A0A5K4F3M7_SCHMA Loading...

Major egg antigen

AlphaFold DB , UniProt , Accession A0A5K4F3M7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.4Very low55.2Low250 Ų250121.5 Ų121.5100%1.23272%0.72SS**  090.90-71.6178.3158.200107.6G3M1-G3 PolarHBondContact O-N 3.04Å
2S34.4Very low58.7Low125 Ų125112.3 Ų112.387%0.87467%0.665SS**  trans-76.9103.3168.9-177.90000106.2G4S2-G4 PolarHBondContact O-N 3.39Å
3G29.7Very low61.5Low69 Ų69110.4 Ų110.471%0.71166%0.657SS**  trans-67.598.2173.600000108.1M1 K5M1-G3 PolarHBondContact O-N 3.04Å; G3-K5 PolarHBondContact O-N 3.18Å
4G33.5Very low64.1Low69 Ų69104.4 Ų104.471%0.71162%0.622SS**  trans-57.5110.9168.700000107.9S2 Q6S2-G4 PolarHBondContact O-N 3.39Å; G4-Q6 VanDerWaalsContact C-N 3.35Å; G4-Q6 PolarHBondContact O-N 3.3Å
5K39.6Very low66.2Low176 Ų176103.5 Ų103.577%0.76561%0.613SS**  trans-61104.5166.3-83.3-177.8174.9-179.90106G3 H7G3-K5 PolarHBondContact O-N 3.18Å; K5-H7 PolarHBondContact O-CD2 3.48Å; K5-H7 PolarHBondContact O-N 3.07Å
6Q39.5Very low68Low175 Ų175107.7 Ų107.782%0.81862%0.615SS**  trans-59.995160.7-112.8165.5-25.800105.9G4 N8G4-Q6 VanDerWaalsContact C-N 3.35Å; G4-Q6 PolarHBondContact O-N 3.3Å; Q6-N8 VanDerWaalsContact C-N 3.27Å; Q6-N8 PolarHBondContact O-N 3.2Å
7H55.1Low69.6Low109 Ų109103.4 Ų103.451%0.50559%0.588SS.*  trans-67.496.1170.1-82.9-91000106.4K5 A9 N160 E161K5-H7 PolarHBondContact O-CD2 3.48Å; K5-H7 PolarHBondContact O-N 3.07Å; H7-A9 PolarHBondContact O-N 3.22Å; H7-N160 WeakPolarHBondContact CB-OD1 3.44Å; H7-N160 PolarHBondContact O-ND2 3.01Å; H7-N160 VanDerWaalsContact O-ND2 3.14Å; H7-E161 HydrophobicContact CB-CG 4.38Å
8N70.2Confident71Confident133 Ų133107.3 Ų107.371%0.71160%0.6SS**PPolyproline II helixtrans-64.1122.4179.1-82.3-17.9000108.7Q6 V10Q6-N8 VanDerWaalsContact C-N 3.27Å; Q6-N8 PolarHBondContact O-N 3.2Å; N8-V10 PolarHBondContact O-N 2.82Å
9A83.6Confident72.3Confident56 Ų56104.3 Ų104.346%0.46358%0.579SS.*PPolyproline II helixtrans-59.2128.9170.700000109.6H7 S159 N160H7-A9 PolarHBondContact O-N 3.22Å; A9-S159 CarbonylContact C-O 3.55Å; A9-S159 WeakPolarHBondContact CA-O 3.5Å; A9-N160 HydrophobicContact CB-CB 4.17Å
10V92.6Very high73.6Confident94 Ų94101.2 Ų101.257%0.5757%0.565SS**EExtended strand (participates in β ladder)trans-88.5122.7176.9-179.50000108N8 T158 S159N8-V10 PolarHBondContact O-N 2.82Å; V10-T158 CarbonylContact O-C 3.56Å; V10-T158 VanDerWaalsContact O-CA 3.27Å; V10-T158 WeakPolarHBondContact O-CA 3.33Å; V10-S159 PolarHBondContact N-O 3.49Å; V10-S159 PolarHBondContact O-N 3.32Å
11S94.8Very high74.7Confident80 Ų8096.4 Ų96.456%0.55954%0.538SS*.EExtended strand (participates in β ladder)trans-77.3132.6173.2-176.20000110.2
12I96.5Very high77.7Confident12 Ų1287.7 Ų87.76%0.06249%0.494CS..EExtended strand (participates in β ladder)trans-108.2118.9178.1-58.3166.5000107.7V14 V157 L198 C200 L210I12-V14 PolarHBondContact O-N 3.34Å; I12-V157 HydrophobicContact CB-CB 4.24Å; I12-V157 HydrophobicContact CB-CG1 3.93Å; I12-V157 HydrophobicContact CD1-CG1 4.03Å; I12-V157 HydrophobicContact CG1-CG1 4.45Å; I12-V157 PolarHBondContact N-O 2.94Å; I12-L198 HydrophobicContact CD1-CB 3.71Å; I12-L198 HydrophobicContact CD1-CD1 4.07Å; I12-C200 HydrophobicContact CG2-CB 3.67Å; I12-L210 HydrophobicContact CD1-CD2 4.25Å
13P95.9Very high80.7Confident87 Ų8786.9 Ų86.957%0.56548%0.475SS*.  trans-66.5135.6-178.226.3-33.5000111.7N15P13-N15 PolarHBondContact O-N 2.91Å; P13-N15 PolarHBondContact O-ND2 2.85Å
14V97.3Very high83.9Confident26 Ų2684.1 Ų84.116%0.15844%0.444CS..EExtended strand (participates in β ladder)trans-87.4103.1175.8-177.70000109.6I12 P152 I155 V157 M202 L208I12-V14 PolarHBondContact O-N 3.34Å; V14-P152 HydrophobicContact CG1-CB 4.01Å; V14-I155 HydrophobicContact CG2-CB 4.43Å; V14-I155 HydrophobicContact CG2-CG2 4.21Å; V14-V157 HydrophobicContact CG2-CG2 3.72Å; V14-M202 HydrophobicContact CG1-CB 3.86Å; V14-L208 HydrophobicContact CB-CD1 4.5Å; V14-L208 HydrophobicContact CG1-CD1 3.5Å; V14-L208 VanDerWaalsContact CG1-CD1 3.5Å; V14-L208 HydrophobicContact CG2-CD1 4.21Å
