A0A060XGV7_ONCMY Loading...

AlkB homolog 6

AlphaFold DB , UniProt , Accession A0A060XGV7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene alkbh6, Length 235 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
1M33.7Very low51.4Low234 Ų234118.3 Ų118.3100%1.15361%0.613SS**  01000-89.6-178.9-83.400105.9
2E33.5Very low54.5Low194 Ų194120 Ų12091%0.90762%0.616SS**  trans-76.3125.8179.3-67.1-175.7160.600108.3P4E2-P4 WeakPolarHBondContact O-CD 3.42Å
3H30.8Very low57.3Low181 Ų181123.6 Ų123.684%0.83862%0.617SS**  trans-63.1122.3173.9-68.9-76.3000108.7C5H3-C5 PolarHBondContact O-N 3.14Å
4P43.4Very low59.9Low124 Ų124120.1 Ų120.181%0.80559%0.594SS**  trans-69.3111174.5-4.219.4000108E2E2-P4 WeakPolarHBondContact O-CD 3.42Å
5C41.9Very low62.3Low68 Ų68115.1 Ų115.146%0.45957%0.573SS.*  trans30.896.7151-147.60000115.1H3 I7H3-C5 PolarHBondContact O-N 3.14Å; C5-I7 PolarHBondContact O-N 2.69Å
6S44.8Very low64.4Low80 Ų80108.1 Ų108.156%0.55954%0.537SS*.  trans-56.1107.8171.560.30000109.7F8S6-F8 VanDerWaalsContact C-N 3.32Å; S6-F8 PolarHBondContact O-N 3.29Å
7I52Low66Low53 Ų53112.6 Ų112.627%0.27255%0.553SS.*  trans-50.6111.3141.3-71.2179.9000103.9C5 E9 L11 Y24 Q172C5-I7 PolarHBondContact O-N 2.69Å; I7-E9 PolarHBondContact O-N 2.93Å; I7-L11 HydrophobicContact CG2-CB 3.77Å; I7-L11 HydrophobicContact CG2-CD1 3.62Å; I7-L11 HydrophobicContact CG2-CG 4.29Å; I7-Y24 HydrophobicContact CG2-CE1 4.43Å; I7-Q172 VanDerWaalsContact CD1-OE1 3.22Å
8F63.1Low67.4Low106 Ų106113.4 Ų113.447%0.46556%0.56SS.*  trans-56141.1-167.8-75.3-88.4000109.5S6 D10 L11S6-F8 VanDerWaalsContact C-N 3.32Å; S6-F8 PolarHBondContact O-N 3.29Å; F8-D10 HydrophobicContact CB-CB 4.46Å; F8-D10 PolarHBondContact O-N 2.67Å; F8-L11 PolarHBondContact O-N 3.32Å
9E61.7Low68.7Low166 Ų166108.3 Ų108.378%0.77654%0.538SS*.G310 helixtrans-41.9-26.3175.8-63.3171.4163.800112.7I7 L11 E12I7-E9 PolarHBondContact O-N 2.93Å; E9-L11 VanDerWaalsContact C-N 3.33Å; E9-L11 PolarHBondContact O-N 3.45Å; E9-E12 PolarHBondContact O-N 3.45Å
10D74.6Confident69.7Low91 Ų91105.2 Ų105.249%0.48753%0.526SS..G310 helixtrans-60.3-28.6173.6-72.1-30.2000116.2F8 R13 Y14F8-D10 HydrophobicContact CB-CB 4.46Å; F8-D10 PolarHBondContact O-N 2.67Å; D10-R13 WeakPolarHBondContact O-CG 3.39Å; D10-R13 PolarHBondContact O-NE 3.05Å; D10-R13 IonicContact OD1-CZ 3.34Å; D10-R13 IonicContact OD1-NH2 3.79Å; D10-R13 PolarHBondContact OD1-NH2 2.86Å; D10-Y14 WeakPolarHBondContact O-CD2 3.25Å; D10-Y14 WeakPolarHBondContact O-CE2 3.44Å
11L86.6Confident70.4Confident4 Ų4104.8 Ų104.82%0.02153%0.531CS..G310 helixtrans-81.4-21.9179.6-78.3178.9000113.2I7 F8 E9 R13 Y14 Y24 I26 L89 I170I7-L11 HydrophobicContact CG2-CB 3.77Å; I7-L11 HydrophobicContact CG2-CD1 3.62Å; I7-L11 HydrophobicContact CG2-CG 4.29Å; F8-L11 PolarHBondContact O-N 3.32Å; E9-L11 VanDerWaalsContact C-N 3.33Å; E9-L11 PolarHBondContact O-N 3.45Å; L11-R13 PolarHBondContact O-N 3.07Å; L11-R13 VanDerWaalsContact O-N 3.16Å; L11-Y14 HydrophobicContact CD2-CD2 4.24Å; L11-Y14 PolarHBondContact O-N 3.47Å; L11-Y24 HydrophobicContact CB-CD1 3.97Å; L11-Y24 HydrophobicContact CB-CE1 3.99Å; L11-Y24 WeakPolarHBondContact O-CD1 3.19Å; L11-I26 HydrophobicContact CD2-CD1 3.6Å; L11-I26 HydrophobicContact CD2-CG1 4.43Å; L11-L89 HydrophobicContact CD1-CB 4.11Å; L11-L89 WeakPolarHBondContact CD1-O 3.36Å; L11-I170 HydrophobicContact CD1-CD1 4.34Å; L11-I170 HydrophobicContact CD2-CD1 4.34Å
12E87.6Confident73Confident139 Ų13994.7 Ų94.765%0.6548%0.482SS*.G310 helixtrans-57.2-35.3-179-64.2-171.9165.700112.3E9 Y14 V15E9-E12 PolarHBondContact O-N 3.45Å; E12-Y14 PolarHBondContact O-N 3.1Å; E12-Y14 VanDerWaalsContact O-N 3.17Å; E12-V15 WeakPolarHBondContact O-CG2 3.49Å; E12-V15 PolarHBondContact O-N 3.34Å
13R90.9Very high76Confident167 Ų16785.4 Ų85.463%0.6344%0.439SS*.G310 helixtrans-65.9-16177.779.4-174.286.2-168.72.5113.9D10 L11D10-R13 WeakPolarHBondContact O-CG 3.39Å; D10-R13 PolarHBondContact O-NE 3.05Å; D10-R13 IonicContact OD1-CZ 3.34Å; D10-R13 IonicContact OD1-NH2 3.79Å; D10-R13 PolarHBondContact OD1-NH2 2.86Å; L11-R13 PolarHBondContact O-N 3.07Å; L11-R13 VanDerWaalsContact O-N 3.16Å
14Y94.9Very high79.1Confident75 Ų7577.9 Ų77.929%0.29440%0.403SS..G310 helixtrans-105.24.3-177.3-60.9-70.3000113.2D10 L11 E12 V16 Y24 Y25 I26D10-Y14 WeakPolarHBondContact O-CD2 3.25Å; D10-Y14 WeakPolarHBondContact O-CE2 3.44Å; L11-Y14 HydrophobicContact CD2-CD2 4.24Å; L11-Y14 PolarHBondContact O-N 3.47Å; E12-Y14 PolarHBondContact O-N 3.1Å; E12-Y14 VanDerWaalsContact O-N 3.17Å; Y14-V16 PolarHBondContact O-N 2.93Å; Y14-Y24 WeakPolarHBondContact O-CA 3.41Å; Y14-Y25 WeakPolarHBondContact CD1-O 3.42Å; Y14-Y25 PolarHBondContact O-N 2.94Å; Y14-I26 HydrophobicContact CD1-CB 4.23Å; Y14-I26 HydrophobicContact CD1-CG1 4.12Å; Y14-I26 HydrophobicContact CD1-CG2 4.1Å; Y14-I26 HydrophobicContact CD2-CD1 4.31Å; Y14-I26 HydrophobicContact CD2-CG1 4.08Å; Y14-I26 HydrophobicContact CE1-CB 4.44Å; Y14-I26 HydrophobicContact CE1-CG2 3.81Å; Y14-I26 HydrophobicContact CE2-CG2 4.38Å; Y14-I26 HydrophobicContact CG-CB 4.45Å; Y14-I26 HydrophobicContact CG-CG1 3.83Å
15V95.1Very high81.7Confident45 Ų4572.1 Ų72.127%0.27337%0.365SS..BIsolated β-bridgetrans-62.3129.8174.9175.10000109.9E12 K17 V23 Y24E12-V15 WeakPolarHBondContact O-CG2 3.49Å; E12-V15 PolarHBondContact O-N 3.34Å; V15-K17 PolarHBondContact O-N 2.87Å; V15-V23 WeakPolarHBondContact CA-O 3.28Å; V15-Y24 HydrophobicContact CG2-CD1 3.73Å; V15-Y24 HydrophobicContact CG2-CE1 3.44Å; V15-Y24 VanDerWaalsContact CG2-CE1 3.44Å
16V95.7Very high84.4Confident2 Ų269.4 Ų69.41%0.01235%0.346CS..  trans-77.7108.7174.1178.80000108.7Y14 D18 A19 V23 L161 A196 N197Y14-V16 PolarHBondContact O-N 2.93Å; V16-D18 VanDerWaalsContact C-N 3.3Å; V16-D18 PolarHBondContact O-N 3.23Å; V16-A19 HydrophobicContact CB-CB 4.02Å; V16-A19 HydrophobicContact CG1-CB 3.71Å; V16-A19 PolarHBondContact O-N 3.46Å; V16-V23 HydrophobicContact CB-CB 4.24Å; V16-V23 HydrophobicContact CB-CG1 3.95Å; V16-V23 HydrophobicContact CG2-CB 4.43Å; V16-V23 HydrophobicContact CG2-CG1 3.71Å; V16-V23 PolarHBondContact N-O 2.88Å; V16-L161 HydrophobicContact CG1-CD2 4.23Å; V16-A196 HydrophobicContact CG1-CB 4.07Å; V16-A196 VanDerWaalsContact CG1-O 3.28Å; V16-A196 WeakPolarHBondContact CG1-O 3.4Å; V16-N197 HydrophobicContact CG1-CB 3.75Å; V16-N197 HydrophobicContact CG2-CB 3.89Å
17K91.8Very high86.9Confident185 Ų18567.9 Ų67.980%0.80434%0.335SS*.THydrogen-bonded Turntrans-62-34.3-171.6-63.2-175.2179.3179.70114V15 A19V15-K17 PolarHBondContact O-N 2.87Å; K17-A19 VanDerWaalsContact C-N 3.29Å; K17-A19 PolarHBondContact O-N 3Å
18D91.2Very high89.1Confident128 Ų12870.6 Ų70.668%0.68435%0.35SS*.THydrogen-bonded Turntrans-9520.8-177.3-53.5-53.8000112.5V16 A196V16-D18 VanDerWaalsContact C-N 3.3Å; V16-D18 PolarHBondContact O-N 3.23Å; D18-A196 HydrophobicContact CB-CB 4.13Å; D18-A196 WeakPolarHBondContact O-CB 3.34Å
19A91.9Very high90.8Very high16 Ų1666.2 Ų66.213%0.13233%0.33CS..SBendtrans-133.2170.717500000109.8V16 K17 V23 L159 A196V16-A19 HydrophobicContact CB-CB 4.02Å; V16-A19 HydrophobicContact CG1-CB 3.71Å; V16-A19 PolarHBondContact O-N 3.46Å; K17-A19 VanDerWaalsContact C-N 3.29Å; K17-A19 PolarHBondContact O-N 3Å; A19-V23 HydrophobicContact CB-CB 4.12Å; A19-V23 HydrophobicContact CB-CG1 4.43Å; A19-V23 HydrophobicContact CB-CG2 3.96Å; A19-L159 HydrophobicContact CB-CD2 4.28Å; A19-A196 HydrophobicContact CB-CB 4.19Å
20P88.7Confident92.5Very high46 Ų4658.4 Ų58.430%0.29929%0.294SS..  trans-51.5144.3171.3-28.737.9000111.6T22 V23 M175P20-T22 PolarHBondContact O-N 3.27Å; P20-V23 WeakPolarHBondContact O-CG2 3.35Å; P20-V23 PolarHBondContact O-N 3.25Å; P20-V23 VanDerWaalsContact O-N 3.1Å; P20-M175 HydrophobicContact CB-CG 4.09Å; P20-M175 HydrophobicContact CB-SD 4.48Å; P20-M175 HydrophobicContact CG-CG 3.96Å; P20-M175 HydrophobicContact CG-SD 3.72Å
21P84.9Confident93.7Very high97 Ų9757.7 Ų57.763%0.6329%0.293SS*.THydrogen-bonded Turntrans-69.713.5-170.230.2-37.2000114.4
22T88.8Confident94.2Very high21 Ų2163.5 Ų63.513%0.12932%0.32CS..THydrogen-bonded Turntrans-11611.3-178.6620000111.4P20 Q172 D173P20-T22 PolarHBondContact O-N 3.27Å; T22-Q172 PolarHBondContact O-N 3.2Å; T22-Q172 PolarHBondContact OG1-O 2.97Å; T22-D173 HydrophobicContact CG2-CB 4.04Å; T22-D173 WeakPolarHBondContact CG2-OD2 3.44Å
23V95.5Very high94.8Very high0 Ų062.6 Ų62.60%032%0.32CS..EExtended strand (participates in β ladder)trans-101.5117.2171.4-178.20000108.9V15 V16 A19 P20 L161 L169 L171 M175V15-V23 WeakPolarHBondContact CA-O 3.28Å; V16-V23 HydrophobicContact CB-CB 4.24Å; V16-V23 HydrophobicContact CB-CG1 3.95Å; V16-V23 HydrophobicContact CG2-CB 4.43Å; V16-V23 HydrophobicContact CG2-CG1 3.71Å; V16-V23 PolarHBondContact N-O 2.88Å; A19-V23 HydrophobicContact CB-CB 4.12Å; A19-V23 HydrophobicContact CB-CG1 4.43Å; A19-V23 HydrophobicContact CB-CG2 3.96Å; P20-V23 WeakPolarHBondContact O-CG2 3.35Å; P20-V23 PolarHBondContact O-N 3.25Å; P20-V23 VanDerWaalsContact O-N 3.1Å; V23-L161 HydrophobicContact CG1-CD1 3.6Å; V23-L161 HydrophobicContact CG1-CD2 4.26Å; V23-L169 HydrophobicContact CG1-CD1 4.19Å; V23-L171 HydrophobicContact CB-CD2 4.36Å; V23-L171 HydrophobicContact CG1-CD2 3.89Å; V23-L171 HydrophobicContact CG2-CD2 3.97Å; V23-M175 HydrophobicContact CG2-CB 4.39Å; V23-M175 HydrophobicContact CG2-CE 3.8Å; V23-M175 HydrophobicContact CG2-CG 3.51Å; V23-M175 HydrophobicContact CG2-SD 4.05Å
24Y96.8Very high95.1Very high22 Ų2255.9 Ų55.99%0.08630%0.295CS..EExtended strand (participates in β ladder)trans-116.4129.6175.8-49.8-98.1000110.1I7 L11 Y14 V15 I170I7-Y24 HydrophobicContact CG2-CE1 4.43Å; L11-Y24 HydrophobicContact CB-CD1 3.97Å; L11-Y24 HydrophobicContact CB-CE1 3.99Å; L11-Y24 WeakPolarHBondContact O-CD1 3.19Å; Y14-Y24 WeakPolarHBondContact O-CA 3.41Å; V15-Y24 HydrophobicContact CG2-CD1 3.73Å; V15-Y24 HydrophobicContact CG2-CE1 3.44Å; V15-Y24 VanDerWaalsContact CG2-CE1 3.44Å; Y24-I170 HydrophobicContact CD2-CB 4.19Å; Y24-I170 HydrophobicContact CD2-CG2 4.19Å; Y24-I170 PolarHBondContact N-O 3.12Å; Y24-I170 PolarHBondContact O-N 3.15Å
25Y98Very high95.3Very high3 Ų353 Ų531%0.01229%0.285CS..EExtended strand (participates in β ladder)trans-121.3112.3177.1178.6-98.4000110Y14 P27 L162 R164 S167 L169 N197 A200 A201Y14-Y25 WeakPolarHBondContact CD1-O 3.42Å; Y14-Y25 PolarHBondContact O-N 2.94Å; Y25-P27 HydrophobicContact CE1-CB 4.03Å; Y25-P27 HydrophobicContact CE1-CG 4.46Å; Y25-P27 WeakPolarHBondContact O-CD 3.32Å; Y25-L162 WeakPolarHBondContact CE2-O 3.46Å; Y25-R164 WeakPolarHBondContact OH-CB 3.27Å; Y25-S167 WeakPolarHBondContact CE2-OG 3.11Å; Y25-S167 WeakPolarHBondContact OH-CB 3.41Å; Y25-L169 HydrophobicContact CD2-CD1 4.45Å; Y25-N197 WeakPolarHBondContact CD2-ND2 3.16Å; Y25-A200 HydrophobicContact CD1-CB 3.95Å; Y25-A201 HydrophobicContact CE1-CB 4.08Å
26I97.9Very high95.5Very high11 Ų1154.4 Ų54.46%0.05630%0.297CS..EExtended strand (participates in β ladder)trans-106.2104.2178.9-45.5-175.3000108.2L11 Y14 F29 L89 S167 L168L11-I26 HydrophobicContact CD2-CD1 3.6Å; L11-I26 HydrophobicContact CD2-CG1 4.43Å; Y14-I26 HydrophobicContact CD1-CB 4.23Å; Y14-I26 HydrophobicContact CD1-CG1 4.12Å; Y14-I26 HydrophobicContact CD1-CG2 4.1Å; Y14-I26 HydrophobicContact CD2-CD1 4.31Å; Y14-I26 HydrophobicContact CD2-CG1 4.08Å; Y14-I26 HydrophobicContact CE1-CB 4.44Å; Y14-I26 HydrophobicContact CE1-CG2 3.81Å; Y14-I26 HydrophobicContact CE2-CG2 4.38Å; Y14-I26 HydrophobicContact CG-CB 4.45Å; Y14-I26 HydrophobicContact CG-CG1 3.83Å; I26-F29 HydrophobicContact CB-CB 4.47Å; I26-F29 HydrophobicContact CG2-CB 4.26Å; I26-F29 HydrophobicContact CG2-CD2 4.35Å; I26-L89 HydrophobicContact CD1-CD1 4.17Å; I26-S167 CarbonylContact O-C 3.51Å; I26-S167 WeakPolarHBondContact O-CA 3.44Å; I26-S167 WeakPolarHBondContact O-CB 3.35Å; I26-L168 HydrophobicContact CB-CB 4.24Å; I26-L168 HydrophobicContact CD1-CD2 4Å; I26-L168 PolarHBondContact N-O 3.26Å; I26-L168 PolarHBondContact O-N 3.02Å
27P97.8Very high95.6Very high49 Ų4959.6 Ų59.632%0.31832%0.321SS..THydrogen-bonded Turntrans-67.3153.2171.730.2-34000110.3Y25 F29Y25-P27 HydrophobicContact CE1-CB 4.03Å; Y25-P27 HydrophobicContact CE1-CG 4.46Å; Y25-P27 WeakPolarHBondContact O-CD 3.32Å; P27-F29 PolarHBondContact O-N 3.27Å
28D97.3Very high96Very high110 Ų11051 Ų5159%0.58828%0.283SS*.THydrogen-bonded Turntrans48.537.7175.4-56.5-55.2000114I30 R166D28-I30 PolarHBondContact O-N 3Å; D28-R166 IonicContact OD1-NE 3.77Å
29F98.3Very high96.3Very high13 Ų1346.6 Ų46.66%0.05726%0.26CS..  trans-60.5-35.7177.8175.8-109.6000111.5I26 P27 R85 I86 L89 I127 R166 L168I26-F29 HydrophobicContact CB-CB 4.47Å; I26-F29 HydrophobicContact CG2-CB 4.26Å; I26-F29 HydrophobicContact CG2-CD2 4.35Å; P27-F29 PolarHBondContact O-N 3.27Å; F29-R85 HydrophobicContact CE2-CG 4.4Å; F29-R85 HydrophobicContact CZ-CG 3.9Å; F29-R85 PolarHBondContact O-NH1 2.77Å; F29-R85 VanDerWaalsContact O-NH1 3.07Å; F29-R85 PolarHBondContact O-NH2 2.91Å; F29-I86 HydrophobicContact CE1-CG1 4.06Å; F29-I86 HydrophobicContact CZ-CG1 3.91Å; F29-L89 HydrophobicContact CE2-CD1 4.04Å; F29-I127 HydrophobicContact CD1-CD1 4.23Å; F29-I127 HydrophobicContact CD1-CG1 4.18Å; F29-I127 HydrophobicContact CE1-CD1 3.93Å; F29-I127 HydrophobicContact CE1-CG1 4.21Å; F29-R166 WeakPolarHBondContact CB-O 3.35Å; F29-R166 PolarHBondContact N-O 3.31Å; F29-L168 HydrophobicContact CB-CB 3.66Å; F29-L168 HydrophobicContact CD1-CB 3.69Å; F29-L168 HydrophobicContact CD1-CD1 4.5Å; F29-L168 HydrophobicContact CD1-CD2 4.24Å; F29-L168 HydrophobicContact CD1-CG 4.37Å; F29-L168 HydrophobicContact CD2-CB 4.04Å; F29-L168 HydrophobicContact CD2-CD2 3.96Å; F29-L168 HydrophobicContact CE1-CB 4.35Å; F29-L168 HydrophobicContact CE1-CD1 4.47Å; F29-L168 HydrophobicContact CE1-CD2 4.1Å; F29-L168 HydrophobicContact CE2-CD2 3.82Å; F29-L168 HydrophobicContact CG-CB 3.52Å; F29-L168 HydrophobicContact CG-CD2 4.18Å; F29-L168 HydrophobicContact CG-CG 4.41Å; F29-L168 HydrophobicContact CZ-CD2 3.88Å
30I98.7Very high96.6Very high3 Ų352 Ų522%0.01528%0.282CS..SBendtrans-113.7156.6170.362.7168.4000110.7D28 E34 E35 L38 Y82 I127 L129 R166D28-I30 PolarHBondContact O-N 3Å; I30-E34 VanDerWaalsContact CA-OE2 3.28Å; I30-E34 WeakPolarHBondContact CA-OE2 3.33Å; I30-E34 HydrophobicContact CB-CB 3.93Å; I30-E34 WeakPolarHBondContact CB-OE2 3.09Å; I30-E35 HydrophobicContact CD1-CB 3.84Å; I30-L38 HydrophobicContact CD1-CD1 3.85Å; I30-Y82 HydrophobicContact CG2-CD1 4.11Å; I30-Y82 HydrophobicContact CG2-CE1 3.67Å; I30-I127 HydrophobicContact CD1-CG2 3.91Å; I30-I127 HydrophobicContact CG1-CG2 4.39Å; I30-I127 HydrophobicContact CG2-CG2 4.42Å; I30-L129 HydrophobicContact CD1-CD2 3.3Å; I30-R166 HydrophobicContact CD1-CG 4.33Å; I30-R166 HydrophobicContact CG1-CB 3.7Å; I30-R166 HydrophobicContact CG1-CG 3.88Å; I30-R166 PolarHBondContact N-O 3.27Å; I30-R166 VanDerWaalsContact N-O 3.16Å; I30-R166 WeakPolarHBondContact O-CB 3.28Å; I30-R166 WeakPolarHBondContact O-CD 3.4Å
31T98.7Very high97.1Very high76 Ų7653.1 Ų53.147%0.46628%0.283SS..  trans-78.4167.9173.871.40000111.9D33 E34 E35T31-D33 VanDerWaalsContact C-N 3.29Å; T31-D33 PolarHBondContact O-N 3.43Å; T31-E34 PolarHBondContact N-OE2 2.9Å; T31-E34 VanDerWaalsContact N-OE2 3.1Å; T31-E34 PolarHBondContact O-N 2.9Å; T31-E34 WeakPolarHBondContact OG1-CG 3.19Å; T31-E34 PolarHBondContact OG1-N 3.28Å; T31-E34 VanDerWaalsContact OG1-N 3.14Å; T31-E35 PolarHBondContact O-N 2.96Å
32E98.6Very high97.8Very high126 Ų12648.5 Ų48.559%0.58925%0.253SS*.Hα-helixtrans-62.4-35.3173.6-63.2-174.816900112.6E35 S36 R166E32-E35 PolarHBondContact O-N 3.44Å; E32-S36 WeakPolarHBondContact O-CB 3.42Å; E32-S36 PolarHBondContact O-N 2.91Å; E32-S36 PolarHBondContact O-OG 3.21Å; E32-R166 IonicContact OE1-NH2 3.88Å
33D98.7Very high98.2Very high119 Ų11952.5 Ų52.564%0.63627%0.267SS*.Hα-helixtrans-66.9-43.4174.2-72.8-25.6000111.4T31 E35 S36 Q37T31-D33 VanDerWaalsContact C-N 3.29Å; T31-D33 PolarHBondContact O-N 3.43Å; D33-E35 VanDerWaalsContact C-N 3.34Å; D33-S36 PolarHBondContact O-N 3.01Å; D33-Q37 WeakPolarHBondContact O-CB 3.36Å; D33-Q37 VanDerWaalsContact O-CG 3.25Å; D33-Q37 WeakPolarHBondContact O-CG 3.49Å; D33-Q37 PolarHBondContact O-N 3.34Å
