I288-L294 HydrophobicContact CB-CD2 4.03Å; I288-L294 HydrophobicContact CD1-CD2 4.03Å; I288-L294 HydrophobicContact CG2-CD2 3.52Å; V292-L294 PolarHBondContact O-N 2.73Å; L294-E296 VanDerWaalsContact C-N 3.33Å; L294-E296 PolarHBondContact O-N 3.2Å; L294-F297 PolarHBondContact O-N 3.15Å; L294-E298 PolarHBondContact O-N 3.05Å; L294-M321 HydrophobicContact CB-CE 3.67Å; L294-M321 HydrophobicContact CB-SD 4.26Å; L294-M321 HydrophobicContact CD1-CE 4.42Å; L294-M321 HydrophobicContact CD1-SD 4.36Å; L294-Q323 HydrophobicContact CD1-CG 3.61Å; L294-Q323 HydrophobicContact CG-CG 3.96Å
295Q95.1Very high95.4Very high98 Ų9849.1 Ų49.146%0.45824%0.236SC..Hα-helixtrans-65.5-38178.3-62.3840.100111.8N293 K299 M321N293-Q295 PolarHBondContact O-N 3.08Å; N293-Q295 PolarHBondContact OD1-N 3.42Å; N293-Q295 PolarHBondContact OD1-OE1 2.94Å; Q295-K299 WeakPolarHBondContact O-CG 3.2Å; Q295-K299 PolarHBondContact O-N 2.99Å; Q295-K299 VanDerWaalsContact O-N 3.16Å; Q295-M321 HydrophobicContact CG-CE 4.23Å
296E96.6Very high95.5Very high103 Ų10353.5 Ų53.548%0.48125%0.254SS..Hα-helixtrans-72.2-37.6177.2-165.956-148.200111.8N293 L294 E298 K299 Q300N293-E296 HydrophobicContact CB-CB 4.1Å; N293-E296 PolarHBondContact O-N 2.85Å; N293-E296 PolarHBondContact OD1-N 2.82Å; L294-E296 VanDerWaalsContact C-N 3.33Å; L294-E296 PolarHBondContact O-N 3.2Å; E296-E298 PolarHBondContact O-N 2.97Å; E296-K299 WeakPolarHBondContact O-CB 3.48Å; E296-K299 PolarHBondContact O-N 3.12Å; E296-K299 WeakPolarHBondContact OE2-CD 3.48Å; E296-K299 IonicContact OE2-NZ 3Å; E296-K299 PolarHBondContact OE2-NZ 2.75Å; E296-Q300 PolarHBondContact O-N 3.21Å
297F97.3Very high95.7Very high9 Ų957.6 Ų57.64%0.03928%0.276CS..Hα-helixtrans-64.8-39.2175.2-170.8-124.5000112.5W205 F240 T260 L286 I288 V292 N293 L294 K299 Q300 I301 W304W205-F297 HydrophobicContact CE3-CD1 4.35Å; W205-F297 HydrophobicContact CZ3-CD1 4Å; F240-F297 HydrophobicContact CD1-CE2 4.17Å; F240-F297 HydrophobicContact CD1-CZ 4.27Å; F240-F297 HydrophobicContact CD2-CE2 4.42Å; F240-F297 AromaticContact CE1-CE2 3.55Å; F240-F297 HydrophobicContact CE1-CE2 3.55Å; F240-F297 AromaticContact CE1-CZ 3.66Å; F240-F297 HydrophobicContact CE1-CZ 3.66Å; F240-F297 AromaticContact CE2-CE2 3.85Å; F240-F297 HydrophobicContact CE2-CE2 3.85Å; F240-F297 HydrophobicContact CZ-CD2 4.18Å; F240-F297 AromaticContact CZ-CE2 3.37Å; F240-F297 HydrophobicContact CZ-CE2 3.37Å; F240-F297 AromaticContact CZ-CZ 3.93Å; F240-F297 HydrophobicContact CZ-CZ 3.93Å; T260-F297 HydrophobicContact CG2-CE1 4.3Å; T260-F297 HydrophobicContact CG2-CZ 4.17Å; L286-F297 HydrophobicContact CD2-CE1 3.53Å; L286-F297 HydrophobicContact CD2-CZ 3.66Å; I288-F297 HydrophobicContact CD1-CD1 3.66Å; I288-F297 HydrophobicContact CD1-CE1 3.69Å; I288-F297 HydrophobicContact CG1-CD1 4.15Å; I288-F297 HydrophobicContact CG1-CE1 3.89Å; V292-F297 HydrophobicContact CG1-CB 4.13Å; V292-F297 HydrophobicContact CG1-CG 4.46Å; N293-F297 PolarHBondContact O-N 3.26Å; L294-F297 PolarHBondContact O-N 3.15Å; F297-K299 PolarHBondContact O-N 3.06Å; F297-Q300 WeakPolarHBondContact O-CB 3.47Å; F297-Q300 PolarHBondContact O-N 3.12Å; F297-I301 HydrophobicContact CD1-CD1 4.16Å; F297-I301 HydrophobicContact CE1-CD1 3.92Å; F297-I301 HydrophobicContact CZ-CD1 4.26Å; F297-I301 PolarHBondContact O-N 3.17Å; F297-W304 HydrophobicContact CE2-CH2 4.14Å
298E97.4Very high95.9Very high46 Ų4655.4 Ų55.422%0.21527%0.269CS..Hα-helixtrans-63.8-39.7172.5-177.8171.5-158.300112.5W205 L294 E296 Q300 I301 K302 K319W205-E298 HydrophobicContact CH2-CB 3.78Å; W205-E298 HydrophobicContact CZ3-CB 3.88Å; L294-E298 PolarHBondContact O-N 3.05Å; E296-E298 PolarHBondContact O-N 2.97Å; E298-Q300 VanDerWaalsContact C-N 3.27Å; E298-Q300 PolarHBondContact O-N 3.42Å; E298-I301 PolarHBondContact O-N 2.78Å; E298-K302 WeakPolarHBondContact O-CB 3.29Å; E298-K302 PolarHBondContact O-N 2.99Å; E298-K319 IonicContact OE1-NZ 3.55Å; E298-K319 PolarHBondContact OE1-NZ 3.14Å; E298-K319 IonicContact OE2-NZ 3.72Å; E298-K319 PolarHBondContact OE2-NZ 3.25Å
299K98Very high96.1Very high122 Ų12256.1 Ų56.153%0.5328%0.277SS..Hα-helixtrans-62-38.1173.7-71.3173.7-161.8161.90111.6Q295 E296 F297 K302 Q303Q295-K299 WeakPolarHBondContact O-CG 3.2Å; Q295-K299 PolarHBondContact O-N 2.99Å; Q295-K299 VanDerWaalsContact O-N 3.16Å; E296-K299 WeakPolarHBondContact O-CB 3.48Å; E296-K299 PolarHBondContact O-N 3.12Å; E296-K299 WeakPolarHBondContact OE2-CD 3.48Å; E296-K299 IonicContact OE2-NZ 3Å; E296-K299 PolarHBondContact OE2-NZ 2.75Å; F297-K299 PolarHBondContact O-N 3.06Å; K299-K302 WeakPolarHBondContact O-CB 3.41Å; K299-K302 PolarHBondContact O-N 3.12Å; K299-Q303 PolarHBondContact O-N 2.9Å
300Q98.2Very high96.3Very high74 Ų7463.5 Ų63.535%0.34632%0.316SS..Hα-helixtrans-61.9-46.8175.2-174.8178.644.300111.3E296 F297 E298 K302 Q303 W304E296-Q300 PolarHBondContact O-N 3.21Å; F297-Q300 WeakPolarHBondContact O-CB 3.47Å; F297-Q300 PolarHBondContact O-N 3.12Å; E298-Q300 VanDerWaalsContact C-N 3.27Å; E298-Q300 PolarHBondContact O-N 3.42Å; Q300-K302 VanDerWaalsContact C-N 3.32Å; Q300-K302 PolarHBondContact O-N 3.23Å; Q300-Q303 WeakPolarHBondContact O-CB 3.42Å; Q300-Q303 PolarHBondContact O-N 2.83Å; Q300-Q303 VanDerWaalsContact O-N 3.14Å; Q300-W304 HydrophobicContact CG-CD2 4.25Å; Q300-W304 HydrophobicContact CG-CH2 4.03Å; Q300-W304 HydrophobicContact CG-CZ2 3.45Å; Q300-W304 VanDerWaalsContact CG-CZ2 3.45Å; Q300-W304 PolarHBondContact O-N 2.82Å
301I98.2Very high96.6Very high0 Ų066 Ų660%033%0.329CS..Hα-helixtrans-58.4-45174.1-72165.9000111.2W205 I207 F237 L286 F297 E298 Q303 W304 C305 Y314W205-I301 HydrophobicContact CE3-CD1 4.13Å; W205-I301 HydrophobicContact CZ3-CD1 4.07Å; I207-I301 HydrophobicContact CD1-CG2 3.58Å; F237-I301 HydrophobicContact CE1-CG1 4.37Å; F237-I301 HydrophobicContact CZ-CG1 4.1Å; F237-I301 HydrophobicContact CZ-CG2 3.92Å; L286-I301 HydrophobicContact CD2-CD1 4.21Å; F297-I301 HydrophobicContact CD1-CD1 4.16Å; F297-I301 HydrophobicContact CE1-CD1 3.92Å; F297-I301 HydrophobicContact CZ-CD1 4.26Å; F297-I301 PolarHBondContact O-N 3.17Å; E298-I301 PolarHBondContact O-N 2.78Å; I301-Q303 VanDerWaalsContact C-N 3.27Å; I301-Q303 PolarHBondContact O-N 2.82Å; I301-W304 HydrophobicContact CB-CE3 4.45Å; I301-W304 HydrophobicContact CG1-CE3 3.99Å; I301-W304 HydrophobicContact CG1-CZ3 3.86Å; I301-W304 PolarHBondContact O-N 2.6Å; I301-C305 PolarHBondContact O-N 3.11Å; I301-C305 PolarHBondContact O-SG 2.79Å; I301-Y314 HydrophobicContact CG2-CD1 4.46Å; I301-Y314 HydrophobicContact CG2-CE1 4.47Å
302K98.1Very high97Very high132 Ų13261.7 Ų61.757%0.57430%0.302SS*.Hα-helixtrans-60.2-39.1176.9-176.7174.8-178.6174.40111.8E298 K299 Q300 C305 K306 Y314E298-K302 WeakPolarHBondContact O-CB 3.29Å; E298-K302 PolarHBondContact O-N 2.99Å; K299-K302 WeakPolarHBondContact O-CB 3.41Å; K299-K302 PolarHBondContact O-N 3.12Å; Q300-K302 VanDerWaalsContact C-N 3.32Å; Q300-K302 PolarHBondContact O-N 3.23Å; K302-C305 PolarHBondContact O-N 3.22Å; K302-K306 WeakPolarHBondContact O-CB 3.44Å; K302-K306 PolarHBondContact O-N 3.41Å; K302-Y314 HydrophobicContact CB-CE1 4.04Å; K302-Y314 HydrophobicContact CG-CE1 4.29Å
303Q98.4Very high97.3Very high91 Ų9163.7 Ų63.743%0.42532%0.315SS..Hα-helixtrans-66.8-44.1175.9-170.759.850.700111.5K299 Q300 I301 C305 K306 D307K299-Q303 PolarHBondContact O-N 2.9Å; Q300-Q303 WeakPolarHBondContact O-CB 3.42Å; Q300-Q303 PolarHBondContact O-N 2.83Å; Q300-Q303 VanDerWaalsContact O-N 3.14Å; I301-Q303 VanDerWaalsContact C-N 3.27Å; I301-Q303 PolarHBondContact O-N 2.82Å; Q303-C305 VanDerWaalsContact C-N 3.3Å; Q303-C305 PolarHBondContact O-N 3.05Å; Q303-K306 PolarHBondContact O-N 3.41Å; Q303-K306 VanDerWaalsContact O-N 3.16Å; Q303-D307 PolarHBondContact NE2-OD1 2.76Å; Q303-D307 PolarHBondContact O-N 3.33Å
304W98.5Very high97.5Very high32 Ų3262.2 Ų62.212%0.12130%0.303CS..Hα-helixtrans-58.3-41.3175.2-63.5-26.6000112.8F237 F240 F297 Q300 I301 A308F237-W304 HydrophobicContact CD1-CZ3 4.37Å; F237-W304 AromaticContact CD2-CE3 3.92Å; F237-W304 HydrophobicContact CD2-CE3 3.92Å; F237-W304 HydrophobicContact CD2-CZ3 4.37Å; F237-W304 HydrophobicContact CE1-CZ3 4.42Å; F237-W304 AromaticContact CE2-CE3 3.84Å; F237-W304 HydrophobicContact CE2-CE3 3.84Å; F237-W304 HydrophobicContact CE2-CZ3 4.43Å; F237-W304 HydrophobicContact CG-CE3 4.36Å; F237-W304 HydrophobicContact CG-CZ3 4.36Å; F237-W304 HydrophobicContact CZ-CE3 4.19Å; F237-W304 HydrophobicContact CZ-CZ3 4.46Å; F240-W304 HydrophobicContact CB-CH2 3.57Å; F240-W304 HydrophobicContact CB-CZ2 3.89Å; F240-W304 HydrophobicContact CB-CZ3 4.5Å; F240-W304 HydrophobicContact CD1-CH2 4.21Å; F240-W304 AromaticContact CD2-CH2 3.84Å; F240-W304 HydrophobicContact CD2-CH2 3.84Å; F240-W304 HydrophobicContact CD2-CZ2 4.07Å; F240-W304 AromaticContact CG-CH2 3.6Å; F240-W304 HydrophobicContact CG-CH2 3.6Å; F240-W304 HydrophobicContact CG-CZ2 4.14Å; F297-W304 HydrophobicContact CE2-CH2 4.14Å; Q300-W304 HydrophobicContact CG-CD2 4.25Å; Q300-W304 HydrophobicContact CG-CH2 4.03Å; Q300-W304 HydrophobicContact CG-CZ2 3.45Å; Q300-W304 VanDerWaalsContact CG-CZ2 3.45Å; Q300-W304 PolarHBondContact O-N 2.82Å; I301-W304 HydrophobicContact CB-CE3 4.45Å; I301-W304 HydrophobicContact CG1-CE3 3.99Å; I301-W304 HydrophobicContact CG1-CZ3 3.86Å; I301-W304 PolarHBondContact O-N 2.6Å; W304-A308 PolarHBondContact O-N 2.65Å
305C98.3Very high97.6Very high3 Ų366.2 Ų66.22%0.0232%0.321CS..Hα-helixtrans-64.5-46.8175.5-62.90000110.9I301 K302 Q303 D307 A308 G309 V312 Y314I301-C305 PolarHBondContact O-N 3.11Å; I301-C305 PolarHBondContact O-SG 2.79Å; K302-C305 PolarHBondContact O-N 3.22Å; Q303-C305 VanDerWaalsContact C-N 3.3Å; Q303-C305 PolarHBondContact O-N 3.05Å; C305-D307 VanDerWaalsContact C-N 3.33Å; C305-D307 PolarHBondContact O-N 3.15Å; C305-A308 WeakPolarHBondContact O-CB 3.31Å; C305-A308 PolarHBondContact O-N 3.46Å; C305-A308 VanDerWaalsContact O-N 3.11Å; C305-G309 PolarHBondContact O-N 2.93Å; C305-G309 VanDerWaalsContact O-N 3.16Å; C305-V312 HydrophobicContact CB-CB 4.46Å; C305-V312 HydrophobicContact CB-CG1 3.89Å; C305-V312 WeakPolarHBondContact O-CB 3.46Å; C305-Y314 HydrophobicContact CB-CD1 4.34Å
306K98Very high97.6Very high123 Ų12363.8 Ų63.854%0.53531%0.31SS..Hα-helixtrans-60.9-40.6178.3-175.7177.8178.9-176.40112.6K302 Q303 A308 G309K302-K306 WeakPolarHBondContact O-CB 3.44Å; K302-K306 PolarHBondContact O-N 3.41Å; Q303-K306 PolarHBondContact O-N 3.41Å; Q303-K306 VanDerWaalsContact O-N 3.16Å; K306-A308 PolarHBondContact O-N 2.9Å; K306-G309 CarbonylContact O-C 3.51Å; K306-G309 PolarHBondContact O-N 2.63Å; K306-G309 VanDerWaalsContact O-N 3.16Å
307D98.1Very high97.3Very high86 Ų8662.8 Ų62.846%0.4632%0.318SS..Hα-helixtrans-64-30.7178-67.6-20.9000111.5Q232 Q303 C305Q232-D307 PolarHBondContact NE2-O 3.23Å; Q232-D307 PolarHBondContact OE1-O 2.74Å; Q303-D307 PolarHBondContact NE2-OD1 2.76Å; Q303-D307 PolarHBondContact O-N 3.33Å; C305-D307 VanDerWaalsContact C-N 3.33Å; C305-D307 PolarHBondContact O-N 3.15Å