15N96.1Very high86.9Confident92 Ų9281.2 Ų81.249%0.49241%0.411SS..EExtended strand (participates in β ladder)trans-88.5124-179-59.6-72.1000111.1P13 C200 R201 M202P13-N15 PolarHBondContact O-N 2.91Å; P13-N15 PolarHBondContact O-ND2 2.85Å; N15-C200 PolarHBondContact N-O 2.91Å; N15-C200 VanDerWaalsContact N-O 3.08Å; N15-C200 PolarHBondContact ND2-O 3.48Å; N15-R201 CarbonylContact O-C 3.55Å; N15-R201 WeakPolarHBondContact O-CA 3.49Å; N15-M202 PolarHBondContact O-N 3.16Å
16R95.1Very high89.7Confident170 Ų17078.1 Ų78.164%0.64240%0.395SS*.EExtended strand (participates in β ladder)trans-74.9131.7176.3-173.21771761700.3111.2P152 D204R16-P152 HydrophobicContact CB-CG 4.15Å; R16-P152 HydrophobicContact CG-CG 4.36Å; R16-D204 IonicContact CZ-OD1 2.8Å; R16-D204 IonicContact NE-OD1 3.47Å; R16-D204 PolarHBondContact NE-OD1 2.75Å; R16-D204 IonicContact NH2-OD1 3.96Å; R16-D204 PolarHBondContact NH2-OD1 3.48Å
17E94.2Very high92.4Very high34 Ų3472.5 Ų72.516%0.15937%0.37CS..EExtended strand (participates in β ladder)trans-106.4132.4169.5-72.5-166.317000111.1R19 Q24 R201 M202 D204E17-R19 HydrophobicContact CB-CG 4.15Å; E17-R19 PolarHBondContact O-N 3.18Å; E17-R19 IonicContact OE1-NH2 3.57Å; E17-R19 PolarHBondContact OE1-NH2 3.16Å; E17-R19 VanDerWaalsContact OE1-NH2 3.16Å; E17-R19 IonicContact OE2-CZ 3.43Å; E17-R19 IonicContact OE2-NE 3.84Å; E17-R19 PolarHBondContact OE2-NE 2.95Å; E17-R19 IonicContact OE2-NH2 2.84Å; E17-R19 PolarHBondContact OE2-NH2 2.91Å; E17-R19 VanDerWaalsContact OE2-NH2 3.15Å; E17-Q24 PolarHBondContact OE2-NE2 2.82Å; E17-R201 HydrophobicContact CG-CB 4.24Å; E17-R201 WeakPolarHBondContact OE1-CD 3.47Å; E17-R201 IonicContact OE1-CZ 2.99Å; E17-R201 IonicContact OE1-NE 3.94Å; E17-R201 IonicContact OE1-NH1 3.36Å; E17-R201 PolarHBondContact OE1-NH1 2.97Å; E17-R201 IonicContact OE2-NH1 2.8Å; E17-M202 PolarHBondContact N-O 3.05Å; E17-D204 PolarHBondContact O-N 3.38Å
18Q94.8Very high94.3Very high174 Ų17468 Ų6881%0.81335%0.35SS*.SBendtrans-82.753.1179-64.9-174.914.400112.7D204Q18-D204 WeakPolarHBondContact CA-OD2 3.22Å
19R96.3Very high95.5Very high50 Ų5061.6 Ų61.619%0.18932%0.316CS..SBendtrans-156.915317854.7-177.4178.5-176.4-4110.4E17 K23 Q24 D27 T203 D204E17-R19 HydrophobicContact CB-CG 4.15Å; E17-R19 PolarHBondContact O-N 3.18Å; E17-R19 IonicContact OE1-NH2 3.57Å; E17-R19 PolarHBondContact OE1-NH2 3.16Å; E17-R19 VanDerWaalsContact OE1-NH2 3.16Å; E17-R19 IonicContact OE2-CZ 3.43Å; E17-R19 IonicContact OE2-NE 3.84Å; E17-R19 PolarHBondContact OE2-NE 2.95Å; E17-R19 IonicContact OE2-NH2 2.84Å; E17-R19 PolarHBondContact OE2-NH2 2.91Å; E17-R19 VanDerWaalsContact OE2-NH2 3.15Å; R19-K23 HydrophobicContact CB-CB 4.16Å; R19-K23 HydrophobicContact CB-CD 3.88Å; R19-K23 HydrophobicContact CB-CG 4.08Å; R19-Q24 HydrophobicContact CG-CB 4.27Å; R19-D27 WeakPolarHBondContact CD-OD2 3.3Å; R19-D27 IonicContact CZ-OD2 3.34Å; R19-D27 IonicContact NE-OD2 2.72Å; R19-D27 IonicContact NH1-OD2 3.24Å; R19-D27 PolarHBondContact NH1-OD2 2.89Å; R19-T203 WeakPolarHBondContact O-CA 3.35Å; R19-T203 VanDerWaalsContact O-CB 3.23Å; R19-T203 WeakPolarHBondContact O-CB 3.39Å; R19-D204 PolarHBondContact N-OD2 2.85Å; R19-D204 PolarHBondContact O-N 3.47Å
20S97.5Very high96.1Very high43 Ų4361.2 Ų61.230%0.30131%0.308SS..  trans-72.5162.9170.965.10000111.3E22 K23 Q24 D205S20-E22 VanDerWaalsContact C-N 3.29Å; S20-E22 PolarHBondContact O-N 2.82Å; S20-K23 PolarHBondContact O-N 3.48Å; S20-K23 VanDerWaalsContact O-N 3.16Å; S20-K23 WeakPolarHBondContact OG-CB 3.03Å; S20-K23 PolarHBondContact OG-N 2.86Å; S20-Q24 WeakPolarHBondContact O-CB 3.43Å; S20-Q24 PolarHBondContact O-N 3.21Å; S20-D205 WeakPolarHBondContact CA-OD1 3.4Å