34E98.8Very high98.3Very high26 Ų2660 Ų6012%0.12130%0.3CS..Hα-helixtrans-62.5-41.6175.7-76.6-175139.100111.5I30 T31 Q37 L38 K81 Y82 R85I30-E34 VanDerWaalsContact CA-OE2 3.28Å; I30-E34 WeakPolarHBondContact CA-OE2 3.33Å; I30-E34 HydrophobicContact CB-CB 3.93Å; I30-E34 WeakPolarHBondContact CB-OE2 3.09Å; T31-E34 PolarHBondContact N-OE2 2.9Å; T31-E34 VanDerWaalsContact N-OE2 3.1Å; T31-E34 PolarHBondContact O-N 2.9Å; T31-E34 WeakPolarHBondContact OG1-CG 3.19Å; T31-E34 PolarHBondContact OG1-N 3.28Å; T31-E34 VanDerWaalsContact OG1-N 3.14Å; E34-Q37 PolarHBondContact O-N 3.11Å; E34-L38 VanDerWaalsContact O-CB 3.32Å; E34-L38 WeakPolarHBondContact O-CB 3.45Å; E34-L38 WeakPolarHBondContact O-CG 3.26Å; E34-L38 PolarHBondContact O-N 3.47Å; E34-K81 IonicContact OE1-NZ 2.69Å; E34-K81 PolarHBondContact OE1-NZ 2.92Å; E34-Y82 WeakPolarHBondContact CB-OH 3.43Å; E34-R85 IonicContact OE1-NH1 3.79Å; E34-R85 IonicContact OE2-NH1 3.62Å; E34-R85 PolarHBondContact OE2-NH1 2.76Å
35E98.8Very high98.3Very high16 Ų1659.7 Ų59.78%0.07530%0.301CS..Hα-helixtrans-60.2-47.9173.8173.2168.9-131.800111.5I30 T31 E32 D33 Q37 L38 L39 L129 G130 P165 R166I30-E35 HydrophobicContact CD1-CB 3.84Å; T31-E35 PolarHBondContact O-N 2.96Å; E32-E35 PolarHBondContact O-N 3.44Å; D33-E35 VanDerWaalsContact C-N 3.34Å; E35-Q37 PolarHBondContact O-N 3.05Å; E35-L38 PolarHBondContact O-N 3.23Å; E35-L39 HydrophobicContact CG-CD1 4Å; E35-L39 WeakPolarHBondContact O-CB 3.26Å; E35-L39 WeakPolarHBondContact O-CG 3.41Å; E35-L39 PolarHBondContact O-N 3.35Å; E35-L129 HydrophobicContact CB-CD2 4.36Å; E35-L129 HydrophobicContact CG-CB 4.4Å; E35-L129 HydrophobicContact CG-CD2 4.11Å; E35-L129 VanDerWaalsContact OE1-CA 3.32Å; E35-L129 WeakPolarHBondContact OE1-CA 3.19Å; E35-G130 PolarHBondContact OE1-N 2.91Å; E35-P165 WeakPolarHBondContact OE1-CB 3.33Å; E35-R166 HydrophobicContact CB-CG 4Å; E35-R166 HydrophobicContact CG-CG 4.35Å; E35-R166 WeakPolarHBondContact OE2-CD 3.38Å; E35-R166 WeakPolarHBondContact OE2-CG 3.39Å; E35-R166 IonicContact OE2-CZ 2.86Å; E35-R166 IonicContact OE2-NH1 3.57Å; E35-R166 PolarHBondContact OE2-NH1 3.21Å
36S98.8Very high98.2Very high74 Ų7463.3 Ų63.352%0.51733%0.325SS..Hα-helixtrans-61-44179.1-62.80000111.9E32 D33 Q40E32-S36 WeakPolarHBondContact O-CB 3.42Å; E32-S36 PolarHBondContact O-N 2.91Å; E32-S36 PolarHBondContact O-OG 3.21Å; D33-S36 PolarHBondContact O-N 3.01Å; S36-Q40 WeakPolarHBondContact O-CB 3.45Å; S36-Q40 PolarHBondContact O-N 3.29Å
37Q98.6Very high98Very high111 Ų11171.9 Ų71.952%0.51936%0.362SS..Hα-helixtrans-65.5-42.9176.2-71.7174.50.400112.1D33 E34 E35 Q40 Q41D33-Q37 WeakPolarHBondContact O-CB 3.36Å; D33-Q37 VanDerWaalsContact O-CG 3.25Å; D33-Q37 WeakPolarHBondContact O-CG 3.49Å; D33-Q37 PolarHBondContact O-N 3.34Å; E34-Q37 PolarHBondContact O-N 3.11Å; E35-Q37 PolarHBondContact O-N 3.05Å; Q37-Q40 PolarHBondContact O-N 3.13Å; Q37-Q41 WeakPolarHBondContact O-CG 3.32Å; Q37-Q41 PolarHBondContact O-N 2.7Å
38L98.7Very high97.8Very high3 Ų375.8 Ų75.82%0.01639%0.385CS..Hα-helixtrans-60.7-49.2176.6-85.4175.4000111.5I30 E34 E35 Q40 Q41 V42 W78 Y82 L129 L217I30-L38 HydrophobicContact CD1-CD1 3.85Å; E34-L38 VanDerWaalsContact O-CB 3.32Å; E34-L38 WeakPolarHBondContact O-CB 3.45Å; E34-L38 WeakPolarHBondContact O-CG 3.26Å; E34-L38 PolarHBondContact O-N 3.47Å; E35-L38 PolarHBondContact O-N 3.23Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; L38-Q40 PolarHBondContact O-N 3.29Å; L38-Q41 PolarHBondContact O-N 3.34Å; L38-V42 WeakPolarHBondContact O-CG2 3.43Å; L38-V42 PolarHBondContact O-N 3.03Å; L38-W78 HydrophobicContact CD2-CE3 3.69Å; L38-W78 HydrophobicContact CD2-CZ3 3.86Å; L38-Y82 HydrophobicContact CD1-CD2 4.38Å; L38-Y82 HydrophobicContact CD1-CE1 4.13Å; L38-Y82 HydrophobicContact CD1-CE2 3.82Å; L38-Y82 HydrophobicContact CD2-CD2 3.83Å; L38-Y82 HydrophobicContact CD2-CE2 3.34Å; L38-Y82 HydrophobicContact CG-CD2 4.47Å; L38-Y82 HydrophobicContact CG-CE2 3.66Å; L38-L129 HydrophobicContact CB-CD1 3.79Å; L38-L129 HydrophobicContact CD1-CD1 4.28Å; L38-L129 HydrophobicContact CD1-CD2 3.96Å; L38-L217 HydrophobicContact CD1-CD2 4.3Å; L38-L217 HydrophobicContact CD2-CD2 3.8Å
39L98.8Very high97.7Very high37 Ų3773.2 Ų73.219%0.19437%0.368CS..Hα-helixtrans-58.6-45.6176.9-71.8170.2000110.5E35 Q41 V42 Y43 L129 V215E35-L39 HydrophobicContact CG-CD1 4Å; E35-L39 WeakPolarHBondContact O-CB 3.26Å; E35-L39 WeakPolarHBondContact O-CG 3.41Å; E35-L39 PolarHBondContact O-N 3.35Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.11Å; L39-V42 PolarHBondContact O-N 3.25Å; L39-Y43 HydrophobicContact CB-CD2 4.44Å; L39-Y43 HydrophobicContact CB-CE2 4.42Å; L39-Y43 HydrophobicContact CD2-CE2 4.06Å; L39-Y43 WeakPolarHBondContact O-CD2 3.4Å; L39-Y43 PolarHBondContact O-N 3.35Å; L39-L129 HydrophobicContact CD2-CB 3.85Å; L39-L129 HydrophobicContact CD2-CD1 4Å; L39-L129 HydrophobicContact CG-CB 4.21Å; L39-L129 HydrophobicContact CG-CD1 4.18Å; L39-V215 HydrophobicContact CD2-CB 3.92Å; L39-V215 HydrophobicContact CD2-CG2 3.87Å
40Q98.6Very high97.7Very high129 Ų12974.7 Ų74.760%0.60337%0.374SS*.Hα-helixtrans-56.5-45.5176.7-170.1-174.930.800112.1S36 Q37 L38 Y43 K44S36-Q40 WeakPolarHBondContact O-CB 3.45Å; S36-Q40 PolarHBondContact O-N 3.29Å; Q37-Q40 PolarHBondContact O-N 3.13Å; L38-Q40 VanDerWaalsContact C-N 3.32Å; L38-Q40 PolarHBondContact O-N 3.29Å; Q40-Y43 PolarHBondContact O-N 2.89Å; Q40-K44 WeakPolarHBondContact O-CB 3.36Å; Q40-K44 PolarHBondContact O-N 3.26Å
41Q98.6Very high97.6Very high69 Ų6978.2 Ų78.232%0.32240%0.395SS..Hα-helixtrans-66.3-42.3178.6-66.8-67.2-2.600112.3Q37 L38 L39 Y43 K44 A45 W78Q37-Q41 WeakPolarHBondContact O-CG 3.32Å; Q37-Q41 PolarHBondContact O-N 2.7Å; L38-Q41 PolarHBondContact O-N 3.34Å; L39-Q41 VanDerWaalsContact C-N 3.33Å; L39-Q41 PolarHBondContact O-N 3.11Å; Q41-Y43 VanDerWaalsContact C-N 3.34Å; Q41-Y43 PolarHBondContact O-N 3.16Å; Q41-K44 PolarHBondContact O-N 2.85Å; Q41-A45 PolarHBondContact O-N 3.37Å; Q41-W78 HydrophobicContact CB-CD2 3.66Å; Q41-W78 HydrophobicContact CB-CE3 3.84Å; Q41-W78 HydrophobicContact CB-CG 3.99Å; Q41-W78 HydrophobicContact CB-CZ2 4.41Å; Q41-W78 HydrophobicContact CB-CZ3 4.26Å; Q41-W78 HydrophobicContact CG-CB 4.04Å; Q41-W78 HydrophobicContact CG-CD2 4.11Å; Q41-W78 HydrophobicContact CG-CE3 4.45Å; Q41-W78 HydrophobicContact CG-CG 3.91Å
42V98.5Very high97.6Very high0 Ų080.8 Ų80.80%040%0.402CS..Hα-helixtrans-56.6-48.4175.7165.50000110.7L38 L39 A45 W50 Q59 W78 V102 V215 L217L38-V42 WeakPolarHBondContact O-CG2 3.43Å; L38-V42 PolarHBondContact O-N 3.03Å; L39-V42 PolarHBondContact O-N 3.25Å; V42-A45 VanDerWaalsContact O-CB 3.3Å; V42-A45 WeakPolarHBondContact O-CB 3.49Å; V42-A45 PolarHBondContact O-N 3.43Å; V42-W50 HydrophobicContact CG1-CH2 3.65Å; V42-W50 HydrophobicContact CG1-CZ2 3.7Å; V42-Q59 PolarHBondContact O-NE2 3.07Å; V42-W78 HydrophobicContact CG2-CH2 3.92Å; V42-W78 HydrophobicContact CG2-CZ3 4.06Å; V42-V102 HydrophobicContact CG1-CG1 3.83Å; V42-V102 HydrophobicContact CG2-CG1 3.93Å; V42-V102 HydrophobicContact CG2-CG2 4.48Å; V42-V215 HydrophobicContact CG1-CG1 4.2Å; V42-V215 HydrophobicContact CG2-CG1 4.45Å; V42-L217 HydrophobicContact CG2-CD1 4.49Å
43Y98.5Very high97.4Very high106 Ų10677.3 Ų77.342%0.41639%0.387SS..Hα-helixtrans-78-22.1-178.6-70.5-72.3000113.9L39 Q40 Q41 A45 W50 E104 V215L39-Y43 HydrophobicContact CB-CD2 4.44Å; L39-Y43 HydrophobicContact CB-CE2 4.42Å; L39-Y43 HydrophobicContact CD2-CE2 4.06Å; L39-Y43 WeakPolarHBondContact O-CD2 3.4Å; L39-Y43 PolarHBondContact O-N 3.35Å; Q40-Y43 PolarHBondContact O-N 2.89Å; Q41-Y43 VanDerWaalsContact C-N 3.34Å; Q41-Y43 PolarHBondContact O-N 3.16Å; Y43-A45 VanDerWaalsContact C-N 3.27Å; Y43-W50 HydrophobicContact CD1-CZ2 4.43Å; Y43-E104 WeakPolarHBondContact CE1-OE2 3.38Å; Y43-E104 PolarHBondContact OH-OE2 2.92Å; Y43-V215 HydrophobicContact CE2-CG2 4.49Å
44K98.1Very high97Very high158 Ų15877.2 Ų77.269%0.68740%0.396SS*.Hα-helixtrans-74.3-16.9173.1-170.9175.2-179.6-178.70112.8Q40 Q41Q40-K44 WeakPolarHBondContact O-CB 3.36Å; Q40-K44 PolarHBondContact O-N 3.26Å; Q41-K44 PolarHBondContact O-N 2.85Å
45A96.3Very high96.8Very high14 Ų1480.7 Ų80.712%0.11642%0.416CS..SBendtrans-54.9141.3177.600000111.6Q41 V42 Y43 K49 W61Q41-A45 PolarHBondContact O-N 3.37Å; V42-A45 VanDerWaalsContact O-CB 3.3Å; V42-A45 WeakPolarHBondContact O-CB 3.49Å; V42-A45 PolarHBondContact O-N 3.43Å; Y43-A45 VanDerWaalsContact C-N 3.27Å; A45-K49 HydrophobicContact CB-CB 4.3Å; A45-W61 HydrophobicContact CB-CH2 4.47Å; A45-W61 HydrophobicContact CB-CZ2 3.94Å
46P95Very high96.7Very high79 Ų7982.1 Ų82.151%0.51342%0.42SS..  trans-55.6148.3177-25.133.9000112T48 K49P46-T48 PolarHBondContact O-N 2.91Å; P46-K49 WeakPolarHBondContact O-CB 3.3Å; P46-K49 PolarHBondContact O-N 2.92Å
47K93.3Very high96.7Very high192 Ų19281.2 Ų81.284%0.83541%0.405SS*.G310 helixtrans-52.9-32.4177.3-69.2-175.5179.2179.90112.9K49 W50K47-K49 PolarHBondContact O-N 3.42Å; K47-W50 PolarHBondContact O-N 3.21Å
48T94.3Very high96.7Very high130 Ų13077.3 Ų77.380%0.79839%0.388SS*.G310 helixtrans-65.8-18.1177.553.50000114.3P46 W50P46-T48 PolarHBondContact O-N 2.91Å; T48-W50 VanDerWaalsContact C-N 3.34Å
49K95.5Very high96.7Very high56 Ų5677.2 Ų77.224%0.24339%0.388CS..G310 helixtrans-79.7-17.8172-77.4-67.5-170.4178.90112.8A45 P46 K47 Q59 N60 W61 E73A45-K49 HydrophobicContact CB-CB 4.3Å; P46-K49 WeakPolarHBondContact O-CB 3.3Å; P46-K49 PolarHBondContact O-N 2.92Å; K47-K49 PolarHBondContact O-N 3.42Å; K49-Q59 WeakPolarHBondContact O-CA 3.41Å; K49-N60 PolarHBondContact NZ-O 3.42Å; K49-W61 HydrophobicContact CB-CZ2 4.41Å; K49-W61 HydrophobicContact CD-CH2 4.14Å; K49-W61 HydrophobicContact CD-CZ2 4.23Å; K49-W61 HydrophobicContact CD-CZ3 4.36Å; K49-W61 HydrophobicContact CG-CH2 3.97Å; K49-W61 HydrophobicContact CG-CZ2 4.04Å; K49-E73 IonicContact NZ-OE2 3.5Å
50W97.7Very high96.6Very high44 Ų4477.4 Ų77.417%0.16739%0.389CS..EExtended strand (participates in β ladder)trans-90125.4177-69.5100.4000110.9V42 Y43 K47 T48 R57 L58 Q59 E104V42-W50 HydrophobicContact CG1-CH2 3.65Å; V42-W50 HydrophobicContact CG1-CZ2 3.7Å; Y43-W50 HydrophobicContact CD1-CZ2 4.43Å; K47-W50 PolarHBondContact O-N 3.21Å; T48-W50 VanDerWaalsContact C-N 3.34Å; W50-R57 HydrophobicContact CE3-CB 3.99Å; W50-R57 HydrophobicContact CE3-CG 3.62Å; W50-R57 HydrophobicContact CZ3-CB 4.38Å; W50-R57 HydrophobicContact CZ3-CG 3.63Å; W50-L58 CarbonylContact C-O 3.56Å; W50-L58 WeakPolarHBondContact CA-O 3.44Å; W50-Q59 HydrophobicContact CD2-CG 3.72Å; W50-Q59 HydrophobicContact CE3-CG 3.54Å; W50-Q59 HydrophobicContact CG-CG 4.4Å; W50-Q59 HydrophobicContact CH2-CG 4.01Å; W50-Q59 HydrophobicContact CZ2-CG 4.19Å; W50-Q59 HydrophobicContact CZ3-CG 3.67Å; W50-E104 HydrophobicContact CH2-CB 4.24Å; W50-E104 HydrophobicContact CZ3-CB 4.16Å
51T97.7Very high96.6Very high77 Ų7772.7 Ų72.747%0.47237%0.366SS..EExtended strand (participates in β ladder)trans-108122.6167.5-58.40000108.4L53 R57 L58T51-L53 HydrophobicContact CG2-CD2 4.07Å; T51-R57 WeakPolarHBondContact O-CA 3.35Å; T51-L58 PolarHBondContact N-O 2.62Å; T51-L58 PolarHBondContact O-N 3.27Å
52Q97.2Very high96.5Very high130 Ų13069.6 Ų69.661%0.60735%0.352SS*.EExtended strand (participates in β ladder)trans-76.5124.8171.4-173.863.444.100108.8R56Q52-R56 PolarHBondContact NE2-O 2.76Å; Q52-R56 VanDerWaalsContact NE2-O 3.12Å
53L95.4Very high96.3Very high53 Ų5369.7 Ų69.728%0.27735%0.353SS..EExtended strand (participates in β ladder)trans-107176.8170.6-57176.5000108.4T51 N55 R56 L58T51-L53 HydrophobicContact CG2-CD2 4.07Å; L53-N55 VanDerWaalsContact C-N 3.33Å; L53-N55 PolarHBondContact O-N 2.71Å; L53-R56 CarbonylContact C-O 3.49Å; L53-R56 WeakPolarHBondContact CA-O 3.03Å; L53-R56 HydrophobicContact CB-CG 4.13Å; L53-R56 WeakPolarHBondContact CB-O 3.41Å; L53-R56 HydrophobicContact CD1-CG 4.17Å; L53-R56 PolarHBondContact N-O 2.75Å; L53-R56 VanDerWaalsContact O-O 3.12Å; L53-L58 HydrophobicContact CD1-CB 3.91Å; L53-L58 HydrophobicContact CD1-CD2 4.23Å; L53-L58 HydrophobicContact CG-CB 4.42Å
54S90.3Very high96Very high118 Ų11868.4 Ų68.483%0.82535%0.353SS*.THydrogen-bonded Turntrans-51.1-48.5-171.3-50.70000113.6
55N94.6Very high95.6Very high98 Ų9863.3 Ų63.352%0.52434%0.336SS..THydrogen-bonded Turntrans-134.627.8-175.5-66.3-32.7000112.8L53 E109L53-N55 VanDerWaalsContact C-N 3.33Å; L53-N55 PolarHBondContact O-N 2.71Å; N55-E109 WeakPolarHBondContact O-CB 3.48Å; N55-E109 VanDerWaalsContact O-CG 3.24Å; N55-E109 WeakPolarHBondContact O-CG 3.01Å
56R97.5Very high95.3Very high47 Ų4768.5 Ų68.518%0.17735%0.352CS..EExtended strand (participates in β ladder)trans-168.3175.1176.570.7-178.9-168.3-75.53.9109.3Q52 L53 N103 E104 Y105 I111Q52-R56 PolarHBondContact NE2-O 2.76Å; Q52-R56 VanDerWaalsContact NE2-O 3.12Å; L53-R56 CarbonylContact C-O 3.49Å; L53-R56 WeakPolarHBondContact CA-O 3.03Å; L53-R56 HydrophobicContact CB-CG 4.13Å; L53-R56 WeakPolarHBondContact CB-O 3.41Å; L53-R56 HydrophobicContact CD1-CG 4.17Å; L53-R56 PolarHBondContact N-O 2.75Å; L53-R56 VanDerWaalsContact O-O 3.12Å; R56-N103 PolarHBondContact NE-OD1 2.94Å; R56-E104 WeakPolarHBondContact CB-O 3.29Å; R56-Y105 HydrophobicContact CB-CD1 3.9Å; R56-Y105 HydrophobicContact CB-CE1 3.87Å; R56-Y105 VanDerWaalsContact CD-CZ 3.46Å; R56-Y105 WeakPolarHBondContact CD-OH 3.41Å; R56-Y105 HydrophobicContact CG-CE1 4.26Å; R56-I111 VanDerWaalsContact NH1-CD1 3.28Å
57R98Very high94.8Very high54 Ų5471.4 Ų71.420%0.20437%0.371CS..EExtended strand (participates in β ladder)trans-126.4151.5168.160.4179.2-150.5-171.80.7112.1W50 T51 N103 E104W50-R57 HydrophobicContact CE3-CB 3.99Å; W50-R57 HydrophobicContact CE3-CG 3.62Å; W50-R57 HydrophobicContact CZ3-CB 4.38Å; W50-R57 HydrophobicContact CZ3-CG 3.63Å; T51-R57 WeakPolarHBondContact O-CA 3.35Å; R57-N103 WeakPolarHBondContact O-CA 3.33Å; R57-E104 WeakPolarHBondContact CD-OE1 3.26Å; R57-E104 HydrophobicContact CG-CB 3.76Å; R57-E104 HydrophobicContact CG-CG 4.43Å; R57-E104 IonicContact CZ-OE1 3.86Å; R57-E104 IonicContact CZ-OE2 3.49Å; R57-E104 PolarHBondContact N-O 2.77Å; R57-E104 IonicContact NE-OE1 3.47Å; R57-E104 PolarHBondContact NE-OE1 3.33Å; R57-E104 IonicContact NE-OE2 2.72Å; R57-E104 PolarHBondContact NE-OE2 2.93Å; R57-E104 IonicContact NH1-OE1 3.85Å; R57-E104 VanDerWaalsContact NH2-CD 3.3Å; R57-E104 IonicContact NH2-OE1 2.7Å; R57-E104 PolarHBondContact NH2-OE1 3.02Å; R57-E104 IonicContact NH2-OE2 3.44Å; R57-E104 PolarHBondContact NH2-OE2 3.37Å; R57-E104 PolarHBondContact O-N 3.03Å
58L98Very high94.5Very high30 Ų3070.7 Ų70.716%0.15737%0.368CS..EExtended strand (participates in β ladder)trans-126.4141.3-169.6178.672.5000110.8W50 T51 L53 L101 V102 N103W50-L58 CarbonylContact C-O 3.56Å; W50-L58 WeakPolarHBondContact CA-O 3.44Å; T51-L58 PolarHBondContact N-O 2.62Å; T51-L58 PolarHBondContact O-N 3.27Å; L53-L58 HydrophobicContact CD1-CB 3.91Å; L53-L58 HydrophobicContact CD1-CD2 4.23Å; L53-L58 HydrophobicContact CG-CB 4.42Å; L58-L101 HydrophobicContact CD1-CB 3.98Å; L58-L101 HydrophobicContact CD1-CD2 4.19Å; L58-L101 HydrophobicContact CD1-CG 4.46Å; L58-V102 CarbonylContact C-O 3.58Å; L58-V102 VanDerWaalsContact CA-O 3.26Å; L58-V102 WeakPolarHBondContact CA-O 3.27Å; L58-N103 WeakPolarHBondContact CD1-OD1 3.44Å
59Q98.3Very high94.4Very high1 Ų164.6 Ų64.61%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-114.1151.6157.2-44.2179.8-3.700110.8V42 K49 W50 L101 V102V42-Q59 PolarHBondContact O-NE2 3.07Å; K49-Q59 WeakPolarHBondContact O-CA 3.41Å; W50-Q59 HydrophobicContact CD2-CG 3.72Å; W50-Q59 HydrophobicContact CE3-CG 3.54Å; W50-Q59 HydrophobicContact CG-CG 4.4Å; W50-Q59 HydrophobicContact CH2-CG 4.01Å; W50-Q59 HydrophobicContact CZ2-CG 4.19Å; W50-Q59 HydrophobicContact CZ3-CG 3.67Å; Q59-L101 WeakPolarHBondContact O-CA 3.5Å; Q59-V102 HydrophobicContact CB-CB 3.94Å; Q59-V102 HydrophobicContact CB-CG2 4.36Å; Q59-V102 HydrophobicContact CG-CB 4.12Å; Q59-V102 PolarHBondContact N-O 2.97Å; Q59-V102 PolarHBondContact O-N 2.83Å