308A97.9Very high96.7Very high9 Ų963.8 Ų63.87%0.07432%0.323CS..Hα-helixtrans-75.2-28.2175.100000113.2K229 Q232 V233 W304 C305 K306 V312K229-A308 HydrophobicContact CB-CB 4.37Å; K229-A308 VanDerWaalsContact CG-O 3.23Å; K229-A308 WeakPolarHBondContact CG-O 3.45Å; Q232-A308 HydrophobicContact CB-CB 4.01Å; Q232-A308 HydrophobicContact CG-CB 4.1Å; V233-A308 HydrophobicContact CG2-CB 3.68Å; W304-A308 PolarHBondContact O-N 2.65Å; C305-A308 WeakPolarHBondContact O-CB 3.31Å; C305-A308 PolarHBondContact O-N 3.46Å; C305-A308 VanDerWaalsContact O-N 3.11Å; K306-A308 PolarHBondContact O-N 2.9Å; A308-V312 HydrophobicContact CB-CG2 4.11Å
309G97.4Very high96.3Very high15 Ų1565 Ų6516%0.15533%0.328CS..  trans165.1150.3172.700000112.7C305 K306 D311 V312C305-G309 PolarHBondContact O-N 2.93Å; C305-G309 VanDerWaalsContact O-N 3.16Å; K306-G309 CarbonylContact O-C 3.51Å; K306-G309 PolarHBondContact O-N 2.63Å; K306-G309 VanDerWaalsContact O-N 3.16Å; G309-D311 PolarHBondContact O-N 3.48Å; G309-V312 WeakPolarHBondContact O-CB 3.4Å; G309-V312 PolarHBondContact O-N 2.71Å; G309-V312 VanDerWaalsContact O-N 3.1Å
310D95.4Very high95.6Very high154 Ų15460.4 Ų60.482%0.82431%0.308SS*.THydrogen-bonded Turntrans-64.6-20.9-177.7-72.7-38.4000113.9
311D97.3Very high95.1Very high65 Ų6560.2 Ų60.235%0.34831%0.308SS..THydrogen-bonded Turntrans-99.70.4178.661-16.4000113.4P212 K229 G309 T313P212-D311 WeakPolarHBondContact CD-O 3.19Å; K229-D311 IonicContact NZ-OD1 2.68Å; K229-D311 PolarHBondContact NZ-OD1 2.71Å; K229-D311 IonicContact NZ-OD2 2.84Å; K229-D311 PolarHBondContact NZ-OD2 2.99Å; G309-D311 PolarHBondContact O-N 3.48Å; D311-T313 PolarHBondContact O-N 3.05Å
312V98.6Very high94.4Very high13 Ų1362.3 Ų62.38%0.07932%0.32CS..  trans-74126.3173.2-179.60000108.7V209 R210 K229 V233 C305 A308 G309V209-V312 HydrophobicContact CG1-CG1 3.55Å; R210-V312 WeakPolarHBondContact O-CA 2.93Å; K229-V312 HydrophobicContact CB-CG2 4.06Å; K229-V312 HydrophobicContact CD-CG2 3.68Å; K229-V312 HydrophobicContact CG-CG2 4.4Å; V233-V312 HydrophobicContact CG2-CG1 4.18Å; C305-V312 HydrophobicContact CB-CB 4.46Å; C305-V312 HydrophobicContact CB-CG1 3.89Å; C305-V312 WeakPolarHBondContact O-CB 3.46Å; A308-V312 HydrophobicContact CB-CG2 4.11Å; G309-V312 WeakPolarHBondContact O-CB 3.4Å; G309-V312 PolarHBondContact O-N 2.71Å; G309-V312 VanDerWaalsContact O-N 3.1Å
313T98.3Very high93.9Very high71 Ų7158.7 Ų58.744%0.43631%0.305SS..EExtended strand (participates in β ladder)trans-125.6163.8-178.861.70000110.5V209 R210 D311V209-T313 CarbonylContact C-O 3.43Å; V209-T313 WeakPolarHBondContact CA-O 3.39Å; V209-T313 WeakPolarHBondContact CG1-O 3.38Å; R210-T313 PolarHBondContact N-O 3.49Å; R210-T313 PolarHBondContact O-N 3.17Å; R210-T313 VanDerWaalsContact O-N 3.13Å; D311-T313 PolarHBondContact O-N 3.05Å
314Y98.1Very high93.6Very high60 Ų6058.2 Ų58.224%0.23531%0.305CS..EExtended strand (participates in β ladder)trans-140.6153.7174.167.3-90.7000110.8I207 T208 I301 K302 C305 F316I207-Y314 HydrophobicContact CD1-CD2 3.63Å; I207-Y314 HydrophobicContact CD1-CE2 4.45Å; I207-Y314 HydrophobicContact CD1-CG 3.87Å; I207-Y314 HydrophobicContact CG1-CD2 4.12Å; I207-Y314 HydrophobicContact CG1-CG 4.41Å; T208-Y314 CarbonylContact O-C 3.59Å; T208-Y314 VanDerWaalsContact O-CA 3.23Å; T208-Y314 WeakPolarHBondContact O-CA 3.28Å; I301-Y314 HydrophobicContact CG2-CD1 4.46Å; I301-Y314 HydrophobicContact CG2-CE1 4.47Å; K302-Y314 HydrophobicContact CB-CE1 4.04Å; K302-Y314 HydrophobicContact CG-CE1 4.29Å; C305-Y314 HydrophobicContact CB-CD1 4.34Å; Y314-F316 HydrophobicContact CD2-CD2 4.46Å; Y314-F316 HydrophobicContact CD2-CE2 4.05Å; Y314-F316 HydrophobicContact CD2-CZ 4.34Å; Y314-F316 HydrophobicContact CE2-CD2 4.27Å; Y314-F316 AromaticContact CE2-CE2 3.57Å; Y314-F316 HydrophobicContact CE2-CE2 3.57Å; Y314-F316 HydrophobicContact CE2-CZ 4.01Å
315E97.2Very high93.4Very high84 Ų8459.9 Ų59.939%0.39332%0.319SS..EExtended strand (participates in β ladder)trans-133.9152.1172.368.5-176.5-172.500110I207 T208 R210I207-E315 WeakPolarHBondContact CA-O 3.23Å; T208-E315 PolarHBondContact N-O 3.48Å; T208-E315 PolarHBondContact O-N 3.28Å; R210-E315 VanDerWaalsContact CZ-CD 3.48Å; R210-E315 IonicContact CZ-OE1 3.99Å; R210-E315 IonicContact CZ-OE2 3.77Å; R210-E315 VanDerWaalsContact CZ-OE2 3.28Å; R210-E315 IonicContact NH1-OE1 3.79Å; R210-E315 IonicContact NH1-OE2 3.86Å; R210-E315 PolarHBondContact NH1-OE2 2.96Å; R210-E315 IonicContact NH2-OE1 2.86Å; R210-E315 PolarHBondContact NH2-OE1 3.13Å; R210-E315 IonicContact NH2-OE2 3.87Å; R210-E315 PolarHBondContact NH2-OE2 2.91Å
316F95.5Very high93.4Very high48 Ų4860 Ų6021%0.21132%0.319CS..EExtended strand (participates in β ladder)trans-99.4124.4172.1-66.9-77.2000109.8W205 W206 I207 Y314 Q318 K319W205-F316 HydrophobicContact CB-CD1 4.3Å; W205-F316 HydrophobicContact CB-CE1 4.07Å; W205-F316 AromaticContact CD2-CE1 3.89Å; W205-F316 HydrophobicContact CD2-CE1 3.89Å; W205-F316 HydrophobicContact CD2-CZ 4.25Å; W205-F316 AromaticContact CE3-CE1 3.53Å; W205-F316 HydrophobicContact CE3-CE1 3.53Å; W205-F316 AromaticContact CE3-CZ 3.65Å; W205-F316 HydrophobicContact CE3-CZ 3.65Å; W205-F316 HydrophobicContact CG-CE1 4.15Å; W205-F316 HydrophobicContact CZ3-CE1 4.29Å; W205-F316 AromaticContact CZ3-CZ 3.94Å; W205-F316 HydrophobicContact CZ3-CZ 3.94Å; W206-F316 CarbonylContact O-C 3.49Å; W206-F316 VanDerWaalsContact O-CA 3.29Å; W206-F316 WeakPolarHBondContact O-CA 3.3Å; I207-F316 HydrophobicContact CB-CD1 3.97Å; I207-F316 HydrophobicContact CB-CE1 3.96Å; I207-F316 HydrophobicContact CD1-CE1 3.99Å; I207-F316 HydrophobicContact CD1-CZ 4.22Å; I207-F316 HydrophobicContact CG1-CD1 4.27Å; I207-F316 HydrophobicContact CG1-CE1 4.12Å; Y314-F316 HydrophobicContact CD2-CD2 4.46Å; Y314-F316 HydrophobicContact CD2-CE2 4.05Å; Y314-F316 HydrophobicContact CD2-CZ 4.34Å; Y314-F316 HydrophobicContact CE2-CD2 4.27Å; Y314-F316 AromaticContact CE2-CE2 3.57Å; Y314-F316 HydrophobicContact CE2-CE2 3.57Å; Y314-F316 HydrophobicContact CE2-CZ 4.01Å; F316-Q318 VanDerWaalsContact C-N 3.34Å; F316-K319 HydrophobicContact CB-CB 3.84Å; F316-K319 HydrophobicContact CD1-CB 4.23Å; F316-K319 HydrophobicContact CD1-CG 4.31Å; F316-K319 HydrophobicContact CD2-CB 4.36Å; F316-K319 HydrophobicContact CD2-CD 3.59Å; F316-K319 HydrophobicContact CD2-CG 4.24Å; F316-K319 HydrophobicContact CE2-CD 3.73Å; F316-K319 HydrophobicContact CE2-CG 4.44Å; F316-K319 HydrophobicContact CG-CB 3.91Å; F316-K319 HydrophobicContact CG-CD 3.99Å; F316-K319 HydrophobicContact CG-CG 4.14Å; F316-K319 HydrophobicContact CZ-CD 4.29Å
317A88.7Confident93.3Very high81 Ų8156.5 Ų56.567%0.66931%0.31SS*.EExtended strand (participates in β ladder)trans-74.2-32.1165.100000111W206W206-A317 HydrophobicContact CB-CB 4.22Å; W206-A317 PolarHBondContact O-N 2.94Å
318Q84.4Confident93.2Very high30 Ų3053.7 Ų53.714%0.1430%0.296CS..EExtended strand (participates in β ladder)trans-146.8136.6174.3179.3169.4-21.300109P204 W205 W206 F316 H320P204-Q318 VanDerWaalsContact CG-NE2 3.26Å; W205-Q318 WeakPolarHBondContact CA-O 3.35Å; W206-Q318 HydrophobicContact CB-CB 4.22Å; W206-Q318 HydrophobicContact CD2-CB 3.92Å; W206-Q318 HydrophobicContact CE3-CB 3.67Å; W206-Q318 HydrophobicContact CG-CB 4.18Å; W206-Q318 HydrophobicContact CZ3-CB 4.33Å; W206-Q318 PolarHBondContact N-O 2.81Å; F316-Q318 VanDerWaalsContact C-N 3.34Å; Q318-H320 PolarHBondContact NE2-CD2 3.18Å; Q318-H320 PolarHBondContact NE2-NE2 3.1Å
319K89.5Confident93Very high72 Ų7255.1 Ų55.131%0.31331%0.308SS..EExtended strand (participates in β ladder)trans-151112.9179.6-171.1-169.6-171.4-1730110.9W205 E298 F316 M321W205-K319 HydrophobicContact CD2-CG 4.12Å; W205-K319 HydrophobicContact CG-CG 4.22Å; W205-K319 HydrophobicContact CZ2-CG 4.26Å; E298-K319 IonicContact OE1-NZ 3.55Å; E298-K319 PolarHBondContact OE1-NZ 3.14Å; E298-K319 IonicContact OE2-NZ 3.72Å; E298-K319 PolarHBondContact OE2-NZ 3.25Å; F316-K319 HydrophobicContact CB-CB 3.84Å; F316-K319 HydrophobicContact CD1-CB 4.23Å; F316-K319 HydrophobicContact CD1-CG 4.31Å; F316-K319 HydrophobicContact CD2-CB 4.36Å; F316-K319 HydrophobicContact CD2-CD 3.59Å; F316-K319 HydrophobicContact CD2-CG 4.24Å; F316-K319 HydrophobicContact CE2-CD 3.73Å; F316-K319 HydrophobicContact CE2-CG 4.44Å; F316-K319 HydrophobicContact CG-CB 3.91Å; F316-K319 HydrophobicContact CG-CD 3.99Å; F316-K319 HydrophobicContact CG-CG 4.14Å; F316-K319 HydrophobicContact CZ-CD 4.29Å; K319-M321 HydrophobicContact CD-SD 4.24Å; K319-M321 WeakPolarHBondContact CE-SD 3.3Å; K319-M321 HydrophobicContact CG-SD 4.26Å
320H84.3Confident92.8Very high25 Ų2559.3 Ų59.312%0.11632%0.324CS..  trans-102.9132.9173.3-66.2-99000110.7H163 N203 W205 Q318H163-H320 AromaticContact CE1-CE1 3.9Å; N203-H320 HydrophobicContact CB-CB 4.36Å; N203-H320 WeakPolarHBondContact OD1-CB 3.38Å; N203-H320 PolarHBondContact OD1-O 3.32Å; W205-H320 PolarHBondContact NE1-O 2.98Å; Q318-H320 PolarHBondContact NE2-CD2 3.18Å; Q318-H320 PolarHBondContact NE2-NE2 3.1Å
321M87Confident92.7Very high71 Ų7158.8 Ų58.835%0.3532%0.321SS..  trans-1113-177.1-67.1-60.3-61.800113.4W205 L294 Q295 K319W205-M321 HydrophobicContact CH2-SD 4.28Å; W205-M321 HydrophobicContact CZ2-CE 4.38Å; W205-M321 HydrophobicContact CZ2-SD 3.44Å; W205-M321 WeakPolarHBondContact CZ2-SD 3.42Å; L294-M321 HydrophobicContact CB-CE 3.67Å; L294-M321 HydrophobicContact CB-SD 4.26Å; L294-M321 HydrophobicContact CD1-CE 4.42Å; L294-M321 HydrophobicContact CD1-SD 4.36Å; Q295-M321 HydrophobicContact CG-CE 4.23Å; K319-M321 HydrophobicContact CD-SD 4.24Å; K319-M321 WeakPolarHBondContact CE-SD 3.3Å; K319-M321 HydrophobicContact CG-SD 4.26Å
322N83.9Confident92.7Very high44 Ų4457.2 Ų57.224%0.23531%0.313CS..  trans-82128.8-175.2-174.75.5000110.7N203 N324 R361 A365N203-N322 PolarHBondContact ND2-O 3.26Å; N203-N322 PolarHBondContact OD1-O 2.81Å; N322-N324 VanDerWaalsContact OD1-CB 3.25Å; N322-N324 WeakPolarHBondContact OD1-CB 3.42Å; N322-N324 VanDerWaalsContact OD1-CG 3.27Å; N322-N324 PolarHBondContact OD1-N 3.05Å; N322-R361 PolarHBondContact ND2-O 3.31Å; N322-A365 WeakPolarHBondContact ND2-CA 3.48Å; N322-A365 WeakPolarHBondContact ND2-CB 3.43Å; N322-A365 PolarHBondContact ND2-N 3.03Å
323Q87.3Confident92.6Very high56 Ų5659.9 Ų59.926%0.26233%0.33SS..  trans-117.49.8178.1-59.4-171.3-113.100112.7P290 V292 L294 V325P290-Q323 HydrophobicContact CB-CB 4.42Å; P290-Q323 PolarHBondContact O-NE2 2.88Å; V292-Q323 PolarHBondContact O-NE2 3.08Å; L294-Q323 HydrophobicContact CD1-CG 3.61Å; L294-Q323 HydrophobicContact CG-CG 3.96Å; Q323-V325 PolarHBondContact O-N 3.06Å
324N92.4Very high92.6Very high80 Ų8057.4 Ų57.443%0.42831%0.313SS..  trans-66129.3-179.9-68.2-10.6000110.1N322 R364N322-N324 VanDerWaalsContact OD1-CB 3.25Å; N322-N324 WeakPolarHBondContact OD1-CB 3.42Å; N322-N324 VanDerWaalsContact OD1-CG 3.27Å; N322-N324 PolarHBondContact OD1-N 3.05Å; N324-R364 HydrophobicContact CB-CB 4.05Å; N324-R364 PolarHBondContact ND2-O 2.67Å; N324-R364 WeakPolarHBondContact O-CD 3.33Å; N324-R364 PolarHBondContact O-NE 3.25Å
325V94.8Very high92.6Very high68 Ų6854.9 Ų54.941%0.41230%0.303SS..  trans-121.8150.8173.8-62.10000109Y199 P290 Q323 I353Y199-V325 HydrophobicContact CD2-CB 4.03Å; Y199-V325 HydrophobicContact CE2-CB 4.35Å; Y199-V325 CarbonylContact O-C 3.51Å; Y199-V325 WeakPolarHBondContact O-CA 3.43Å; P290-V325 HydrophobicContact CB-CG1 3.78Å; P290-V325 HydrophobicContact CG-CG1 3.59Å; Q323-V325 PolarHBondContact O-N 3.06Å; V325-I353 HydrophobicContact CG1-CD1 4.37Å