21F97.4Very high96.1Very high1 Ų158.7 Ų58.70%0.00430%0.301CS..Hα-helixtrans-58.8-39.7174.8177-120.8000112.8Q24 R25 M70 L73 M77 R144 T203 D205 V207 M209F21-Q24 PolarHBondContact O-N 2.97Å; F21-R25 PolarHBondContact O-N 3.13Å; F21-M70 HydrophobicContact CD1-CE 3.57Å; F21-M70 HydrophobicContact CE1-CE 3.58Å; F21-M70 HydrophobicContact CE1-SD 4.32Å; F21-L73 HydrophobicContact CE1-CB 4.1Å; F21-L73 HydrophobicContact CZ-CB 4.04Å; F21-L73 HydrophobicContact CZ-CD1 4.09Å; F21-M77 HydrophobicContact CD1-CE 3.39Å; F21-M77 HydrophobicContact CE1-CE 3.32Å; F21-M77 HydrophobicContact CE2-CE 4.49Å; F21-M77 HydrophobicContact CG-CE 4.03Å; F21-M77 HydrophobicContact CZ-CE 3.93Å; F21-R144 VanDerWaalsContact CE2-NE 3.25Å; F21-R144 VanDerWaalsContact CZ-NE 3.33Å; F21-T203 HydrophobicContact CB-CG2 4.3Å; F21-D205 PolarHBondContact N-OD1 2.87Å; F21-D205 PolarHBondContact N-OD2 2.87Å; F21-V207 HydrophobicContact CB-CB 4.08Å; F21-V207 HydrophobicContact CB-CG2 3.67Å; F21-V207 HydrophobicContact CD1-CG2 4.45Å; F21-V207 HydrophobicContact CD2-CG1 4.13Å; F21-V207 HydrophobicContact CG-CB 4.33Å; F21-V207 HydrophobicContact CG-CG1 4.26Å; F21-V207 HydrophobicContact CG-CG2 4.02Å; F21-M209 HydrophobicContact CD2-CE 4.12Å; F21-M209 HydrophobicContact CE2-CE 3.77Å
22E97.6Very high96Very high67 Ų6755.5 Ų55.531%0.31328%0.277SS..Hα-helixtrans-62.3-46.7173.8155.4152.5-154.600111.6S20 Q24 R25 R26 W66 M70S20-E22 VanDerWaalsContact C-N 3.29Å; S20-E22 PolarHBondContact O-N 2.82Å; E22-Q24 PolarHBondContact O-N 2.82Å; E22-R25 PolarHBondContact O-N 3.11Å; E22-R26 WeakPolarHBondContact O-CG 3.05Å; E22-R26 PolarHBondContact O-N 3.32Å; E22-R26 IonicContact OE1-CZ 2.86Å; E22-R26 IonicContact OE1-NE 3.07Å; E22-R26 PolarHBondContact OE1-NE 2.68Å; E22-R26 IonicContact OE1-NH2 3.23Å; E22-R26 PolarHBondContact OE1-NH2 3.27Å; E22-W66 HydrophobicContact CB-CZ2 4.39Å; E22-W66 HydrophobicContact CG-CZ2 3.77Å; E22-W66 PolarHBondContact OE1-NE1 3.1Å; E22-M70 HydrophobicContact CB-CE 4Å
23K97.8Very high95.8Very high107 Ų10758.8 Ų58.847%0.46529%0.292SS..Hα-helixtrans-63.4-43.6178.9-178.4174178.2-1730111.2R19 S20 R25 R26 D27R19-K23 HydrophobicContact CB-CB 4.16Å; R19-K23 HydrophobicContact CB-CD 3.88Å; R19-K23 HydrophobicContact CB-CG 4.08Å; S20-K23 PolarHBondContact O-N 3.48Å; S20-K23 VanDerWaalsContact O-N 3.16Å; S20-K23 WeakPolarHBondContact OG-CB 3.03Å; S20-K23 PolarHBondContact OG-N 2.86Å; K23-R25 VanDerWaalsContact C-N 3.27Å; K23-R25 PolarHBondContact O-N 2.87Å; K23-R26 PolarHBondContact O-N 2.97Å; K23-R26 VanDerWaalsContact O-N 3.16Å; K23-D27 WeakPolarHBondContact O-CB 3.04Å; K23-D27 PolarHBondContact O-N 2.72Å
24Q96.7Very high95.2Very high11 Ų1162 Ų625%0.05130%0.299CS..Hα-helixtrans-55.1-42.8173.8-177.6-168.96400111.9E17 R19 S20 F21 E22 D27 L28E17-Q24 PolarHBondContact OE2-NE2 2.82Å; R19-Q24 HydrophobicContact CG-CB 4.27Å; S20-Q24 WeakPolarHBondContact O-CB 3.43Å; S20-Q24 PolarHBondContact O-N 3.21Å; F21-Q24 PolarHBondContact O-N 2.97Å; E22-Q24 PolarHBondContact O-N 2.82Å; Q24-D27 PolarHBondContact O-N 3.42Å; Q24-L28 PolarHBondContact O-N 2.73Å
25R96.9Very high93.8Very high9 Ų962.8 Ų62.83%0.03431%0.313CS..Hα-helixtrans-68.6-38.8177.9-176.665.6-179.1-177.4-1.9112.5F21 E22 K23 L28 L29 W66 M70 E132F21-R25 PolarHBondContact O-N 3.13Å; E22-R25 PolarHBondContact O-N 3.11Å; K23-R25 VanDerWaalsContact C-N 3.27Å; K23-R25 PolarHBondContact O-N 2.87Å; R25-L28 PolarHBondContact O-N 3.4Å; R25-L29 PolarHBondContact O-N 3.19Å; R25-W66 HydrophobicContact CB-CH2 3.86Å; R25-W66 HydrophobicContact CB-CZ3 4.38Å; R25-W66 HydrophobicContact CG-CH2 3.71Å; R25-W66 HydrophobicContact CG-CZ3 3.75Å; R25-M70 HydrophobicContact CB-SD 4.16Å; R25-M70 HydrophobicContact CG-SD 3.98Å; R25-E132 IonicContact CZ-OE2 3Å; R25-E132 IonicContact NH1-OE2 3.38Å; R25-E132 PolarHBondContact NH1-OE2 3.12Å; R25-E132 IonicContact NH2-OE2 3.04Å