60N97.7Very high94.4Very high40 Ų4062 Ų6221%0.21432%0.32CS..EExtended strand (participates in β ladder)trans-125.2126.5177.7-172.6-18.3000110.9K49 G63 P65 H99 L101K49-N60 PolarHBondContact NZ-O 3.42Å; N60-G63 PolarHBondContact OD1-O 2.81Å; N60-P65 WeakPolarHBondContact ND2-CD 3.49Å; N60-H99 PolarHBondContact OD1-NE2 2.93Å; N60-L101 HydrophobicContact CB-CD2 4.05Å
61W98.1Very high94.2Very high31 Ų3161.8 Ų61.812%0.11732%0.322CS..EExtended strand (participates in β ladder)trans-133.6144.7-177.3-60.698000112.2A45 K49 L75 P76 W78 L79 H99 V100A45-W61 HydrophobicContact CB-CH2 4.47Å; A45-W61 HydrophobicContact CB-CZ2 3.94Å; K49-W61 HydrophobicContact CB-CZ2 4.41Å; K49-W61 HydrophobicContact CD-CH2 4.14Å; K49-W61 HydrophobicContact CD-CZ2 4.23Å; K49-W61 HydrophobicContact CD-CZ3 4.36Å; K49-W61 HydrophobicContact CG-CH2 3.97Å; K49-W61 HydrophobicContact CG-CZ2 4.04Å; W61-L75 HydrophobicContact CB-CD2 3.87Å; W61-P76 HydrophobicContact CD2-CG 4.31Å; W61-P76 HydrophobicContact CE3-CG 3.77Å; W61-P76 HydrophobicContact CZ3-CG 4.02Å; W61-W78 HydrophobicContact CZ2-CZ2 4.11Å; W61-L79 HydrophobicContact CB-CD1 3.54Å; W61-L79 HydrophobicContact CD2-CD1 4.03Å; W61-L79 HydrophobicContact CG-CD1 3.47Å; W61-L79 VanDerWaalsContact CG-CD1 3.47Å; W61-H99 PolarHBondContact O-CD2 3Å; W61-V100 HydrophobicContact CB-CB 4.35Å; W61-V100 PolarHBondContact N-O 2.96Å; W61-V100 PolarHBondContact O-N 2.85Å
62G96.3Very high94Very high3 Ų359.5 Ų59.53%0.03131%0.313CS..SBendtrans92.4-7.7179.100000114.4M70 E73 N98G62-M70 VanDerWaalsContact O-CE 3.29Å; G62-M70 WeakPolarHBondContact O-CE 3.43Å; G62-E73 CarbonylContact C-O 3.52Å; G62-E73 PolarHBondContact O-N 3.37Å; G62-E73 VanDerWaalsContact O-O 3.14Å; G62-N98 WeakPolarHBondContact CA-O 3.42Å
63G94.4Very high93.9Very high2 Ų257.7 Ų57.72%0.02131%0.305CS..EExtended strand (participates in β ladder)trans148.1-178170.700000113.3N60 P65 L71N60-G63 PolarHBondContact OD1-O 2.81Å; G63-P65 WeakPolarHBondContact O-CD 3.44Å; G63-L71 CarbonylContact C-O 3.45Å; G63-L71 WeakPolarHBondContact CA-O 3.21Å
64L91.9Very high93.9Very high80 Ų8063.4 Ų63.442%0.41933%0.327SS..EExtended strand (participates in β ladder)trans-108.2110.5177.7-66175.7000110.4R66 M70 L71L64-R66 PolarHBondContact O-N 3.37Å; L64-M70 WeakPolarHBondContact O-CA 3.3Å; L64-L71 PolarHBondContact N-O 2.66Å; L64-L71 PolarHBondContact O-N 2.87Å
65P91Very high94.2Very high50 Ų5058.4 Ų58.433%0.32529%0.292SS..EExtended strand (participates in β ladder)trans-51.1134.4169.5-32.739.9000112.6N60 G63 L119N60-P65 WeakPolarHBondContact ND2-CD 3.49Å; G63-P65 WeakPolarHBondContact O-CD 3.44Å; P65-L119 HydrophobicContact CB-CD2 3.5Å; P65-L119 HydrophobicContact CG-CD2 4.05Å
66R89.3Confident94.3Very high124 Ų12455.1 Ų55.147%0.46828%0.276SS..EExtended strand (participates in β ladder)trans-136.6164.1173.8-71.1-138.2-103-9510110.1L64 K68 G69L64-R66 PolarHBondContact O-N 3.37Å; R66-K68 PolarHBondContact O-N 2.89Å; R66-G69 CarbonylContact C-O 3.59Å; R66-G69 VanDerWaalsContact CA-O 3.28Å; R66-G69 WeakPolarHBondContact CA-O 3.37Å; R66-G69 WeakPolarHBondContact CB-O 3.22Å; R66-G69 PolarHBondContact N-O 2.93Å; R66-G69 PolarHBondContact O-N 2.85Å; R66-G69 VanDerWaalsContact O-N 3.14Å
67P85.5Confident94.3Very high139 Ų13958 Ų5890%0.90330%0.295SS*.THydrogen-bonded Turntrans-56.7-25.6-177.6-29.236.4000115.4
68K86.7Confident94.3Very high178 Ų17857.8 Ų57.877%0.77429%0.294SS*.THydrogen-bonded Turntrans-107.214.6-177.8-63.4-171.3178.1-176.60114.3R66 I224R66-K68 PolarHBondContact O-N 2.89Å; K68-I224 WeakPolarHBondContact O-CG2 3.38Å
69G91.8Very high94.3Very high2 Ų256.4 Ų56.42%0.02129%0.286CS..EExtended strand (participates in β ladder)trans132.2-166.1-173.700000111.9R66 I224R66-G69 CarbonylContact C-O 3.59Å; R66-G69 VanDerWaalsContact CA-O 3.28Å; R66-G69 WeakPolarHBondContact CA-O 3.37Å; R66-G69 WeakPolarHBondContact CB-O 3.22Å; R66-G69 PolarHBondContact N-O 2.93Å; R66-G69 PolarHBondContact O-N 2.85Å; R66-G69 VanDerWaalsContact O-N 3.14Å; G69-I224 CarbonylContact C-O 3.43Å; G69-I224 VanDerWaalsContact CA-O 3.26Å; G69-I224 WeakPolarHBondContact CA-O 3.39Å
70M95.1Very high94.3Very high2 Ų258.9 Ų58.91%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-112136.8178.4178.4174.871.900110.8G62 L64 G72 H99 V222 I224 V225 M226G62-M70 VanDerWaalsContact O-CE 3.29Å; G62-M70 WeakPolarHBondContact O-CE 3.43Å; L64-M70 WeakPolarHBondContact O-CA 3.3Å; M70-G72 PolarHBondContact O-N 3.04Å; M70-H99 HydrophobicContact CE-CB 4.29Å; M70-H99 HydrophobicContact SD-CB 4.08Å; M70-H99 PolarHBondContact SD-CD2 3.36Å; M70-V222 HydrophobicContact CB-CB 4.4Å; M70-V222 HydrophobicContact CB-CG1 3.77Å; M70-V222 HydrophobicContact CB-CG2 4.49Å; M70-V222 HydrophobicContact CE-CB 4.06Å; M70-V222 HydrophobicContact CE-CG2 4.09Å; M70-V222 HydrophobicContact SD-CB 4.49Å; M70-V222 HydrophobicContact SD-CG2 3.99Å; M70-I224 PolarHBondContact N-O 2.92Å; M70-V225 HydrophobicContact CE-CG2 4.14Å; M70-V225 CarbonylContact O-C 3.44Å; M70-V225 WeakPolarHBondContact O-CA 3.44Å; M70-M226 PolarHBondContact O-N 3.27Å
71L94.3Very high94.2Very high39 Ų3961.6 Ų61.620%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-74.6105.8162.3-17966.3000107.6G63 L64 A228G63-L71 CarbonylContact C-O 3.45Å; G63-L71 WeakPolarHBondContact CA-O 3.21Å; L64-L71 PolarHBondContact N-O 2.66Å; L64-L71 PolarHBondContact O-N 2.87Å; L71-A228 HydrophobicContact CD1-CB 4.19Å
72G93.3Very high94.2Very high29 Ų2960.5 Ų60.530%0.29931%0.305SS..EExtended strand (participates in β ladder)trans-72.1140.4-172.200000113.2M70 M226M70-G72 PolarHBondContact O-N 3.04Å; G72-M226 PolarHBondContact N-O 3.06Å; G72-M226 VanDerWaalsContact N-O 3.16Å
73E94.5Very high94.3Very high92 Ų9260.3 Ų60.343%0.4330%0.304SS..  trans-126.5155.4171.4-69.6178.2-163.800109.7K49 G62 L75K49-E73 IonicContact NZ-OE2 3.5Å; G62-E73 CarbonylContact C-O 3.52Å; G62-E73 PolarHBondContact O-N 3.37Å; G62-E73 VanDerWaalsContact O-O 3.14Å; E73-L75 PolarHBondContact O-N 3.16Å
74K94.9Very high94.4Very high172 Ų17265.3 Ų65.375%0.74833%0.327SS*.PPolyproline II helixtrans-64.3125.9175.2-172.9-175.5172.4-170.30109.4D77K74-D77 IonicContact NZ-OD1 3.68Å
75L96.9Very high94.6Very high14 Ų1466.2 Ų66.27%0.07332%0.324CS..PPolyproline II helixtrans-67.3139.4168.5-80.4170000110.2W61 E73 L79 V100W61-L75 HydrophobicContact CB-CD2 3.87Å; E73-L75 PolarHBondContact O-N 3.16Å; L75-L79 HydrophobicContact CD2-CB 4.45Å; L75-L79 HydrophobicContact CD2-CD1 4.27Å; L75-V100 HydrophobicContact CD2-CG2 4.16Å
76P97.3Very high94.9Very high29 Ų2963.8 Ų63.819%0.18831%0.309CS..PPolyproline II helixtrans-68.8147.3172.732.1-35.9000110.3W61 W78 L79 L80W61-P76 HydrophobicContact CD2-CG 4.31Å; W61-P76 HydrophobicContact CE3-CG 3.77Å; W61-P76 HydrophobicContact CZ3-CG 4.02Å; P76-W78 HydrophobicContact CB-CG 4.47Å; P76-W78 HydrophobicContact CG-CD2 4.49Å; P76-W78 HydrophobicContact CG-CZ2 4.21Å; P76-W78 VanDerWaalsContact CG-NE1 3.33Å; P76-W78 PolarHBondContact O-N 3.36Å; P76-W78 VanDerWaalsContact O-N 3.11Å; P76-L79 HydrophobicContact CG-CB 4.2Å; P76-L79 HydrophobicContact CG-CD1 3.82Å; P76-L79 HydrophobicContact CG-CG 4.11Å; P76-L79 PolarHBondContact O-N 3.37Å; P76-L80 PolarHBondContact O-N 3.46Å
77D97.4Very high95.2Very high108 Ų10858.7 Ų58.758%0.57829%0.292SS*.Hα-helixtrans-59-31.7-171.4-57.1-18000112.8K74 L79 L80 K81K74-D77 IonicContact NZ-OD1 3.68Å; D77-L79 PolarHBondContact O-N 2.78Å; D77-L80 PolarHBondContact O-N 2.81Å; D77-K81 PolarHBondContact O-N 3.05Å
78W97.4Very high95.6Very high48 Ų4855.4 Ų55.418%0.18228%0.277CS..Hα-helixtrans-65.6-21.7176.770.6-97.4000113.9L38 Q41 V42 W61 P76 Y82 L217L38-W78 HydrophobicContact CD2-CE3 3.69Å; L38-W78 HydrophobicContact CD2-CZ3 3.86Å; Q41-W78 HydrophobicContact CB-CD2 3.66Å; Q41-W78 HydrophobicContact CB-CE3 3.84Å; Q41-W78 HydrophobicContact CB-CG 3.99Å; Q41-W78 HydrophobicContact CB-CZ2 4.41Å; Q41-W78 HydrophobicContact CB-CZ3 4.26Å; Q41-W78 HydrophobicContact CG-CB 4.04Å; Q41-W78 HydrophobicContact CG-CD2 4.11Å; Q41-W78 HydrophobicContact CG-CE3 4.45Å; Q41-W78 HydrophobicContact CG-CG 3.91Å; V42-W78 HydrophobicContact CG2-CH2 3.92Å; V42-W78 HydrophobicContact CG2-CZ3 4.06Å; W61-W78 HydrophobicContact CZ2-CZ2 4.11Å; P76-W78 HydrophobicContact CB-CG 4.47Å; P76-W78 HydrophobicContact CG-CD2 4.49Å; P76-W78 HydrophobicContact CG-CZ2 4.21Å; P76-W78 VanDerWaalsContact CG-NE1 3.33Å; P76-W78 PolarHBondContact O-N 3.36Å; P76-W78 VanDerWaalsContact O-N 3.11Å; W78-Y82 WeakPolarHBondContact O-CD2 3.45Å; W78-Y82 VanDerWaalsContact O-CE2 3.28Å; W78-Y82 WeakPolarHBondContact O-CE2 3.41Å; W78-L217 HydrophobicContact CZ3-CD2 4.38Å
79L98.4Very high95.9Very high1 Ų149 Ų491%0.00525%0.25CS..Hα-helixtrans-94.1-38.2170.3-75.3175.7000111.7W61 L75 P76 D77 K81 Y82 C83 V100 L217W61-L79 HydrophobicContact CB-CD1 3.54Å; W61-L79 HydrophobicContact CD2-CD1 4.03Å; W61-L79 HydrophobicContact CG-CD1 3.47Å; W61-L79 VanDerWaalsContact CG-CD1 3.47Å; L75-L79 HydrophobicContact CD2-CB 4.45Å; L75-L79 HydrophobicContact CD2-CD1 4.27Å; P76-L79 HydrophobicContact CG-CB 4.2Å; P76-L79 HydrophobicContact CG-CD1 3.82Å; P76-L79 HydrophobicContact CG-CG 4.11Å; P76-L79 PolarHBondContact O-N 3.37Å; D77-L79 PolarHBondContact O-N 2.78Å; L79-K81 VanDerWaalsContact C-N 3.27Å; L79-K81 PolarHBondContact O-N 3.02Å; L79-Y82 PolarHBondContact O-N 2.89Å; L79-C83 PolarHBondContact O-N 3.44Å; L79-V100 HydrophobicContact CD1-CB 4.1Å; L79-V100 HydrophobicContact CD1-CG1 4.37Å; L79-V100 HydrophobicContact CD1-CG2 4.28Å; L79-V100 HydrophobicContact CD2-CB 4.45Å; L79-V100 HydrophobicContact CD2-CG1 4.01Å; L79-V100 HydrophobicContact CD2-CG2 4.37Å; L79-L217 HydrophobicContact CD2-CD2 3.62Å; L79-L217 HydrophobicContact CD2-CG 4.37Å
80L97.5Very high95.9Very high54 Ų5449.2 Ų49.228%0.28325%0.253SS..Hα-helixtrans-55.6-42.9-175.8-175.961.2000111.9P76 D77 Y82 C83 E84P76-L80 PolarHBondContact O-N 3.46Å; D77-L80 PolarHBondContact O-N 2.81Å; L80-Y82 VanDerWaalsContact C-N 3.26Å; L80-Y82 PolarHBondContact O-N 2.95Å; L80-C83 WeakPolarHBondContact O-CB 3.46Å; L80-C83 PolarHBondContact O-N 2.9Å; L80-C83 VanDerWaalsContact O-N 3.15Å; L80-E84 HydrophobicContact CD1-CG 4.31Å; L80-E84 HydrophobicContact CG-CG 4.43Å; L80-E84 WeakPolarHBondContact O-CG 3.28Å; L80-E84 PolarHBondContact O-N 3.33Å
81K96.4Very high95.7Very high96 Ų9649.1 Ų49.142%0.41725%0.253SS..Hα-helixtrans-50.4-44.6174.6178.4-171.2168.2-163.70112.5E34 D77 L79 R85E34-K81 IonicContact OE1-NZ 2.69Å; E34-K81 PolarHBondContact OE1-NZ 2.92Å; D77-K81 PolarHBondContact O-N 3.05Å; L79-K81 VanDerWaalsContact C-N 3.27Å; L79-K81 PolarHBondContact O-N 3.02Å; K81-R85 WeakPolarHBondContact O-CB 3.49Å; K81-R85 PolarHBondContact O-N 2.73Å
82Y98.2Very high95.6Very high8 Ų847.3 Ų47.33%0.03124%0.243CC..Hα-helixtrans-79.4-33.9-178.3-61-77.4000112.2I30 E34 L38 W78 L79 L80 E84 R85 I86 I127I30-Y82 HydrophobicContact CG2-CD1 4.11Å; I30-Y82 HydrophobicContact CG2-CE1 3.67Å; E34-Y82 WeakPolarHBondContact CB-OH 3.43Å; L38-Y82 HydrophobicContact CD1-CD2 4.38Å; L38-Y82 HydrophobicContact CD1-CE1 4.13Å; L38-Y82 HydrophobicContact CD1-CE2 3.82Å; L38-Y82 HydrophobicContact CD2-CD2 3.83Å; L38-Y82 HydrophobicContact CD2-CE2 3.34Å; L38-Y82 HydrophobicContact CG-CD2 4.47Å; L38-Y82 HydrophobicContact CG-CE2 3.66Å; W78-Y82 WeakPolarHBondContact O-CD2 3.45Å; W78-Y82 VanDerWaalsContact O-CE2 3.28Å; W78-Y82 WeakPolarHBondContact O-CE2 3.41Å; L79-Y82 PolarHBondContact O-N 2.89Å; L80-Y82 VanDerWaalsContact C-N 3.26Å; L80-Y82 PolarHBondContact O-N 2.95Å; Y82-E84 VanDerWaalsContact C-N 3.34Å; Y82-R85 PolarHBondContact O-N 3.1Å; Y82-I86 WeakPolarHBondContact O-CB 3.42Å; Y82-I86 VanDerWaalsContact O-CG1 3.26Å; Y82-I86 WeakPolarHBondContact O-CG1 3.21Å; Y82-I86 PolarHBondContact O-N 3.45Å; Y82-I127 HydrophobicContact CD1-CD1 3.97Å; Y82-I127 HydrophobicContact CG-CD1 4.15Å
83C98.1Very high95.5Very high0 Ų048.3 Ų48.30%025%0.249CC..Hα-helixtrans-57.5-47.7170.1-70.90000111.4L79 L80 S87 A97 V219L79-C83 PolarHBondContact O-N 3.44Å; L80-C83 WeakPolarHBondContact O-CB 3.46Å; L80-C83 PolarHBondContact O-N 2.9Å; L80-C83 VanDerWaalsContact O-N 3.15Å; C83-S87 VanDerWaalsContact O-CB 3.26Å; C83-S87 WeakPolarHBondContact O-CB 3.42Å; C83-S87 PolarHBondContact O-N 2.97Å; C83-S87 PolarHBondContact O-OG 3.02Å; C83-A97 HydrophobicContact CB-CB 3.83Å; C83-V219 HydrophobicContact CB-CG1 4.42Å
84E96.6Very high95.3Very high107 Ų10747.1 Ų47.150%0.526%0.261SS..Hα-helixtrans-64.4-46.4177.7-70.8173.3171.600111.6L80 Y82 I86 S87 A88L80-E84 HydrophobicContact CD1-CG 4.31Å; L80-E84 HydrophobicContact CG-CG 4.43Å; L80-E84 WeakPolarHBondContact O-CG 3.28Å; L80-E84 PolarHBondContact O-N 3.33Å; Y82-E84 VanDerWaalsContact C-N 3.34Å; E84-I86 PolarHBondContact O-N 2.62Å; E84-S87 PolarHBondContact O-N 2.95Å; E84-A88 WeakPolarHBondContact O-CB 3.39Å; E84-A88 PolarHBondContact O-N 3.3Å
85R96.4Very high95.2Very high98 Ų9843.1 Ų43.137%0.3724%0.243SC..Hα-helixtrans-60.2-43.2178.8-170.9178.7174.1-166.8-8.2112.4F29 E34 K81 Y82F29-R85 HydrophobicContact CE2-CG 4.4Å; F29-R85 HydrophobicContact CZ-CG 3.9Å; F29-R85 PolarHBondContact O-NH1 2.77Å; F29-R85 VanDerWaalsContact O-NH1 3.07Å; F29-R85 PolarHBondContact O-NH2 2.91Å; E34-R85 IonicContact OE1-NH1 3.79Å; E34-R85 IonicContact OE2-NH1 3.62Å; E34-R85 PolarHBondContact OE2-NH1 2.76Å; K81-R85 WeakPolarHBondContact O-CB 3.49Å; K81-R85 PolarHBondContact O-N 2.73Å; Y82-R85 PolarHBondContact O-N 3.1Å
86I96.7Very high95.1Very high0 Ų046.3 Ų46.30%026%0.264CS..Hα-helixtrans-69.2-42.6176.5-67.6168.1000110.6F29 Y82 E84 A88 L89 A91 F92 T125 I127 L168 V219F29-I86 HydrophobicContact CE1-CG1 4.06Å; F29-I86 HydrophobicContact CZ-CG1 3.91Å; Y82-I86 WeakPolarHBondContact O-CB 3.42Å; Y82-I86 VanDerWaalsContact O-CG1 3.26Å; Y82-I86 WeakPolarHBondContact O-CG1 3.21Å; Y82-I86 PolarHBondContact O-N 3.45Å; E84-I86 PolarHBondContact O-N 2.62Å; I86-A88 VanDerWaalsContact C-N 3.27Å; I86-A88 PolarHBondContact O-N 2.91Å; I86-L89 VanDerWaalsContact O-CB 3.3Å; I86-L89 WeakPolarHBondContact O-CB 3.31Å; I86-L89 PolarHBondContact O-N 2.99Å; I86-L89 VanDerWaalsContact O-N 3.11Å; I86-A91 HydrophobicContact CG2-CB 4.02Å; I86-F92 HydrophobicContact CG2-CE2 3.7Å; I86-F92 HydrophobicContact CG2-CZ 4.12Å; I86-T125 HydrophobicContact CG2-CG2 3.75Å; I86-I127 HydrophobicContact CD1-CD1 4.02Å; I86-I127 HydrophobicContact CD1-CG1 4.12Å; I86-L168 HydrophobicContact CD1-CD1 3.83Å; I86-L168 HydrophobicContact CG1-CD1 4.11Å; I86-L168 HydrophobicContact CG1-CD2 4.16Å; I86-V219 HydrophobicContact CD1-CB 3.93Å; I86-V219 HydrophobicContact CD1-CG1 4.1Å; I86-V219 HydrophobicContact CD1-CG2 3.95Å
87S95.8Very high95.1Very high16 Ų1645 Ų4511%0.11226%0.256CS..Hα-helixtrans-60.6-36.7176.4-81.90000112.8C83 E84 L89 G90 F92 K95 T96 A97C83-S87 VanDerWaalsContact O-CB 3.26Å; C83-S87 WeakPolarHBondContact O-CB 3.42Å; C83-S87 PolarHBondContact O-N 2.97Å; C83-S87 PolarHBondContact O-OG 3.02Å; E84-S87 PolarHBondContact O-N 2.95Å; S87-L89 PolarHBondContact O-N 3.44Å; S87-G90 PolarHBondContact O-N 2.83Å; S87-F92 WeakPolarHBondContact OG-CD2 3.5Å; S87-K95 PolarHBondContact OG-O 3.17Å; S87-T96 VanDerWaalsContact OG-CA 3.28Å; S87-T96 WeakPolarHBondContact OG-CA 3.47Å; S87-A97 PolarHBondContact OG-N 3.37Å
88A94Very high95.1Very high71 Ų7141.6 Ų41.659%0.58724%0.237SC*.Hα-helixtrans-64-21.3176.800000113.2E84 I86 G90E84-A88 WeakPolarHBondContact O-CB 3.39Å; E84-A88 PolarHBondContact O-N 3.3Å; I86-A88 VanDerWaalsContact C-N 3.27Å; I86-A88 PolarHBondContact O-N 2.91Å; A88-G90 PolarHBondContact O-N 2.89Å
89L92.9Very high95.1Very high42 Ų4239.3 Ų39.322%0.2223%0.229CC..THydrogen-bonded Turntrans-71.9-7.3171.5-56.7174.4000113L11 I26 F29 I86 S87 A91 L168 I170L11-L89 HydrophobicContact CD1-CB 4.11Å; L11-L89 WeakPolarHBondContact CD1-O 3.36Å; I26-L89 HydrophobicContact CD1-CD1 4.17Å; F29-L89 HydrophobicContact CE2-CD1 4.04Å; I86-L89 VanDerWaalsContact O-CB 3.3Å; I86-L89 WeakPolarHBondContact O-CB 3.31Å; I86-L89 PolarHBondContact O-N 2.99Å; I86-L89 VanDerWaalsContact O-N 3.11Å; S87-L89 PolarHBondContact O-N 3.44Å; L89-A91 VanDerWaalsContact C-N 3.33Å; L89-L168 HydrophobicContact CD1-CD2 3.65Å; L89-I170 HydrophobicContact CD1-CD1 4.29Å