326T96.6Very high92.6Very high4 Ų452.8 Ų52.83%0.02530%0.297CS..  trans-77.8135.5171.1-63.10000109.3F182 Y199 T328 R364 P369 A370 I371F182-T326 HydrophobicContact CE2-CG2 4.48Å; Y199-T326 WeakPolarHBondContact CD2-O 3.38Å; Y199-T326 PolarHBondContact O-N 3.19Å; T326-T328 PolarHBondContact O-N 3.39Å; T326-R364 WeakPolarHBondContact OG1-CD 3.41Å; T326-P369 HydrophobicContact CG2-CB 3.65Å; T326-A370 WeakPolarHBondContact CB-O 3.49Å; T326-A370 PolarHBondContact OG1-N 3.47Å; T326-A370 PolarHBondContact OG1-O 2.98Å; T326-I371 HydrophobicContact CG2-CD1 4.18Å; T326-I371 HydrophobicContact CG2-CG1 3.81Å
327S96.1Very high92.8Very high51 Ų5151.4 Ų51.436%0.35730%0.295SS..  trans-62.5133.6174-1760000110.4A329S327-A329 PolarHBondContact OG-N 2.82Å
328T95.9Very high93.2Very high26 Ų2647.6 Ų47.616%0.1626%0.263CS..  trans-115.325.617066.80000111.2Y199 T326 W335 K351Y199-T328 VanDerWaalsContact CB-CG2 3.45Å; Y199-T328 HydrophobicContact CD1-CG2 4.09Å; Y199-T328 HydrophobicContact CD2-CG2 4.15Å; Y199-T328 HydrophobicContact CG-CG2 3.64Å; T326-T328 PolarHBondContact O-N 3.39Å; T328-W335 VanDerWaalsContact C-CD1 3.44Å; T328-W335 HydrophobicContact CG2-CD2 4.18Å; T328-W335 HydrophobicContact CG2-CE3 3.78Å; T328-W335 HydrophobicContact CG2-CH2 4.25Å; T328-W335 HydrophobicContact CG2-CZ3 3.8Å; T328-W335 PolarHBondContact O-NE1 3.02Å; T328-K351 HydrophobicContact CG2-CD 4.12Å
329A95.4Very high93.9Very high39 Ų3946.2 Ų46.232%0.32226%0.257SS..  trans-79.2144.4176.800000109.8S327 D331 D332S327-A329 PolarHBondContact OG-N 2.82Å; A329-D331 WeakPolarHBondContact CB-OD1 3.43Å; A329-D331 PolarHBondContact O-N 3Å; A329-D331 VanDerWaalsContact O-N 3.17Å; A329-D332 WeakPolarHBondContact O-CB 3.49Å; A329-D332 PolarHBondContact O-N 2.83Å
330E92.6Very high94.3Very high104 Ų10446.3 Ų46.349%0.48626%0.264SS..THydrogen-bonded Turntrans-67.3-16.4-174.7-62.6-71.6136.300113.4W335 S336 K343E330-W335 PolarHBondContact OE1-NE1 3.16Å; E330-S336 WeakPolarHBondContact O-CB 3.38Å; E330-S336 PolarHBondContact O-OG 2.91Å; E330-K343 IonicContact OE1-NZ 3.97Å; E330-K343 IonicContact OE2-NZ 3.33Å; E330-K343 PolarHBondContact OE2-NZ 2.74Å
331D93.7Very high95Very high143 Ų14345.5 Ų45.577%0.76526%0.261SS*.THydrogen-bonded Turntrans-88.4-9.8173.563.7-24.5000113.6A329A329-D331 WeakPolarHBondContact CB-OD1 3.43Å; A329-D331 PolarHBondContact O-N 3Å; A329-D331 VanDerWaalsContact O-N 3.17Å
332D96.3Very high95.5Very high32 Ų3242.1 Ų42.117%0.17125%0.245CC..SBendtrans-71.1123.6167.8179.5-78.5000109.4A329 W334 W335 S336A329-D332 WeakPolarHBondContact O-CB 3.49Å; A329-D332 PolarHBondContact O-N 2.83Å; D332-W334 VanDerWaalsContact C-N 3.33Å; D332-W334 PolarHBondContact O-N 3.08Å; D332-W334 WeakPolarHBondContact OD1-CA 3.45Å; D332-W334 WeakPolarHBondContact OD1-CB 3.4Å; D332-W334 PolarHBondContact OD1-N 3.08Å; D332-W335 HydrophobicContact CB-CB 4.02Å; D332-W335 PolarHBondContact O-N 3.26Å; D332-W335 PolarHBondContact OD1-N 3.4Å; D332-S336 WeakPolarHBondContact O-CB 3.43Å; D332-S336 PolarHBondContact O-N 2.86Å
333P96.9Very high96.1Very high68 Ų6845 Ų4544%0.44226%0.255SS..Hα-helixtrans-67.8-31.3-171.226.6-35.3000113.3A337 V412P333-A337 WeakPolarHBondContact O-CB 3.12Å; P333-A337 PolarHBondContact O-N 2.88Å; P333-A337 VanDerWaalsContact O-N 3.15Å; P333-V412 HydrophobicContact CB-CG1 3.91Å
334W97.8Very high96.6Very high20 Ų2045.1 Ų45.18%0.07626%0.262CS..Hα-helixtrans-75.5-46.2178.5-64.1110.7000111.1V86 F182 D332 S336 A337 F338 L409 V412V86-W334 HydrophobicContact CG2-CH2 4.11Å; V86-W334 HydrophobicContact CG2-CZ3 3.75Å; F182-W334 HydrophobicContact CB-CD2 3.37Å; F182-W334 HydrophobicContact CB-CE3 3.36Å; F182-W334 HydrophobicContact CB-CG 3.91Å; F182-W334 HydrophobicContact CB-CH2 3.96Å; F182-W334 HydrophobicContact CB-CZ2 3.97Å; F182-W334 HydrophobicContact CB-CZ3 3.67Å; F182-W334 HydrophobicContact CD1-CE3 4.09Å; F182-W334 HydrophobicContact CD2-CB 3.45Å; F182-W334 VanDerWaalsContact CD2-CB 3.45Å; F182-W334 HydrophobicContact CD2-CD2 4.01Å; F182-W334 HydrophobicContact CD2-CE3 4.28Å; F182-W334 AromaticContact CD2-CG 3.65Å; F182-W334 HydrophobicContact CD2-CG 3.65Å; F182-W334 HydrophobicContact CE2-CB 3.75Å; F182-W334 HydrophobicContact CE2-CG 4.43Å; F182-W334 HydrophobicContact CG-CB 4.05Å; F182-W334 AromaticContact CG-CD2 3.77Å; F182-W334 HydrophobicContact CG-CD2 3.77Å; F182-W334 AromaticContact CG-CE3 3.67Å; F182-W334 HydrophobicContact CG-CE3 3.67Å; F182-W334 AromaticContact CG-CG 3.94Å; F182-W334 HydrophobicContact CG-CG 3.94Å; F182-W334 HydrophobicContact CG-CZ3 4.34Å; D332-W334 VanDerWaalsContact C-N 3.33Å; D332-W334 PolarHBondContact O-N 3.08Å; D332-W334 WeakPolarHBondContact OD1-CA 3.45Å; D332-W334 WeakPolarHBondContact OD1-CB 3.4Å; D332-W334 PolarHBondContact OD1-N 3.08Å; W334-S336 VanDerWaalsContact C-N 3.34Å; W334-S336 PolarHBondContact O-N 3.16Å; W334-A337 PolarHBondContact O-N 3.35Å; W334-F338 WeakPolarHBondContact O-CB 3.2Å; W334-F338 PolarHBondContact O-N 3.11Å; W334-L409 HydrophobicContact CE3-CD2 4.23Å; W334-L409 VanDerWaalsContact CZ3-O 3.27Å; W334-L409 WeakPolarHBondContact CZ3-O 3.39Å; W334-V412 HydrophobicContact CD2-CB 4.49Å; W334-V412 HydrophobicContact CD2-CG1 4.1Å; W334-V412 HydrophobicContact CD2-CG2 4.33Å; W334-V412 HydrophobicContact CE3-CB 3.99Å; W334-V412 HydrophobicContact CE3-CG1 4.11Å; W334-V412 HydrophobicContact CE3-CG2 3.65Å; W334-V412 HydrophobicContact CH2-CB 4.24Å; W334-V412 HydrophobicContact CH2-CG1 4.39Å; W334-V412 HydrophobicContact CZ2-CG1 4.38Å; W334-V412 HydrophobicContact CZ3-CB 3.86Å; W334-V412 HydrophobicContact CZ3-CG1 4.26Å; W334-V412 HydrophobicContact CZ3-CG2 3.88Å
335W98.2Very high96.8Very high6 Ų644 Ų442%0.02326%0.256CS..Hα-helixtrans-61.1-43.8174176.4-102.7000111.8V197 T328 E330 D332 A337 F338 S339 L349 K351 I371V197-W335 HydrophobicContact CG1-CH2 4.21Å; V197-W335 HydrophobicContact CG1-CZ3 3.81Å; T328-W335 VanDerWaalsContact C-CD1 3.44Å; T328-W335 HydrophobicContact CG2-CD2 4.18Å; T328-W335 HydrophobicContact CG2-CE3 3.78Å; T328-W335 HydrophobicContact CG2-CH2 4.25Å; T328-W335 HydrophobicContact CG2-CZ3 3.8Å; T328-W335 PolarHBondContact O-NE1 3.02Å; E330-W335 PolarHBondContact OE1-NE1 3.16Å; D332-W335 HydrophobicContact CB-CB 4.02Å; D332-W335 PolarHBondContact O-N 3.26Å; D332-W335 PolarHBondContact OD1-N 3.4Å; W335-A337 VanDerWaalsContact C-N 3.35Å; W335-A337 PolarHBondContact O-N 2.88Å; W335-F338 HydrophobicContact CE3-CD1 4.24Å; W335-F338 HydrophobicContact CH2-CD1 4.5Å; W335-F338 AromaticContact CZ3-CD1 3.97Å; W335-F338 HydrophobicContact CZ3-CD1 3.97Å; W335-F338 HydrophobicContact CZ3-CE1 4.25Å; W335-F338 PolarHBondContact O-N 3.37Å; W335-S339 VanDerWaalsContact O-CB 3.27Å; W335-S339 WeakPolarHBondContact O-CB 3.25Å; W335-S339 PolarHBondContact O-N 2.84Å; W335-S339 PolarHBondContact O-OG 3.16Å; W335-L349 HydrophobicContact CH2-CD1 4.31Å; W335-K351 HydrophobicContact CH2-CD 3.81Å; W335-K351 HydrophobicContact CH2-CG 3.8Å; W335-K351 HydrophobicContact CZ2-CD 3.73Å; W335-K351 HydrophobicContact CZ2-CG 4.19Å; W335-I371 HydrophobicContact CE3-CD1 3.66Å; W335-I371 HydrophobicContact CZ3-CD1 3.94Å
336S97.9Very high96.9Very high40 Ų4048.1 Ų48.128%0.2828%0.275SS..Hα-helixtrans-60.1-45.2179.3-168.20000111.2E330 D332 W334 S339 T340E330-S336 WeakPolarHBondContact O-CB 3.38Å; E330-S336 PolarHBondContact O-OG 2.91Å; D332-S336 WeakPolarHBondContact O-CB 3.43Å; D332-S336 PolarHBondContact O-N 2.86Å; W334-S336 VanDerWaalsContact C-N 3.34Å; W334-S336 PolarHBondContact O-N 3.16Å; S336-S339 PolarHBondContact O-OG 3.36Å; S336-T340 WeakPolarHBondContact O-CB 3.37Å; S336-T340 PolarHBondContact O-N 2.95Å; S336-T340 PolarHBondContact O-OG1 3.25Å
337A98.3Very high97Very high20 Ų2048.6 Ų48.617%0.16528%0.278CS..Hα-helixtrans-63.7-47175.300000112.7P333 W334 W335 A341 V412P333-A337 WeakPolarHBondContact O-CB 3.12Å; P333-A337 PolarHBondContact O-N 2.88Å; P333-A337 VanDerWaalsContact O-N 3.15Å; W334-A337 PolarHBondContact O-N 3.35Å; W335-A337 VanDerWaalsContact C-N 3.35Å; W335-A337 PolarHBondContact O-N 2.88Å; A337-A341 WeakPolarHBondContact O-CB 3.46Å; A337-A341 PolarHBondContact O-N 2.83Å; A337-A341 VanDerWaalsContact O-N 3.08Å; A337-V412 HydrophobicContact CB-CG2 3.45Å; A337-V412 VanDerWaalsContact CB-CG2 3.45Å
338F98.6Very high97Very high0 Ų050.6 Ų50.60%029%0.288CS..Hα-helixtrans-59.8-56.8177.8176.9-92.2000111.7L184 V197 W334 W335 T340 A341 C342 L349 F373 L405 L409L184-F338 HydrophobicContact CD2-CD2 4.12Å; L184-F338 HydrophobicContact CD2-CE2 4.01Å; V197-F338 HydrophobicContact CG1-CE1 3.87Å; V197-F338 HydrophobicContact CG1-CZ 4.2Å; V197-F338 HydrophobicContact CG2-CE1 3.97Å; V197-F338 HydrophobicContact CG2-CZ 4.28Å; W334-F338 WeakPolarHBondContact O-CB 3.2Å; W334-F338 PolarHBondContact O-N 3.11Å; W335-F338 HydrophobicContact CE3-CD1 4.24Å; W335-F338 HydrophobicContact CH2-CD1 4.5Å; W335-F338 AromaticContact CZ3-CD1 3.97Å; W335-F338 HydrophobicContact CZ3-CD1 3.97Å; W335-F338 HydrophobicContact CZ3-CE1 4.25Å; W335-F338 PolarHBondContact O-N 3.37Å; F338-T340 VanDerWaalsContact C-N 3.34Å; F338-T340 PolarHBondContact O-N 2.8Å; F338-A341 PolarHBondContact O-N 2.95Å; F338-C342 PolarHBondContact O-N 3.38Å; F338-L349 HydrophobicContact CD1-CD1 4.4Å; F338-L349 HydrophobicContact CE1-CD1 3.99Å; F338-F373 HydrophobicContact CE2-CB 4.36Å; F338-F373 AromaticContact CE2-CD1 3.94Å; F338-F373 HydrophobicContact CE2-CD1 3.94Å; F338-F373 HydrophobicContact CE2-CE1 4.32Å; F338-F373 HydrophobicContact CE2-CG 4.03Å; F338-F373 HydrophobicContact CZ-CB 4.19Å; F338-F373 AromaticContact CZ-CD1 3.94Å; F338-F373 HydrophobicContact CZ-CD1 3.94Å; F338-F373 AromaticContact CZ-CD2 3.73Å; F338-F373 HydrophobicContact CZ-CD2 3.73Å; F338-F373 HydrophobicContact CZ-CE1 4.19Å; F338-F373 AromaticContact CZ-CE2 3.97Å; F338-F373 HydrophobicContact CZ-CE2 3.97Å; F338-F373 AromaticContact CZ-CG 3.68Å; F338-F373 HydrophobicContact CZ-CG 3.68Å; F338-F373 HydrophobicContact CZ-CZ 4.19Å; F338-L405 HydrophobicContact CD2-CD1 4.26Å; F338-L405 HydrophobicContact CD2-CD2 3.69Å; F338-L405 HydrophobicContact CE2-CD1 3.79Å; F338-L405 HydrophobicContact CE2-CD2 3.95Å; F338-L405 HydrophobicContact CG-CD2 4.36Å; F338-L409 HydrophobicContact CB-CD2 4.2Å
339S98.3Very high97.1Very high1 Ų151.2 Ų51.21%0.00729%0.29CS..Hα-helixtrans-65.8-35.8-175.667.30000112W335 S336 C342 K343W335-S339 VanDerWaalsContact O-CB 3.27Å; W335-S339 WeakPolarHBondContact O-CB 3.25Å; W335-S339 PolarHBondContact O-N 2.84Å; W335-S339 PolarHBondContact O-OG 3.16Å; S336-S339 PolarHBondContact O-OG 3.36Å; S339-C342 PolarHBondContact O-N 2.87Å; S339-K343 WeakPolarHBondContact O-CB 3.42Å; S339-K343 WeakPolarHBondContact O-CG 3.37Å; S339-K343 PolarHBondContact O-N 2.71Å
340T98.1Very high97.1Very high75 Ų7554 Ų5446%0.4630%0.296SS..Hα-helixtrans-65.8-41.5174.9-63.10000111.9S336 F338 K343 S344S336-T340 WeakPolarHBondContact O-CB 3.37Å; S336-T340 PolarHBondContact O-N 2.95Å; S336-T340 PolarHBondContact O-OG1 3.25Å; F338-T340 VanDerWaalsContact C-N 3.34Å; F338-T340 PolarHBondContact O-N 2.8Å; T340-K343 PolarHBondContact O-N 2.75Å; T340-S344 PolarHBondContact O-N 3.17Å
341A98.3Very high97.2Very high8 Ų854.2 Ų54.27%0.06630%0.296CS..Hα-helixtrans-63.3-43.9175.600000111.6A337 F338 S344 L345 L405 A408A337-A341 WeakPolarHBondContact O-CB 3.46Å; A337-A341 PolarHBondContact O-N 2.83Å; A337-A341 VanDerWaalsContact O-N 3.08Å; F338-A341 PolarHBondContact O-N 2.95Å; A341-S344 PolarHBondContact O-N 3.2Å; A341-S344 PolarHBondContact O-OG 3.25Å; A341-L345 PolarHBondContact O-N 3.29Å; A341-L405 HydrophobicContact CB-CD2 3.77Å; A341-A408 HydrophobicContact CB-CB 3.67Å