26R97.6Very high91.6Very high110 Ų11061.4 Ų61.442%0.41532%0.32SS..Hα-helixtrans-62.9-43.8172.7-69.7-179.9178.2-1121.1111.7E22 K23 L28 L29 T30 W63 W66E22-R26 WeakPolarHBondContact O-CG 3.05Å; E22-R26 PolarHBondContact O-N 3.32Å; E22-R26 IonicContact OE1-CZ 2.86Å; E22-R26 IonicContact OE1-NE 3.07Å; E22-R26 PolarHBondContact OE1-NE 2.68Å; E22-R26 IonicContact OE1-NH2 3.23Å; E22-R26 PolarHBondContact OE1-NH2 3.27Å; K23-R26 PolarHBondContact O-N 2.97Å; K23-R26 VanDerWaalsContact O-N 3.16Å; R26-L28 VanDerWaalsContact C-N 3.28Å; R26-L28 PolarHBondContact O-N 3.41Å; R26-L29 PolarHBondContact O-N 3.5Å; R26-T30 WeakPolarHBondContact O-CB 3.46Å; R26-T30 WeakPolarHBondContact O-CG2 3.34Å; R26-T30 PolarHBondContact O-N 2.86Å; R26-T30 PolarHBondContact O-OG1 2.88Å; R26-W63 HydrophobicContact CB-CH2 4.07Å; R26-W63 HydrophobicContact CG-CH2 3.93Å; R26-W63 HydrophobicContact CG-CZ3 4.11Å; R26-W66 HydrophobicContact CB-CH2 4.49Å; R26-W66 HydrophobicContact CG-CH2 3.47Å; R26-W66 VanDerWaalsContact CG-CH2 3.47Å; R26-W66 HydrophobicContact CG-CZ2 3.91Å; R26-W66 HydrophobicContact CG-CZ3 4.07Å
27D96.1Very high89.4Confident57 Ų5754.5 Ų54.531%0.30530%0.302SS..Hα-helixtrans-61.3-38.5178.2-64.4-16000111R19 K23 Q24 T30 G31R19-D27 WeakPolarHBondContact CD-OD2 3.3Å; R19-D27 IonicContact CZ-OD2 3.34Å; R19-D27 IonicContact NE-OD2 2.72Å; R19-D27 IonicContact NH1-OD2 3.24Å; R19-D27 PolarHBondContact NH1-OD2 2.89Å; K23-D27 WeakPolarHBondContact O-CB 3.04Å; K23-D27 PolarHBondContact O-N 2.72Å; Q24-D27 PolarHBondContact O-N 3.42Å; D27-T30 WeakPolarHBondContact CA-OG1 3.45Å; D27-T30 PolarHBondContact O-OG1 2.91Å; D27-G31 WeakPolarHBondContact O-CA 3.49Å; D27-G31 PolarHBondContact O-N 2.66Å
28L95.1Very high87.4Confident14 Ų1455.6 Ų55.67%0.07332%0.317CS..Hα-helixtrans-61.8-52.4174.4173.266.4000112Q24 R25 R26 G31 L32 E135Q24-L28 PolarHBondContact O-N 2.73Å; R25-L28 PolarHBondContact O-N 3.4Å; R26-L28 VanDerWaalsContact C-N 3.28Å; R26-L28 PolarHBondContact O-N 3.41Å; L28-G31 PolarHBondContact O-N 2.85Å; L28-L32 HydrophobicContact CD1-CD1 3.86Å; L28-L32 HydrophobicContact CD1-CG 4.3Å; L28-L32 HydrophobicContact CG-CD1 4.13Å; L28-L32 WeakPolarHBondContact O-CG 2.72Å; L28-L32 PolarHBondContact O-N 3.14Å; L28-E135 HydrophobicContact CD1-CB 4.39Å; L28-E135 HydrophobicContact CD1-CG 3.71Å
29L95.8Very high85.4Confident0 Ų048.2 Ų48.20%028%0.282CS..Hα-helixtrans-63.3-48.1-178-66.5-179.9000111R25 R26 G31 L32 E33 W58 I59 W63 W66R25-L29 PolarHBondContact O-N 3.19Å; R26-L29 PolarHBondContact O-N 3.5Å; L29-G31 VanDerWaalsContact C-N 3.34Å; L29-G31 PolarHBondContact O-N 3.36Å; L29-L32 PolarHBondContact O-N 2.93Å; L29-E33 WeakPolarHBondContact O-CG 3.33Å; L29-E33 PolarHBondContact O-N 2.94Å; L29-W58 HydrophobicContact CD2-CE3 4.48Å; L29-W58 HydrophobicContact CD2-CH2 3.83Å; L29-W58 HydrophobicContact CD2-CZ3 3.77Å; L29-I59 HydrophobicContact CB-CG2 4.36Å; L29-I59 HydrophobicContact CD2-CG1 4.47Å; L29-I59 HydrophobicContact CD2-CG2 4.31Å; L29-W63 HydrophobicContact CB-CH2 4.34Å; L29-W63 HydrophobicContact CB-CZ2 3.56Å; L29-W63 HydrophobicContact CD1-CD2 3.91Å; L29-W63 HydrophobicContact CD1-CE3 4.2Å; L29-W63 HydrophobicContact CD1-CG 4.42Å; L29-W63 HydrophobicContact CD1-CH2 4.29Å; L29-W63 HydrophobicContact CD1-CZ2 4.01Å; L29-W63 HydrophobicContact CD1-CZ3 4.38Å; L29-W63 HydrophobicContact CG-CZ2 4.45Å; L29-W66 HydrophobicContact CD1-CE3 4.25Å; L29-W66 HydrophobicContact CD1-CZ3 3.89Å
30T95.3Very high83.3Confident47 Ų4753.6 Ų53.629%0.28830%0.303SS..Hα-helixtrans-62.1-41.8176.552.80000111.7R26 D27 L32 E33 H34 W63R26-T30 WeakPolarHBondContact O-CB 3.46Å; R26-T30 WeakPolarHBondContact O-CG2 3.34Å; R26-T30 PolarHBondContact O-N 2.86Å; R26-T30 PolarHBondContact O-OG1 2.88Å; D27-T30 WeakPolarHBondContact CA-OG1 3.45Å; D27-T30 PolarHBondContact O-OG1 2.91Å; T30-L32 VanDerWaalsContact C-N 3.3Å; T30-L32 PolarHBondContact O-N 3.34Å; T30-E33 PolarHBondContact O-N 2.87Å; T30-H34 PolarHBondContact O-N 3.12Å; T30-H34 PolarHBondContact O-ND1 2.95Å; T30-W63 HydrophobicContact CG2-CH2 4.35Å; T30-W63 HydrophobicContact CG2-CZ2 3.84Å