90G91.3Very high95.1Very high7 Ų739.3 Ų39.37%0.07223%0.228CC..THydrogen-bonded Turntrans83.36.1-174.900000114.1S87 A88 F92 A93S87-G90 PolarHBondContact O-N 2.83Å; A88-G90 PolarHBondContact O-N 2.89Å; G90-F92 PolarHBondContact O-N 3.16Å; G90-A93 PolarHBondContact O-N 2.91Å
91A91.3Very high95.2Very high1 Ų138 Ų381%0.00822%0.222CC..THydrogen-bonded Turntrans-53.9-27.9-175.200000114.1I86 L89 T123 T125 I170 Q172I86-A91 HydrophobicContact CG2-CB 4.02Å; L89-A91 VanDerWaalsContact C-N 3.33Å; A91-T123 WeakPolarHBondContact O-CB 3.36Å; A91-T123 VanDerWaalsContact O-CG2 3.23Å; A91-T123 WeakPolarHBondContact O-CG2 3.32Å; A91-T123 PolarHBondContact O-OG1 2.82Å; A91-T123 VanDerWaalsContact O-OG1 3.13Å; A91-T125 HydrophobicContact CB-CG2 4Å; A91-I170 HydrophobicContact CB-CD1 4.39Å; A91-Q172 PolarHBondContact O-NE2 3.15Å
92F93.2Very high95.3Very high0 Ų033.5 Ų33.50%020%0.202CC..THydrogen-bonded Turntrans-114.730-179.1-49.2-71.4000113.3I86 S87 G90 G94 K95 A97 H121 T123 T125 V219 H221I86-F92 HydrophobicContact CG2-CE2 3.7Å; I86-F92 HydrophobicContact CG2-CZ 4.12Å; S87-F92 WeakPolarHBondContact OG-CD2 3.5Å; G90-F92 PolarHBondContact O-N 3.16Å; F92-G94 PolarHBondContact O-N 2.97Å; F92-K95 HydrophobicContact CB-CB 4.1Å; F92-K95 WeakPolarHBondContact CB-O 3.39Å; F92-K95 VanDerWaalsContact O-CB 3.26Å; F92-K95 WeakPolarHBondContact O-CB 3.43Å; F92-K95 WeakPolarHBondContact O-CG 3.32Å; F92-K95 PolarHBondContact O-N 2.79Å; F92-A97 HydrophobicContact CD2-CB 4.16Å; F92-A97 HydrophobicContact CE2-CB 3.63Å; F92-A97 HydrophobicContact CZ-CB 4.14Å; F92-H121 HydrophobicContact CD1-CB 4.46Å; F92-T123 HydrophobicContact CD1-CG2 4.37Å; F92-T123 HydrophobicContact CE1-CG2 4.21Å; F92-T125 HydrophobicContact CE1-CG2 4.11Å; F92-T125 HydrophobicContact CE2-CG2 4.49Å; F92-T125 HydrophobicContact CZ-CG2 3.72Å; F92-V219 HydrophobicContact CZ-CG1 4.5Å; F92-H221 HydrophobicContact CB-CB 4.2Å; F92-H221 HydrophobicContact CD1-CB 3.95Å; F92-H221 HydrophobicContact CG-CB 4.03Å
93A90.4Very high95.3Very high51 Ų5133.6 Ų33.642%0.42120%0.203SC..THydrogen-bonded Turntrans50.652.917600000112.9G90 K95G90-A93 PolarHBondContact O-N 2.91Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 2.91Å
94G89.8Confident95.3Very high66 Ų6633.9 Ų33.968%0.6821%0.205SC*.THydrogen-bonded Turntrans80.81.6-179.400000115.7F92F92-G94 PolarHBondContact O-N 2.97Å
95K92.9Very high95.4Very high88 Ų8829.6 Ų29.638%0.38318%0.184SC..PPolyproline II helixtrans-94.6153.7178.5-57.2165.2-167.6144.80112S87 F92 A93 H121S87-K95 PolarHBondContact OG-O 3.17Å; F92-K95 HydrophobicContact CB-CB 4.1Å; F92-K95 WeakPolarHBondContact CB-O 3.39Å; F92-K95 VanDerWaalsContact O-CB 3.26Å; F92-K95 WeakPolarHBondContact O-CB 3.43Å; F92-K95 WeakPolarHBondContact O-CG 3.32Å; F92-K95 PolarHBondContact O-N 2.79Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 2.91Å; K95-H121 PolarHBondContact NZ-CD2 3.3Å; K95-H121 PolarHBondContact NZ-NE2 3.13Å; K95-H121 VanDerWaalsContact NZ-NE2 3.19Å
96T94.6Very high95.5Very high82 Ų8230 Ų3050%0.50319%0.188SC..PPolyproline II helixtrans-91.4129.2176.7-47.60000111S87 N98 H221S87-T96 VanDerWaalsContact OG-CA 3.28Å; S87-T96 WeakPolarHBondContact OG-CA 3.47Å; T96-N98 PolarHBondContact O-N 2.9Å; T96-H221 PolarHBondContact O-ND1 2.93Å
97A97.6Very high95.6Very high2 Ų232.2 Ų32.22%0.01720%0.203CC..PPolyproline II helixtrans-59135.5170.700000110.7C83 S87 F92 V219 R220C83-A97 HydrophobicContact CB-CB 3.83Å; S87-A97 PolarHBondContact OG-N 3.37Å; F92-A97 HydrophobicContact CD2-CB 4.16Å; F92-A97 HydrophobicContact CE2-CB 3.63Å; F92-A97 HydrophobicContact CZ-CB 4.14Å; A97-V219 HydrophobicContact CB-CG1 3.44Å; A97-V219 VanDerWaalsContact CB-CG1 3.44Å; A97-R220 CarbonylContact C-O 3.56Å; A97-R220 WeakPolarHBondContact CA-O 3.4Å; A97-R220 WeakPolarHBondContact CB-O 3.48Å
98N97.3Very high95.8Very high36 Ų3632.9 Ų32.919%0.19321%0.213CC..  trans-1344.7-173.163.75.8000112.9G62 T96 R220 V222 V225G62-N98 WeakPolarHBondContact CA-O 3.42Å; T96-N98 PolarHBondContact O-N 2.9Å; N98-R220 PolarHBondContact N-O 3.35Å; N98-V222 PolarHBondContact ND2-O 2.95Å; N98-V222 PolarHBondContact OD1-N 2.96Å; N98-V225 WeakPolarHBondContact ND2-CG2 3.26Å
99H98.1Very high96Very high0 Ų031.3 Ų31.30%019%0.193CC..EExtended strand (participates in β ladder)trans-144.3136.7-177.6-169.1-115.9000110.8N60 W61 M70 Y120 R220 V222N60-H99 PolarHBondContact OD1-NE2 2.93Å; W61-H99 PolarHBondContact O-CD2 3Å; M70-H99 HydrophobicContact CE-CB 4.29Å; M70-H99 HydrophobicContact SD-CB 4.08Å; M70-H99 PolarHBondContact SD-CD2 3.36Å; H99-Y120 AromaticContact ND1-CE1 3.52Å; H99-R220 PolarHBondContact N-O 2.65Å; H99-R220 VanDerWaalsContact N-O 3.16Å; H99-R220 PolarHBondContact O-N 3.3Å; H99-V222 HydrophobicContact CB-CG2 3.83Å
100V98.6Very high96.2Very high0 Ų029.6 Ų29.60%019%0.186CC..EExtended strand (participates in β ladder)trans-135.7128.5178.6-172.80000110.3W61 L75 L79 V102 L217 T218 V219W61-V100 HydrophobicContact CB-CB 4.35Å; W61-V100 PolarHBondContact N-O 2.96Å; W61-V100 PolarHBondContact O-N 2.85Å; L75-V100 HydrophobicContact CD2-CG2 4.16Å; L79-V100 HydrophobicContact CD1-CB 4.1Å; L79-V100 HydrophobicContact CD1-CG1 4.37Å; L79-V100 HydrophobicContact CD1-CG2 4.28Å; L79-V100 HydrophobicContact CD2-CB 4.45Å; L79-V100 HydrophobicContact CD2-CG1 4.01Å; L79-V100 HydrophobicContact CD2-CG2 4.37Å; V100-V102 HydrophobicContact CG1-CG2 4.41Å; V100-L217 HydrophobicContact CG1-CB 4.17Å; V100-L217 HydrophobicContact CG1-CG 4.39Å; V100-T218 WeakPolarHBondContact CA-O 3.43Å; V100-V219 HydrophobicContact CG1-CG2 4.15Å; V100-V219 HydrophobicContact CG2-CG1 4.49Å; V100-V219 HydrophobicContact CG2-CG2 4.05Å
101L98.4Very high96.5Very high28 Ų2830.4 Ų30.415%0.14719%0.188CC..EExtended strand (participates in β ladder)trans-105124.8168.1-65.2-176.2000109.5L58 Q59 N60 T218L58-L101 HydrophobicContact CD1-CB 3.98Å; L58-L101 HydrophobicContact CD1-CD2 4.19Å; L58-L101 HydrophobicContact CD1-CG 4.46Å; Q59-L101 WeakPolarHBondContact O-CA 3.5Å; N60-L101 HydrophobicContact CB-CD2 4.05Å; L101-T218 PolarHBondContact N-O 2.95Å; L101-T218 PolarHBondContact O-N 3.49Å
102V98.8Very high96.7Very high0 Ų037.1 Ų37.10%022%0.221CC..EExtended strand (participates in β ladder)trans-101.8117.4174.2-1760000108.5V42 L58 Q59 V100 V215 S216 L217V42-V102 HydrophobicContact CG1-CG1 3.83Å; V42-V102 HydrophobicContact CG2-CG1 3.93Å; V42-V102 HydrophobicContact CG2-CG2 4.48Å; L58-V102 CarbonylContact C-O 3.58Å; L58-V102 VanDerWaalsContact CA-O 3.26Å; L58-V102 WeakPolarHBondContact CA-O 3.27Å; Q59-V102 HydrophobicContact CB-CB 3.94Å; Q59-V102 HydrophobicContact CB-CG2 4.36Å; Q59-V102 HydrophobicContact CG-CB 4.12Å; Q59-V102 PolarHBondContact N-O 2.97Å; Q59-V102 PolarHBondContact O-N 2.83Å; V100-V102 HydrophobicContact CG1-CG2 4.41Å; V102-V215 HydrophobicContact CG1-CG1 3.6Å; V102-S216 CarbonylContact C-O 3.58Å; V102-S216 VanDerWaalsContact CA-O 3.27Å; V102-S216 WeakPolarHBondContact CA-O 3.45Å; V102-L217 HydrophobicContact CG1-CD1 4.39Å; V102-L217 HydrophobicContact CG2-CG 4.23Å
103N98.7Very high96.9Very high11 Ų1138.4 Ų38.46%0.05923%0.23CC..EExtended strand (participates in β ladder)trans-109.2134.9174.9-66.8-91.1000109.7R56 R57 L58 Y105 V215 S216R56-N103 PolarHBondContact NE-OD1 2.94Å; R57-N103 WeakPolarHBondContact O-CA 3.33Å; L58-N103 WeakPolarHBondContact CD1-OD1 3.44Å; N103-Y105 HydrophobicContact CB-CD2 4.26Å; N103-Y105 HydrophobicContact CB-CE2 3.41Å; N103-Y105 VanDerWaalsContact CB-CE2 3.41Å; N103-V215 CarbonylContact O-C 3.55Å; N103-V215 VanDerWaalsContact O-CA 3.26Å; N103-V215 WeakPolarHBondContact O-CA 3.39Å; N103-S216 PolarHBondContact N-O 2.87Å; N103-S216 PolarHBondContact O-N 3.19Å
104E98.8Very high97.1Very high6 Ų638.8 Ų38.83%0.02822%0.222CC..EExtended strand (participates in β ladder)trans-109.4135.2166.7174.8-176.197.900109.8Y43 W50 R56 R57 T213 R214 V215Y43-E104 WeakPolarHBondContact CE1-OE2 3.38Å; Y43-E104 PolarHBondContact OH-OE2 2.92Å; W50-E104 HydrophobicContact CH2-CB 4.24Å; W50-E104 HydrophobicContact CZ3-CB 4.16Å; R56-E104 WeakPolarHBondContact CB-O 3.29Å; R57-E104 WeakPolarHBondContact CD-OE1 3.26Å; R57-E104 HydrophobicContact CG-CB 3.76Å; R57-E104 HydrophobicContact CG-CG 4.43Å; R57-E104 IonicContact CZ-OE1 3.86Å; R57-E104 IonicContact CZ-OE2 3.49Å; R57-E104 PolarHBondContact N-O 2.77Å; R57-E104 IonicContact NE-OE1 3.47Å; R57-E104 PolarHBondContact NE-OE1 3.33Å; R57-E104 IonicContact NE-OE2 2.72Å; R57-E104 PolarHBondContact NE-OE2 2.93Å; R57-E104 IonicContact NH1-OE1 3.85Å; R57-E104 VanDerWaalsContact NH2-CD 3.3Å; R57-E104 IonicContact NH2-OE1 2.7Å; R57-E104 PolarHBondContact NH2-OE1 3.02Å; R57-E104 IonicContact NH2-OE2 3.44Å; R57-E104 PolarHBondContact NH2-OE2 3.37Å; R57-E104 PolarHBondContact O-N 3.03Å; E104-T213 HydrophobicContact CG-CG2 3.76Å; E104-R214 CarbonylContact C-O 3.5Å; E104-R214 WeakPolarHBondContact CA-O 3.31Å; E104-V215 HydrophobicContact CB-CG2 4.21Å; E104-V215 HydrophobicContact CG-CG2 4.3Å
105Y98.7Very high97.3Very high16 Ų1640.9 Ų40.96%0.06322%0.215CC..EExtended strand (participates in β ladder)trans-127124173.6-56.1-96.4000109.2R56 N103 E109 I111 I183 T213 R214R56-Y105 HydrophobicContact CB-CD1 3.9Å; R56-Y105 HydrophobicContact CB-CE1 3.87Å; R56-Y105 VanDerWaalsContact CD-CZ 3.46Å; R56-Y105 WeakPolarHBondContact CD-OH 3.41Å; R56-Y105 HydrophobicContact CG-CE1 4.26Å; N103-Y105 HydrophobicContact CB-CD2 4.26Å; N103-Y105 HydrophobicContact CB-CE2 3.41Å; N103-Y105 VanDerWaalsContact CB-CE2 3.41Å; Y105-E109 WeakPolarHBondContact CA-OE2 3.37Å; Y105-E109 HydrophobicContact CD1-CB 4.44Å; Y105-I111 HydrophobicContact CE1-CB 4.36Å; Y105-I111 HydrophobicContact CE1-CG2 4.41Å; Y105-I183 HydrophobicContact CE1-CD1 4.18Å; Y105-I183 HydrophobicContact CE2-CD1 4.12Å; Y105-T213 CarbonylContact O-C 3.53Å; Y105-T213 WeakPolarHBondContact O-CA 3.43Å; Y105-R214 PolarHBondContact N-O 2.84Å; Y105-R214 PolarHBondContact O-N 2.82Å
106K98.6Very high97Very high107 Ų10738.3 Ų38.347%0.46521%0.205SC..  trans-80.8166166.9-65.8175.6-177172.60110.4G108 E109K106-G108 PolarHBondContact O-N 2.84Å; K106-E109 HydrophobicContact CB-CG 4.22Å; K106-E109 PolarHBondContact N-OE2 2.81Å; K106-E109 VanDerWaalsContact O-CB 3.27Å; K106-E109 WeakPolarHBondContact O-CB 3.26Å; K106-E109 PolarHBondContact O-N 2.75Å
107P98.6Very high96.6Very high46 Ų4635.7 Ų35.730%0.29920%0.195SC..THydrogen-bonded Turntrans-54.9132170.1-25.536.3000111E109 H187 R211P107-E109 VanDerWaalsContact C-N 3.32Å; P107-H187 WeakPolarHBondContact CB-ND1 3.35Å; P107-H187 PolarHBondContact O-CE1 2.74Å; P107-R211 VanDerWaalsContact CG-O 3.26Å; P107-R211 WeakPolarHBondContact CG-O 3.16Å
108G98.3Very high96.1Very high31 Ų3142.1 Ų42.132%0.3224%0.236SC..THydrogen-bonded Turntrans87.7-13.3-174.100000115.1K106 G185 T186K106-G108 PolarHBondContact O-N 2.84Å; G108-G185 CarbonylContact O-C 3.5Å; G108-G185 WeakPolarHBondContact O-CA 3.35Å; G108-T186 WeakPolarHBondContact CA-O 3.35Å; G108-T186 PolarHBondContact N-O 3.43Å
109E98.4Very high95.8Very high37 Ų3742.2 Ų42.217%0.17324%0.236CC..  trans-85.2157.2176-76.2-175.6164.300112.3N55 Y105 K106 P107N55-E109 WeakPolarHBondContact O-CB 3.48Å; N55-E109 VanDerWaalsContact O-CG 3.24Å; N55-E109 WeakPolarHBondContact O-CG 3.01Å; Y105-E109 WeakPolarHBondContact CA-OE2 3.37Å; Y105-E109 HydrophobicContact CD1-CB 4.44Å; K106-E109 HydrophobicContact CB-CG 4.22Å; K106-E109 PolarHBondContact N-OE2 2.81Å; K106-E109 VanDerWaalsContact O-CB 3.27Å; K106-E109 WeakPolarHBondContact O-CB 3.26Å; K106-E109 PolarHBondContact O-N 2.75Å; P107-E109 VanDerWaalsContact C-N 3.32Å
110G97.9Very high95.4Very high7 Ų743.6 Ų43.67%0.07224%0.242CC..  trans-169.7-173.5-172.900000113.7I183G110-I183 CarbonylContact C-O 3.51Å; G110-I183 WeakPolarHBondContact CA-O 3.47Å
111I97.6Very high95.1Very high24 Ų2444.5 Ų44.512%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-143.6132175.7-170.5170.8000109.3R56 Y105 H114 G182 I183R56-I111 VanDerWaalsContact NH1-CD1 3.28Å; Y105-I111 HydrophobicContact CE1-CB 4.36Å; Y105-I111 HydrophobicContact CE1-CG2 4.41Å; I111-H114 WeakPolarHBondContact CD1-CE1 3.47Å; I111-G182 WeakPolarHBondContact O-CA 3.49Å; I111-I183 HydrophobicContact CG2-CB 4.04Å; I111-I183 HydrophobicContact CG2-CD1 4.27Å; I111-I183 HydrophobicContact CG2-CG1 4.15Å; I111-I183 PolarHBondContact N-O 3.42Å; I111-I183 PolarHBondContact O-N 3.37Å
112M96.1Very high94.8Very high141 Ų14145.5 Ų45.570%0.69525%0.254SS*.EExtended strand (participates in β ladder)trans-61156.2178.8-55.7-64.7-73.900110.8H114M112-H114 PolarHBondContact O-N 2.93Å; M112-H114 PolarHBondContact O-ND1 2.76Å
113P96.9Very high94.5Very high28 Ų2845.6 Ų45.618%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-51.8123.1173.4-27.435.9000112Y138 E153 L180 H181P113-Y138 HydrophobicContact CB-CD2 3.79Å; P113-Y138 HydrophobicContact CB-CE2 4.05Å; P113-Y138 HydrophobicContact CB-CG 4.39Å; P113-Y138 HydrophobicContact CG-CD2 3.74Å; P113-Y138 HydrophobicContact CG-CE1 4.49Å; P113-Y138 HydrophobicContact CG-CE2 3.54Å; P113-Y138 HydrophobicContact CG-CG 4.31Å; P113-E153 HydrophobicContact CG-CG 4.39Å; P113-L180 HydrophobicContact CB-CB 3.91Å; P113-L180 HydrophobicContact CB-CD1 4.31Å; P113-H181 CarbonylContact C-O 3.55Å; P113-H181 VanDerWaalsContact CA-O 3.31Å; P113-H181 WeakPolarHBondContact CA-O 3.4Å
114H94.8Very high94.3Very high58 Ų5845.5 Ų45.527%0.26926%0.255SS..EExtended strand (participates in β ladder)trans-150.4169.6-175.467-63.4000112I111 M112 L180 H181I111-H114 WeakPolarHBondContact CD1-CE1 3.47Å; M112-H114 PolarHBondContact O-N 2.93Å; M112-H114 PolarHBondContact O-ND1 2.76Å; H114-L180 WeakPolarHBondContact O-CA 3.28Å; H114-H181 AromaticContact CE1-CD2 3.58Å; H114-H181 AromaticContact CE1-NE2 3.42Å; H114-H181 PolarHBondContact CE1-NE2 3.38Å; H114-H181 PolarHBondContact CE1-O 2.96Å; H114-H181 PolarHBondContact N-O 3.42Å; H114-H181 PolarHBondContact ND1-O 3.47Å; H114-H181 AromaticContact NE2-NE2 3.47Å; H114-H181 PolarHBondContact NE2-NE2 3.44Å; H114-H181 PolarHBondContact O-N 2.88Å; H114-H181 PolarHBondContact O-ND1 2.72Å
115E93.4Very high94.3Very high111 Ų11145.2 Ų45.252%0.51925%0.253SS..  trans-105.1157.8169.5-57.3179.5173.200110.3G117 L180E115-G117 VanDerWaalsContact C-N 3.33Å; E115-L180 HydrophobicContact CG-CD2 3.46Å; E115-L180 VanDerWaalsContact CG-CD2 3.46Å
116D87.6Confident94.3Very high33 Ų3345.5 Ų45.518%0.17626%0.256CS..  trans-78.2-16.1179.3-88.3-44.4000115Y120 Y176 H181 R220D116-Y120 WeakPolarHBondContact O-CE2 3.42Å; D116-Y176 HydrophobicContact CB-CE2 4.39Å; D116-H181 IonicContact OD1-CE1 3.37Å; D116-H181 IonicContact OD2-CE1 3.01Å; D116-R220 VanDerWaalsContact CG-CZ 3.43Å; D116-R220 IonicContact OD1-CZ 3.56Å; D116-R220 IonicContact OD1-NH1 3.25Å; D116-R220 PolarHBondContact OD1-NH1 2.84Å; D116-R220 IonicContact OD1-NH2 2.9Å; D116-R220 PolarHBondContact OD1-NH2 3.07Å; D116-R220 IonicContact OD2-CZ 3.22Å; D116-R220 IonicContact OD2-NH1 2.86Å; D116-R220 IonicContact OD2-NH2 3.7Å; D116-R220 PolarHBondContact OD2-NH2 3.44Å
117G85.6Confident94.3Very high28 Ų2840.4 Ų40.429%0.28923%0.234SC..  trans84.8165.1-178.700000114.7E115 L119 Y176E115-G117 VanDerWaalsContact C-N 3.33Å; G117-L119 VanDerWaalsContact C-N 3.3Å; G117-L119 PolarHBondContact O-N 2.91Å; G117-Y176 PolarHBondContact O-OH 3.03Å
118P87.6Confident94.3Very high137 Ų13738.2 Ų38.289%0.8922%0.22SC*.THydrogen-bonded Turntrans-82.70.6-166.133.3-38000114.6Y120P118-Y120 VanDerWaalsContact C-N 3.32Å; P118-Y120 PolarHBondContact O-N 3.16Å
119L89.6Confident94.4Very high38 Ų3836.7 Ų36.720%0.19921%0.205CC..THydrogen-bonded Turntrans-71.3-26.1-172179.662.3000113.5P65 G117 V222 P223P65-L119 HydrophobicContact CB-CD2 3.5Å; P65-L119 HydrophobicContact CG-CD2 4.05Å; G117-L119 VanDerWaalsContact C-N 3.3Å; G117-L119 PolarHBondContact O-N 2.91Å; L119-V222 HydrophobicContact CD1-CG1 3.91Å; L119-V222 HydrophobicContact CG-CG1 3.99Å; L119-V222 HydrophobicContact CG-CG2 4.48Å; L119-P223 VanDerWaalsContact O-CD 3.28Å; L119-P223 WeakPolarHBondContact O-CD 3.44Å