342C98.2Very high97.1Very high0 Ų049.4 Ų49.40%027%0.268CS..Hα-helixtrans-61.3-45.4172.5-70.50000112.7F338 S339 S344 L345 N346 M347 L349F338-C342 PolarHBondContact O-N 3.38Å; S339-C342 PolarHBondContact O-N 2.87Å; C342-S344 VanDerWaalsContact C-N 3.25Å; C342-S344 PolarHBondContact O-N 3.24Å; C342-L345 CarbonylContact O-C 3.55Å; C342-L345 WeakPolarHBondContact O-CA 3.24Å; C342-L345 WeakPolarHBondContact O-CB 3.46Å; C342-L345 PolarHBondContact O-N 2.89Å; C342-N346 PolarHBondContact O-N 2.96Å; C342-M347 HydrophobicContact CB-CB 4.15Å; C342-M347 HydrophobicContact CB-SD 4.15Å; C342-M347 WeakPolarHBondContact O-CB 3.44Å; C342-M347 PolarHBondContact O-N 2.84Å; C342-M347 VanDerWaalsContact O-N 3.08Å; C342-L349 HydrophobicContact CB-CD1 3.81Å; C342-L349 HydrophobicContact CB-CD2 3.89Å; C342-L349 HydrophobicContact CB-CG 4.09Å
343K96.9Very high96.9Very high104 Ų10447.9 Ų47.945%0.45226%0.261SS..Hα-helixtrans-57.4-39.1175.1-73.7164.4-172.3164.40111.2E330 S339 T340 L345 N346E330-K343 IonicContact OE1-NZ 3.97Å; E330-K343 IonicContact OE2-NZ 3.33Å; E330-K343 PolarHBondContact OE2-NZ 2.74Å; S339-K343 WeakPolarHBondContact O-CB 3.42Å; S339-K343 WeakPolarHBondContact O-CG 3.37Å; S339-K343 PolarHBondContact O-N 2.71Å; T340-K343 PolarHBondContact O-N 2.75Å; K343-L345 PolarHBondContact O-N 2.88Å; K343-N346 PolarHBondContact O-N 2.78Å
344S97.6Very high96.5Very high59 Ų5945.1 Ų45.141%0.41324%0.242SC..Hα-helixtrans-67-16177.183.80000114.5T340 A341 C342 R404T340-S344 PolarHBondContact O-N 3.17Å; A341-S344 PolarHBondContact O-N 3.2Å; A341-S344 PolarHBondContact O-OG 3.25Å; C342-S344 VanDerWaalsContact C-N 3.25Å; C342-S344 PolarHBondContact O-N 3.24Å; S344-R404 PolarHBondContact OG-NH2 3.28Å
345L97.2Very high95.8Very high55 Ų5546 Ų4629%0.28825%0.25SC..THydrogen-bonded Turntrans-97.98.4173.5-70.6174.3000112.4A341 C342 K343 M347 V401 R404A341-L345 PolarHBondContact O-N 3.29Å; C342-L345 CarbonylContact O-C 3.55Å; C342-L345 WeakPolarHBondContact O-CA 3.24Å; C342-L345 WeakPolarHBondContact O-CB 3.46Å; C342-L345 PolarHBondContact O-N 2.89Å; K343-L345 PolarHBondContact O-N 2.88Å; L345-M347 HydrophobicContact CB-CG 3.75Å; L345-M347 HydrophobicContact CB-SD 3.79Å; L345-M347 HydrophobicContact CD1-SD 3.82Å; L345-M347 HydrophobicContact CG-SD 4.48Å; L345-M347 PolarHBondContact O-N 2.99Å; L345-V401 HydrophobicContact CD1-CB 4.3Å; L345-V401 HydrophobicContact CD1-CG1 4.22Å; L345-V401 HydrophobicContact CD1-CG2 4.14Å; L345-R404 HydrophobicContact CD1-CB 4.03Å; L345-R404 HydrophobicContact CD1-CG 4.16Å; L345-R404 HydrophobicContact CD2-CG 4.06Å; L345-R404 HydrophobicContact CG-CG 4.37Å
346N97Very high94.9Very high155 Ų15547.9 Ų47.983%0.82927%0.266SS*.THydrogen-bonded Turntrans56.933.6-173.4-56.6-50.5000113.2C342 K343C342-N346 PolarHBondContact O-N 2.96Å; K343-N346 PolarHBondContact O-N 2.78Å
347M97.8Very high94.3Very high15 Ų1547 Ų477%0.07426%0.262CS..PPolyproline II helixtrans-87.5126.9178.5-59171.772.700110.3F195 C342 L345 L349 F373 V401F195-M347 HydrophobicContact CB-CE 4.16Å; F195-M347 HydrophobicContact CD1-CE 3.58Å; F195-M347 HydrophobicContact CD2-CB 3.84Å; F195-M347 HydrophobicContact CD2-CE 3.47Å; F195-M347 VanDerWaalsContact CD2-CE 3.47Å; F195-M347 HydrophobicContact CD2-CG 4.09Å; F195-M347 HydrophobicContact CE1-CE 3.71Å; F195-M347 HydrophobicContact CE2-CB 4.02Å; F195-M347 HydrophobicContact CE2-CE 3.62Å; F195-M347 HydrophobicContact CE2-CG 3.83Å; F195-M347 HydrophobicContact CG-CE 3.45Å; F195-M347 VanDerWaalsContact CG-CE 3.45Å; F195-M347 HydrophobicContact CZ-CE 3.72Å; F195-M347 HydrophobicContact CZ-CG 4.47Å; C342-M347 HydrophobicContact CB-CB 4.15Å; C342-M347 HydrophobicContact CB-SD 4.15Å; C342-M347 WeakPolarHBondContact O-CB 3.44Å; C342-M347 PolarHBondContact O-N 2.84Å; C342-M347 VanDerWaalsContact O-N 3.08Å; L345-M347 HydrophobicContact CB-CG 3.75Å; L345-M347 HydrophobicContact CB-SD 3.79Å; L345-M347 HydrophobicContact CD1-SD 3.82Å; L345-M347 HydrophobicContact CG-SD 4.48Å; L345-M347 PolarHBondContact O-N 2.99Å; M347-L349 HydrophobicContact CB-CD2 4.42Å; M347-F373 HydrophobicContact CE-CE2 4.45Å; M347-F373 HydrophobicContact CE-CZ 3.68Å; M347-V401 HydrophobicContact CE-CG1 4.03Å; M347-V401 HydrophobicContact CE-CG2 4.12Å; M347-V401 HydrophobicContact SD-CG1 4Å; M347-V401 HydrophobicContact SD-CG2 4.04Å
348T96.8Very high94.1Very high92 Ų9246.1 Ų46.156%0.56425%0.254SS*.PPolyproline II helixtrans-81.6123.9166.6-58.50000108.6A194 F195A194-T348 CarbonylContact C-O 3.52Å; A194-T348 WeakPolarHBondContact CA-O 3.49Å; A194-T348 HydrophobicContact CB-CG2 4.21Å; F195-T348 PolarHBondContact N-O 2.96Å
349L97.3Very high93.9Very high39 Ų3946.1 Ų46.120%0.20425%0.254CS..EExtended strand (participates in β ladder)trans-102.1132.2179.6-58.9-176.8000111F195 V197 W335 F338 C342 M347 F373F195-L349 HydrophobicContact CB-CD2 4.15Å; F195-L349 WeakPolarHBondContact O-CA 3.15Å; V197-L349 HydrophobicContact CG2-CB 4.11Å; V197-L349 HydrophobicContact CG2-CD1 4.28Å; V197-L349 HydrophobicContact CG2-CD2 3.8Å; V197-L349 HydrophobicContact CG2-CG 4.28Å; W335-L349 HydrophobicContact CH2-CD1 4.31Å; F338-L349 HydrophobicContact CD1-CD1 4.4Å; F338-L349 HydrophobicContact CE1-CD1 3.99Å; C342-L349 HydrophobicContact CB-CD1 3.81Å; C342-L349 HydrophobicContact CB-CD2 3.89Å; C342-L349 HydrophobicContact CB-CG 4.09Å; M347-L349 HydrophobicContact CB-CD2 4.42Å; L349-F373 HydrophobicContact CD2-CE2 4.43Å
350E95.3Very high93.8Very high98 Ų9846.1 Ų46.146%0.45825%0.254SS..EExtended strand (participates in β ladder)trans-108.8120.9169.5-78.7173.6178.600108.7N190 A194 F195 T196 V197N190-E350 PolarHBondContact ND2-OE2 3.11Å; A194-E350 HydrophobicContact CB-CB 4.38Å; A194-E350 HydrophobicContact CB-CG 3.64Å; A194-E350 WeakPolarHBondContact CB-OE1 3.18Å; F195-E350 PolarHBondContact O-N 3.37Å; T196-E350 CarbonylContact C-O 3.54Å; T196-E350 WeakPolarHBondContact CA-O 3.5Å; V197-E350 PolarHBondContact N-O 3.46Å
351K94.4Very high93.6Very high108 Ų10843.5 Ų43.547%0.4724%0.236SC..EExtended strand (participates in β ladder)trans-91.1129.8-179.7-67.7175.1-76.9-178.60109.3V197 Y199 T328 W335V197-K351 WeakPolarHBondContact O-CA 3.29Å; Y199-K351 HydrophobicContact CD1-CB 4.35Å; Y199-K351 HydrophobicContact CE1-CB 4.29Å; T328-K351 HydrophobicContact CG2-CD 4.12Å; W335-K351 HydrophobicContact CH2-CD 3.81Å; W335-K351 HydrophobicContact CH2-CG 3.8Å; W335-K351 HydrophobicContact CZ2-CD 3.73Å; W335-K351 HydrophobicContact CZ2-CG 4.19Å
352E92.8Very high93.5Very high42 Ų4243.6 Ų43.620%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-142.2152.9-178.3-155.7-179.5166.100112T196 V197 F198 Y199 T255T196-E352 HydrophobicContact CG2-CB 3.87Å; V197-E352 PolarHBondContact O-N 2.99Å; F198-E352 WeakPolarHBondContact CA-O 3.46Å; F198-E352 HydrophobicContact CD1-CB 3.93Å; F198-E352 HydrophobicContact CE1-CB 3.84Å; F198-E352 HydrophobicContact CE1-CG 4.36Å; Y199-E352 WeakPolarHBondContact CD1-O 3.49Å; Y199-E352 PolarHBondContact N-O 3.28Å; T255-E352 HydrophobicContact CG2-CG 4.28Å; T255-E352 WeakPolarHBondContact OG1-CG 3.33Å; T255-E352 PolarHBondContact OG1-OE1 3.25Å
353I91.8Very high93.5Very high1 Ų143.6 Ų43.61%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-80.2123.3160.3-63.9-58000107.7Y199 G200 R202 G257 P290 V325Y199-I353 HydrophobicContact CD1-CD1 4.44Å; Y199-I353 HydrophobicContact CD2-CD1 4.21Å; Y199-I353 HydrophobicContact CE1-CD1 3.92Å; Y199-I353 HydrophobicContact CE1-CG1 4.41Å; Y199-I353 HydrophobicContact CE2-CD1 3.67Å; Y199-I353 VanDerWaalsContact CZ-CD1 3.49Å; G200-I353 CarbonylContact O-C 3.53Å; G200-I353 WeakPolarHBondContact O-CA 3.48Å; R202-I353 HydrophobicContact CG-CG2 3.88Å; G257-I353 WeakPolarHBondContact CA-O 3.23Å; P290-I353 HydrophobicContact CG-CD1 3.68Å; P290-I353 HydrophobicContact CG-CG1 4.2Å; P290-I353 HydrophobicContact CG-CG2 4.28Å; V325-I353 HydrophobicContact CG1-CD1 4.37Å
354F88.9Confident93.4Very high10 Ų1038.9 Ų38.94%0.04421%0.214CC..EExtended strand (participates in β ladder)trans-57127-177.6-159.6-93.7000109.8L188 F198 G200 E201 R202 A356 T358L188-F354 HydrophobicContact CD1-CE2 4.16Å; L188-F354 HydrophobicContact CD1-CZ 4.33Å; L188-F354 HydrophobicContact CD2-CE2 3.7Å; L188-F354 HydrophobicContact CD2-CZ 3.51Å; L188-F354 HydrophobicContact CG-CD2 4.33Å; L188-F354 HydrophobicContact CG-CE2 3.52Å; L188-F354 HydrophobicContact CG-CZ 3.83Å; F198-F354 HydrophobicContact CB-CB 4.12Å; F198-F354 HydrophobicContact CB-CD2 3.92Å; F198-F354 VanDerWaalsContact CD1-CA 3.43Å; F198-F354 HydrophobicContact CD1-CB 3.73Å; F198-F354 AromaticContact CD1-CD2 3.5Å; F198-F354 HydrophobicContact CD1-CD2 3.5Å; F198-F354 HydrophobicContact CD1-CG 4.01Å; F198-F354 AromaticContact CD2-CD2 3.65Å; F198-F354 HydrophobicContact CD2-CD2 3.65Å; F198-F354 HydrophobicContact CD2-CE2 4.11Å; F198-F354 HydrophobicContact CE1-CB 4.39Å; F198-F354 AromaticContact CE1-CD2 3.75Å; F198-F354 HydrophobicContact CE1-CD2 3.75Å; F198-F354 HydrophobicContact CE1-CG 4.35Å; F198-F354 AromaticContact CE2-CD2 3.95Å; F198-F354 HydrophobicContact CE2-CD2 3.95Å; F198-F354 HydrophobicContact CE2-CE2 4.14Å; F198-F354 HydrophobicContact CG-CB 4.11Å; F198-F354 AromaticContact CG-CD2 3.41Å; F198-F354 HydrophobicContact CG-CD2 3.41Å; F198-F354 VanDerWaalsContact CG-CD2 3.41Å; F198-F354 HydrophobicContact CG-CE2 4.31Å; F198-F354 HydrophobicContact CG-CG 4.22Å; F198-F354 AromaticContact CZ-CD2 3.96Å; F198-F354 HydrophobicContact CZ-CD2 3.96Å; F198-F354 HydrophobicContact CZ-CE2 4.29Å; G200-F354 WeakPolarHBondContact O-CB 3.31Å; G200-F354 PolarHBondContact O-N 3.28Å; E201-F354 HydrophobicContact CB-CB 4.26Å; E201-F354 HydrophobicContact CG-CB 3.83Å; R202-F354 PolarHBondContact N-O 3.44Å; F354-A356 VanDerWaalsContact C-N 3.3Å; F354-A356 VanDerWaalsContact CD1-C 3.43Å; F354-A356 HydrophobicContact CD1-CB 4.03Å; F354-A356 HydrophobicContact CE1-CB 3.74Å; F354-A356 PolarHBondContact O-N 3.3Å; F354-T358 HydrophobicContact CD1-CG2 3.95Å; F354-T358 HydrophobicContact CD2-CG2 4.1Å; F354-T358 HydrophobicContact CE1-CG2 3.61Å; F354-T358 HydrophobicContact CE2-CG2 3.81Å; F354-T358 HydrophobicContact CG-CG2 4.19Å; F354-T358 HydrophobicContact CZ-CG2 3.57Å
355P81.4Confident93.3Very high38 Ų3838.5 Ų38.525%0.24722%0.215CC..SBendtrans-72.7-23.8-172.927.1-34.5000113.4L188L188-P355 HydrophobicContact CD1-CG 4.02Å
356A80.9Confident93.3Very high45 Ų4538.8 Ų38.837%0.37222%0.219SC..SBendtrans-106-134.8172.800000110.2F354F354-A356 VanDerWaalsContact C-N 3.3Å; F354-A356 VanDerWaalsContact CD1-C 3.43Å; F354-A356 HydrophobicContact CD1-CB 4.03Å; F354-A356 HydrophobicContact CE1-CB 3.74Å; F354-A356 PolarHBondContact O-N 3.3Å
357A84.5Confident93.2Very high22 Ų2234.3 Ų34.318%0.18221%0.209CC..  trans-142.4146.9177.900000110.1R361A357-R361 VanDerWaalsContact C-NH1 3.28Å