31G94.2Very high80.9Confident41 Ų4154 Ų5442%0.42331%0.314SS..Hα-helixtrans-58.2-41.3175.700000112.6D27 L28 L29 G35D27-G31 WeakPolarHBondContact O-CA 3.49Å; D27-G31 PolarHBondContact O-N 2.66Å; L28-G31 PolarHBondContact O-N 2.85Å; L29-G31 VanDerWaalsContact C-N 3.34Å; L29-G31 PolarHBondContact O-N 3.36Å; G31-G35 VanDerWaalsContact O-CA 3.23Å; G31-G35 WeakPolarHBondContact O-CA 3.44Å; G31-G35 PolarHBondContact O-N 3.18Å
32L92.4Very high78.7Confident14 Ų1459.2 Ų59.27%0.07334%0.342CS..Hα-helixtrans-71.4-36177.4-70.7168.7000113L28 L29 T30 H39 W58 I59 V133 G134L28-L32 HydrophobicContact CD1-CD1 3.86Å; L28-L32 HydrophobicContact CD1-CG 4.3Å; L28-L32 HydrophobicContact CG-CD1 4.13Å; L28-L32 WeakPolarHBondContact O-CG 2.72Å; L28-L32 PolarHBondContact O-N 3.14Å; L29-L32 PolarHBondContact O-N 2.93Å; T30-L32 VanDerWaalsContact C-N 3.3Å; T30-L32 PolarHBondContact O-N 3.34Å; L32-H39 WeakPolarHBondContact CD2-NE2 3.2Å; L32-W58 HydrophobicContact CD1-CH2 4.31Å; L32-W58 HydrophobicContact CD1-CZ3 3.71Å; L32-I59 HydrophobicContact CB-CD1 3.63Å; L32-I59 HydrophobicContact CB-CG1 4.38Å; L32-V133 HydrophobicContact CD1-CG1 3.88Å; L32-G134 WeakPolarHBondContact CD2-O 3.42Å
33E90.8Very high76.5Confident81 Ų8162.3 Ų62.338%0.37937%0.371SS..Hα-helixtrans-65.1-49.8174.7-71.8171.315100112.2L29 T30 I59 W63L29-E33 WeakPolarHBondContact O-CG 3.33Å; L29-E33 PolarHBondContact O-N 2.94Å; T30-E33 PolarHBondContact O-N 2.87Å; E33-I59 HydrophobicContact CG-CD1 4.23Å; E33-I59 HydrophobicContact CG-CG2 3.45Å; E33-I59 VanDerWaalsContact CG-CG2 3.45Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.47Å; E33-W63 PolarHBondContact OE1-NE1 3.02Å
34H85.1Confident74.7Confident153 Ų15364 Ų6471%0.70838%0.384SS*.Hα-helixtrans-80.4-24-175.8-63.383.2000112.1T30 G36T30-H34 PolarHBondContact O-N 3.12Å; T30-H34 PolarHBondContact O-ND1 2.95Å; H34-G36 PolarHBondContact O-N 2.95Å
35G66.3Low73.6Confident43 Ų4364.8 Ų64.844%0.44339%0.392SS..THydrogen-bonded Turntrans-64.5-7-173.200000115.1G31 G37G31-G35 VanDerWaalsContact O-CA 3.23Å; G31-G35 WeakPolarHBondContact O-CA 3.44Å; G31-G35 PolarHBondContact O-N 3.18Å; G35-G37 WeakPolarHBondContact O-CA 3.42Å; G35-G37 PolarHBondContact O-N 2.82Å
36G51.3Low72.8Confident63 Ų6366.8 Ų66.865%0.64941%0.406SS*.THydrogen-bonded Turntrans43.922.2153.600000118.8H34H34-G36 PolarHBondContact O-N 2.95Å
37G48.7Very low72.3Confident25 Ų2563 Ų6326%0.25839%0.392SS..THydrogen-bonded Turntrans171.5-27.7-163.300000118.1G35 G41G35-G37 WeakPolarHBondContact O-CA 3.42Å; G35-G37 PolarHBondContact O-N 2.82Å; G37-G41 CarbonylContact O-C 3.52Å; G37-G41 WeakPolarHBondContact O-CA 3.11Å; G37-G41 PolarHBondContact O-N 2.81Å
38A51.1Low71.9Confident57 Ų5760.9 Ų60.947%0.47138%0.381SS..THydrogen-bonded Turntrans-67.2-39.5175.200000111.7
39H53.8Low71.5Confident19 Ų1969.3 Ų69.39%0.08842%0.42CS..THydrogen-bonded Turntrans-88.7-38.2170.8-62.3-49.2000113.7L32 P52 D136 G137L32-H39 WeakPolarHBondContact CD2-NE2 3.2Å; H39-P52 WeakPolarHBondContact O-CG 3.38Å; H39-D136 PolarHBondContact CE1-O 2.61Å; H39-D136 VanDerWaalsContact NE2-C 3.34Å; H39-G137 WeakPolarHBondContact CE1-CA 3.49Å; H39-G137 PolarHBondContact CE1-N 3.27Å; H39-G137 PolarHBondContact CE1-O 3Å; H39-G137 PolarHBondContact ND1-O 2.72Å; H39-G137 VanDerWaalsContact ND1-O 3.11Å; H39-G137 WeakPolarHBondContact NE2-CA 3.43Å; H39-G137 PolarHBondContact NE2-N 3.08Å
40R52.9Low71.2Confident163 Ų16372 Ų7262%0.61544%0.435SS*.THydrogen-bonded Turntrans-92.6-21.2-171.6-66.6-172.4-172.7-143.66.7114.1P52 D56R40-P52 HydrophobicContact CG-CB 4.39Å; R40-D56 IonicContact CZ-OD1 3.61Å; R40-D56 IonicContact CZ-OD2 3.85Å; R40-D56 VanDerWaalsContact CZ-OD2 3.27Å; R40-D56 IonicContact NE-OD1 3.58Å; R40-D56 IonicContact NE-OD2 3.27Å; R40-D56 IonicContact NH2-OD1 2.82Å; R40-D56 PolarHBondContact NH2-OD1 3.25Å; R40-D56 IonicContact NH2-OD2 3.67Å; R40-D56 PolarHBondContact NH2-OD2 3.01Å