120Y91.6Very high94.4Very high29 Ų2937 Ų3711%0.11422%0.218CC..SBendtrans-99.9160.7-167.3-50.2-79.1000112.3H99 D116 P118 R220 H221 V222H99-Y120 AromaticContact ND1-CE1 3.52Å; D116-Y120 WeakPolarHBondContact O-CE2 3.42Å; P118-Y120 VanDerWaalsContact C-N 3.32Å; P118-Y120 PolarHBondContact O-N 3.16Å; Y120-R220 HydrophobicContact CD1-CB 3.73Å; Y120-R220 HydrophobicContact CD1-CG 4.27Å; Y120-R220 VanDerWaalsContact CD2-NE 3.35Å; Y120-R220 HydrophobicContact CE1-CB 4.23Å; Y120-R220 HydrophobicContact CG-CB 4.36Å; Y120-H221 WeakPolarHBondContact CA-O 3.47Å; Y120-V222 HydrophobicContact CD1-CG2 3.62Å; Y120-V222 HydrophobicContact CE1-CG2 3.7Å
121H90.9Very high94.4Very high18 Ų1837.1 Ų37.18%0.08322%0.218CC..  trans-47.5144157.1-166.1-90000109.9F92 K95 T123 H221F92-H121 HydrophobicContact CD1-CB 4.46Å; K95-H121 PolarHBondContact NZ-CD2 3.3Å; K95-H121 PolarHBondContact NZ-NE2 3.13Å; K95-H121 VanDerWaalsContact NZ-NE2 3.19Å; H121-T123 PolarHBondContact ND1-OG1 2.89Å; H121-T123 PolarHBondContact O-N 2.9Å; H121-H221 HydrophobicContact CB-CB 4Å; H121-H221 PolarHBondContact N-O 3.15Å
122P91.9Very high94.5Very high50 Ų5036.9 Ų36.933%0.32522%0.216SC..SBendtrans-73.153.1-179.432.3-38.3000112.5Y176P122-Y176 HydrophobicContact CB-CD1 4.11Å; P122-Y176 HydrophobicContact CB-CE1 4.29Å
123T93.4Very high94.6Very high2 Ų230.3 Ų30.31%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-151.7130.5175.1-51.50000108.1A91 F92 H121 T125 I170 L171 Q172A91-T123 WeakPolarHBondContact O-CB 3.36Å; A91-T123 VanDerWaalsContact O-CG2 3.23Å; A91-T123 WeakPolarHBondContact O-CG2 3.32Å; A91-T123 PolarHBondContact O-OG1 2.82Å; A91-T123 VanDerWaalsContact O-OG1 3.13Å; F92-T123 HydrophobicContact CD1-CG2 4.37Å; F92-T123 HydrophobicContact CE1-CG2 4.21Å; H121-T123 PolarHBondContact ND1-OG1 2.89Å; H121-T123 PolarHBondContact O-N 2.9Å; T123-T125 HydrophobicContact CG2-CG2 4.06Å; T123-I170 HydrophobicContact CG2-CG2 3.91Å; T123-L171 WeakPolarHBondContact CA-O 3.44Å; T123-Q172 HydrophobicContact CG2-CG 3.58Å; T123-Q172 PolarHBondContact OG1-NE2 3.44Å
124V95.3Very high94.7Very high9 Ų929.6 Ų29.66%0.05518%0.179CC..EExtended strand (participates in β ladder)trans-115.2134.816963.90000108.8L171 Y176 T218V124-L171 HydrophobicContact CG1-CB 3.73Å; V124-L171 HydrophobicContact CG1-CD1 3.91Å; V124-L171 HydrophobicContact CG1-CG 4.24Å; V124-L171 PolarHBondContact N-O 3.05Å; V124-L171 PolarHBondContact O-N 3.3Å; V124-Y176 HydrophobicContact CB-CD2 3.97Å; V124-Y176 HydrophobicContact CB-CE2 4.05Å; V124-Y176 HydrophobicContact CG1-CD2 3.95Å; V124-Y176 HydrophobicContact CG1-CE2 4.48Å; V124-T218 HydrophobicContact CG2-CG2 3.45Å; V124-T218 VanDerWaalsContact CG2-CG2 3.45Å
125T98.2Very high94.8Very high0 Ų027.9 Ų27.90%017%0.171CC..EExtended strand (participates in β ladder)trans-123.3140.9174.770.10000109.5I86 A91 F92 T123 L169 I170 T218 V219I86-T125 HydrophobicContact CG2-CG2 3.75Å; A91-T125 HydrophobicContact CB-CG2 4Å; F92-T125 HydrophobicContact CE1-CG2 4.11Å; F92-T125 HydrophobicContact CE2-CG2 4.49Å; F92-T125 HydrophobicContact CZ-CG2 3.72Å; T123-T125 HydrophobicContact CG2-CG2 4.06Å; T125-L169 CarbonylContact C-O 3.56Å; T125-L169 VanDerWaalsContact CA-O 3.23Å; T125-L169 WeakPolarHBondContact CA-O 3.4Å; T125-I170 HydrophobicContact CG2-CB 4.38Å; T125-I170 HydrophobicContact CG2-CG1 3.99Å; T125-I170 HydrophobicContact CG2-CG2 4.11Å; T125-T218 CarbonylContact O-C 3.48Å; T125-T218 WeakPolarHBondContact O-CA 3.26Å; T125-V219 PolarHBondContact N-O 3.28Å; T125-V219 PolarHBondContact O-N 3.14Å; T125-V219 WeakPolarHBondContact OG1-CB 3.41Å; T125-V219 PolarHBondContact OG1-O 3.17Å
126T98.7Very high95.1Very high21 Ų2123.1 Ų23.113%0.12915%0.149CC..EExtended strand (participates in β ladder)trans-138120.2-177.3-60.70000111L168 L169 L217T126-L168 WeakPolarHBondContact O-CA 3.34Å; T126-L169 PolarHBondContact N-O 2.85Å; T126-L169 PolarHBondContact O-N 3.45Å; T126-L217 WeakPolarHBondContact CA-O 3.33Å
127I98.9Very high95.6Very high0 Ų021.5 Ų21.50%014%0.141CC..EExtended strand (participates in β ladder)trans-87.6127.6164.1-56.2174.3000107.7F29 I30 Y82 I86 L129 S167 L168 S216 L217F29-I127 HydrophobicContact CD1-CD1 4.23Å; F29-I127 HydrophobicContact CD1-CG1 4.18Å; F29-I127 HydrophobicContact CE1-CD1 3.93Å; F29-I127 HydrophobicContact CE1-CG1 4.21Å; I30-I127 HydrophobicContact CD1-CG2 3.91Å; I30-I127 HydrophobicContact CG1-CG2 4.39Å; I30-I127 HydrophobicContact CG2-CG2 4.42Å; Y82-I127 HydrophobicContact CD1-CD1 3.97Å; Y82-I127 HydrophobicContact CG-CD1 4.15Å; I86-I127 HydrophobicContact CD1-CD1 4.02Å; I86-I127 HydrophobicContact CD1-CG1 4.12Å; I127-L129 HydrophobicContact CG2-CD2 3.89Å; I127-S167 WeakPolarHBondContact CA-O 3.24Å; I127-L168 HydrophobicContact CG1-CD1 3.91Å; I127-S216 CarbonylContact O-C 3.47Å; I127-S216 VanDerWaalsContact O-CA 3.31Å; I127-S216 WeakPolarHBondContact O-CA 3.48Å; I127-L217 HydrophobicContact CB-CB 4.35Å; I127-L217 PolarHBondContact N-O 3.04Å; I127-L217 PolarHBondContact O-N 3.17Å
128S98.8Very high96.1Very high0 Ų020.5 Ų20.50%013%0.128CC..EExtended strand (participates in β ladder)trans-101.2139176.4-62.20000111R164 P165 R166 S167 R214S128-R164 WeakPolarHBondContact CB-O 3.41Å; S128-P165 CarbonylContact O-C 3.57Å; S128-R166 WeakPolarHBondContact O-CA 3.32Å; S128-R166 PolarHBondContact O-N 2.97Å; S128-S167 PolarHBondContact N-O 2.75Å; S128-S167 VanDerWaalsContact N-O 3.1Å; S128-R214 PolarHBondContact OG-NH2 3.37Å
129L98.9Very high96.4Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-131.7151.9-177.4-48.5176.9000111I30 E35 L38 L39 I127 S131 R214 V215 L217I30-L129 HydrophobicContact CD1-CD2 3.3Å; E35-L129 HydrophobicContact CB-CD2 4.36Å; E35-L129 HydrophobicContact CG-CB 4.4Å; E35-L129 HydrophobicContact CG-CD2 4.11Å; E35-L129 VanDerWaalsContact OE1-CA 3.32Å; E35-L129 WeakPolarHBondContact OE1-CA 3.19Å; L38-L129 HydrophobicContact CB-CD1 3.79Å; L38-L129 HydrophobicContact CD1-CD1 4.28Å; L38-L129 HydrophobicContact CD1-CD2 3.96Å; L39-L129 HydrophobicContact CD2-CB 3.85Å; L39-L129 HydrophobicContact CD2-CD1 4Å; L39-L129 HydrophobicContact CG-CB 4.21Å; L39-L129 HydrophobicContact CG-CD1 4.18Å; I127-L129 HydrophobicContact CG2-CD2 3.89Å; L129-S131 VanDerWaalsContact C-N 3.3Å; L129-S131 PolarHBondContact O-N 3.29Å; L129-R214 WeakPolarHBondContact O-CA 3.34Å; L129-V215 WeakPolarHBondContact CA-O 3.36Å; L129-V215 HydrophobicContact CB-CB 4.2Å; L129-V215 HydrophobicContact CD1-CB 4.46Å; L129-V215 HydrophobicContact CD1-CG1 4.19Å; L129-V215 PolarHBondContact N-O 3.04Å; L129-V215 PolarHBondContact O-N 3Å; L129-L217 HydrophobicContact CD1-CD1 3.52Å; L129-L217 HydrophobicContact CG-CD1 4.23Å
130G98.7Very high96.5Very high44 Ų4422.3 Ų22.345%0.45412%0.123SC..SBendtrans78.1-65.5171.100000113.7E35E35-G130 PolarHBondContact OE1-N 2.91Å
131S98.6Very high96.3Very high9 Ų926.3 Ų26.36%0.06315%0.145CC..SBendtrans-132.9162.2-178.6-179.20000111.6L129 G212 T213 R214L129-S131 VanDerWaalsContact C-N 3.3Å; L129-S131 PolarHBondContact O-N 3.29Å; S131-G212 WeakPolarHBondContact CB-O 3.27Å; S131-G212 PolarHBondContact OG-N 3.26Å; S131-T213 WeakPolarHBondContact CB-O 3.23Å; S131-T213 PolarHBondContact N-O 2.92Å; S131-R214 WeakPolarHBondContact O-CG 3.42Å
132H98.6Very high96Very high18 Ų1826.9 Ų26.98%0.08315%0.151CC..  trans-78.1169.4170.674.3-76.8000111.9L162 V163 D189 L209 T210H132-L162 HydrophobicContact CB-CD1 4.06Å; H132-V163 WeakPolarHBondContact CA-O 3.41Å; H132-D189 IonicContact CD2-OD2 3.37Å; H132-D189 PolarHBondContact CD2-OD2 3.4Å; H132-D189 IonicContact NE2-OD2 3.99Å; H132-D189 PolarHBondContact NE2-OD2 2.97Å; H132-L209 WeakPolarHBondContact CE1-CB 3.47Å; H132-L209 WeakPolarHBondContact NE2-CB 3.47Å; H132-T210 PolarHBondContact CE1-O 2.94Å
133T98.6Very high94.9Very high3 Ų328.3 Ų28.32%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-154.4166.2159.5-166.40000109.8V163 I183 R211T133-V163 HydrophobicContact CG2-CG2 3.36Å; T133-V163 PolarHBondContact N-O 2.92Å; T133-V163 VanDerWaalsContact O-CG2 3.26Å; T133-V163 WeakPolarHBondContact O-CG2 3.26Å; T133-V163 PolarHBondContact O-N 3.23Å; T133-I183 HydrophobicContact CG2-CD1 4.09Å; T133-I183 HydrophobicContact CG2-CG1 4.26Å; T133-I183 HydrophobicContact CG2-CG2 4.39Å; T133-I183 WeakPolarHBondContact OG1-CG2 3.4Å; T133-R211 PolarHBondContact OG1-NH1 3.32Å; T133-R211 PolarHBondContact OG1-NH2 3.24Å; T133-R211 VanDerWaalsContact OG1-NH2 3.11Å
134L98.6Very high93.6Very high14 Ų1437 Ų377%0.07321%0.207CC..EExtended strand (participates in β ladder)trans-89128.2159.9-65.9-177.7000109.7L162 D189 L191 V195L134-L162 HydrophobicContact CD2-CB 3.99Å; L134-L162 HydrophobicContact CD2-CD1 4.08Å; L134-D189 HydrophobicContact CD1-CB 4.02Å; L134-D189 HydrophobicContact CG-CB 3.98Å; L134-L191 HydrophobicContact CD1-CD2 4.5Å; L134-L191 HydrophobicContact CD2-CD2 3.88Å; L134-L191 HydrophobicContact CG-CD2 4.49Å; L134-V195 HydrophobicContact CD1-CG2 4.24Å; L134-V195 HydrophobicContact CD2-CG1 4.02Å; L134-V195 HydrophobicContact CD2-CG2 3.89Å
135L98.5Very high92.1Very high22 Ų2242.5 Ų42.512%0.11523%0.232CC..EExtended strand (participates in β ladder)trans-97.7110.6168.2-176.968.7000108F137 S160 L161 L169 L171 H181 I183L135-F137 HydrophobicContact CB-CE2 4.33Å; L135-F137 HydrophobicContact CD2-CE2 3.79Å; L135-F137 HydrophobicContact CD2-CZ 3.54Å; L135-F137 HydrophobicContact CG-CE2 3.77Å; L135-F137 HydrophobicContact CG-CZ 3.91Å; L135-F137 WeakPolarHBondContact O-CD2 3.23Å; L135-F137 WeakPolarHBondContact O-CE2 3.34Å; L135-S160 CarbonylContact O-C 3.57Å; L135-S160 VanDerWaalsContact O-CA 3.27Å; L135-S160 WeakPolarHBondContact O-CA 3.26Å; L135-L161 PolarHBondContact N-O 3.28Å; L135-L161 PolarHBondContact O-N 3.11Å; L135-L169 HydrophobicContact CD2-CD2 3.67Å; L135-L171 HydrophobicContact CD2-CD1 4.17Å; L135-H181 HydrophobicContact CD1-CB 4.2Å; L135-H181 HydrophobicContact CG-CB 4.48Å; L135-I183 HydrophobicContact CD1-CG1 4.08Å
136D98.3Very high90.2Very high10 Ų1047.7 Ų47.75%0.05326%0.26CS..EExtended strand (participates in β ladder)trans-93.2139.6-172.9-55.8-41.5000110.3Y138 Y157 S160 H181 G182D136-Y138 HydrophobicContact CB-CE2 3.47Å; D136-Y138 VanDerWaalsContact CB-CE2 3.47Å; D136-Y138 VanDerWaalsContact CB-OH 3.3Å; D136-Y138 WeakPolarHBondContact CB-OH 3.49Å; D136-Y138 WeakPolarHBondContact O-CE2 3.21Å; D136-Y157 HydrophobicContact CB-CD2 4.41Å; D136-Y157 HydrophobicContact CB-CE2 4.08Å; D136-S160 WeakPolarHBondContact OD1-CB 3.41Å; D136-S160 PolarHBondContact OD1-OG 3.22Å; D136-H181 CarbonylContact O-C 3.6Å; D136-H181 WeakPolarHBondContact O-CA 3.44Å; D136-G182 PolarHBondContact N-O 2.82Å; D136-G182 PolarHBondContact O-N 2.97Å
137F97.5Very high88.4Confident0 Ų054.2 Ų54.20%029%0.294CS..EExtended strand (participates in β ladder)trans-119.4139.7-179.3-69.3-92.8000111.7L135 L158 L159 L161 L171 M175 L179 L180 H181L135-F137 HydrophobicContact CB-CE2 4.33Å; L135-F137 HydrophobicContact CD2-CE2 3.79Å; L135-F137 HydrophobicContact CD2-CZ 3.54Å; L135-F137 HydrophobicContact CG-CE2 3.77Å; L135-F137 HydrophobicContact CG-CZ 3.91Å; L135-F137 WeakPolarHBondContact O-CD2 3.23Å; L135-F137 WeakPolarHBondContact O-CE2 3.34Å; F137-L158 PolarHBondContact O-N 3.18Å; F137-L159 HydrophobicContact CB-CD1 4.49Å; F137-L159 HydrophobicContact CB-CG 4.45Å; F137-L159 HydrophobicContact CD2-CD1 3.74Å; F137-L159 HydrophobicContact CE2-CD1 4.4Å; F137-L159 HydrophobicContact CG-CD1 4.4Å; F137-L159 PolarHBondContact N-O 2.74Å; F137-L161 HydrophobicContact CE2-CB 4.45Å; F137-L161 HydrophobicContact CE2-CD1 3.66Å; F137-L161 HydrophobicContact CE2-CG 3.93Å; F137-L161 HydrophobicContact CZ-CD1 4.12Å; F137-L171 HydrophobicContact CE1-CD1 3.98Å; F137-L171 HydrophobicContact CZ-CD1 3.61Å; F137-L171 HydrophobicContact CZ-CD2 4.17Å; F137-M175 HydrophobicContact CD1-CE 3.48Å; F137-M175 VanDerWaalsContact CD1-CE 3.48Å; F137-M175 HydrophobicContact CD1-SD 4.45Å; F137-M175 HydrophobicContact CD2-CE 3.83Å; F137-M175 HydrophobicContact CE1-CE 3.39Å; F137-M175 HydrophobicContact CE2-CE 3.74Å; F137-M175 HydrophobicContact CG-CE 3.7Å; F137-M175 HydrophobicContact CZ-CE 3.51Å; F137-L179 HydrophobicContact CB-CD1 4.27Å; F137-L179 HydrophobicContact CD1-CB 4.16Å; F137-L179 HydrophobicContact CD1-CD1 4.29Å; F137-L180 CarbonylContact C-O 3.54Å; F137-L180 WeakPolarHBondContact CA-O 3.45Å; F137-H181 HydrophobicContact CD1-CB 3.92Å; F137-H181 HydrophobicContact CE1-CB 3.76Å; F137-H181 HydrophobicContact CZ-CB 4.3Å
138Y96.6Very high86.7Confident7 Ų763.2 Ų63.23%0.02734%0.336CS..EExtended strand (participates in β ladder)trans-137.5146-173.1-47.7-99.8000111.1P113 D136 E153 R156 Y157 L180P113-Y138 HydrophobicContact CB-CD2 3.79Å; P113-Y138 HydrophobicContact CB-CE2 4.05Å; P113-Y138 HydrophobicContact CB-CG 4.39Å; P113-Y138 HydrophobicContact CG-CD2 3.74Å; P113-Y138 HydrophobicContact CG-CE1 4.49Å; P113-Y138 HydrophobicContact CG-CE2 3.54Å; P113-Y138 HydrophobicContact CG-CG 4.31Å; D136-Y138 HydrophobicContact CB-CE2 3.47Å; D136-Y138 VanDerWaalsContact CB-CE2 3.47Å; D136-Y138 VanDerWaalsContact CB-OH 3.3Å; D136-Y138 WeakPolarHBondContact CB-OH 3.49Å; D136-Y138 WeakPolarHBondContact O-CE2 3.21Å; Y138-E153 HydrophobicContact CD1-CG 3.72Å; Y138-E153 WeakPolarHBondContact CD1-O 3.26Å; Y138-E153 HydrophobicContact CE1-CG 3.2Å; Y138-E153 PolarHBondContact OH-OE1 2.93Å; Y138-R156 CarbonylContact C-O 3.52Å; Y138-R156 VanDerWaalsContact CA-O 3.26Å; Y138-R156 WeakPolarHBondContact CA-O 3.28Å; Y138-Y157 HydrophobicContact CD1-CD2 4.31Å; Y138-Y157 HydrophobicContact CD1-CG 4.47Å; Y138-Y157 AromaticContact CE1-CD2 3.73Å; Y138-Y157 HydrophobicContact CE1-CD2 3.73Å; Y138-Y157 HydrophobicContact CE1-CG 4.26Å; Y138-L180 PolarHBondContact N-O 2.84Å; Y138-L180 PolarHBondContact O-N 2.7Å
139R94.3Very high85.4Confident150 Ų15068.1 Ų68.157%0.56637%0.365SS*.PPolyproline II helixtrans-62.1147.2165.8-66.4-175.2-179.2138.26.5110.3R156 L158R139-R156 HydrophobicContact CB-CB 4.36Å; R139-R156 PolarHBondContact N-O 3.47Å; R139-R156 WeakPolarHBondContact O-CD 3.42Å; R139-R156 PolarHBondContact O-NH1 3.41Å; R139-L158 HydrophobicContact CG-CD1 3.88Å; R139-L158 HydrophobicContact CG-CD2 3.84Å; R139-L158 HydrophobicContact CG-CG 4.01Å
140P91.9Very high84.5Confident62 Ų6273 Ų7340%0.40340%0.398SS..PPolyproline II helixtrans-65.8161.2173.228.8-33.2000111S142 R178P140-S142 PolarHBondContact O-N 3.29Å; P140-R178 WeakPolarHBondContact CD-O 3.42Å
141I88Confident83.9Confident113 Ų11372.9 Ų72.958%0.57939%0.385SS*.PPolyproline II helixtrans-69.2121.4172.3-65.4176000107.7
142S83.2Confident83.6Confident30 Ų3076 Ų7621%0.2140%0.404CS..PPolyproline II helixtrans-95.9121.1178.71730000110.1P140 Q144 Q151P140-S142 PolarHBondContact O-N 3.29Å; S142-Q144 PolarHBondContact O-N 3.13Å; S142-Q144 PolarHBondContact OG-N 2.97Å; S142-Q151 PolarHBondContact O-NE2 3.22Å; S142-Q151 VanDerWaalsContact O-NE2 3.08Å; S142-Q151 PolarHBondContact O-OE1 3.21Å
143A70.4Confident83.2Confident80 Ų8078.9 Ų78.966%0.66142%0.417SS*.THydrogen-bonded Turntrans-68.3-15.8175.900000113.6L146A143-L146 HydrophobicContact CB-CD1 4.22Å; A143-L146 WeakPolarHBondContact O-CD1 3.25Å
144Q66.1Low82.9Confident184 Ų18484.2 Ų84.286%0.8644%0.442SS*.THydrogen-bonded Turntrans-89.8-17.5-175.5-68163.4-6.300113S142S142-Q144 PolarHBondContact O-N 3.13Å; S142-Q144 PolarHBondContact OG-N 2.97Å
145E63.8Low82.6Confident125 Ų12586.6 Ų86.658%0.58446%0.46SS*.SBendtrans-100.57.5-179-63.9172.4-177.800112.2D147 Q151E145-D147 PolarHBondContact O-N 3.01Å; E145-D147 VanDerWaalsContact O-N 3.14Å; E145-Q151 PolarHBondContact OE2-NE2 2.77Å
146L57.9Low82.4Confident110 Ų11086.7 Ų86.758%0.57646%0.459SS*.THydrogen-bonded Turntrans-64.9-16.3-171.7-80.5169.9000114.4A143A143-L146 HydrophobicContact CB-CD1 4.22Å; A143-L146 WeakPolarHBondContact O-CD1 3.25Å
147D59.5Low82.2Confident158 Ų15887.7 Ų87.785%0.84546%0.462SS*.THydrogen-bonded Turntrans-93.7-10.1-168.5-70.1-29.4000115.1E145E145-D147 PolarHBondContact O-N 3.01Å; E145-D147 VanDerWaalsContact O-N 3.14Å
148E64.4Low82.2Confident188 Ų18890.5 Ų90.588%0.87948%0.477SS*.THydrogen-bonded Turntrans-128.2-25.5-173.5-64.3-170.3175.300116.5
149V71.1Confident82.2Confident103 Ų10391.2 Ų91.262%0.62448%0.481SS*.SBendtrans-144.1133.9-178.2-171.40000112.5Q151V149-Q151 PolarHBondContact O-N 3.19Å