358T93.1Very high93.2Very high2 Ų234.6 Ų34.61%0.01221%0.21CC..  trans-130.4172.6170.783.60000110.1E158 D185 E186 E201 F354 S360 R361E158-T358 WeakPolarHBondContact OE1-CA 3.2Å; D185-T358 PolarHBondContact OD2-OG1 3.3Å; E186-T358 HydrophobicContact CG-CG2 3.67Å; E201-T358 PolarHBondContact OE1-OG1 3.17Å; F354-T358 HydrophobicContact CD1-CG2 3.95Å; F354-T358 HydrophobicContact CD2-CG2 4.1Å; F354-T358 HydrophobicContact CE1-CG2 3.61Å; F354-T358 HydrophobicContact CE2-CG2 3.81Å; F354-T358 HydrophobicContact CG-CG2 4.19Å; F354-T358 HydrophobicContact CZ-CG2 3.57Å; T358-S360 PolarHBondContact O-N 2.98Å; T358-S360 WeakPolarHBondContact OG1-CB 3.38Å; T358-S360 PolarHBondContact OG1-N 2.87Å; T358-R361 VanDerWaalsContact N-NH1 3.12Å; T358-R361 WeakPolarHBondContact O-CD 3.49Å; T358-R361 VanDerWaalsContact O-CG 3.24Å; T358-R361 WeakPolarHBondContact O-CG 3.38Å; T358-R361 PolarHBondContact O-N 2.88Å; T358-R361 PolarHBondContact O-NH1 3.4Å
359D95.7Very high93.2Very high0 Ų031.7 Ų31.70%019%0.193CC..THydrogen-bonded Turntrans-58.9-23.9177.3-92.2-15.8000114.4V155 E158 M166 R361 F362 I363V155-D359 WeakPolarHBondContact CG1-OD2 3.48Å; E158-D359 HydrophobicContact CG-CB 4.41Å; M166-D359 HydrophobicContact CB-CB 4.12Å; M166-D359 WeakPolarHBondContact CB-OD1 3.22Å; M166-D359 HydrophobicContact CE-CB 3.91Å; M166-D359 HydrophobicContact CG-CB 4.02Å; D359-R361 PolarHBondContact O-N 3.19Å; D359-F362 WeakPolarHBondContact O-CB 3.39Å; D359-F362 PolarHBondContact O-N 3.01Å; D359-I363 PolarHBondContact O-N 2.91Å
360S96.2Very high93.3Very high0 Ų029.8 Ų29.80%018%0.183CC..Hα-helixtrans-50.7-31.1174.7-75.60000113.8D185 E201 T358 F362 I363 R364D185-S360 WeakPolarHBondContact CB-OG 3.25Å; D185-S360 WeakPolarHBondContact OD2-CB 3.5Å; D185-S360 PolarHBondContact OD2-N 3.28Å; D185-S360 PolarHBondContact OD2-OG 3.48Å; E201-S360 VanDerWaalsContact OE1-CB 3.26Å; E201-S360 WeakPolarHBondContact OE1-CB 3.36Å; T358-S360 PolarHBondContact O-N 2.98Å; T358-S360 WeakPolarHBondContact OG1-CB 3.38Å; T358-S360 PolarHBondContact OG1-N 2.87Å; S360-F362 VanDerWaalsContact C-N 3.25Å; S360-F362 PolarHBondContact O-N 3.18Å; S360-I363 PolarHBondContact O-N 2.84Å; S360-R364 WeakPolarHBondContact O-CB 3.43Å; S360-R364 WeakPolarHBondContact O-CG 3.39Å; S360-R364 PolarHBondContact O-N 2.8Å
361R93.6Very high93.4Very high20 Ų2025.1 Ų25.18%0.07516%0.162CC..Hα-helixtrans-58-36.6175.874.9-167.3170.8-105.78.5113E158 G161 E201 N322 A357 T358 D359 A365E158-R361 IonicContact OE1-NH1 2.64Å; G161-R361 PolarHBondContact O-NH2 3.2Å; E201-R361 PolarHBondContact OE1-N 2.91Å; E201-R361 WeakPolarHBondContact OE2-CA 3.1Å; E201-R361 WeakPolarHBondContact OE2-CB 3.35Å; N322-R361 PolarHBondContact ND2-O 3.31Å; A357-R361 VanDerWaalsContact C-NH1 3.28Å; T358-R361 VanDerWaalsContact N-NH1 3.12Å; T358-R361 WeakPolarHBondContact O-CD 3.49Å; T358-R361 VanDerWaalsContact O-CG 3.24Å; T358-R361 WeakPolarHBondContact O-CG 3.38Å; T358-R361 PolarHBondContact O-N 2.88Å; T358-R361 PolarHBondContact O-NH1 3.4Å; D359-R361 PolarHBondContact O-N 3.19Å; R361-A365 WeakPolarHBondContact O-CB 3.41Å; R361-A365 PolarHBondContact O-N 2.94Å
362F95.8Very high93.6Very high10 Ų1020 Ų204%0.04414%0.14CC..Hα-helixtrans-78.9-38-179.3-60.9-60.5000111M166 E167 V170 D359 S360 A365 V366M166-F362 HydrophobicContact CB-CD2 3.83Å; M166-F362 HydrophobicContact CG-CB 3.64Å; M166-F362 HydrophobicContact CG-CD2 3.81Å; M166-F362 HydrophobicContact CG-CG 4.14Å; E167-F362 HydrophobicContact CB-CD1 3.68Å; E167-F362 HydrophobicContact CB-CD2 4.3Å; E167-F362 HydrophobicContact CB-CE1 3.46Å; E167-F362 VanDerWaalsContact CB-CE1 3.46Å; E167-F362 HydrophobicContact CB-CE2 4.08Å; E167-F362 HydrophobicContact CB-CG 4.1Å; E167-F362 HydrophobicContact CB-CZ 3.66Å; E167-F362 VanDerWaalsContact CD-CE1 3.45Å; E167-F362 HydrophobicContact CG-CD1 3.7Å; E167-F362 HydrophobicContact CG-CE1 3.48Å; E167-F362 VanDerWaalsContact CG-CE1 3.48Å; E167-F362 HydrophobicContact CG-CZ 4.15Å; V170-F362 HydrophobicContact CG1-CB 4.12Å; V170-F362 HydrophobicContact CG2-CB 4.24Å; D359-F362 WeakPolarHBondContact O-CB 3.39Å; D359-F362 PolarHBondContact O-N 3.01Å; S360-F362 VanDerWaalsContact C-N 3.25Å; S360-F362 PolarHBondContact O-N 3.18Å; F362-A365 VanDerWaalsContact O-CB 3.28Å; F362-A365 WeakPolarHBondContact O-CB 3.39Å; F362-A365 PolarHBondContact O-N 3.21Å; F362-V366 PolarHBondContact O-N 2.85Å
363I97.7Very high93.8Very high0 Ų018 Ų180%013%0.13CC..Hα-helixtrans-62.9-45.3174.2-60.9172.6000110.2L87 M166 A183 D359 S360 A365 V366 I368 A370L87-I363 HydrophobicContact CD2-CD1 3.86Å; M166-I363 HydrophobicContact CE-CD1 4.15Å; M166-I363 HydrophobicContact CE-CG1 4.39Å; M166-I363 HydrophobicContact SD-CD1 4.41Å; M166-I363 HydrophobicContact SD-CG1 4.01Å; A183-I363 HydrophobicContact CB-CD1 4.03Å; A183-I363 HydrophobicContact CB-CG2 4.08Å; D359-I363 PolarHBondContact O-N 2.91Å; S360-I363 PolarHBondContact O-N 2.84Å; I363-A365 VanDerWaalsContact C-N 3.3Å; I363-A365 PolarHBondContact O-N 2.78Å; I363-V366 WeakPolarHBondContact O-CG2 3.48Å; I363-V366 PolarHBondContact O-N 3.19Å; I363-I368 HydrophobicContact CG2-CB 3.62Å; I363-I368 HydrophobicContact CG2-CD1 4.48Å; I363-I368 HydrophobicContact CG2-CG2 3.57Å; I363-I368 PolarHBondContact O-N 2.82Å; I363-A370 HydrophobicContact CB-CB 4.2Å; I363-A370 HydrophobicContact CG2-CB 3.99Å
364R96.6Very high94.1Very high5 Ų518 Ų182%0.01913%0.13CC..Hα-helixtrans-65.3-31.6174.1-73.5-167.7-73.3-98.64.1112.8E201 N324 T326 S360 V366 G367 I368 A370E201-R364 IonicContact OE1-CZ 3.22Å; E201-R364 IonicContact OE1-NH2 2.74Å; E201-R364 PolarHBondContact OE1-NH2 2.84Å; E201-R364 IonicContact OE2-CZ 3.91Å; E201-R364 IonicContact OE2-NE 3.68Å; E201-R364 IonicContact OE2-NH2 2.75Å; E201-R364 PolarHBondContact OE2-NH2 3.25Å; N324-R364 HydrophobicContact CB-CB 4.05Å; N324-R364 PolarHBondContact ND2-O 2.67Å; N324-R364 WeakPolarHBondContact O-CD 3.33Å; N324-R364 PolarHBondContact O-NE 3.25Å; T326-R364 WeakPolarHBondContact OG1-CD 3.41Å; S360-R364 WeakPolarHBondContact O-CB 3.43Å; S360-R364 WeakPolarHBondContact O-CG 3.39Å; S360-R364 PolarHBondContact O-N 2.8Å; R364-V366 PolarHBondContact O-N 2.69Å; R364-G367 PolarHBondContact O-N 3.36Å; R364-I368 WeakPolarHBondContact CA-O 3.41Å; R364-A370 HydrophobicContact CG-CB 4.11Å; R364-A370 PolarHBondContact NH1-O 3.03Å
365A94.4Very high94.5Very high52 Ų5217.6 Ų17.643%0.4313%0.128SC..Hα-helixtrans-59.3-33.7176.900000112.8N322 R361 F362 I363 G367N322-A365 WeakPolarHBondContact ND2-CA 3.48Å; N322-A365 WeakPolarHBondContact ND2-CB 3.43Å; N322-A365 PolarHBondContact ND2-N 3.03Å; R361-A365 WeakPolarHBondContact O-CB 3.41Å; R361-A365 PolarHBondContact O-N 2.94Å; F362-A365 VanDerWaalsContact O-CB 3.28Å; F362-A365 WeakPolarHBondContact O-CB 3.39Å; F362-A365 PolarHBondContact O-N 3.21Å; I363-A365 VanDerWaalsContact C-N 3.3Å; I363-A365 PolarHBondContact O-N 2.78Å; A365-G367 VanDerWaalsContact C-N 3.3Å
366V96.3Very high95.3Very high61 Ų6115.9 Ų15.937%0.3712%0.117SC..THydrogen-bonded Turntrans-92.313.4177.7-60.30000113.2V170 F175 F362 I363 R364 I368V170-V366 HydrophobicContact CB-CG1 4.02Å; V170-V366 HydrophobicContact CB-CG2 4.35Å; V170-V366 HydrophobicContact CG2-CG1 4.12Å; F175-V366 HydrophobicContact CE1-CG2 3.87Å; F175-V366 HydrophobicContact CZ-CG2 4.31Å; F362-V366 PolarHBondContact O-N 2.85Å; I363-V366 WeakPolarHBondContact O-CG2 3.48Å; I363-V366 PolarHBondContact O-N 3.19Å; R364-V366 PolarHBondContact O-N 2.69Å; V366-I368 HydrophobicContact CG2-CD1 3.97Å; V366-I368 HydrophobicContact CG2-CG1 4.42Å
367G95.6Very high96Very high60 Ų6015 Ų1562%0.61911%0.106SC*.THydrogen-bonded Turntrans85.512.4171.800000115.3R364 A365R364-G367 PolarHBondContact O-N 3.36Å; A365-G367 VanDerWaalsContact C-N 3.3Å
368I97.6Very high96.6Very high21 Ų2121.1 Ų21.111%0.10812%0.124CC..  trans-96.2126.4178-64162000109.1F175 I180 I363 R364 V366 A370F175-I368 HydrophobicContact CE1-CD1 3.57Å; F175-I368 HydrophobicContact CZ-CD1 3.76Å; I180-I368 HydrophobicContact CB-CD1 4.06Å; I180-I368 HydrophobicContact CB-CG2 4.41Å; I180-I368 HydrophobicContact CG2-CD1 4.43Å; I180-I368 HydrophobicContact CG2-CG2 3.68Å; I363-I368 HydrophobicContact CG2-CB 3.62Å; I363-I368 HydrophobicContact CG2-CD1 4.48Å; I363-I368 HydrophobicContact CG2-CG2 3.57Å; I363-I368 PolarHBondContact O-N 2.82Å; R364-I368 WeakPolarHBondContact CA-O 3.41Å; V366-I368 HydrophobicContact CG2-CD1 3.97Å; V366-I368 HydrophobicContact CG2-CG1 4.42Å; I368-A370 PolarHBondContact O-N 2.68Å
369P97.8Very high96.9Very high31 Ų3121.3 Ų21.320%0.20113%0.126CC..  trans-64.9128.9174.126.6-32.9000110.4G181 F182 A183 T326G181-P369 VanDerWaalsContact O-CD 3.27Å; G181-P369 WeakPolarHBondContact O-CD 3.39Å; G181-P369 WeakPolarHBondContact O-CG 3.38Å; F182-P369 CarbonylContact C-O 3.57Å; F182-P369 WeakPolarHBondContact CA-O 3.48Å; F182-P369 HydrophobicContact CD2-CB 4.05Å; F182-P369 HydrophobicContact CD2-CG 4.02Å; A183-P369 PolarHBondContact N-O 2.99Å; T326-P369 HydrophobicContact CG2-CB 3.65Å
370A98.3Very high96.9Very high0 Ų024.2 Ų24.20%015%0.145CC..EExtended strand (participates in β ladder)trans-130.1141.1176.700000110.5A183 T326 I363 R364 I368A183-A370 HydrophobicContact CB-CB 3.9Å; A183-A370 CarbonylContact O-C 3.58Å; A183-A370 VanDerWaalsContact O-CA 3.26Å; A183-A370 WeakPolarHBondContact O-CA 3.15Å; T326-A370 WeakPolarHBondContact CB-O 3.49Å; T326-A370 PolarHBondContact OG1-N 3.47Å; T326-A370 PolarHBondContact OG1-O 2.98Å; I363-A370 HydrophobicContact CB-CB 4.2Å; I363-A370 HydrophobicContact CG2-CB 3.99Å; R364-A370 HydrophobicContact CG-CB 4.11Å; R364-A370 PolarHBondContact NH1-O 3.03Å; I368-A370 PolarHBondContact O-N 2.68Å
371I98.2Very high96.9Very high0 Ų028.2 Ų28.20%017%0.165CC..EExtended strand (participates in β ladder)trans-123.9126.3175.3-64.8-173.6000109.3F182 A183 L184 D185 V197 F198 T326 W335 F373F182-I371 HydrophobicContact CE2-CD1 3.91Å; F182-I371 HydrophobicContact CE2-CG1 3.87Å; F182-I371 HydrophobicContact CZ-CB 4.06Å; F182-I371 HydrophobicContact CZ-CD1 3.73Å; F182-I371 HydrophobicContact CZ-CG1 3.76Å; A183-I371 PolarHBondContact O-N 2.7Å; L184-I371 WeakPolarHBondContact CA-O 3.44Å; L184-I371 HydrophobicContact CD2-CB 4.18Å; D185-I371 PolarHBondContact N-O 3.43Å; V197-I371 HydrophobicContact CG1-CG2 3.29Å; F198-I371 WeakPolarHBondContact O-CA 3.37Å; T326-I371 HydrophobicContact CG2-CD1 4.18Å; T326-I371 HydrophobicContact CG2-CG1 3.81Å; W335-I371 HydrophobicContact CE3-CD1 3.66Å; W335-I371 HydrophobicContact CZ3-CD1 3.94Å; I371-F373 HydrophobicContact CG2-CB 4.38Å
372G98Very high97.1Very high1 Ų128.6 Ų28.61%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-79.1122.9168.600000110.4E186 F198E186-G372 CarbonylContact O-C 3.56Å; E186-G372 WeakPolarHBondContact O-CA 3.28Å; F198-G372 PolarHBondContact N-O 2.87Å; F198-G372 PolarHBondContact O-N 2.74Å