41G47Very low71.1Confident53 Ų5369.8 Ų69.855%0.54642%0.421SS..SBendtrans-104.5-7-169.200000114.8G37G37-G41 CarbonylContact O-C 3.52Å; G37-G41 WeakPolarHBondContact O-CA 3.11Å; G37-G41 PolarHBondContact O-N 2.81Å
42N49.7Very low70.9Confident110 Ų11069.1 Ų69.159%0.58841%0.409SS*.SBendtrans-84.3125163.8-99.92.7000109I44N42-I44 PolarHBondContact O-N 2.69Å
43S52.1Low70.8Confident131 Ų13171.6 Ų71.692%0.91643%0.428SS*.SBendtrans-63-1.6179.2-57.70000114.8
44I60.9Low70.9Confident143 Ų14368.4 Ų68.473%0.73341%0.414SS*.SBendtrans-133.4111.2179-55.9176.2000107.7N42N42-I44 PolarHBondContact O-N 2.69Å
45A72.8Confident71.3Confident28 Ų2861.2 Ų61.223%0.23138%0.381CS..  trans-62.9139.8173.100000110Y47 T48 W51A45-Y47 VanDerWaalsContact C-N 3.35Å; A45-Y47 PolarHBondContact O-N 2.75Å; A45-T48 WeakPolarHBondContact CB-O 3.46Å; A45-W51 HydrophobicContact CB-CB 4.33Å
46P79.7Confident72.6Confident50 Ų5061.1 Ų61.133%0.32537%0.37SS..SBendtrans-70.8-26.1-166.126.3-35000114.5W51 K138P46-W51 VanDerWaalsContact CD-CD1 3.49Å; P46-W51 HydrophobicContact CG-CG 3.91Å; P46-K138 HydrophobicContact CB-CG 4.29Å; P46-K138 HydrophobicContact CG-CG 4.5Å
47Y88.2Confident74.6Confident31 Ų3162.8 Ų62.812%0.12236%0.364CS..SBendtrans-133.2-54.3-170.1-51.1-52.2000112.6A45 W51 K138 V139 V216 L222A45-Y47 VanDerWaalsContact C-N 3.35Å; A45-Y47 PolarHBondContact O-N 2.75Å; Y47-W51 AromaticContact CD2-CD2 3.54Å; Y47-W51 HydrophobicContact CD2-CD2 3.54Å; Y47-W51 AromaticContact CD2-CE2 3.52Å; Y47-W51 AromaticContact CD2-CE3 3.73Å; Y47-W51 HydrophobicContact CD2-CE3 3.73Å; Y47-W51 HydrophobicContact CD2-CG 4.13Å; Y47-W51 AromaticContact CD2-CH2 3.89Å; Y47-W51 HydrophobicContact CD2-CH2 3.89Å; Y47-W51 AromaticContact CD2-CZ2 3.72Å; Y47-W51 HydrophobicContact CD2-CZ2 3.72Å; Y47-W51 AromaticContact CD2-CZ3 3.89Å; Y47-W51 HydrophobicContact CD2-CZ3 3.89Å; Y47-W51 HydrophobicContact CE2-CD2 4.24Å; Y47-W51 AromaticContact CE2-CE2 3.72Å; Y47-W51 HydrophobicContact CE2-CH2 4.04Å; Y47-W51 AromaticContact CE2-CZ2 3.63Å; Y47-W51 HydrophobicContact CE2-CZ2 3.63Å; Y47-W51 HydrophobicContact CE2-CZ3 4.5Å; Y47-K138 VanDerWaalsContact OH-CB 3.31Å; Y47-K138 WeakPolarHBondContact OH-CB 3.48Å; Y47-V139 HydrophobicContact CE2-CB 4.35Å; Y47-V139 HydrophobicContact CE2-CG2 3.83Å; Y47-V139 PolarHBondContact OH-N 2.81Å; Y47-V216 HydrophobicContact CD1-CG1 4Å; Y47-V216 HydrophobicContact CD1-CG2 4.45Å; Y47-V216 HydrophobicContact CE1-CB 4.08Å; Y47-V216 HydrophobicContact CE1-CG1 3.94Å; Y47-V216 HydrophobicContact CE1-CG2 3.62Å; Y47-L222 WeakPolarHBondContact CB-O 3.33Å; Y47-L222 HydrophobicContact CD1-CB 4.23Å; Y47-L222 HydrophobicContact CD1-CD1 3.96Å; Y47-L222 HydrophobicContact CD1-CG 4.15Å; Y47-L222 HydrophobicContact CD2-CB 4.08Å; Y47-L222 HydrophobicContact CD2-CD1 4.5Å; Y47-L222 HydrophobicContact CE1-CD1 3.91Å; Y47-L222 HydrophobicContact CE2-CD1 4.45Å; Y47-L222 HydrophobicContact CG-CB 3.8Å; Y47-L222 HydrophobicContact CG-CD1 4.27Å; Y47-L222 HydrophobicContact CG-CG 4.24Å
48T87.7Confident76.8Confident12 Ų1262.1 Ų62.17%0.07435%0.354CS..SBendtrans-131.7153.5175.661.10000109.4A45 D50 W51 L222A45-T48 WeakPolarHBondContact CB-O 3.46Å; T48-D50 WeakPolarHBondContact CB-OD1 3.29Å; T48-D50 PolarHBondContact O-N 3.4Å; T48-D50 VanDerWaalsContact O-N 3.16Å; T48-D50 PolarHBondContact OG1-OD1 3.38Å; T48-W51 WeakPolarHBondContact O-CB 3.46Å; T48-W51 PolarHBondContact O-N 3.48Å; T48-W51 PolarHBondContact OG1-N 2.66Å; T48-L222 WeakPolarHBondContact CG2-O 3.45Å
49E86.4Confident78.9Confident191 Ų19159.5 Ų59.589%0.89333%0.332SS*.THydrogen-bonded Turntrans-56.7-32.2-179.8-64.8-179.7179.100112.6