150P80.6Confident82.3Confident104 Ų10484.1 Ų84.168%0.67545%0.454SS*.  trans-58.5119.7173.4-24.233.9000113.1T152 S155P150-T152 HydrophobicContact CB-CG2 4.28Å; P150-T152 PolarHBondContact O-N 2.96Å; P150-S155 PolarHBondContact O-OG 3.39Å
151Q86.1Confident82.6Confident40 Ų4081.2 Ų81.219%0.18744%0.435CS..  trans-8263.4176.3-70.8-172.9-10.400112.8S142 E145 V149S142-Q151 PolarHBondContact O-NE2 3.22Å; S142-Q151 VanDerWaalsContact O-NE2 3.08Å; S142-Q151 PolarHBondContact O-OE1 3.21Å; E145-Q151 PolarHBondContact OE2-NE2 2.77Å; V149-Q151 PolarHBondContact O-N 3.19Å
152T90.8Very high83.1Confident74 Ų7475.8 Ų75.845%0.45441%0.408SS..  trans-62.6165.3172.9660000112.6P150 E154 S155 R156P150-T152 HydrophobicContact CB-CG2 4.28Å; P150-T152 PolarHBondContact O-N 2.96Å; T152-E154 VanDerWaalsContact C-N 3.34Å; T152-S155 PolarHBondContact N-OG 3.04Å; T152-S155 VanDerWaalsContact N-OG 3.07Å; T152-S155 PolarHBondContact O-OG 2.9Å; T152-S155 WeakPolarHBondContact OG1-CB 3.49Å; T152-S155 PolarHBondContact OG1-N 2.94Å; T152-S155 VanDerWaalsContact OG1-N 3.14Å; T152-S155 PolarHBondContact OG1-OG 3.3Å; T152-R156 WeakPolarHBondContact O-CG 3.24Å; T152-R156 PolarHBondContact O-N 3.33Å
153E90.3Very high83.9Confident79 Ų7974.5 Ų74.537%0.36940%0.398SS..Hα-helixtrans-59.4-44.6172.7-176.3173.5132.400111.9P113 Y138 S155 R156 Y157P113-E153 HydrophobicContact CG-CG 4.39Å; Y138-E153 HydrophobicContact CD1-CG 3.72Å; Y138-E153 WeakPolarHBondContact CD1-O 3.26Å; Y138-E153 HydrophobicContact CE1-CG 3.2Å; Y138-E153 PolarHBondContact OH-OE1 2.93Å; E153-S155 PolarHBondContact O-N 3.37Å; E153-R156 PolarHBondContact O-N 2.83Å; E153-Y157 PolarHBondContact O-N 2.85Å
154E92.4Very high85.2Confident115 Ų11575.5 Ų75.554%0.53739%0.385SS..Hα-helixtrans-62.9-44.1179.8-17756.7-136.900112.4T152 R156 Y157 R194T152-E154 VanDerWaalsContact C-N 3.34Å; E154-R156 PolarHBondContact O-N 2.86Å; E154-Y157 WeakPolarHBondContact O-CB 3.21Å; E154-Y157 PolarHBondContact O-N 2.85Å; E154-R194 IonicContact OE1-CZ 2.74Å; E154-R194 VanDerWaalsContact OE1-CZ 3.25Å; E154-R194 IonicContact OE1-NH1 3.39Å; E154-R194 PolarHBondContact OE1-NH1 3.45Å; E154-R194 IonicContact OE1-NH2 3.22Å; E154-R194 PolarHBondContact OE1-NH2 3.26Å; E154-R194 IonicContact OE2-NH1 3.42Å
155S92.3Very high86.8Confident65 Ų6568 Ų6846%0.45535%0.353SS..Hα-helixtrans-67.6-19.5178.959.70000113.7P150 T152 E153P150-S155 PolarHBondContact O-OG 3.39Å; T152-S155 PolarHBondContact N-OG 3.04Å; T152-S155 VanDerWaalsContact N-OG 3.07Å; T152-S155 PolarHBondContact O-OG 2.9Å; T152-S155 WeakPolarHBondContact OG1-CB 3.49Å; T152-S155 PolarHBondContact OG1-N 2.94Å; T152-S155 VanDerWaalsContact OG1-N 3.14Å; T152-S155 PolarHBondContact OG1-OG 3.3Å; E153-S155 PolarHBondContact O-N 3.37Å
156R94.4Very high88.4Confident24 Ų2464.5 Ų64.59%0.09133%0.334CS..Hα-helixtrans-96.3-12.7175-66.6-173-59.797.82.8113.7Y138 R139 T152 E153 E154Y138-R156 CarbonylContact C-O 3.52Å; Y138-R156 VanDerWaalsContact CA-O 3.26Å; Y138-R156 WeakPolarHBondContact CA-O 3.28Å; R139-R156 HydrophobicContact CB-CB 4.36Å; R139-R156 PolarHBondContact N-O 3.47Å; R139-R156 WeakPolarHBondContact O-CD 3.42Å; R139-R156 PolarHBondContact O-NH1 3.41Å; T152-R156 WeakPolarHBondContact O-CG 3.24Å; T152-R156 PolarHBondContact O-N 3.33Å; E153-R156 PolarHBondContact O-N 2.83Å; E154-R156 PolarHBondContact O-N 2.86Å
157Y95.8Very high90.4Very high30 Ų3059.3 Ų59.312%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-61.1137.9-179.3176.6-72.2000110.3D136 Y138 E153 E154 L159 S160 R194D136-Y157 HydrophobicContact CB-CD2 4.41Å; D136-Y157 HydrophobicContact CB-CE2 4.08Å; Y138-Y157 HydrophobicContact CD1-CD2 4.31Å; Y138-Y157 HydrophobicContact CD1-CG 4.47Å; Y138-Y157 AromaticContact CE1-CD2 3.73Å; Y138-Y157 HydrophobicContact CE1-CD2 3.73Å; Y138-Y157 HydrophobicContact CE1-CG 4.26Å; E153-Y157 PolarHBondContact O-N 2.85Å; E154-Y157 WeakPolarHBondContact O-CB 3.21Å; E154-Y157 PolarHBondContact O-N 2.85Å; Y157-L159 VanDerWaalsContact CZ-C 3.47Å; Y157-S160 WeakPolarHBondContact CE2-OG 3.41Å; Y157-S160 WeakPolarHBondContact OH-CB 3.49Å; Y157-S160 PolarHBondContact OH-N 3.42Å; Y157-S160 VanDerWaalsContact OH-N 3.1Å; Y157-S160 PolarHBondContact OH-OG 2.89Å; Y157-R194 HydrophobicContact CE1-CB 3.96Å; Y157-R194 HydrophobicContact CE1-CG 4.34Å; Y157-R194 WeakPolarHBondContact OH-CB 3.4Å
158L95.4Very high92.2Very high59 Ų5951.8 Ų51.831%0.30927%0.266SS..EExtended strand (participates in β ladder)trans-110.1-61.5178.4-66.1177.5000112F137 R139 L179F137-L158 PolarHBondContact O-N 3.18Å; R139-L158 HydrophobicContact CG-CD1 3.88Å; R139-L158 HydrophobicContact CG-CD2 3.84Å; R139-L158 HydrophobicContact CG-CG 4.01Å; L158-L179 HydrophobicContact CD1-CD1 3.85Å; L158-L179 HydrophobicContact CD1-CD2 3.52Å; L158-L179 HydrophobicContact CD1-CG 4.33Å
159L96.6Very high93.9Very high22 Ų2243 Ų4312%0.11523%0.225CC..EExtended strand (participates in β ladder)trans-158.2165.8-174.56587.9000110.3A19 F137 Y157 L161 M175 A196A19-L159 HydrophobicContact CB-CD2 4.28Å; F137-L159 HydrophobicContact CB-CD1 4.49Å; F137-L159 HydrophobicContact CB-CG 4.45Å; F137-L159 HydrophobicContact CD2-CD1 3.74Å; F137-L159 HydrophobicContact CE2-CD1 4.4Å; F137-L159 HydrophobicContact CG-CD1 4.4Å; F137-L159 PolarHBondContact N-O 2.74Å; Y157-L159 VanDerWaalsContact CZ-C 3.47Å; L159-L161 HydrophobicContact CD1-CD2 4.05Å; L159-L161 HydrophobicContact CD1-CG 3.93Å; L159-M175 HydrophobicContact CD1-CE 4.44Å; L159-A196 HydrophobicContact CD1-CB 4.3Å
160S97.9Very high95.1Very high2 Ų238.1 Ų38.11%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-116.9156.1164.9-55.40000111.1L135 D136 Y157 R194 V195 A196L135-S160 CarbonylContact O-C 3.57Å; L135-S160 VanDerWaalsContact O-CA 3.27Å; L135-S160 WeakPolarHBondContact O-CA 3.26Å; D136-S160 WeakPolarHBondContact OD1-CB 3.41Å; D136-S160 PolarHBondContact OD1-OG 3.22Å; Y157-S160 WeakPolarHBondContact CE2-OG 3.41Å; Y157-S160 WeakPolarHBondContact OH-CB 3.49Å; Y157-S160 PolarHBondContact OH-N 3.42Å; Y157-S160 VanDerWaalsContact OH-N 3.1Å; Y157-S160 PolarHBondContact OH-OG 2.89Å; S160-R194 PolarHBondContact N-O 3.48Å; S160-V195 CarbonylContact O-C 3.59Å; S160-V195 WeakPolarHBondContact O-CA 3.21Å; S160-A196 PolarHBondContact O-N 2.98Å
161L98.4Very high95.9Very high0 Ų033.4 Ų33.40%017%0.165CC..EExtended strand (participates in β ladder)trans-116.1126.5165.5-61.5174.8000109.4V16 V23 L135 F137 L159 V163 L169 L171 M175 A196 N197V16-L161 HydrophobicContact CG1-CD2 4.23Å; V23-L161 HydrophobicContact CG1-CD1 3.6Å; V23-L161 HydrophobicContact CG1-CD2 4.26Å; L135-L161 PolarHBondContact N-O 3.28Å; L135-L161 PolarHBondContact O-N 3.11Å; F137-L161 HydrophobicContact CE2-CB 4.45Å; F137-L161 HydrophobicContact CE2-CD1 3.66Å; F137-L161 HydrophobicContact CE2-CG 3.93Å; F137-L161 HydrophobicContact CZ-CD1 4.12Å; L159-L161 HydrophobicContact CD1-CD2 4.05Å; L159-L161 HydrophobicContact CD1-CG 3.93Å; L161-V163 PolarHBondContact O-N 2.81Å; L161-L169 HydrophobicContact CD1-CD1 3.85Å; L161-L169 HydrophobicContact CD1-CD2 4.2Å; L161-L171 HydrophobicContact CD1-CD2 3.97Å; L161-M175 HydrophobicContact CD1-CE 4.44Å; L161-A196 HydrophobicContact CD2-CB 4.02Å; L161-N197 HydrophobicContact CD2-CB 4.13Å
162L98.6Very high96.1Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-75114.4169.6177.161.4000109.5Y25 H132 L134 R164 L191 V195 N197 L198 A201 V203 L209Y25-L162 WeakPolarHBondContact CE2-O 3.46Å; H132-L162 HydrophobicContact CB-CD1 4.06Å; L134-L162 HydrophobicContact CD2-CB 3.99Å; L134-L162 HydrophobicContact CD2-CD1 4.08Å; L162-R164 HydrophobicContact CD2-CG 4.17Å; L162-R164 HydrophobicContact CG-CG 4.03Å; L162-L191 HydrophobicContact CD1-CD2 4.25Å; L162-L191 HydrophobicContact CD2-CD1 4.01Å; L162-L191 HydrophobicContact CD2-CD2 4.32Å; L162-V195 HydrophobicContact CB-CG1 3.8Å; L162-N197 PolarHBondContact N-OD1 2.87Å; L162-N197 PolarHBondContact O-ND2 2.88Å; L162-L198 HydrophobicContact CD2-CD2 4.43Å; L162-A201 HydrophobicContact CB-CB 4.48Å; L162-A201 HydrophobicContact CD2-CB 3.89Å; L162-A201 HydrophobicContact CG-CB 4.34Å; L162-V203 HydrophobicContact CD2-CB 4.38Å; L162-V203 HydrophobicContact CD2-CG2 3.8Å; L162-L209 HydrophobicContact CD1-CD1 4.25Å; L162-L209 HydrophobicContact CD2-CD1 4.39Å
163V98.3Very high96Very high2 Ų232.7 Ų32.71%0.01216%0.159CC..EExtended strand (participates in β ladder)trans-10693.3177.4-69.10000110.1H132 T133 L161 L169H132-V163 WeakPolarHBondContact CA-O 3.41Å; T133-V163 HydrophobicContact CG2-CG2 3.36Å; T133-V163 PolarHBondContact N-O 2.92Å; T133-V163 VanDerWaalsContact O-CG2 3.26Å; T133-V163 WeakPolarHBondContact O-CG2 3.26Å; T133-V163 PolarHBondContact O-N 3.23Å; L161-V163 PolarHBondContact O-N 2.81Å; V163-L169 HydrophobicContact CG1-CB 4.33Å; V163-L169 HydrophobicContact CG1-CD2 3.83Å
164R98.6Very high95.8Very high102 Ų10232 Ų3239%0.38516%0.158SC..  trans-70156.3178.4-60.9-172.668.8156.32.2112Y25 S128 L162 S167 A201Y25-R164 WeakPolarHBondContact OH-CB 3.27Å; S128-R164 WeakPolarHBondContact CB-O 3.41Å; L162-R164 HydrophobicContact CD2-CG 4.17Å; L162-R164 HydrophobicContact CG-CG 4.03Å; R164-S167 WeakPolarHBondContact O-CB 3.28Å; R164-S167 PolarHBondContact O-N 2.87Å; R164-S167 PolarHBondContact O-OG 3.49Å; R164-A201 WeakPolarHBondContact CD-O 3.47Å; R164-A201 HydrophobicContact CG-CB 4.41Å; R164-A201 PolarHBondContact NH1-O 2.98Å
165P98.7Very high95.7Very high27 Ų2726.6 Ų26.618%0.17513%0.133CC..THydrogen-bonded Turntrans-53.8151.6168.524.7-35000111E35 S128 S167E35-P165 WeakPolarHBondContact OE1-CB 3.33Å; S128-P165 CarbonylContact O-C 3.57Å; P165-S167 PolarHBondContact O-N 2.96Å; P165-S167 VanDerWaalsContact O-N 3.07Å
166R98.8Very high95.6Very high51 Ų5124.9 Ų24.919%0.19212%0.116CC..THydrogen-bonded Turntrans64.4-3.4-176.6-56.9-179.7-65.5-86.89.3117D28 F29 I30 E32 E35 S128D28-R166 IonicContact OD1-NE 3.77Å; F29-R166 WeakPolarHBondContact CB-O 3.35Å; F29-R166 PolarHBondContact N-O 3.31Å; I30-R166 HydrophobicContact CD1-CG 4.33Å; I30-R166 HydrophobicContact CG1-CB 3.7Å; I30-R166 HydrophobicContact CG1-CG 3.88Å; I30-R166 PolarHBondContact N-O 3.27Å; I30-R166 VanDerWaalsContact N-O 3.16Å; I30-R166 WeakPolarHBondContact O-CB 3.28Å; I30-R166 WeakPolarHBondContact O-CD 3.4Å; E32-R166 IonicContact OE1-NH2 3.88Å; E35-R166 HydrophobicContact CB-CG 4Å; E35-R166 HydrophobicContact CG-CG 4.35Å; E35-R166 WeakPolarHBondContact OE2-CD 3.38Å; E35-R166 WeakPolarHBondContact OE2-CG 3.39Å; E35-R166 IonicContact OE2-CZ 2.86Å; E35-R166 IonicContact OE2-NH1 3.57Å; E35-R166 PolarHBondContact OE2-NH1 3.21Å; S128-R166 WeakPolarHBondContact O-CA 3.32Å; S128-R166 PolarHBondContact O-N 2.97Å
167S98.8Very high95.2Very high0 Ų028.7 Ų28.70%014%0.135CC..  trans-78.6153.3177.767.60000112.7Y25 I26 I127 S128 R164 P165Y25-S167 WeakPolarHBondContact CE2-OG 3.11Å; Y25-S167 WeakPolarHBondContact OH-CB 3.41Å; I26-S167 CarbonylContact O-C 3.51Å; I26-S167 WeakPolarHBondContact O-CA 3.44Å; I26-S167 WeakPolarHBondContact O-CB 3.35Å; I127-S167 WeakPolarHBondContact CA-O 3.24Å; S128-S167 PolarHBondContact N-O 2.75Å; S128-S167 VanDerWaalsContact N-O 3.1Å; R164-S167 WeakPolarHBondContact O-CB 3.28Å; R164-S167 PolarHBondContact O-N 2.87Å; R164-S167 PolarHBondContact O-OG 3.49Å; P165-S167 PolarHBondContact O-N 2.96Å; P165-S167 VanDerWaalsContact O-N 3.07Å
168L98.7Very high94.9Very high0 Ų034.2 Ų34.20%016%0.156CC..EExtended strand (participates in β ladder)trans-106.9126.6164.8178.669.6000109.1I26 F29 I86 L89 T126 I127 I170I26-L168 HydrophobicContact CB-CB 4.24Å; I26-L168 HydrophobicContact CD1-CD2 4Å; I26-L168 PolarHBondContact N-O 3.26Å; I26-L168 PolarHBondContact O-N 3.02Å; F29-L168 HydrophobicContact CB-CB 3.66Å; F29-L168 HydrophobicContact CD1-CB 3.69Å; F29-L168 HydrophobicContact CD1-CD1 4.5Å; F29-L168 HydrophobicContact CD1-CD2 4.24Å; F29-L168 HydrophobicContact CD1-CG 4.37Å; F29-L168 HydrophobicContact CD2-CB 4.04Å; F29-L168 HydrophobicContact CD2-CD2 3.96Å; F29-L168 HydrophobicContact CE1-CB 4.35Å; F29-L168 HydrophobicContact CE1-CD1 4.47Å; F29-L168 HydrophobicContact CE1-CD2 4.1Å; F29-L168 HydrophobicContact CE2-CD2 3.82Å; F29-L168 HydrophobicContact CG-CB 3.52Å; F29-L168 HydrophobicContact CG-CD2 4.18Å; F29-L168 HydrophobicContact CG-CG 4.41Å; F29-L168 HydrophobicContact CZ-CD2 3.88Å; I86-L168 HydrophobicContact CD1-CD1 3.83Å; I86-L168 HydrophobicContact CG1-CD1 4.11Å; I86-L168 HydrophobicContact CG1-CD2 4.16Å; L89-L168 HydrophobicContact CD1-CD2 3.65Å; T126-L168 WeakPolarHBondContact O-CA 3.34Å; I127-L168 HydrophobicContact CG1-CD1 3.91Å; L168-I170 HydrophobicContact CD2-CD1 3.96Å; L168-I170 HydrophobicContact CD2-CG1 4.03Å; L168-I170 HydrophobicContact CG-CG1 4.05Å
169L98.5Very high94.8Very high3 Ų332.5 Ų32.52%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-105.5132.1167.7-177.469.6000109.3V23 Y25 T125 T126 L135 L161 V163 L171V23-L169 HydrophobicContact CG1-CD1 4.19Å; Y25-L169 HydrophobicContact CD2-CD1 4.45Å; T125-L169 CarbonylContact C-O 3.56Å; T125-L169 VanDerWaalsContact CA-O 3.23Å; T125-L169 WeakPolarHBondContact CA-O 3.4Å; T126-L169 PolarHBondContact N-O 2.85Å; T126-L169 PolarHBondContact O-N 3.45Å; L135-L169 HydrophobicContact CD2-CD2 3.67Å; L161-L169 HydrophobicContact CD1-CD1 3.85Å; L161-L169 HydrophobicContact CD1-CD2 4.2Å; V163-L169 HydrophobicContact CG1-CB 4.33Å; V163-L169 HydrophobicContact CG1-CD2 3.83Å; L169-L171 HydrophobicContact CD1-CD2 4.09Å; L169-L171 HydrophobicContact CD2-CD1 3.96Å; L169-L171 HydrophobicContact CD2-CD2 4.1Å; L169-L171 HydrophobicContact CD2-CG 4.02Å; L169-L171 HydrophobicContact CG-CD2 4.07Å; L169-L171 HydrophobicContact CG-CG 4.04Å
170I97.4Very high94.8Very high1 Ų132.7 Ų32.71%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-120.7125.3172.7-53.6175.3000107.8L11 Y24 L89 A91 T123 T125 L168 Q172L11-I170 HydrophobicContact CD1-CD1 4.34Å; L11-I170 HydrophobicContact CD2-CD1 4.34Å; Y24-I170 HydrophobicContact CD2-CB 4.19Å; Y24-I170 HydrophobicContact CD2-CG2 4.19Å; Y24-I170 PolarHBondContact N-O 3.12Å; Y24-I170 PolarHBondContact O-N 3.15Å; L89-I170 HydrophobicContact CD1-CD1 4.29Å; A91-I170 HydrophobicContact CB-CD1 4.39Å; T123-I170 HydrophobicContact CG2-CG2 3.91Å; T125-I170 HydrophobicContact CG2-CB 4.38Å; T125-I170 HydrophobicContact CG2-CG1 3.99Å; T125-I170 HydrophobicContact CG2-CG2 4.11Å; L168-I170 HydrophobicContact CD2-CD1 3.96Å; L168-I170 HydrophobicContact CD2-CG1 4.03Å; L168-I170 HydrophobicContact CG-CG1 4.05Å; I170-Q172 HydrophobicContact CG2-CG 4.18Å
171L96.1Very high94.8Very high6 Ų633.8 Ų33.83%0.03115%0.153CC..EExtended strand (participates in β ladder)trans-123.2128.4177.7-54.4169000109.7V23 T123 V124 L135 F137 L161 L169 M175V23-L171 HydrophobicContact CB-CD2 4.36Å; V23-L171 HydrophobicContact CG1-CD2 3.89Å; V23-L171 HydrophobicContact CG2-CD2 3.97Å; T123-L171 WeakPolarHBondContact CA-O 3.44Å; V124-L171 HydrophobicContact CG1-CB 3.73Å; V124-L171 HydrophobicContact CG1-CD1 3.91Å; V124-L171 HydrophobicContact CG1-CG 4.24Å; V124-L171 PolarHBondContact N-O 3.05Å; V124-L171 PolarHBondContact O-N 3.3Å; L135-L171 HydrophobicContact CD2-CD1 4.17Å; F137-L171 HydrophobicContact CE1-CD1 3.98Å; F137-L171 HydrophobicContact CZ-CD1 3.61Å; F137-L171 HydrophobicContact CZ-CD2 4.17Å; L161-L171 HydrophobicContact CD1-CD2 3.97Å; L169-L171 HydrophobicContact CD1-CD2 4.09Å; L169-L171 HydrophobicContact CD2-CD1 3.96Å; L169-L171 HydrophobicContact CD2-CD2 4.1Å; L169-L171 HydrophobicContact CD2-CG 4.02Å; L169-L171 HydrophobicContact CG-CD2 4.07Å; L169-L171 HydrophobicContact CG-CG 4.04Å; L171-M175 HydrophobicContact CB-CB 4.32Å; L171-M175 HydrophobicContact CD2-CB 4.42Å; L171-M175 HydrophobicContact CD2-CE 4.2Å
172Q92.3Very high94.7Very high19 Ų1933.8 Ų33.89%0.08915%0.153CC..EExtended strand (participates in β ladder)trans-132.7168.5-179.2-62.2178.2-50.900111.3I7 T22 A91 T123 I170 D174 M175I7-Q172 VanDerWaalsContact CD1-OE1 3.22Å; T22-Q172 PolarHBondContact O-N 3.2Å; T22-Q172 PolarHBondContact OG1-O 2.97Å; A91-Q172 PolarHBondContact O-NE2 3.15Å; T123-Q172 HydrophobicContact CG2-CG 3.58Å; T123-Q172 PolarHBondContact OG1-NE2 3.44Å; I170-Q172 HydrophobicContact CG2-CG 4.18Å; Q172-D174 PolarHBondContact O-N 2.76Å; Q172-M175 PolarHBondContact O-N 3.1Å