373F98.3Very high96.9Very high0 Ų030 Ų300%018%0.177CC..EExtended strand (participates in β ladder)trans-153.2124.6-176.9-178.6-112.5000111.8D185 E186 F195 V197 F338 M347 L349 I371 P375 V401 Y402 L405D185-F373 PolarHBondContact O-N 3.39Å; E186-F373 PolarHBondContact O-N 3.42Å; F195-F373 HydrophobicContact CB-CE2 3.93Å; F195-F373 HydrophobicContact CB-CZ 4.5Å; V197-F373 HydrophobicContact CG2-CD2 3.89Å; V197-F373 HydrophobicContact CG2-CE2 4.09Å; F338-F373 HydrophobicContact CE2-CB 4.36Å; F338-F373 AromaticContact CE2-CD1 3.94Å; F338-F373 HydrophobicContact CE2-CD1 3.94Å; F338-F373 HydrophobicContact CE2-CE1 4.32Å; F338-F373 HydrophobicContact CE2-CG 4.03Å; F338-F373 HydrophobicContact CZ-CB 4.19Å; F338-F373 AromaticContact CZ-CD1 3.94Å; F338-F373 HydrophobicContact CZ-CD1 3.94Å; F338-F373 AromaticContact CZ-CD2 3.73Å; F338-F373 HydrophobicContact CZ-CD2 3.73Å; F338-F373 HydrophobicContact CZ-CE1 4.19Å; F338-F373 AromaticContact CZ-CE2 3.97Å; F338-F373 HydrophobicContact CZ-CE2 3.97Å; F338-F373 AromaticContact CZ-CG 3.68Å; F338-F373 HydrophobicContact CZ-CG 3.68Å; F338-F373 HydrophobicContact CZ-CZ 4.19Å; M347-F373 HydrophobicContact CE-CE2 4.45Å; M347-F373 HydrophobicContact CE-CZ 3.68Å; L349-F373 HydrophobicContact CD2-CE2 4.43Å; I371-F373 HydrophobicContact CG2-CB 4.38Å; F373-P375 HydrophobicContact CE1-CB 4.09Å; F373-P375 HydrophobicContact CZ-CB 4.26Å; F373-V401 HydrophobicContact CE1-CG1 3.9Å; F373-V401 HydrophobicContact CZ-CG1 4.29Å; F373-Y402 HydrophobicContact CD1-CE1 4.02Å; F373-Y402 HydrophobicContact CE1-CE1 4.41Å; F373-Y402 PolarHBondContact O-OH 3.09Å; F373-L405 HydrophobicContact CD1-CD1 3.98Å; F373-L405 HydrophobicContact CE1-CD1 3.66Å
374S98Very high96.7Very high1 Ų134.3 Ų34.31%0.00720%0.196CC..  trans-124.1121.3170.3-70.30000108.6V128 G187 M376V128-S374 WeakPolarHBondContact CG2-OG 3.43Å; G187-S374 VanDerWaalsContact C-OG 3.31Å; G187-S374 PolarHBondContact N-OG 3.47Å; G187-S374 WeakPolarHBondContact O-CB 3.4Å; G187-S374 PolarHBondContact O-OG 2.89Å; S374-M376 VanDerWaalsContact CB-CE 3.43Å; S374-M376 PolarHBondContact O-N 3.34Å
375P97.1Very high96.7Very high0 Ų037.9 Ų37.90%022%0.216CC..  trans-7662.5-176.731.5-36.8000112.1F195 F373 V401 Y402F195-P375 HydrophobicContact CD1-CB 4.5Å; F195-P375 HydrophobicContact CE1-CB 4.36Å; F373-P375 HydrophobicContact CE1-CB 4.09Å; F373-P375 HydrophobicContact CZ-CB 4.26Å; P375-V401 HydrophobicContact CB-CB 4.01Å; P375-V401 HydrophobicContact CB-CG1 4.07Å; P375-V401 HydrophobicContact CB-CG2 3.99Å; P375-V401 HydrophobicContact CG-CB 4.47Å; P375-Y402 HydrophobicContact CG-CD2 4.34Å; P375-Y402 HydrophobicContact CG-CE2 3.78Å
376M97.4Very high96.7Very high2 Ų238.4 Ų38.41%0.0121%0.209CC..  trans-12671.9-172.3-63.7-167.9-73.800111.8Q123 A189 N190 S374 L390 V394Q123-M376 HydrophobicContact CB-CE 4.14Å; Q123-M376 HydrophobicContact CB-SD 4.33Å; Q123-M376 HydrophobicContact CG-SD 4.22Å; A189-M376 CarbonylContact C-O 3.55Å; A189-M376 WeakPolarHBondContact CA-O 3.21Å; A189-M376 HydrophobicContact CB-CB 4.04Å; A189-M376 HydrophobicContact CB-CE 4.31Å; N190-M376 PolarHBondContact N-O 2.97Å; S374-M376 VanDerWaalsContact CB-CE 3.43Å; S374-M376 PolarHBondContact O-N 3.34Å; M376-L390 HydrophobicContact CG-CD1 4.03Å; M376-L390 HydrophobicContact SD-CD1 3.58Å; M376-L390 VanDerWaalsContact SD-CD1 3.58Å; M376-L390 HydrophobicContact SD-CD2 3.94Å; M376-L390 HydrophobicContact SD-CG 4.38Å; M376-V394 HydrophobicContact CB-CG1 4.23Å; M376-V394 HydrophobicContact CG-CG1 4.2Å
377N96.7Very high96.8Very high26 Ų2636.8 Ų36.814%0.13920%0.199CC..  trans-83167.617074.3-25.7000111.7N190 E193 A194 F195 T379N190-N377 CarbonylContact O-C 3.54Å; N190-N377 VanDerWaalsContact O-C 3.29Å; N190-N377 WeakPolarHBondContact O-CA 2.81Å; E193-N377 WeakPolarHBondContact O-CB 3.23Å; E193-N377 PolarHBondContact O-ND2 3.03Å; A194-N377 WeakPolarHBondContact O-CB 3.37Å; F195-N377 HydrophobicContact CD1-CB 3.95Å; F195-N377 HydrophobicContact CD2-CB 4.22Å; F195-N377 HydrophobicContact CE1-CB 3.67Å; F195-N377 HydrophobicContact CE2-CB 3.94Å; F195-N377 HydrophobicContact CG-CB 4.23Å; F195-N377 HydrophobicContact CZ-CB 3.67Å; F195-N377 WeakPolarHBondContact CZ-ND2 3.36Å; F195-N377 WeakPolarHBondContact CZ-OD1 3.48Å; N377-T379 PolarHBondContact O-N 3.44Å; N377-T379 PolarHBondContact O-OG1 3.1Å
378R97Very high97Very high151 Ų15134 Ų3457%0.5717%0.169SC*.SBendtrans48.834.5-179.1-54.7-179.4-173.2-178.51.3112.9N190 G192 E193N190-R378 PolarHBondContact O-N 3.41Å; G192-R378 WeakPolarHBondContact O-CA 3.5Å; G192-R378 WeakPolarHBondContact O-CG 3.46Å; G192-R378 PolarHBondContact O-N 2.84Å; E193-R378 IonicContact OE1-CZ 3.68Å; E193-R378 IonicContact OE1-NE 2.87Å; E193-R378 PolarHBondContact OE1-NE 2.79Å; E193-R378 IonicContact OE1-NH2 3.89Å; E193-R378 PolarHBondContact OE1-NH2 2.64Å; E193-R378 IonicContact OE2-CZ 2.93Å; E193-R378 IonicContact OE2-NE 3.63Å; E193-R378 IonicContact OE2-NH2 2.67Å; E193-R378 PolarHBondContact OE2-NH2 2.73Å
379T97.9Very high97Very high7 Ų734.7 Ų34.74%0.04317%0.172CC..  trans-127.5127.4-172.4-61.90000108.3A189 N190 P191 N377 L390A189-T379 HydrophobicContact CB-CG2 3.88Å; N190-T379 CarbonylContact C-O 3.56Å; N190-T379 VanDerWaalsContact C-O 3.24Å; N190-T379 PolarHBondContact O-N 3.12Å; P191-T379 WeakPolarHBondContact CA-O 3.49Å; N377-T379 PolarHBondContact O-N 3.44Å; N377-T379 PolarHBondContact O-OG1 3.1Å; T379-L390 HydrophobicContact CG2-CD1 4.05Å
380P97.3Very high97Very high61 Ų6133.2 Ų33.240%0.39616%0.162SC..  trans-63.2143.1175.928.7-35.2000110Q123 L382Q123-P380 PolarHBondContact NE2-O 3.39Å; Q123-P380 PolarHBondContact OE1-O 3.05Å; P380-L382 HydrophobicContact CB-CD1 4.34Å; P380-L382 HydrophobicContact CB-CD2 4.49Å; P380-L382 HydrophobicContact CB-CG 4.09Å; P380-L382 HydrophobicContact CG-CD1 3.79Å; P380-L382 HydrophobicContact CG-CG 4.06Å; P380-L382 PolarHBondContact O-N 3.34Å
381I96.1Very high97.1Very high84 Ų8434.6 Ų34.643%0.43117%0.17SC..  trans-76106.1175.8-57.1176.1000107.4A189 P191 L383A189-I381 HydrophobicContact CB-CG1 4.4Å; A189-I381 VanDerWaalsContact O-CG1 3.31Å; A189-I381 WeakPolarHBondContact O-CG1 3.49Å; P191-I381 HydrophobicContact CG-CD1 4.32Å; P191-I381 HydrophobicContact CG-CG1 4.1Å; I381-L383 HydrophobicContact CG2-CD2 3.41Å; I381-L383 VanDerWaalsContact CG2-CD2 3.41Å
382L96.6Very high97.1Very high27 Ų2736.7 Ų36.714%0.14118%0.18CC..  trans-126.67.1-175.8-63.2174.6000113.5P380 H384 D385 E388 H389P380-L382 HydrophobicContact CB-CD1 4.34Å; P380-L382 HydrophobicContact CB-CD2 4.49Å; P380-L382 HydrophobicContact CB-CG 4.09Å; P380-L382 HydrophobicContact CG-CD1 3.79Å; P380-L382 HydrophobicContact CG-CG 4.06Å; P380-L382 PolarHBondContact O-N 3.34Å; L382-H384 PolarHBondContact O-N 2.87Å; L382-D385 HydrophobicContact CD2-CB 4.48Å; L382-D385 WeakPolarHBondContact O-CB 3.44Å; L382-D385 PolarHBondContact O-N 3.13Å; L382-E388 HydrophobicContact CB-CB 4.47Å; L382-E388 HydrophobicContact CB-CG 4.35Å; L382-E388 WeakPolarHBondContact O-CG 3.3Å; L382-H389 WeakPolarHBondContact CD1-CE1 3.35Å; L382-H389 VanDerWaalsContact CD1-ND1 3.35Å; L382-H389 WeakPolarHBondContact CD1-ND1 3.26Å
383L92.8Very high97.1Very high41 Ų4145.7 Ų45.722%0.21521%0.213CC..THydrogen-bonded Turntrans-52.3139.217166137.8000109.9D124 L188 I381 D385D124-L383 HydrophobicContact CB-CB 3.74Å; L188-L383 HydrophobicContact CD2-CD1 4.06Å; L188-L383 HydrophobicContact CD2-CD2 3.49Å; L188-L383 VanDerWaalsContact CD2-CD2 3.49Å; L188-L383 HydrophobicContact CD2-CG 4.42Å; I381-L383 HydrophobicContact CG2-CD2 3.41Å; I381-L383 VanDerWaalsContact CG2-CD2 3.41Å; L383-D385 PolarHBondContact O-N 2.96Å
384H92.9Very high97.1Very high90 Ų9046.8 Ų46.842%0.41722%0.22SC..THydrogen-bonded Turntrans62.5-8.5-176.7-54178.7000115.6V95 R120 D124 E159 L382V95-H384 HydrophobicContact CG2-CB 4.08Å; V95-H384 VanDerWaalsContact CG2-CD2 3.45Å; V95-H384 WeakPolarHBondContact CG2-CD2 3.2Å; R120-H384 VanDerWaalsContact NH1-CA 3.29Å; R120-H384 VanDerWaalsContact NH2-C 3.34Å; R120-H384 PolarHBondContact NH2-O 3.46Å; D124-H384 IonicContact OD2-CD2 2.71Å; D124-H384 PolarHBondContact OD2-CD2 3.4Å; D124-H384 IonicContact OD2-CE1 2.65Å; D124-H384 IonicContact OD2-NE2 2.74Å; D124-H384 PolarHBondContact OD2-NE2 3.03Å; E159-H384 IonicContact OE1-CD2 3.18Å; E159-H384 IonicContact OE1-NE2 3.6Å; E159-H384 PolarHBondContact OE1-NE2 2.73Å; E159-H384 IonicContact OE2-CD2 3.41Å; E159-H384 IonicContact OE2-CE1 3.71Å; E159-H384 PolarHBondContact OE2-CE1 2.82Å; E159-H384 IonicContact OE2-NE2 2.6Å; E159-H384 PolarHBondContact OE2-NE2 2.96Å; L382-H384 PolarHBondContact O-N 2.87Å
385D95.9Very high97.1Very high80 Ų8046.8 Ų46.843%0.42822%0.22SC..SBendtrans-85.7171.5178.8-152-13.9000112.1R120 L382 L383R120-D385 PolarHBondContact NH1-O 3.35Å; R120-D385 VanDerWaalsContact NH1-O 3.1Å; R120-D385 PolarHBondContact NH2-O 3.09Å; L382-D385 HydrophobicContact CD2-CB 4.48Å; L382-D385 WeakPolarHBondContact O-CB 3.44Å; L382-D385 PolarHBondContact O-N 3.13Å; L383-D385 PolarHBondContact O-N 2.96Å
386H96.1Very high97.2Very high62 Ų6248.7 Ų48.729%0.28723%0.23SC..THydrogen-bonded Turntrans-69.8146.1170.8-55.3-47000111.1Y98 H101 W102 E388Y98-H386 AromaticContact CD2-CE1 3.99Å; H101-H386 HydrophobicContact CB-CB 4.41Å; H101-H386 AromaticContact CD2-CE1 3.65Å; H101-H386 AromaticContact CD2-NE2 3.56Å; H101-H386 AromaticContact CG-CE1 3.97Å; H101-H386 AromaticContact CG-NE2 3.82Å; W102-H386 AromaticContact NE1-ND1 3.96Å; H386-E388 PolarHBondContact O-N 3.46Å
387N97.6Very high97.2Very high28 Ų2852.5 Ų52.515%0.1525%0.25CS..THydrogen-bonded Turntrans57.532177.4-50.3-68.3000113H101 W102 K103 F118 H389H101-N387 PolarHBondContact O-ND2 3.3Å; W102-N387 WeakPolarHBondContact CA-OD1 3.3Å; K103-N387 WeakPolarHBondContact CB-OD1 3.5Å; K103-N387 VanDerWaalsContact CG-OD1 3.31Å; K103-N387 WeakPolarHBondContact CG-OD1 3.31Å; K103-N387 PolarHBondContact N-OD1 3.19Å; F118-N387 HydrophobicContact CD1-CB 4.21Å; F118-N387 HydrophobicContact CE1-CB 4.35Å; N387-H389 PolarHBondContact O-N 2.89Å; N387-H389 PolarHBondContact O-ND1 3.3Å
388E98.6Very high97.3Very high0 Ų051.3 Ų51.30%024%0.244CC..  trans-48.3125.8167.3-169.5-165.7147.800108.8W102 F118 A119 R120 G121 S122 Q123 D124 L382 H386W102-E388 HydrophobicContact CH2-CB 3.84Å; F118-E388 WeakPolarHBondContact CA-O 3.3Å; A119-E388 PolarHBondContact N-O 3Å; R120-E388 WeakPolarHBondContact CD-OE2 3.36Å; R120-E388 IonicContact CZ-OE2 2.88Å; R120-E388 IonicContact NE-OE2 2.83Å; R120-E388 IonicContact NH1-OE2 3.54Å; R120-E388 PolarHBondContact NH1-OE2 3.2Å; G121-E388 WeakPolarHBondContact CA-OE1 3.35Å; G121-E388 VanDerWaalsContact N-CD 3.34Å; G121-E388 PolarHBondContact N-OE1 2.94Å; G121-E388 PolarHBondContact N-OE2 3.24Å; S122-E388 PolarHBondContact N-OE1 3.38Å; S122-E388 VanDerWaalsContact OG-C 3.28Å; S122-E388 WeakPolarHBondContact OG-CG 3.19Å; S122-E388 PolarHBondContact OG-O 2.59Å; Q123-E388 HydrophobicContact CB-CG 4.22Å; Q123-E388 HydrophobicContact CG-CG 4.22Å; Q123-E388 PolarHBondContact N-OE1 3.04Å; D124-E388 PolarHBondContact N-OE1 2.94Å; L382-E388 HydrophobicContact CB-CB 4.47Å; L382-E388 HydrophobicContact CB-CG 4.35Å; L382-E388 WeakPolarHBondContact O-CG 3.3Å; H386-E388 PolarHBondContact O-N 3.46Å
389H98.6Very high97.4Very high36 Ų3644.1 Ų44.117%0.16722%0.217CC..EExtended strand (participates in β ladder)trans-148.2156.6178.863.8-82.6000111N116 I117 F118 S122 Q123 L382 N387N116-H389 HydrophobicContact CB-CB 4.38Å; I117-H389 WeakPolarHBondContact O-CA 3.06Å; I117-H389 WeakPolarHBondContact O-CB 3.48Å; F118-H389 HydrophobicContact CD1-CB 3.66Å; F118-H389 HydrophobicContact CE1-CB 3.87Å; F118-H389 AromaticContact CE1-CG 3.79Å; F118-H389 AromaticContact CE1-ND1 3.63Å; F118-H389 HydrophobicContact CG-CB 4.04Å; F118-H389 HydrophobicContact CZ-CB 4.43Å; S122-H389 WeakPolarHBondContact OG-CA 3.35Å; S122-H389 PolarHBondContact OG-N 2.73Å; Q123-H389 PolarHBondContact NE2-O 3.01Å; L382-H389 WeakPolarHBondContact CD1-CE1 3.35Å; L382-H389 VanDerWaalsContact CD1-ND1 3.35Å; L382-H389 WeakPolarHBondContact CD1-ND1 3.26Å; N387-H389 PolarHBondContact O-N 2.89Å; N387-H389 PolarHBondContact O-ND1 3.3Å