50D89.8Confident80.9Confident58 Ų5862.4 Ų62.431%0.3135%0.348SS..THydrogen-bonded Turntrans-90.42.9178.766.7-37.1000114.3T48 P52 S53 T54 R233T48-D50 WeakPolarHBondContact CB-OD1 3.29Å; T48-D50 PolarHBondContact O-N 3.4Å; T48-D50 VanDerWaalsContact O-N 3.16Å; T48-D50 PolarHBondContact OG1-OD1 3.38Å; D50-P52 VanDerWaalsContact C-N 3.3Å; D50-P52 VanDerWaalsContact O-N 3.15Å; D50-S53 WeakPolarHBondContact O-CA 3.44Å; D50-S53 WeakPolarHBondContact O-CB 3.18Å; D50-S53 PolarHBondContact O-N 2.89Å; D50-T54 PolarHBondContact O-N 3.01Å; D50-T54 PolarHBondContact O-OG1 3.01Å; D50-R233 IonicContact OD1-CZ 3.7Å; D50-R233 IonicContact OD1-NH1 2.82Å; D50-R233 PolarHBondContact OD1-NH1 2.77Å; D50-R233 IonicContact OD1-NH2 3.8Å; D50-R233 PolarHBondContact OD1-NH2 3.41Å; D50-R233 IonicContact OD2-CZ 3.42Å; D50-R233 IonicContact OD2-NH1 2.72Å; D50-R233 PolarHBondContact OD2-NH1 3.37Å; D50-R233 IonicContact OD2-NH2 3.27Å; D50-R233 PolarHBondContact OD2-NH2 2.97Å
51W91.9Very high82.9Confident0 Ų057 Ų570%034%0.336CS..Hα-helixtrans-49.2-41.6-178.5179.4-102.3000114.2A45 P46 Y47 T48 S53 T54 V55 V133 G137 V139 L224A45-W51 HydrophobicContact CB-CB 4.33Å; P46-W51 VanDerWaalsContact CD-CD1 3.49Å; P46-W51 HydrophobicContact CG-CG 3.91Å; Y47-W51 AromaticContact CD2-CD2 3.54Å; Y47-W51 HydrophobicContact CD2-CD2 3.54Å; Y47-W51 AromaticContact CD2-CE2 3.52Å; Y47-W51 AromaticContact CD2-CE3 3.73Å; Y47-W51 HydrophobicContact CD2-CE3 3.73Å; Y47-W51 HydrophobicContact CD2-CG 4.13Å; Y47-W51 AromaticContact CD2-CH2 3.89Å; Y47-W51 HydrophobicContact CD2-CH2 3.89Å; Y47-W51 AromaticContact CD2-CZ2 3.72Å; Y47-W51 HydrophobicContact CD2-CZ2 3.72Å; Y47-W51 AromaticContact CD2-CZ3 3.89Å; Y47-W51 HydrophobicContact CD2-CZ3 3.89Å; Y47-W51 HydrophobicContact CE2-CD2 4.24Å; Y47-W51 AromaticContact CE2-CE2 3.72Å; Y47-W51 HydrophobicContact CE2-CH2 4.04Å; Y47-W51 AromaticContact CE2-CZ2 3.63Å; Y47-W51 HydrophobicContact CE2-CZ2 3.63Å; Y47-W51 HydrophobicContact CE2-CZ3 4.5Å; T48-W51 WeakPolarHBondContact O-CB 3.46Å; T48-W51 PolarHBondContact O-N 3.48Å; T48-W51 PolarHBondContact OG1-N 2.66Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 3.21Å; W51-T54 HydrophobicContact CE3-CG2 4.25Å; W51-T54 HydrophobicContact CZ3-CG2 4.32Å; W51-T54 WeakPolarHBondContact O-CB 3.46Å; W51-T54 PolarHBondContact O-N 2.79Å; W51-T54 VanDerWaalsContact O-N 3.12Å; W51-V55 HydrophobicContact CD2-CG2 4.01Å; W51-V55 VanDerWaalsContact CE2-CG2 3.41Å; W51-V55 HydrophobicContact CG-CG2 4.35Å; W51-V55 HydrophobicContact CH2-CG2 4.47Å; W51-V55 HydrophobicContact CZ2-CG2 3.69Å; W51-V55 WeakPolarHBondContact O-CG2 3.46Å; W51-V55 PolarHBondContact O-N 2.65Å; W51-V133 HydrophobicContact CH2-CG2 4.37Å; W51-V133 HydrophobicContact CZ2-CG2 4.15Å; W51-G137 PolarHBondContact NE1-O 3.28Å; W51-V139 HydrophobicContact CH2-CG2 3.8Å; W51-V139 HydrophobicContact CZ2-CG2 4.15Å; W51-L224 HydrophobicContact CH2-CD1 4.33Å; W51-L224 HydrophobicContact CH2-CD2 4.17Å; W51-L224 HydrophobicContact CH2-CG 4.05Å; W51-L224 HydrophobicContact CZ3-CD2 4.5Å; W51-L224 HydrophobicContact CZ3-CG 4.07Å
52P90.6Very high85.3Confident27 Ų2754.6 Ų54.618%0.17531%0.31CS..Hα-helixtrans-56.9-44.2176.1-25.235.9000112.6H39 R40 D50 V55 D56H39-P52 WeakPolarHBondContact O-CG 3.38Å; R40-P52 HydrophobicContact CG-CB 4.39Å; D50-P52 VanDerWaalsContact C-N 3.3Å; D50-P52 VanDerWaalsContact O-N 3.15Å; P52-V55 PolarHBondContact O-N 2.86Å; P52-D56 VanDerWaalsContact O-CG 3.23Å; P52-D56 PolarHBondContact O-N 3.48Å
53S90.7Very high87.5Confident65 Ų6552.9 Ų52.946%0.45530%0.295SS..Hα-helixtrans-68.4-36175.9-53.40000111.9D50 W51 V55 D56 N57D50-S53 WeakPolarHBondContact O-CA 3.44Å; D50-S53 WeakPolarHBondContact O-CB 3.18Å; D50-S53 PolarHBondContact O-N 2.89Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 3.21Å; S53-V55 VanDerWaalsContact C-N 3.33Å; S53-D56 PolarHBondContact O-N 3.23Å; S53-N57 WeakPolarHBondContact O-CB 3.39Å; S53-N57 VanDerWaalsContact O-CG 3.23Å; S53-N57 PolarHBondContact O-N 2.99Å; S53-N57 PolarHBondContact O-ND2 2.86Å; S53-N57 VanDerWaalsContact O-ND2 3.11Å