173D88Confident94.7Very high79 Ų7934.3 Ų34.342%0.42216%0.156SC..THydrogen-bonded Turntrans53.2-128.7174.3-56.7-35.7000112.5T22 M175 Y176 Q177T22-D173 HydrophobicContact CG2-CB 4.04Å; T22-D173 WeakPolarHBondContact CG2-OD2 3.44Å; D173-M175 PolarHBondContact O-N 3.38Å; D173-Y176 CarbonylContact O-C 3.58Å; D173-Y176 WeakPolarHBondContact O-CA 3.13Å; D173-Y176 WeakPolarHBondContact O-CB 3.46Å; D173-Y176 PolarHBondContact O-N 3.19Å; D173-Q177 WeakPolarHBondContact O-CB 3.49Å; D173-Q177 WeakPolarHBondContact O-CG 3.48Å; D173-Q177 PolarHBondContact O-N 3.02Å
174D85.9Confident94.7Very high66 Ų6639.7 Ų39.735%0.35318%0.181SC..Hα-helixtrans-57.9-35.5-172.8-81.89.8000113.1Q172 Y176 Q177 R178 L179Q172-D174 PolarHBondContact O-N 2.76Å; D174-Y176 PolarHBondContact O-N 2.75Å; D174-Q177 PolarHBondContact O-N 3.28Å; D174-R178 WeakPolarHBondContact O-CB 3.05Å; D174-R178 PolarHBondContact O-N 2.92Å; D174-R178 WeakPolarHBondContact OD1-CD 3.41Å; D174-R178 IonicContact OD1-CZ 2.74Å; D174-R178 VanDerWaalsContact OD1-CZ 3.28Å; D174-R178 IonicContact OD1-NE 2.84Å; D174-R178 PolarHBondContact OD1-NE 3.41Å; D174-R178 IonicContact OD1-NH1 3.47Å; D174-R178 PolarHBondContact OD1-NH1 2.89Å; D174-R178 IonicContact OD2-CZ 3.7Å; D174-R178 IonicContact OD2-NH1 3.3Å; D174-R178 PolarHBondContact OD2-NH1 2.87Å; D174-L179 PolarHBondContact O-N 2.99Å
175M90.4Very high94.6Very high1 Ų137.1 Ų37.11%0.00519%0.186CC..Hα-helixtrans-64.5-29.8177-67.7-70.2-63.900112.5P20 V23 F137 L159 L161 L171 Q172 D173 L179P20-M175 HydrophobicContact CB-CG 4.09Å; P20-M175 HydrophobicContact CB-SD 4.48Å; P20-M175 HydrophobicContact CG-CG 3.96Å; P20-M175 HydrophobicContact CG-SD 3.72Å; V23-M175 HydrophobicContact CG2-CB 4.39Å; V23-M175 HydrophobicContact CG2-CE 3.8Å; V23-M175 HydrophobicContact CG2-CG 3.51Å; V23-M175 HydrophobicContact CG2-SD 4.05Å; F137-M175 HydrophobicContact CD1-CE 3.48Å; F137-M175 VanDerWaalsContact CD1-CE 3.48Å; F137-M175 HydrophobicContact CD1-SD 4.45Å; F137-M175 HydrophobicContact CD2-CE 3.83Å; F137-M175 HydrophobicContact CE1-CE 3.39Å; F137-M175 HydrophobicContact CE2-CE 3.74Å; F137-M175 HydrophobicContact CG-CE 3.7Å; F137-M175 HydrophobicContact CZ-CE 3.51Å; L159-M175 HydrophobicContact CD1-CE 4.44Å; L161-M175 HydrophobicContact CD1-CE 4.44Å; L171-M175 HydrophobicContact CB-CB 4.32Å; L171-M175 HydrophobicContact CD2-CB 4.42Å; L171-M175 HydrophobicContact CD2-CE 4.2Å; Q172-M175 PolarHBondContact O-N 3.1Å; D173-M175 PolarHBondContact O-N 3.38Å; M175-L179 HydrophobicContact CE-CD1 4.46Å; M175-L179 HydrophobicContact SD-CD1 3.51Å; M175-L179 VanDerWaalsContact SD-CD1 3.51Å
176Y88.9Confident94.6Very high28 Ų2837.3 Ų37.311%0.1119%0.187CC..Hα-helixtrans-87.6-44.4175.7177.8-81000112.1D116 G117 P122 V124 D173 D174 R220D116-Y176 HydrophobicContact CB-CE2 4.39Å; G117-Y176 PolarHBondContact O-OH 3.03Å; P122-Y176 HydrophobicContact CB-CD1 4.11Å; P122-Y176 HydrophobicContact CB-CE1 4.29Å; V124-Y176 HydrophobicContact CB-CD2 3.97Å; V124-Y176 HydrophobicContact CB-CE2 4.05Å; V124-Y176 HydrophobicContact CG1-CD2 3.95Å; V124-Y176 HydrophobicContact CG1-CE2 4.48Å; D173-Y176 CarbonylContact O-C 3.58Å; D173-Y176 WeakPolarHBondContact O-CA 3.13Å; D173-Y176 WeakPolarHBondContact O-CB 3.46Å; D173-Y176 PolarHBondContact O-N 3.19Å; D174-Y176 PolarHBondContact O-N 2.75Å; Y176-R220 PolarHBondContact OH-NH2 3.22Å
177Q87.4Confident94.6Very high104 Ų10439.9 Ų39.949%0.48620%0.201SC..Hα-helixtrans-89.8-27-163.7-67.6-179.60.200113.8D173 D174D173-Q177 WeakPolarHBondContact O-CB 3.49Å; D173-Q177 WeakPolarHBondContact O-CG 3.48Å; D173-Q177 PolarHBondContact O-N 3.02Å; D174-Q177 PolarHBondContact O-N 3.28Å
178R89.3Confident94.6Very high147 Ų14744.3 Ų44.356%0.55522%0.221SC*.THydrogen-bonded Turntrans-122-28.4-166.4-61.8-176.2176172.6-8.2113.9P140 D174P140-R178 WeakPolarHBondContact CD-O 3.42Å; D174-R178 WeakPolarHBondContact O-CB 3.05Å; D174-R178 PolarHBondContact O-N 2.92Å; D174-R178 WeakPolarHBondContact OD1-CD 3.41Å; D174-R178 IonicContact OD1-CZ 2.74Å; D174-R178 VanDerWaalsContact OD1-CZ 3.28Å; D174-R178 IonicContact OD1-NE 2.84Å; D174-R178 PolarHBondContact OD1-NE 3.41Å; D174-R178 IonicContact OD1-NH1 3.47Å; D174-R178 PolarHBondContact OD1-NH1 2.89Å; D174-R178 IonicContact OD2-CZ 3.7Å; D174-R178 IonicContact OD2-NH1 3.3Å; D174-R178 PolarHBondContact OD2-NH1 2.87Å
179L93.9Very high94.5Very high23 Ų2344.5 Ų44.512%0.1222%0.222CC..  trans-95.2139.8-175-58.2-173.3000111.3F137 L158 D174 M175F137-L179 HydrophobicContact CB-CD1 4.27Å; F137-L179 HydrophobicContact CD1-CB 4.16Å; F137-L179 HydrophobicContact CD1-CD1 4.29Å; L158-L179 HydrophobicContact CD1-CD1 3.85Å; L158-L179 HydrophobicContact CD1-CD2 3.52Å; L158-L179 HydrophobicContact CD1-CG 4.33Å; D174-L179 PolarHBondContact O-N 2.99Å; M175-L179 HydrophobicContact CE-CD1 4.46Å; M175-L179 HydrophobicContact SD-CD1 3.51Å; M175-L179 VanDerWaalsContact SD-CD1 3.51Å
180L96.3Very high94.4Very high26 Ų2648 Ų4814%0.13625%0.247CC..EExtended strand (participates in β ladder)trans-77.3142.5164.9-59177.7000108.4P113 H114 E115 F137 Y138P113-L180 HydrophobicContact CB-CB 3.91Å; P113-L180 HydrophobicContact CB-CD1 4.31Å; H114-L180 WeakPolarHBondContact O-CA 3.28Å; E115-L180 HydrophobicContact CG-CD2 3.46Å; E115-L180 VanDerWaalsContact CG-CD2 3.46Å; F137-L180 CarbonylContact C-O 3.54Å; F137-L180 WeakPolarHBondContact CA-O 3.45Å; Y138-L180 PolarHBondContact N-O 2.84Å; Y138-L180 PolarHBondContact O-N 2.7Å
181H97.1Very high94.4Very high24 Ų2448 Ų4811%0.11125%0.247CC..EExtended strand (participates in β ladder)trans-126.3147.9172.962.8-87000112P113 H114 D116 L135 D136 F137P113-H181 CarbonylContact C-O 3.55Å; P113-H181 VanDerWaalsContact CA-O 3.31Å; P113-H181 WeakPolarHBondContact CA-O 3.4Å; H114-H181 AromaticContact CE1-CD2 3.58Å; H114-H181 AromaticContact CE1-NE2 3.42Å; H114-H181 PolarHBondContact CE1-NE2 3.38Å; H114-H181 PolarHBondContact CE1-O 2.96Å; H114-H181 PolarHBondContact N-O 3.42Å; H114-H181 PolarHBondContact ND1-O 3.47Å; H114-H181 AromaticContact NE2-NE2 3.47Å; H114-H181 PolarHBondContact NE2-NE2 3.44Å; H114-H181 PolarHBondContact O-N 2.88Å; H114-H181 PolarHBondContact O-ND1 2.72Å; D116-H181 IonicContact OD1-CE1 3.37Å; D116-H181 IonicContact OD2-CE1 3.01Å; L135-H181 HydrophobicContact CD1-CB 4.2Å; L135-H181 HydrophobicContact CG-CB 4.48Å; D136-H181 CarbonylContact O-C 3.6Å; D136-H181 WeakPolarHBondContact O-CA 3.44Å; F137-H181 HydrophobicContact CD1-CB 3.92Å; F137-H181 HydrophobicContact CE1-CB 3.76Å; F137-H181 HydrophobicContact CZ-CB 4.3Å
182G97.5Very high94.3Very high1 Ų150.8 Ų50.81%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-147.5165.4-175.600000112.3I111 D136I111-G182 WeakPolarHBondContact O-CA 3.49Å; D136-G182 PolarHBondContact N-O 2.82Å; D136-G182 PolarHBondContact O-N 2.97Å
183I98.4Very high94.3Very high10 Ų1057.4 Ų57.45%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-125.6114.1168.6-63.4166.5000106.1Y105 G110 I111 T133 L135 G185Y105-I183 HydrophobicContact CE1-CD1 4.18Å; Y105-I183 HydrophobicContact CE2-CD1 4.12Å; G110-I183 CarbonylContact C-O 3.51Å; G110-I183 WeakPolarHBondContact CA-O 3.47Å; I111-I183 HydrophobicContact CG2-CB 4.04Å; I111-I183 HydrophobicContact CG2-CD1 4.27Å; I111-I183 HydrophobicContact CG2-CG1 4.15Å; I111-I183 PolarHBondContact N-O 3.42Å; I111-I183 PolarHBondContact O-N 3.37Å; T133-I183 HydrophobicContact CG2-CD1 4.09Å; T133-I183 HydrophobicContact CG2-CG1 4.26Å; T133-I183 HydrophobicContact CG2-CG2 4.39Å; T133-I183 WeakPolarHBondContact OG1-CG2 3.4Å; L135-I183 HydrophobicContact CD1-CG1 4.08Å; I183-G185 PolarHBondContact O-N 2.73Å
184Q97.5Very high94.7Very high115 Ų11558.3 Ų58.354%0.53729%0.293SS..  trans-61.1136.9175.1-167.7-179.233.800111.1T186 R211Q184-T186 PolarHBondContact O-N 2.84Å; Q184-T186 VanDerWaalsContact O-N 3.1Å; Q184-R211 PolarHBondContact O-NH1 2.86Å; Q184-R211 PolarHBondContact O-NH2 3.22Å
185G97.7Very high95.2Very high48 Ų4855.4 Ų55.450%0.49528%0.277SS..  trans-75.391.417200000111.4G108 I183G108-G185 CarbonylContact O-C 3.5Å; G108-G185 WeakPolarHBondContact O-CA 3.35Å; I183-G185 PolarHBondContact O-N 2.73Å
186T97.9Very high95.6Very high32 Ų3255.9 Ų55.920%0.19628%0.281CS..  trans-138.9161.4180-179.30000111.1G108 Q184 H188 R211G108-T186 WeakPolarHBondContact CA-O 3.35Å; G108-T186 PolarHBondContact N-O 3.43Å; Q184-T186 PolarHBondContact O-N 2.84Å; Q184-T186 VanDerWaalsContact O-N 3.1Å; T186-H188 WeakPolarHBondContact CG2-O 3.46Å; T186-H188 PolarHBondContact OG1-N 2.89Å; T186-H188 PolarHBondContact OG1-O 3.37Å; T186-R211 VanDerWaalsContact CG2-CZ 3.44Å; T186-R211 WeakPolarHBondContact O-CD 3.3Å
187H98.4Very high96Very high104 Ų10454.6 Ų54.648%0.48128%0.276SS..SBendtrans-91.7-18.1172.3-67.9-92.4000112.7P107 R211P107-H187 WeakPolarHBondContact CB-ND1 3.35Å; P107-H187 PolarHBondContact O-CE1 2.74Å; H187-R211 PolarHBondContact O-N 2.92Å
188H98.2Very high96.4Very high93 Ų9350.2 Ų50.243%0.43126%0.256SS..EExtended strand (participates in β ladder)trans-140.4142.4-175.8-57.489.1000110.5T186 T208 L209 T210T186-H188 WeakPolarHBondContact CG2-O 3.46Å; T186-H188 PolarHBondContact OG1-N 2.89Å; T186-H188 PolarHBondContact OG1-O 3.37Å; H188-T208 HydrophobicContact CB-CG2 4.03Å; H188-L209 CarbonylContact C-O 3.59Å; H188-L209 VanDerWaalsContact CA-O 3.24Å; H188-L209 WeakPolarHBondContact CA-O 3.35Å; H188-T210 PolarHBondContact CD2-OG1 2.82Å; H188-T210 PolarHBondContact NE2-OG1 2.88Å
189D98Very high96.6Very high5 Ų550.6 Ų50.63%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-110.3123.6172.9-72.2-48.8000109.5H132 L134 L191 T208 L209 R211H132-D189 IonicContact CD2-OD2 3.37Å; H132-D189 PolarHBondContact CD2-OD2 3.4Å; H132-D189 IonicContact NE2-OD2 3.99Å; H132-D189 PolarHBondContact NE2-OD2 2.97Å; L134-D189 HydrophobicContact CD1-CB 4.02Å; L134-D189 HydrophobicContact CG-CB 3.98Å; D189-L191 HydrophobicContact CB-CD2 4.49Å; D189-T208 CarbonylContact O-C 3.48Å; D189-T208 WeakPolarHBondContact O-CA 3.4Å; D189-L209 PolarHBondContact N-O 3.27Å; D189-L209 PolarHBondContact O-N 2.85Å; D189-R211 IonicContact OD1-CZ 3.28Å; D189-R211 IonicContact OD1-NE 2.66Å; D189-R211 PolarHBondContact OD1-NE 2.94Å; D189-R211 IonicContact OD1-NH2 3.26Å; D189-R211 PolarHBondContact OD1-NH2 2.75Å; D189-R211 IonicContact OD2-CZ 2.73Å; D189-R211 IonicContact OD2-NE 3.18Å; D189-R211 PolarHBondContact OD2-NE 3.2Å; D189-R211 IonicContact OD2-NH2 2.75Å; D189-R211 PolarHBondContact OD2-NH2 3.14Å
190S96.3Very high96.6Very high76 Ų7651.8 Ų51.853%0.53128%0.282SS..EExtended strand (participates in β ladder)trans-91.5117.3170.5-67.80000109.1T192S190-T192 PolarHBondContact O-N 3.1Å
191L96.5Very high96.5Very high1 Ų150.8 Ų50.81%0.00528%0.277CS..  trans-84.4103.1-175.9-58.3-172.9000109.7L134 L162 D189 V195 L198 V203 G206 A207 L209L134-L191 HydrophobicContact CD1-CD2 4.5Å; L134-L191 HydrophobicContact CD2-CD2 3.88Å; L134-L191 HydrophobicContact CG-CD2 4.49Å; L162-L191 HydrophobicContact CD1-CD2 4.25Å; L162-L191 HydrophobicContact CD2-CD1 4.01Å; L162-L191 HydrophobicContact CD2-CD2 4.32Å; D189-L191 HydrophobicContact CB-CD2 4.49Å; L191-V195 HydrophobicContact CD2-CG2 4.43Å; L191-L198 HydrophobicContact CB-CD2 3.89Å; L191-L198 HydrophobicContact CD1-CD2 3.9Å; L191-L198 HydrophobicContact CD2-CD2 4.37Å; L191-L198 HydrophobicContact CG-CD2 4.28Å; L191-V203 HydrophobicContact CD1-CB 4.04Å; L191-V203 HydrophobicContact CD1-CG1 3.3Å; L191-V203 HydrophobicContact CD1-CG2 4.49Å; L191-G206 WeakPolarHBondContact O-CA 3.37Å; L191-G206 PolarHBondContact O-N 3.37Å; L191-A207 WeakPolarHBondContact CB-O 3.4Å; L191-A207 HydrophobicContact CD1-CB 4.19Å; L191-A207 WeakPolarHBondContact CG-O 3.49Å; L191-A207 PolarHBondContact N-O 2.95Å; L191-L209 HydrophobicContact CD1-CD1 3.8Å; L191-L209 HydrophobicContact CD1-CG 3.96Å; L191-L209 HydrophobicContact CG-CD1 4.47Å; L191-L209 HydrophobicContact CG-CG 4.4Å
192T94.6Very high96.3Very high65 Ų6552.6 Ų52.640%0.39930%0.302SS..  trans-103.9174.7179.770.90000110.9S190 R194 V195 L198S190-T192 PolarHBondContact O-N 3.1Å; T192-R194 PolarHBondContact O-N 3.49Å; T192-R194 PolarHBondContact OG1-N 3.2Å; T192-V195 WeakPolarHBondContact O-CB 3.43Å; T192-V195 PolarHBondContact O-N 2.87Å; T192-L198 WeakPolarHBondContact O-CD1 3.42Å
193E93.1Very high96.1Very high157 Ų15753.7 Ų53.773%0.73431%0.309SS*.THydrogen-bonded Turntrans-59.9-12.2172.6-54.9-57.9154.200113.8V195 P205E193-V195 PolarHBondContact O-N 3.03Å; E193-P205 WeakPolarHBondContact OE1-CB 3.47Å; E193-P205 WeakPolarHBondContact OE1-CG 3.47Å
194R95Very high95.6Very high98 Ų9860 Ų6037%0.3734%0.341SS..THydrogen-bonded Turntrans-77-8.9174.4-57.9176.389.2-179.613.5113.2E154 Y157 S160 T192 A196E154-R194 IonicContact OE1-CZ 2.74Å; E154-R194 VanDerWaalsContact OE1-CZ 3.25Å; E154-R194 IonicContact OE1-NH1 3.39Å; E154-R194 PolarHBondContact OE1-NH1 3.45Å; E154-R194 IonicContact OE1-NH2 3.22Å; E154-R194 PolarHBondContact OE1-NH2 3.26Å; E154-R194 IonicContact OE2-NH1 3.42Å; Y157-R194 HydrophobicContact CE1-CB 3.96Å; Y157-R194 HydrophobicContact CE1-CG 4.34Å; Y157-R194 WeakPolarHBondContact OH-CB 3.4Å; S160-R194 PolarHBondContact N-O 3.48Å; T192-R194 PolarHBondContact O-N 3.49Å; T192-R194 PolarHBondContact OG1-N 3.2Å; R194-A196 PolarHBondContact O-N 3.1Å
195V97.7Very high95.2Very high6 Ų657.4 Ų57.44%0.03634%0.335CS..BIsolated β-bridgetrans-87.5102.3177.4-175.60000109L134 S160 L162 L191 T192 E193 N197 L198L134-V195 HydrophobicContact CD1-CG2 4.24Å; L134-V195 HydrophobicContact CD2-CG1 4.02Å; L134-V195 HydrophobicContact CD2-CG2 3.89Å; S160-V195 CarbonylContact O-C 3.59Å; S160-V195 WeakPolarHBondContact O-CA 3.21Å; L162-V195 HydrophobicContact CB-CG1 3.8Å; L191-V195 HydrophobicContact CD2-CG2 4.43Å; T192-V195 WeakPolarHBondContact O-CB 3.43Å; T192-V195 PolarHBondContact O-N 2.87Å; E193-V195 PolarHBondContact O-N 3.03Å; V195-N197 VanDerWaalsContact C-N 3.26Å; V195-N197 PolarHBondContact O-N 2.59Å; V195-N197 VanDerWaalsContact O-N 3.15Å; V195-L198 HydrophobicContact CB-CD1 4.13Å; V195-L198 HydrophobicContact CB-CD2 3.86Å; V195-L198 HydrophobicContact CB-CG 3.75Å; V195-L198 HydrophobicContact CG1-CD2 3.64Å; V195-L198 HydrophobicContact CG1-CG 3.82Å; V195-L198 WeakPolarHBondContact O-CG 3.14Å
196A97.3Very high95Very high10 Ų1058.4 Ų58.48%0.08335%0.346CS..THydrogen-bonded Turntrans-69.6-16.3-165.800000115.1V16 D18 A19 L159 S160 L161 R194V16-A196 HydrophobicContact CG1-CB 4.07Å; V16-A196 VanDerWaalsContact CG1-O 3.28Å; V16-A196 WeakPolarHBondContact CG1-O 3.4Å; D18-A196 HydrophobicContact CB-CB 4.13Å; D18-A196 WeakPolarHBondContact O-CB 3.34Å; A19-A196 HydrophobicContact CB-CB 4.19Å; L159-A196 HydrophobicContact CD1-CB 4.3Å; S160-A196 PolarHBondContact O-N 2.98Å; L161-A196 HydrophobicContact CD2-CB 4.02Å; R194-A196 PolarHBondContact O-N 3.1Å
197N97.5Very high94.8Very high2 Ų258.5 Ų58.51%0.01135%0.349CS..THydrogen-bonded Turntrans-116.721.6-173.974.3-35.1000114.1V16 Y25 L161 L162 V195 L199 A200 A201V16-N197 HydrophobicContact CG1-CB 3.75Å; V16-N197 HydrophobicContact CG2-CB 3.89Å; Y25-N197 WeakPolarHBondContact CD2-ND2 3.16Å; L161-N197 HydrophobicContact CD2-CB 4.13Å; L162-N197 PolarHBondContact N-OD1 2.87Å; L162-N197 PolarHBondContact O-ND2 2.88Å; V195-N197 VanDerWaalsContact C-N 3.26Å; V195-N197 PolarHBondContact O-N 2.59Å; V195-N197 VanDerWaalsContact O-N 3.15Å; N197-L199 VanDerWaalsContact C-N 3.34Å; N197-L199 PolarHBondContact O-N 2.8Å; N197-A200 HydrophobicContact CB-CB 4.44Å; N197-A200 PolarHBondContact O-N 3.19Å; N197-A201 VanDerWaalsContact O-CB 3.27Å; N197-A201 WeakPolarHBondContact O-CB 3.27Å; N197-A201 PolarHBondContact O-N 3.35Å