390L98.6Very high97.5Very high0 Ų044.8 Ų44.80%023%0.225CC..EExtended strand (participates in β ladder)trans-129.8132.1168.4-174.261.6000109.2F27 I117 S122 C127 M376 T379 V394 F395F27-L390 HydrophobicContact CE1-CD2 4.49Å; I117-L390 PolarHBondContact N-O 3.42Å; I117-L390 PolarHBondContact O-N 3.28Å; S122-L390 VanDerWaalsContact O-CB 3.32Å; S122-L390 WeakPolarHBondContact O-CB 3.29Å; S122-L390 WeakPolarHBondContact O-CD2 3.39Å; C127-L390 HydrophobicContact CB-CD2 3.59Å; M376-L390 HydrophobicContact CG-CD1 4.03Å; M376-L390 HydrophobicContact SD-CD1 3.58Å; M376-L390 VanDerWaalsContact SD-CD1 3.58Å; M376-L390 HydrophobicContact SD-CD2 3.94Å; M376-L390 HydrophobicContact SD-CG 4.38Å; T379-L390 HydrophobicContact CG2-CD1 4.05Å; L390-V394 HydrophobicContact CD1-CB 3.99Å; L390-V394 HydrophobicContact CD1-CG1 3.74Å; L390-F395 HydrophobicContact CD2-CB 3.83Å; L390-F395 HydrophobicContact CD2-CD2 4.38Å; L390-F395 HydrophobicContact CG-CB 4.25Å
391N98.6Very high97.5Very high30 Ų3042 Ų4216%0.1621%0.207CC..EExtended strand (participates in β ladder)trans-69.6135.2175.5-169-86.2000110.1E114 G115 N116 R393 V394 F395E114-N391 PolarHBondContact O-ND2 3.03Å; G115-N391 WeakPolarHBondContact O-CA 3.49Å; N116-N391 PolarHBondContact OD1-ND2 3.43Å; N391-R393 PolarHBondContact O-N 2.85Å; N391-R393 VanDerWaalsContact O-N 3.12Å; N391-R393 WeakPolarHBondContact OD1-CB 3.49Å; N391-R393 PolarHBondContact OD1-N 3.42Å; N391-V394 HydrophobicContact CB-CG2 4.18Å; N391-V394 WeakPolarHBondContact O-CB 3.37Å; N391-V394 PolarHBondContact O-N 2.94Å; N391-F395 PolarHBondContact O-N 2.93Å
392E98.4Very high97.7Very high43 Ų4338 Ų3820%0.20119%0.187CC..Hα-helixtrans-57.2-32-176.973-175.8151.100112.7V24 K111 G115 I117 F395 L396V24-E392 HydrophobicContact CG1-CB 4.42Å; V24-E392 HydrophobicContact CG2-CB 3.91Å; K111-E392 IonicContact NZ-OE1 3.25Å; K111-E392 IonicContact NZ-OE2 3.82Å; K111-E392 PolarHBondContact NZ-OE2 3.35Å; G115-E392 PolarHBondContact O-N 2.79Å; I117-E392 HydrophobicContact CD1-CB 4.08Å; E392-F395 PolarHBondContact O-N 3.44Å; E392-L396 VanDerWaalsContact O-CB 3.31Å; E392-L396 WeakPolarHBondContact O-CB 3.33Å; E392-L396 WeakPolarHBondContact O-CG 3.4Å; E392-L396 PolarHBondContact O-N 3.43Å
393R98.3Very high97.7Very high190 Ų19038.5 Ų38.572%0.71719%0.188SC*.Hα-helixtrans-67.7-40.1177.4-61.8177.5-176.8160.13.7111.7N391 N397N391-R393 PolarHBondContact O-N 2.85Å; N391-R393 VanDerWaalsContact O-N 3.12Å; N391-R393 WeakPolarHBondContact OD1-CB 3.49Å; N391-R393 PolarHBondContact OD1-N 3.42Å; R393-N397 VanDerWaalsContact O-CB 3.28Å; R393-N397 WeakPolarHBondContact O-CB 3.43Å; R393-N397 PolarHBondContact O-N 2.9Å
394V98.5Very high98Very high24 Ų2442.3 Ų42.315%0.14520%0.2CC..Hα-helixtrans-66.7-46.1175.8179.80000109.4M376 L390 N391 L396 N397 G398M376-V394 HydrophobicContact CB-CG1 4.23Å; M376-V394 HydrophobicContact CG-CG1 4.2Å; L390-V394 HydrophobicContact CD1-CB 3.99Å; L390-V394 HydrophobicContact CD1-CG1 3.74Å; N391-V394 HydrophobicContact CB-CG2 4.18Å; N391-V394 WeakPolarHBondContact O-CB 3.37Å; N391-V394 PolarHBondContact O-N 2.94Å; V394-L396 PolarHBondContact O-N 3.18Å; V394-N397 PolarHBondContact O-N 3.48Å; V394-G398 PolarHBondContact O-N 2.76Å
395F98.8Very high98.3Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-55.6-50.7175.2168.5-102.8000112.1S23 V24 F27 C127 I130 Q131 L390 N391 E392 G398 I399S23-F395 WeakPolarHBondContact O-CE1 3.12Å; V24-F395 HydrophobicContact CG2-CD1 4.1Å; V24-F395 HydrophobicContact CG2-CE1 4.31Å; F27-F395 HydrophobicContact CB-CE1 3.92Å; F27-F395 HydrophobicContact CB-CE2 3.92Å; F27-F395 HydrophobicContact CB-CZ 3.53Å; F27-F395 HydrophobicContact CD1-CD1 4.07Å; F27-F395 AromaticContact CD1-CD2 3.68Å; F27-F395 HydrophobicContact CD1-CD2 3.68Å; F27-F395 HydrophobicContact CD1-CE1 4.18Å; F27-F395 AromaticContact CD1-CE2 3.79Å; F27-F395 HydrophobicContact CD1-CE2 3.79Å; F27-F395 AromaticContact CD1-CG 3.83Å; F27-F395 HydrophobicContact CD1-CG 3.83Å; F27-F395 HydrophobicContact CD1-CZ 4.05Å; F27-F395 HydrophobicContact CD2-CE2 4.17Å; F27-F395 HydrophobicContact CE1-CB 4.49Å; F27-F395 AromaticContact CE1-CD2 3.86Å; F27-F395 HydrophobicContact CE1-CD2 3.86Å; F27-F395 HydrophobicContact CE1-CE2 4.32Å; F27-F395 HydrophobicContact CE1-CG 4.11Å; F27-F395 HydrophobicContact CG-CD2 4.08Å; F27-F395 HydrophobicContact CG-CE1 4.33Å; F27-F395 AromaticContact CG-CE2 3.7Å; F27-F395 HydrophobicContact CG-CE2 3.7Å; F27-F395 AromaticContact CG-CZ 3.86Å; F27-F395 HydrophobicContact CG-CZ 3.86Å; F27-F395 HydrophobicContact CZ-CD2 4.41Å; C127-F395 HydrophobicContact CB-CD2 4.17Å; I130-F395 HydrophobicContact CB-CE2 4.14Å; I130-F395 HydrophobicContact CB-CZ 4.18Å; I130-F395 HydrophobicContact CG2-CE2 4.2Å; I130-F395 HydrophobicContact CG2-CZ 3.72Å; Q131-F395 HydrophobicContact CG-CD2 3.85Å; Q131-F395 HydrophobicContact CG-CE2 3.68Å; Q131-F395 HydrophobicContact CG-CZ 4.5Å; Q131-F395 PolarHBondContact NE2-O 2.98Å; L390-F395 HydrophobicContact CD2-CB 3.83Å; L390-F395 HydrophobicContact CD2-CD2 4.38Å; L390-F395 HydrophobicContact CG-CB 4.25Å; N391-F395 PolarHBondContact O-N 2.93Å; E392-F395 PolarHBondContact O-N 3.44Å; F395-G398 PolarHBondContact O-N 2.9Å; F395-I399 HydrophobicContact CE1-CD1 3.96Å; F395-I399 HydrophobicContact CZ-CD1 4.12Å; F395-I399 PolarHBondContact O-N 3.48Å
396L98.7Very high98.4Very high41 Ų4134.2 Ų34.222%0.21516%0.16CC..Hα-helixtrans-65.8-38.7-179.9-72.4170.8000112.6D21 V24 E392 V394 G398 I399 G400D21-L396 HydrophobicContact CB-CD1 4.29Å; D21-L396 HydrophobicContact CB-CD2 4.31Å; V24-L396 HydrophobicContact CG2-CD1 4.07Å; V24-L396 HydrophobicContact CG2-CD2 4.07Å; V24-L396 HydrophobicContact CG2-CG 4.02Å; E392-L396 VanDerWaalsContact O-CB 3.31Å; E392-L396 WeakPolarHBondContact O-CB 3.33Å; E392-L396 WeakPolarHBondContact O-CG 3.4Å; E392-L396 PolarHBondContact O-N 3.43Å; V394-L396 PolarHBondContact O-N 3.18Å; L396-G398 VanDerWaalsContact C-N 3.29Å; L396-G398 PolarHBondContact O-N 3.05Å; L396-I399 HydrophobicContact CD2-CD1 3.92Å; L396-I399 WeakPolarHBondContact O-CB 3.41Å; L396-I399 PolarHBondContact O-N 2.98Å; L396-G400 PolarHBondContact O-N 3.14Å
397N98.4Very high98.5Very high82 Ų8232.6 Ų32.644%0.43916%0.155SC..Hα-helixtrans-60.6-41.3173.9-175.448.2000111.1R393 V394 I399 G400 V401R393-N397 VanDerWaalsContact O-CB 3.28Å; R393-N397 WeakPolarHBondContact O-CB 3.43Å; R393-N397 PolarHBondContact O-N 2.9Å; V394-N397 PolarHBondContact O-N 3.48Å; N397-I399 VanDerWaalsContact C-N 3.26Å; N397-I399 PolarHBondContact O-N 2.87Å; N397-G400 WeakPolarHBondContact O-CA 3.34Å; N397-G400 PolarHBondContact O-N 2.87Å; N397-V401 PolarHBondContact O-N 3.04Å
398G98.5Very high98.6Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-59.5-33.7176.400000114.1V394 F395 L396 G400 V401 Y402V394-G398 PolarHBondContact O-N 2.76Å; F395-G398 PolarHBondContact O-N 2.9Å; L396-G398 VanDerWaalsContact C-N 3.29Å; L396-G398 PolarHBondContact O-N 3.05Å; G398-G400 VanDerWaalsContact C-N 3.33Å; G398-G400 PolarHBondContact O-N 2.81Å; G398-V401 PolarHBondContact O-N 3.18Å; G398-Y402 VanDerWaalsContact O-CD2 3.26Å; G398-Y402 WeakPolarHBondContact O-CD2 3.43Å; G398-Y402 PolarHBondContact O-N 2.84Å
399I98.8Very high98.6Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-59.5-46.8171-52.2175.2000110.3Q131 Q134 A135 F395 L396 N397 V401 Y402 E403Q131-I399 HydrophobicContact CB-CG1 4.26Å; Q131-I399 HydrophobicContact CG-CG1 3.9Å; Q134-I399 HydrophobicContact CB-CD1 3.86Å; Q134-I399 HydrophobicContact CB-CG1 4.21Å; Q134-I399 HydrophobicContact CB-CG2 3.68Å; Q134-I399 HydrophobicContact CG-CD1 4.18Å; A135-I399 HydrophobicContact CB-CG2 4.37Å; F395-I399 HydrophobicContact CE1-CD1 3.96Å; F395-I399 HydrophobicContact CZ-CD1 4.12Å; F395-I399 PolarHBondContact O-N 3.48Å; L396-I399 HydrophobicContact CD2-CD1 3.92Å; L396-I399 WeakPolarHBondContact O-CB 3.41Å; L396-I399 PolarHBondContact O-N 2.98Å; N397-I399 VanDerWaalsContact C-N 3.26Å; N397-I399 PolarHBondContact O-N 2.87Å; I399-V401 VanDerWaalsContact C-N 3.31Å; I399-V401 PolarHBondContact O-N 3.43Å; I399-Y402 PolarHBondContact O-N 2.9Å; I399-E403 WeakPolarHBondContact O-CB 3.14Å; I399-E403 PolarHBondContact O-N 2.95Å
400G98.6Very high98.5Very high22 Ų2230.7 Ų30.723%0.22715%0.149CC..Hα-helixtrans-64.6-33.1178.200000113.2L396 N397 G398 R404L396-G400 PolarHBondContact O-N 3.14Å; N397-G400 WeakPolarHBondContact O-CA 3.34Å; N397-G400 PolarHBondContact O-N 2.87Å; G398-G400 VanDerWaalsContact C-N 3.33Å; G398-G400 PolarHBondContact O-N 2.81Å; G400-R404 PolarHBondContact O-N 3.28Å
401V98.7Very high98.5Very high3 Ų334.4 Ų34.42%0.01817%0.172CC..Hα-helixtrans-63.3-49.7172.9176.10000110.4L345 M347 F373 P375 N397 G398 I399 E403 R404 L405L345-V401 HydrophobicContact CD1-CB 4.3Å; L345-V401 HydrophobicContact CD1-CG1 4.22Å; L345-V401 HydrophobicContact CD1-CG2 4.14Å; M347-V401 HydrophobicContact CE-CG1 4.03Å; M347-V401 HydrophobicContact CE-CG2 4.12Å; M347-V401 HydrophobicContact SD-CG1 4Å; M347-V401 HydrophobicContact SD-CG2 4.04Å; F373-V401 HydrophobicContact CE1-CG1 3.9Å; F373-V401 HydrophobicContact CZ-CG1 4.29Å; P375-V401 HydrophobicContact CB-CB 4.01Å; P375-V401 HydrophobicContact CB-CG1 4.07Å; P375-V401 HydrophobicContact CB-CG2 3.99Å; P375-V401 HydrophobicContact CG-CB 4.47Å; N397-V401 PolarHBondContact O-N 3.04Å; G398-V401 PolarHBondContact O-N 3.18Å; I399-V401 VanDerWaalsContact C-N 3.31Å; I399-V401 PolarHBondContact O-N 3.43Å; V401-E403 VanDerWaalsContact C-N 3.32Å; V401-E403 PolarHBondContact O-N 2.94Å; V401-R404 WeakPolarHBondContact O-CB 3.19Å; V401-R404 PolarHBondContact O-N 3.47Å; V401-L405 HydrophobicContact CG1-CD1 3.81Å; V401-L405 HydrophobicContact CG1-CG 4.2Å; V401-L405 PolarHBondContact O-N 2.92Å
402Y98.8Very high98.4Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-68.8-29.9179.4-70.6-54.8000113.9V128 Q131 Y132 L184 F373 P375 G398 I399 R404 L405 I406V128-Y402 HydrophobicContact CG1-CE2 4.3Å; Q131-Y402 HydrophobicContact CB-CD2 3.75Å; Q131-Y402 HydrophobicContact CB-CE2 3.98Å; Y132-Y402 AromaticContact CD1-CD1 3.98Å; Y132-Y402 HydrophobicContact CD1-CD1 3.98Å; Y132-Y402 AromaticContact CD1-CD2 3.9Å; Y132-Y402 HydrophobicContact CD1-CD2 3.9Å; Y132-Y402 HydrophobicContact CD1-CE1 4.14Å; Y132-Y402 AromaticContact CD1-CE2 3.98Å; Y132-Y402 HydrophobicContact CD1-CE2 3.98Å; Y132-Y402 AromaticContact CD1-CG 3.85Å; Y132-Y402 HydrophobicContact CD1-CG 3.85Å; Y132-Y402 AromaticContact CE1-CD1 3.54Å; Y132-Y402 HydrophobicContact CE1-CD1 3.54Å; Y132-Y402 AromaticContact CE1-CD2 3.96Å; Y132-Y402 HydrophobicContact CE1-CD2 3.96Å; Y132-Y402 AromaticContact CE1-CE1 3.3Å; Y132-Y402 HydrophobicContact CE1-CE1 3.3Å; Y132-Y402 AromaticContact CE1-CE2 3.68Å; Y132-Y402 HydrophobicContact CE1-CE2 3.68Å; Y132-Y402 AromaticContact CE1-CG 3.87Å; Y132-Y402 HydrophobicContact CE1-CG 3.87Å; Y132-Y402 AromaticContact CE1-CZ 3.31Å; Y132-Y402 AromaticContact CZ-CZ 3.91Å; Y132-Y402 PolarHBondContact OH-OH 3.37Å; L184-Y402 HydrophobicContact CD1-CD1 4.41Å; L184-Y402 HydrophobicContact CD1-CE1 4.1Å; F373-Y402 HydrophobicContact CD1-CE1 4.02Å; F373-Y402 HydrophobicContact CE1-CE1 4.41Å; F373-Y402 PolarHBondContact O-OH 3.09Å; P375-Y402 HydrophobicContact CG-CD2 4.34Å; P375-Y402 HydrophobicContact CG-CE2 3.78Å; G398-Y402 VanDerWaalsContact O-CD2 3.26Å; G398-Y402 WeakPolarHBondContact O-CD2 3.43Å; G398-Y402 PolarHBondContact O-N 2.84Å; I399-Y402 PolarHBondContact O-N 2.9Å; Y402-R404 PolarHBondContact O-N 2.89Å; Y402-L405 HydrophobicContact CD1-CB 4.38Å; Y402-L405 HydrophobicContact CD1-CD1 3.79Å; Y402-L405 HydrophobicContact CE1-CD1 3.93Å; Y402-L405 PolarHBondContact O-N 3.21Å; Y402-I406 WeakPolarHBondContact O-CB 3.28Å; Y402-I406 VanDerWaalsContact O-CG1 3.3Å; Y402-I406 WeakPolarHBondContact O-CG1 3.44Å; Y402-I406 PolarHBondContact O-N 3.23Å
403E98.3Very high98.1Very high37 Ų3736.2 Ų36.217%0.17319%0.189CC..Hα-helixtrans-59.3-23.8170.3-172.3170.8-168.600112.3A135 R138 L139 Q142 I399 V401 P407A135-E403 HydrophobicContact CB-CB 4.42Å; R138-E403 WeakPolarHBondContact CD-OE2 3.27Å; R138-E403 IonicContact NH1-OE2 3.46Å; L139-E403 HydrophobicContact CD2-CG 4.01Å; L139-E403 HydrophobicContact CG-CG 4.18Å; Q142-E403 PolarHBondContact NE2-OE1 3.19Å; I399-E403 WeakPolarHBondContact O-CB 3.14Å; I399-E403 PolarHBondContact O-N 2.95Å; V401-E403 VanDerWaalsContact C-N 3.32Å; V401-E403 PolarHBondContact O-N 2.94Å; E403-P407 WeakPolarHBondContact O-CD 3.35Å; E403-P407 VanDerWaalsContact O-CG 3.29Å; E403-P407 WeakPolarHBondContact O-CG 3.27Å
404R98.4Very high97.7Very high120 Ų12029.4 Ų29.445%0.45317%0.173SC..Hα-helixtrans-94.9-36.7173-63.2-62.6-62.9-84.6-9.2113.8S344 L345 G400 V401 Y402 A408S344-R404 PolarHBondContact OG-NH2 3.28Å; L345-R404 HydrophobicContact CD1-CB 4.03Å; L345-R404 HydrophobicContact CD1-CG 4.16Å; L345-R404 HydrophobicContact CD2-CG 4.06Å; L345-R404 HydrophobicContact CG-CG 4.37Å; G400-R404 PolarHBondContact O-N 3.28Å; V401-R404 WeakPolarHBondContact O-CB 3.19Å; V401-R404 PolarHBondContact O-N 3.47Å; Y402-R404 PolarHBondContact O-N 2.89Å; R404-A408 PolarHBondContact O-N 3.33Å
405L98.7Very high97.1Very high0 Ų030.3 Ų30.30%018%0.18CC..Hα-helixtrans-68.6-43.3179.8-72.1176.6000112.5F338 A341 F373 V401 Y402 A408 L409F338-L405 HydrophobicContact CD2-CD1 4.26Å; F338-L405 HydrophobicContact CD2-CD2 3.69Å; F338-L405 HydrophobicContact CE2-CD1 3.79Å; F338-L405 HydrophobicContact CE2-CD2 3.95Å; F338-L405 HydrophobicContact CG-CD2 4.36Å; A341-L405 HydrophobicContact CB-CD2 3.77Å; F373-L405 HydrophobicContact CD1-CD1 3.98Å; F373-L405 HydrophobicContact CE1-CD1 3.66Å; V401-L405 HydrophobicContact CG1-CD1 3.81Å; V401-L405 HydrophobicContact CG1-CG 4.2Å; V401-L405 PolarHBondContact O-N 2.92Å; Y402-L405 HydrophobicContact CD1-CB 4.38Å; Y402-L405 HydrophobicContact CD1-CD1 3.79Å; Y402-L405 HydrophobicContact CE1-CD1 3.93Å; Y402-L405 PolarHBondContact O-N 3.21Å; L405-A408 PolarHBondContact O-N 3.3Å; L405-A408 VanDerWaalsContact O-N 3.14Å; L405-L409 WeakPolarHBondContact O-CB 3.11Å; L405-L409 WeakPolarHBondContact O-CG 3.3Å; L405-L409 PolarHBondContact O-N 2.76Å
406I98.8Very high96Very high1 Ų136 Ų361%0.00522%0.218CC..Hα-helixtrans-59-49.1-177.3-67.3166.7000111L88 A135 V136 L139 W144 V150 Y402 A408 T410L88-I406 HydrophobicContact CD1-CD1 3.73Å; L88-I406 HydrophobicContact CD1-CG1 4Å; L88-I406 HydrophobicContact CD2-CG1 4.46Å; A135-I406 HydrophobicContact CB-CD1 3.91Å; V136-I406 HydrophobicContact CG2-CD1 4Å; L139-I406 HydrophobicContact CD1-CB 4.04Å; L139-I406 HydrophobicContact CD1-CD1 4.44Å; L139-I406 HydrophobicContact CD1-CG2 3.94Å; W144-I406 HydrophobicContact CH2-CG2 4.33Å; W144-I406 HydrophobicContact CZ3-CG2 4.3Å; V150-I406 HydrophobicContact CG2-CG2 4.34Å; Y402-I406 WeakPolarHBondContact O-CB 3.28Å; Y402-I406 VanDerWaalsContact O-CG1 3.3Å; Y402-I406 WeakPolarHBondContact O-CG1 3.44Å; Y402-I406 PolarHBondContact O-N 3.23Å; I406-A408 PolarHBondContact O-N 3.47Å; I406-T410 HydrophobicContact CG2-CG2 4.3Å; I406-T410 WeakPolarHBondContact O-CB 3.46Å; I406-T410 WeakPolarHBondContact O-CG2 3.31Å; I406-T410 PolarHBondContact O-N 3.19Å; I406-T410 PolarHBondContact O-OG1 3.41Å
407P98.6Very high94.9Very high28 Ų2841.8 Ų41.818%0.18225%0.248CC..Hα-helixtrans-61.9-37.7174.2-26.436.6000114.3L139 W144 E403 T410 T411L139-P407 HydrophobicContact CD1-CG 4.13Å; L139-P407 HydrophobicContact CD2-CG 3.83Å; W144-P407 HydrophobicContact CH2-CB 4.17Å; W144-P407 HydrophobicContact CH2-CG 4.13Å; W144-P407 HydrophobicContact CZ2-CB 3.61Å; W144-P407 HydrophobicContact CZ2-CG 3.91Å; E403-P407 WeakPolarHBondContact O-CD 3.35Å; E403-P407 VanDerWaalsContact O-CG 3.29Å; E403-P407 WeakPolarHBondContact O-CG 3.27Å; P407-T410 PolarHBondContact O-OG1 3.42Å; P407-T411 WeakPolarHBondContact O-CB 3.41Å; P407-T411 VanDerWaalsContact O-CG2 3.24Å; P407-T411 WeakPolarHBondContact O-CG2 3.33Å; P407-T411 PolarHBondContact O-N 2.95Å; P407-T411 PolarHBondContact O-OG1 3.41Å
408A98.4Very high93.8Very high23 Ų2339.6 Ų39.619%0.1924%0.236CC..Hα-helixtrans-66.5-46.8179.700000111.7A341 R404 L405 I406 T411A341-A408 HydrophobicContact CB-CB 3.67Å; R404-A408 PolarHBondContact O-N 3.33Å; L405-A408 PolarHBondContact O-N 3.3Å; L405-A408 VanDerWaalsContact O-N 3.14Å; I406-A408 PolarHBondContact O-N 3.47Å; A408-T411 PolarHBondContact O-N 3.41Å; A408-T411 PolarHBondContact O-OG1 2.88Å; A408-T411 VanDerWaalsContact O-OG1 3.09Å
409L98.5Very high91.8Very high0 Ų046.2 Ų46.20%029%0.29CS..Hα-helixtrans-68.5-40.7-179.7-68.5170.1000111.8V86 F182 L184 W334 F338 L405 T411 V412V86-L409 HydrophobicContact CG1-CB 4.3Å; V86-L409 HydrophobicContact CG1-CD1 4.46Å; V86-L409 HydrophobicContact CG2-CB 4.14Å; F182-L409 HydrophobicContact CD1-CD1 4.25Å; F182-L409 HydrophobicContact CD1-CD2 3.9Å; F182-L409 HydrophobicContact CE1-CD1 3.9Å; F182-L409 HydrophobicContact CE1-CD2 3.65Å; F182-L409 HydrophobicContact CE1-CG 4.42Å; F182-L409 HydrophobicContact CZ-CD2 4.33Å; L184-L409 HydrophobicContact CD1-CD1 3.67Å; L184-L409 HydrophobicContact CD2-CD1 4.44Å; L184-L409 HydrophobicContact CG-CD1 4.02Å; W334-L409 HydrophobicContact CE3-CD2 4.23Å; W334-L409 VanDerWaalsContact CZ3-O 3.27Å; W334-L409 WeakPolarHBondContact CZ3-O 3.39Å; F338-L409 HydrophobicContact CB-CD2 4.2Å; L405-L409 WeakPolarHBondContact O-CB 3.11Å; L405-L409 WeakPolarHBondContact O-CG 3.3Å; L405-L409 PolarHBondContact O-N 2.76Å; L409-T411 PolarHBondContact O-N 3.3Å; L409-V412 WeakPolarHBondContact O-CB 3.5Å; L409-V412 VanDerWaalsContact O-CG2 3.28Å; L409-V412 WeakPolarHBondContact O-CG2 3.33Å; L409-V412 PolarHBondContact O-N 2.89Å
410T98.1Very high91.4Very high0 Ų048.5 Ų48.50%031%0.305CS..Hα-helixtrans-74.5-9-178.657.20000113.9V86 W144 P146 T147 R148 V150 I406 P407V86-T410 HydrophobicContact CB-CG2 4.33Å; V86-T410 HydrophobicContact CG2-CG2 4.03Å; W144-T410 VanDerWaalsContact CH2-OG1 3.26Å; W144-T410 WeakPolarHBondContact CH2-OG1 3.43Å; P146-T410 HydrophobicContact CB-CG2 3.95Å; T147-T410 WeakPolarHBondContact CB-O 3.41Å; R148-T410 WeakPolarHBondContact CG-O 3.5Å; R148-T410 PolarHBondContact N-O 2.74Å; V150-T410 HydrophobicContact CG2-CG2 3.28Å; I406-T410 HydrophobicContact CG2-CG2 4.3Å; I406-T410 WeakPolarHBondContact O-CB 3.46Å; I406-T410 WeakPolarHBondContact O-CG2 3.31Å; I406-T410 PolarHBondContact O-N 3.19Å; I406-T410 PolarHBondContact O-OG1 3.41Å; P407-T410 PolarHBondContact O-OG1 3.42Å
411T96.9Very high91Very high79 Ų7949.9 Ų49.949%0.48531%0.309SS..THydrogen-bonded Turntrans-103.83.6175.855.40000113.4P407 A408 L409P407-T411 WeakPolarHBondContact O-CB 3.41Å; P407-T411 VanDerWaalsContact O-CG2 3.24Å; P407-T411 WeakPolarHBondContact O-CG2 3.33Å; P407-T411 PolarHBondContact O-N 2.95Å; P407-T411 PolarHBondContact O-OG1 3.41Å; A408-T411 PolarHBondContact O-N 3.41Å; A408-T411 PolarHBondContact O-OG1 2.88Å; A408-T411 VanDerWaalsContact O-OG1 3.09Å; L409-T411 PolarHBondContact O-N 3.3Å
412V96.8Very high90.6Very high8 Ų852.5 Ų52.55%0.04833%0.325CS..PPolyproline II helixtrans-51.8127.2172.4170.90000109.8R148 P333 W334 A337 L409R148-V412 VanDerWaalsContact CZ-O 3.28Å; R148-V412 PolarHBondContact NE-O 3.01Å; R148-V412 PolarHBondContact NH2-O 3Å; P333-V412 HydrophobicContact CB-CG1 3.91Å; W334-V412 HydrophobicContact CD2-CB 4.49Å; W334-V412 HydrophobicContact CD2-CG1 4.1Å; W334-V412 HydrophobicContact CD2-CG2 4.33Å; W334-V412 HydrophobicContact CE3-CB 3.99Å; W334-V412 HydrophobicContact CE3-CG1 4.11Å; W334-V412 HydrophobicContact CE3-CG2 3.65Å; W334-V412 HydrophobicContact CH2-CB 4.24Å; W334-V412 HydrophobicContact CH2-CG1 4.39Å; W334-V412 HydrophobicContact CZ2-CG1 4.38Å; W334-V412 HydrophobicContact CZ3-CB 3.86Å; W334-V412 HydrophobicContact CZ3-CG1 4.26Å; W334-V412 HydrophobicContact CZ3-CG2 3.88Å; A337-V412 HydrophobicContact CB-CG2 3.45Å; A337-V412 VanDerWaalsContact CB-CG2 3.45Å; L409-V412 WeakPolarHBondContact O-CB 3.5Å; L409-V412 VanDerWaalsContact O-CG2 3.28Å; L409-V412 WeakPolarHBondContact O-CG2 3.33Å; L409-V412 PolarHBondContact O-N 2.89Å
413P92Very high90.1Very high103 Ų10355.6 Ų55.667%0.66934%0.344SS*.PPolyproline II helixtrans-55.6153.4-179.3-26.434.9000112.9R148 S415R148-P413 VanDerWaalsContact NH2-C 3.28Å; R148-P413 PolarHBondContact NH2-O 2.8Å; P413-S415 PolarHBondContact O-N 3.35Å
414A91.5Very high89.6Confident47 Ų4756.8 Ų56.839%0.38836%0.355SS..PPolyproline II helixtrans-59.9134.3173.500000110L83 E418L83-A414 HydrophobicContact CD2-CB 3.76Å; A414-E418 WeakPolarHBondContact CA-OE2 3.45Å; A414-E418 HydrophobicContact CB-CB 4.09Å
415S84.2Confident89Confident42 Ų4252.5 Ų52.529%0.29435%0.348SS..PPolyproline II helixtrans-70.3161.1167.471.40000109.6P413 D417 E418 A419P413-S415 PolarHBondContact O-N 3.35Å; S415-D417 PolarHBondContact O-N 3.25Å; S415-D417 VanDerWaalsContact O-N 3.11Å; S415-E418 WeakPolarHBondContact O-CB 3.41Å; S415-E418 PolarHBondContact O-N 3.12Å; S415-E418 WeakPolarHBondContact OG-CG 3.14Å; S415-A419 PolarHBondContact O-N 2.88Å
416P76.9Confident88.4Confident121 Ų12156.3 Ų56.379%0.78637%0.373SS*.THydrogen-bonded Turntrans-54.8-29175.9-26.935.9000113.8E418P416-E418 VanDerWaalsContact C-N 3.31Å
417D74.9Confident87.6Confident161 Ų16160.5 Ų60.586%0.86140%0.401SS*.THydrogen-bonded Turntrans-82.5-7.7179.2-57-37.6000113.3S415S415-D417 PolarHBondContact O-N 3.25Å; S415-D417 VanDerWaalsContact O-N 3.11Å
418E76.1Confident86.6Confident37 Ų3763.3 Ų63.317%0.17342%0.42CS..THydrogen-bonded Turntrans-102.6-14.6176.3-71.8175.8-170.400113.8L83 K84 R148 A414 S415 P416L83-E418 HydrophobicContact CD2-CB 4.41Å; K84-E418 WeakPolarHBondContact CB-OE1 3.21Å; K84-E418 VanDerWaalsContact CG-CD 3.48Å; K84-E418 HydrophobicContact CG-CG 3.72Å; K84-E418 WeakPolarHBondContact CG-OE1 3.48Å; R148-E418 IonicContact CZ-OE2 3.47Å; R148-E418 VanDerWaalsContact CZ-OE2 3.25Å; R148-E418 IonicContact NH1-OE1 3.78Å; R148-E418 PolarHBondContact NH1-OE1 2.8Å; R148-E418 IonicContact NH1-OE2 3.96Å; R148-E418 PolarHBondContact NH1-OE2 2.95Å; R148-E418 IonicContact NH2-OE1 3.66Å; R148-E418 IonicContact NH2-OE2 2.74Å; R148-E418 PolarHBondContact NH2-OE2 3.27Å; A414-E418 WeakPolarHBondContact CA-OE2 3.45Å; A414-E418 HydrophobicContact CB-CB 4.09Å; S415-E418 WeakPolarHBondContact O-CB 3.41Å; S415-E418 PolarHBondContact O-N 3.12Å; S415-E418 WeakPolarHBondContact OG-CG 3.14Å; P416-E418 VanDerWaalsContact C-N 3.31Å
419A55.3Low85.6Confident138 Ų13866.9 Ų66.9100%1.14144%0.44SS*.  trans-810-166.600000114.6S415S415-A419 PolarHBondContact O-N 2.88Å

Retrieved 419 of 419 residues in 166.2 ms (Link to these results)

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