198L96Very high94.7Very high11 Ų1157.6 Ų57.66%0.05835%0.351CS..THydrogen-bonded Turntrans-54.4-46.6-177.6-72.5176.9000113.2L162 L191 T192 V195 A201 G202 V203 P205L162-L198 HydrophobicContact CD2-CD2 4.43Å; L191-L198 HydrophobicContact CB-CD2 3.89Å; L191-L198 HydrophobicContact CD1-CD2 3.9Å; L191-L198 HydrophobicContact CD2-CD2 4.37Å; L191-L198 HydrophobicContact CG-CD2 4.28Å; T192-L198 WeakPolarHBondContact O-CD1 3.42Å; V195-L198 HydrophobicContact CB-CD1 4.13Å; V195-L198 HydrophobicContact CB-CD2 3.86Å; V195-L198 HydrophobicContact CB-CG 3.75Å; V195-L198 HydrophobicContact CG1-CD2 3.64Å; V195-L198 HydrophobicContact CG1-CG 3.82Å; V195-L198 WeakPolarHBondContact O-CG 3.14Å; L198-A201 CarbonylContact O-C 3.35Å; L198-A201 PolarHBondContact O-N 3.45Å; L198-G202 PolarHBondContact O-N 2.52Å; L198-V203 CarbonylContact C-O 3.49Å; L198-V203 HydrophobicContact CD2-CB 4.37Å; L198-V203 PolarHBondContact O-N 2.89Å; L198-P205 HydrophobicContact CD1-CB 4.1Å; L198-P205 HydrophobicContact CD1-CG 3.8Å
199L93.1Very high94.7Very high156 Ų15655.4 Ų55.482%0.81734%0.343SS*.THydrogen-bonded Turntrans-61.8-47.2178.2-177.865.7000111.6N197 A201 G202N197-L199 VanDerWaalsContact C-N 3.34Å; N197-L199 PolarHBondContact O-N 2.8Å; L199-A201 PolarHBondContact O-N 3.33Å; L199-G202 PolarHBondContact O-N 2.93Å
200A94.2Very high94.7Very high48 Ų4859.8 Ų59.840%0.39737%0.369SS..THydrogen-bonded Turntrans-66-29.3178.500000112.4Y25 N197 G202Y25-A200 HydrophobicContact CD1-CB 3.95Å; N197-A200 HydrophobicContact CB-CB 4.44Å; N197-A200 PolarHBondContact O-N 3.19Å; A200-G202 VanDerWaalsContact C-N 3.3Å
201A94.9Very high94.8Very high5 Ų556.9 Ų56.94%0.04135%0.347CS..THydrogen-bonded Turntrans-83.2-2.7174.300000113.2Y25 L162 R164 N197 L198 L199Y25-A201 HydrophobicContact CE1-CB 4.08Å; L162-A201 HydrophobicContact CB-CB 4.48Å; L162-A201 HydrophobicContact CD2-CB 3.89Å; L162-A201 HydrophobicContact CG-CB 4.34Å; R164-A201 WeakPolarHBondContact CD-O 3.47Å; R164-A201 HydrophobicContact CG-CB 4.41Å; R164-A201 PolarHBondContact NH1-O 2.98Å; N197-A201 VanDerWaalsContact O-CB 3.27Å; N197-A201 WeakPolarHBondContact O-CB 3.27Å; N197-A201 PolarHBondContact O-N 3.35Å; L198-A201 CarbonylContact O-C 3.35Å; L198-A201 PolarHBondContact O-N 3.45Å; L199-A201 PolarHBondContact O-N 3.33Å
202G92.9Very high94.9Very high62 Ų6258.4 Ų58.464%0.63936%0.362SS*.THydrogen-bonded Turntrans64.339.4179.900000113.4L198 L199 A200L198-G202 PolarHBondContact O-N 2.52Å; L199-G202 PolarHBondContact O-N 2.93Å; A200-G202 VanDerWaalsContact C-N 3.3Å
203V92.5Very high95.1Very high24 Ų2458.2 Ų58.215%0.14536%0.361CS..  trans-129146.3178.4-166.70000110.7L162 L191 L198 A207L162-V203 HydrophobicContact CD2-CB 4.38Å; L162-V203 HydrophobicContact CD2-CG2 3.8Å; L191-V203 HydrophobicContact CD1-CB 4.04Å; L191-V203 HydrophobicContact CD1-CG1 3.3Å; L191-V203 HydrophobicContact CD1-CG2 4.49Å; L198-V203 CarbonylContact C-O 3.49Å; L198-V203 HydrophobicContact CD2-CB 4.37Å; L198-V203 PolarHBondContact O-N 2.89Å; V203-A207 HydrophobicContact CG1-CB 4.07Å
204L87.4Confident95.4Very high141 Ų14151.4 Ų51.474%0.73833%0.329SS*.  trans-89.4145.6175.5-63.7174.6000111
205P90.5Very high95.6Very high61 Ų6146.8 Ų46.840%0.39631%0.311SS..THydrogen-bonded Turntrans-56.3149.2169.3-20.730.4000112.2E193 L198E193-P205 WeakPolarHBondContact OE1-CB 3.47Å; E193-P205 WeakPolarHBondContact OE1-CG 3.47Å; L198-P205 HydrophobicContact CD1-CB 4.1Å; L198-P205 HydrophobicContact CD1-CG 3.8Å
206G92.7Very high95.6Very high70 Ų7046.7 Ų46.772%0.72231%0.311SS*.THydrogen-bonded Turntrans88.1-7.8-179.300000115L191L191-G206 WeakPolarHBondContact O-CA 3.37Å; L191-G206 PolarHBondContact O-N 3.37Å
207A94.5Very high95.7Very high33 Ų3346.2 Ų46.227%0.27331%0.307SS..  trans-70.1146.817500000111.9L191 V203L191-A207 WeakPolarHBondContact CB-O 3.4Å; L191-A207 HydrophobicContact CD1-CB 4.19Å; L191-A207 WeakPolarHBondContact CG-O 3.49Å; L191-A207 PolarHBondContact N-O 2.95Å; V203-A207 HydrophobicContact CG1-CB 4.07Å
208T96.9Very high95.8Very high86 Ų8646.9 Ų46.953%0.52831%0.312SS..EExtended strand (participates in β ladder)trans-113.1128.2169.3-58.30000108.9H188 D189H188-T208 HydrophobicContact CB-CG2 4.03Å; D189-T208 CarbonylContact O-C 3.48Å; D189-T208 WeakPolarHBondContact O-CA 3.4Å
209L97.6Very high95.9Very high47 Ų4746.4 Ų46.425%0.24631%0.309CS..EExtended strand (participates in β ladder)trans-112.3135.4179.1-57.3-175.9000110.4H132 L162 H188 D189 L191H132-L209 WeakPolarHBondContact CE1-CB 3.47Å; H132-L209 WeakPolarHBondContact NE2-CB 3.47Å; L162-L209 HydrophobicContact CD1-CD1 4.25Å; L162-L209 HydrophobicContact CD2-CD1 4.39Å; H188-L209 CarbonylContact C-O 3.59Å; H188-L209 VanDerWaalsContact CA-O 3.24Å; H188-L209 WeakPolarHBondContact CA-O 3.35Å; D189-L209 PolarHBondContact N-O 3.27Å; D189-L209 PolarHBondContact O-N 2.85Å; L191-L209 HydrophobicContact CD1-CD1 3.8Å; L191-L209 HydrophobicContact CD1-CG 3.96Å; L191-L209 HydrophobicContact CG-CD1 4.47Å; L191-L209 HydrophobicContact CG-CG 4.4Å
210T98.4Very high96.1Very high96 Ų9639.1 Ų39.159%0.58927%0.271SS*.EExtended strand (participates in β ladder)trans-87128.2174.8-57.30000110.3H132 H188H132-T210 PolarHBondContact CE1-O 2.94Å; H188-T210 PolarHBondContact CD2-OG1 2.82Å; H188-T210 PolarHBondContact NE2-OG1 2.88Å
211R98.4Very high96.2Very high16 Ų1638 Ų386%0.0626%0.257CS..  trans-74.8134.7177-64.9-164.6-176.3175.82.5110.8P107 T133 Q184 T186 H187 D189P107-R211 VanDerWaalsContact CG-O 3.26Å; P107-R211 WeakPolarHBondContact CG-O 3.16Å; T133-R211 PolarHBondContact OG1-NH1 3.32Å; T133-R211 PolarHBondContact OG1-NH2 3.24Å; T133-R211 VanDerWaalsContact OG1-NH2 3.11Å; Q184-R211 PolarHBondContact O-NH1 2.86Å; Q184-R211 PolarHBondContact O-NH2 3.22Å; T186-R211 VanDerWaalsContact CG2-CZ 3.44Å; T186-R211 WeakPolarHBondContact O-CD 3.3Å; H187-R211 PolarHBondContact O-N 2.92Å; D189-R211 IonicContact OD1-CZ 3.28Å; D189-R211 IonicContact OD1-NE 2.66Å; D189-R211 PolarHBondContact OD1-NE 2.94Å; D189-R211 IonicContact OD1-NH2 3.26Å; D189-R211 PolarHBondContact OD1-NH2 2.75Å; D189-R211 IonicContact OD2-CZ 2.73Å; D189-R211 IonicContact OD2-NE 3.18Å; D189-R211 PolarHBondContact OD2-NE 3.2Å; D189-R211 IonicContact OD2-NH2 2.75Å; D189-R211 PolarHBondContact OD2-NH2 3.14Å
212G98.7Very high96.3Very high32 Ų3237.8 Ų37.833%0.3326%0.255SS..  trans-98.1-167.1158.400000111.1S131 R214S131-G212 WeakPolarHBondContact CB-O 3.27Å; S131-G212 PolarHBondContact OG-N 3.26Å; G212-R214 PolarHBondContact O-N 2.74Å
213T98.7Very high96.3Very high61 Ų6138.3 Ų38.337%0.37425%0.247SC..  trans-68.9123.8169-580000109.6E104 Y105 S131E104-T213 HydrophobicContact CG-CG2 3.76Å; Y105-T213 CarbonylContact O-C 3.53Å; Y105-T213 WeakPolarHBondContact O-CA 3.43Å; S131-T213 WeakPolarHBondContact CB-O 3.23Å; S131-T213 PolarHBondContact N-O 2.92Å
214R98.7Very high96.4Very high14 Ų1442.4 Ų42.45%0.05327%0.267CS..EExtended strand (participates in β ladder)trans-105.2135.8175.3177177.4178.2-88.60.5109.9E104 Y105 S128 L129 S131 G212 S216E104-R214 CarbonylContact C-O 3.5Å; E104-R214 WeakPolarHBondContact CA-O 3.31Å; Y105-R214 PolarHBondContact N-O 2.84Å; Y105-R214 PolarHBondContact O-N 2.82Å; S128-R214 PolarHBondContact OG-NH2 3.37Å; L129-R214 WeakPolarHBondContact O-CA 3.34Å; S131-R214 WeakPolarHBondContact O-CG 3.42Å; G212-R214 PolarHBondContact O-N 2.74Å; R214-S216 PolarHBondContact NH1-OG 3.2Å
215V98.9Very high96.6Very high1 Ų138.7 Ų38.71%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-115.3141.7165.4175.10000108.5L39 V42 Y43 V102 N103 E104 L129 L217L39-V215 HydrophobicContact CD2-CB 3.92Å; L39-V215 HydrophobicContact CD2-CG2 3.87Å; V42-V215 HydrophobicContact CG1-CG1 4.2Å; V42-V215 HydrophobicContact CG2-CG1 4.45Å; Y43-V215 HydrophobicContact CE2-CG2 4.49Å; V102-V215 HydrophobicContact CG1-CG1 3.6Å; N103-V215 CarbonylContact O-C 3.55Å; N103-V215 VanDerWaalsContact O-CA 3.26Å; N103-V215 WeakPolarHBondContact O-CA 3.39Å; E104-V215 HydrophobicContact CB-CG2 4.21Å; E104-V215 HydrophobicContact CG-CG2 4.3Å; L129-V215 WeakPolarHBondContact CA-O 3.36Å; L129-V215 HydrophobicContact CB-CB 4.2Å; L129-V215 HydrophobicContact CD1-CB 4.46Å; L129-V215 HydrophobicContact CD1-CG1 4.19Å; L129-V215 PolarHBondContact N-O 3.04Å; L129-V215 PolarHBondContact O-N 3Å; V215-L217 HydrophobicContact CG1-CD1 4.13Å
216S98.8Very high96.6Very high4 Ų440.3 Ų40.33%0.02825%0.254CS..EExtended strand (participates in β ladder)trans-131.9136.9173.763.90000112.3V102 N103 I127 R214V102-S216 CarbonylContact C-O 3.58Å; V102-S216 VanDerWaalsContact CA-O 3.27Å; V102-S216 WeakPolarHBondContact CA-O 3.45Å; N103-S216 PolarHBondContact N-O 2.87Å; N103-S216 PolarHBondContact O-N 3.19Å; I127-S216 CarbonylContact O-C 3.47Å; I127-S216 VanDerWaalsContact O-CA 3.31Å; I127-S216 WeakPolarHBondContact O-CA 3.48Å; R214-S216 PolarHBondContact NH1-OG 3.2Å
217L98.9Very high96Very high0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-102.5101.6172.8-76.962.1000107.8L38 V42 W78 L79 V100 V102 T126 I127 L129 V215 V219L38-L217 HydrophobicContact CD1-CD2 4.3Å; L38-L217 HydrophobicContact CD2-CD2 3.8Å; V42-L217 HydrophobicContact CG2-CD1 4.49Å; W78-L217 HydrophobicContact CZ3-CD2 4.38Å; L79-L217 HydrophobicContact CD2-CD2 3.62Å; L79-L217 HydrophobicContact CD2-CG 4.37Å; V100-L217 HydrophobicContact CG1-CB 4.17Å; V100-L217 HydrophobicContact CG1-CG 4.39Å; V102-L217 HydrophobicContact CG1-CD1 4.39Å; V102-L217 HydrophobicContact CG2-CG 4.23Å; T126-L217 WeakPolarHBondContact CA-O 3.33Å; I127-L217 HydrophobicContact CB-CB 4.35Å; I127-L217 PolarHBondContact N-O 3.04Å; I127-L217 PolarHBondContact O-N 3.17Å; L129-L217 HydrophobicContact CD1-CD1 3.52Å; L129-L217 HydrophobicContact CG-CD1 4.23Å; V215-L217 HydrophobicContact CG1-CD1 4.13Å; L217-V219 HydrophobicContact CB-CG2 4.46Å; L217-V219 PolarHBondContact O-N 3.24Å
218T98.6Very high94.6Very high17 Ų1749.5 Ų49.510%0.10428%0.275CS..EExtended strand (participates in β ladder)trans-85.2106.4173.5-54.10000108.4V100 L101 V124 T125 R220V100-T218 WeakPolarHBondContact CA-O 3.43Å; L101-T218 PolarHBondContact N-O 2.95Å; L101-T218 PolarHBondContact O-N 3.49Å; V124-T218 HydrophobicContact CG2-CG2 3.45Å; V124-T218 VanDerWaalsContact CG2-CG2 3.45Å; T125-T218 CarbonylContact O-C 3.48Å; T125-T218 WeakPolarHBondContact O-CA 3.26Å; T218-R220 HydrophobicContact CG2-CG 4.08Å
219V98.4Very high92.6Very high1 Ų152.4 Ų52.41%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-101.7128.7-174.1177.80000109.4C83 I86 F92 A97 V100 T125 L217C83-V219 HydrophobicContact CB-CG1 4.42Å; I86-V219 HydrophobicContact CD1-CB 3.93Å; I86-V219 HydrophobicContact CD1-CG1 4.1Å; I86-V219 HydrophobicContact CD1-CG2 3.95Å; F92-V219 HydrophobicContact CZ-CG1 4.5Å; A97-V219 HydrophobicContact CB-CG1 3.44Å; A97-V219 VanDerWaalsContact CB-CG1 3.44Å; V100-V219 HydrophobicContact CG1-CG2 4.15Å; V100-V219 HydrophobicContact CG2-CG1 4.49Å; V100-V219 HydrophobicContact CG2-CG2 4.05Å; T125-V219 PolarHBondContact N-O 3.28Å; T125-V219 PolarHBondContact O-N 3.14Å; T125-V219 WeakPolarHBondContact OG1-CB 3.41Å; T125-V219 PolarHBondContact OG1-O 3.17Å; L217-V219 HydrophobicContact CB-CG2 4.46Å; L217-V219 PolarHBondContact O-N 3.24Å
220R97.2Very high90.6Very high3 Ų357.6 Ų57.61%0.01131%0.314CS..EExtended strand (participates in β ladder)trans-142.2160.4-169.7-45.7-174.984.5140.418.7112.1A97 N98 H99 D116 Y120 Y176 T218A97-R220 CarbonylContact C-O 3.56Å; A97-R220 WeakPolarHBondContact CA-O 3.4Å; A97-R220 WeakPolarHBondContact CB-O 3.48Å; N98-R220 PolarHBondContact N-O 3.35Å; H99-R220 PolarHBondContact N-O 2.65Å; H99-R220 VanDerWaalsContact N-O 3.16Å; H99-R220 PolarHBondContact O-N 3.3Å; D116-R220 VanDerWaalsContact CG-CZ 3.43Å; D116-R220 IonicContact OD1-CZ 3.56Å; D116-R220 IonicContact OD1-NH1 3.25Å; D116-R220 PolarHBondContact OD1-NH1 2.84Å; D116-R220 IonicContact OD1-NH2 2.9Å; D116-R220 PolarHBondContact OD1-NH2 3.07Å; D116-R220 IonicContact OD2-CZ 3.22Å; D116-R220 IonicContact OD2-NH1 2.86Å; D116-R220 IonicContact OD2-NH2 3.7Å; D116-R220 PolarHBondContact OD2-NH2 3.44Å; Y120-R220 HydrophobicContact CD1-CB 3.73Å; Y120-R220 HydrophobicContact CD1-CG 4.27Å; Y120-R220 VanDerWaalsContact CD2-NE 3.35Å; Y120-R220 HydrophobicContact CE1-CB 4.23Å; Y120-R220 HydrophobicContact CG-CB 4.36Å; Y176-R220 PolarHBondContact OH-NH2 3.22Å; T218-R220 HydrophobicContact CG2-CG 4.08Å
221H96.8Very high88.2Confident24 Ų2461 Ų6111%0.11133%0.328CS..  trans-107.8123.816717775.7000110.2F92 T96 Y120 H121F92-H221 HydrophobicContact CB-CB 4.2Å; F92-H221 HydrophobicContact CD1-CB 3.95Å; F92-H221 HydrophobicContact CG-CB 4.03Å; T96-H221 PolarHBondContact O-ND1 2.93Å; Y120-H221 WeakPolarHBondContact CA-O 3.47Å; H121-H221 HydrophobicContact CB-CB 4Å; H121-H221 PolarHBondContact N-O 3.15Å
222V96.2Very high86Confident0 Ų067.6 Ų67.60%036%0.364CS..  trans-97.8116.8169.6-178.40000108.9M70 N98 H99 L119 Y120M70-V222 HydrophobicContact CB-CB 4.4Å; M70-V222 HydrophobicContact CB-CG1 3.77Å; M70-V222 HydrophobicContact CB-CG2 4.49Å; M70-V222 HydrophobicContact CE-CB 4.06Å; M70-V222 HydrophobicContact CE-CG2 4.09Å; M70-V222 HydrophobicContact SD-CB 4.49Å; M70-V222 HydrophobicContact SD-CG2 3.99Å; N98-V222 PolarHBondContact ND2-O 2.95Å; N98-V222 PolarHBondContact OD1-N 2.96Å; H99-V222 HydrophobicContact CB-CG2 3.83Å; L119-V222 HydrophobicContact CD1-CG1 3.91Å; L119-V222 HydrophobicContact CG-CG1 3.99Å; L119-V222 HydrophobicContact CG-CG2 4.48Å; Y120-V222 HydrophobicContact CD1-CG2 3.62Å; Y120-V222 HydrophobicContact CE1-CG2 3.7Å
223P93.9Very high83.6Confident73 Ų7369.3 Ų69.347%0.47438%0.382SS..SBendtrans-68.8-39-176.4-2233.9000114.1L119L119-P223 VanDerWaalsContact O-CD 3.28Å; L119-P223 WeakPolarHBondContact O-CD 3.44Å
224I93.9Very high81Confident110 Ų11078.4 Ų78.456%0.56441%0.409SS*.  trans-102.8104.5-175.2-54.6177.1000109.1K68 G69 M70K68-I224 WeakPolarHBondContact O-CG2 3.38Å; G69-I224 CarbonylContact C-O 3.43Å; G69-I224 VanDerWaalsContact CA-O 3.26Å; G69-I224 WeakPolarHBondContact CA-O 3.39Å; M70-I224 PolarHBondContact N-O 2.92Å
225V92.7Very high78.5Confident63 Ų6390.9 Ų90.938%0.38246%0.464SS..EExtended strand (participates in β ladder)trans-115.3118.8178.4-174.60000110.3M70 N98M70-V225 HydrophobicContact CE-CG2 4.14Å; M70-V225 CarbonylContact O-C 3.44Å; M70-V225 WeakPolarHBondContact O-CA 3.44Å; N98-V225 WeakPolarHBondContact ND2-CG2 3.26Å
226M89.9Confident77.5Confident95 Ų9595.4 Ų95.447%0.46849%0.487SS..EExtended strand (participates in β ladder)trans-84.4132.3173-59.9178.770.600109.3M70 G72M70-M226 PolarHBondContact O-N 3.27Å; G72-M226 PolarHBondContact N-O 3.06Å; G72-M226 VanDerWaalsContact N-O 3.16Å
227R79.2Confident76.4Confident226 Ų226100.2 Ų100.285%0.85351%0.511SS*.  trans-87136169.1-65.9-175.7-179.81790.4109.1N229R227-N229 PolarHBondContact O-N 3.37Å; R227-N229 VanDerWaalsContact O-N 3.13Å
228A65.3Low75.1Confident71 Ų71105.7 Ų105.759%0.58754%0.539SS*.  trans-66.4110.9164.100000107.6L71 L230L71-A228 HydrophobicContact CD1-CB 4.19Å; A228-L230 PolarHBondContact O-N 3.08Å
229N55.8Low73.8Confident146 Ų146110.9 Ų110.978%0.78157%0.565SS**  trans-68.2102.4166.5-74.4-13.3000106.9R227 L231R227-N229 PolarHBondContact O-N 3.37Å; R227-N229 VanDerWaalsContact O-N 3.13Å; N229-L231 PolarHBondContact O-N 3.28Å
230L56Low72.2Confident157 Ų157117.8 Ų117.882%0.82260%0.599SS**  trans-64.393.4162.7-83.1150.6000106.7A228 L232A228-L230 PolarHBondContact O-N 3.08Å; L230-L232 PolarHBondContact O-N 2.97Å
231L48Very low70.6Confident166 Ų166125.5 Ų125.587%0.86964%0.639SS**  trans-64.388.9161.2-80.8158.6000106.4N229 G233N229-L231 PolarHBondContact O-N 3.28Å; L231-G233 VanDerWaalsContact C-N 3.28Å; L231-G233 PolarHBondContact O-N 3.32Å
232L51.2Low68.7Low155 Ų155132.7 Ų132.781%0.81268%0.676SS**  trans-61.198.9161.6-80.4158000106L230 R234L230-L232 PolarHBondContact O-N 2.97Å; L232-R234 PolarHBondContact O-N 3.21Å
233G48.4Very low66.6Low69 Ų69142.9 Ų142.971%0.71173%0.728SS**  trans-53.6114.6169.800000108.2L231 K235L231-G233 VanDerWaalsContact C-N 3.28Å; L231-G233 PolarHBondContact O-N 3.32Å; G233-K235 PolarHBondContact O-N 3.14Å; G233-K235 VanDerWaalsContact O-N 3.13Å
234R43.6Very low64.3Low251 Ų251148.8 Ų148.895%0.94775%0.75SS**  trans-58.9115.1167-74.3179.1171.7177.8-3.6106.6L232L232-R234 PolarHBondContact O-N 3.21Å
235K47.5Very low61.6Low276 Ų276152.3 Ų152.3100%1.277%0.766SS**  trans-69.60158.7-78.6-173.4176.3-177.50109.1G233G233-K235 PolarHBondContact O-N 3.14Å; G233-K235 VanDerWaalsContact O-N 3.13Å

Retrieved 235 of 235 residues in 73.1 ms (Link to these results)

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