54T92.8Very high89.7Confident14 Ų1454.5 Ų54.59%0.08629%0.286CS..Hα-helixtrans-59.9-44.3173.5-52.10000111.1D50 W51 W58 L224D50-T54 PolarHBondContact O-N 3.01Å; D50-T54 PolarHBondContact O-OG1 3.01Å; W51-T54 HydrophobicContact CE3-CG2 4.25Å; W51-T54 HydrophobicContact CZ3-CG2 4.32Å; W51-T54 WeakPolarHBondContact O-CB 3.46Å; W51-T54 PolarHBondContact O-N 2.79Å; W51-T54 VanDerWaalsContact O-N 3.12Å; T54-W58 WeakPolarHBondContact O-CB 3.34Å; T54-W58 PolarHBondContact O-N 3.34Å; T54-L224 HydrophobicContact CG2-CB 3.83Å; T54-L224 HydrophobicContact CG2-CD1 4.16Å; T54-L224 HydrophobicContact CG2-CG 3.94Å
55V93.5Very high91.3Very high2 Ų253 Ų531%0.01227%0.271CS..Hα-helixtrans-66.9-45.7176.3174.20000110.9W51 P52 S53 N57 W58 I59 V133W51-V55 HydrophobicContact CD2-CG2 4.01Å; W51-V55 VanDerWaalsContact CE2-CG2 3.41Å; W51-V55 HydrophobicContact CG-CG2 4.35Å; W51-V55 HydrophobicContact CH2-CG2 4.47Å; W51-V55 HydrophobicContact CZ2-CG2 3.69Å; W51-V55 WeakPolarHBondContact O-CG2 3.46Å; W51-V55 PolarHBondContact O-N 2.65Å; P52-V55 PolarHBondContact O-N 2.86Å; S53-V55 VanDerWaalsContact C-N 3.33Å; V55-N57 VanDerWaalsContact C-N 3.33Å; V55-N57 PolarHBondContact O-N 3.05Å; V55-W58 HydrophobicContact CG1-CE3 4.44Å; V55-W58 WeakPolarHBondContact O-CB 3.38Å; V55-W58 PolarHBondContact O-N 3.45Å; V55-W58 VanDerWaalsContact O-N 3.1Å; V55-I59 HydrophobicContact CG1-CD1 4.02Å; V55-I59 HydrophobicContact CG1-CG1 4.32Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 3.09Å; V55-V133 HydrophobicContact CG1-CG1 4.25Å; V55-V133 HydrophobicContact CG2-CG1 4.4Å; V55-V133 HydrophobicContact CG2-CG2 4.44Å
56D92.6Very high92.4Very high41 Ų4153 Ų5322%0.21927%0.265CS..Hα-helixtrans-55.1-48.9176.8-68.4-34.9000111.3R40 P52 S53 W58 I59 D60R40-D56 IonicContact CZ-OD1 3.61Å; R40-D56 IonicContact CZ-OD2 3.85Å; R40-D56 VanDerWaalsContact CZ-OD2 3.27Å; R40-D56 IonicContact NE-OD1 3.58Å; R40-D56 IonicContact NE-OD2 3.27Å; R40-D56 IonicContact NH2-OD1 2.82Å; R40-D56 PolarHBondContact NH2-OD1 3.25Å; R40-D56 IonicContact NH2-OD2 3.67Å; R40-D56 PolarHBondContact NH2-OD2 3.01Å; P52-D56 VanDerWaalsContact O-CG 3.23Å; P52-D56 PolarHBondContact O-N 3.48Å; S53-D56 PolarHBondContact O-N 3.23Å; D56-W58 VanDerWaalsContact C-N 3.3Å; D56-W58 PolarHBondContact O-N 2.98Å; D56-I59 PolarHBondContact O-N 2.87Å; D56-D60 PolarHBondContact O-N 2.86Å
57N93.7Very high93.2Very high99 Ų9955.9 Ų55.953%0.52928%0.278SS..Hα-helixtrans-63.2-35.2177.9-72.1-32.9000112.9S53 V55 S61S53-N57 WeakPolarHBondContact O-CB 3.39Å; S53-N57 VanDerWaalsContact O-CG 3.23Å; S53-N57 PolarHBondContact O-N 2.99Å; S53-N57 PolarHBondContact O-ND2 2.86Å; S53-N57 VanDerWaalsContact O-ND2 3.11Å; V55-N57 VanDerWaalsContact C-N 3.33Å; V55-N57 PolarHBondContact O-N 3.05Å; N57-S61 VanDerWaalsContact O-CB 3.28Å; N57-S61 WeakPolarHBondContact O-CB 3.47Å; N57-S61 PolarHBondContact O-N 2.97Å; N57-S61 PolarHBondContact O-OG 3.11Å
58W95.3Very high93.5Very high10 Ų1058 Ų584%0.03829%0.291CS..Hα-helixtrans-67.8-40.3174.4168.182.6000112.3L29 L32 T54 V55 D56 S61 S62 V133 L224 G228L29-W58 HydrophobicContact CD2-CE3 4.48Å; L29-W58 HydrophobicContact CD2-CH2 3.83Å; L29-W58 HydrophobicContact CD2-CZ3 3.77Å; L32-W58 HydrophobicContact CD1-CH2 4.31Å; L32-W58 HydrophobicContact CD1-CZ3 3.71Å; T54-W58 WeakPolarHBondContact O-CB 3.34Å; T54-W58 PolarHBondContact O-N 3.34Å; V55-W58 HydrophobicContact CG1-CE3 4.44Å; V55-W58 WeakPolarHBondContact O-CB 3.38Å; V55-W58 PolarHBondContact O-N 3.45Å; V55-W58 VanDerWaalsContact O-N 3.1Å; D56-W58 VanDerWaalsContact C-N 3.3Å; D56-W58 PolarHBondContact O-N 2.98Å; W58-S61 PolarHBondContact O-N 2.97Å; W58-S62 VanDerWaalsContact O-CB 3.31Å; W58-S62 WeakPolarHBondContact O-CB 3.29Å; W58-S62 PolarHBondContact O-N 2.89Å; W58-S62 PolarHBondContact O-OG 2.79Å; W58-V133 HydrophobicContact CD2-CG2 4.24Å; W58-V133 HydrophobicContact CE3-CB 4.22Å; W58-V133 HydrophobicContact CE3-CG2 4.13Å; W58-V133 HydrophobicContact CH2-CB 3.73Å; W58-V133 HydrophobicContact CH2-CG1 4.47Å; W58-V133 HydrophobicContact CH2-CG2 4.31Å; W58-V133 HydrophobicContact CZ2-CB 4.12Å; W58-V133 HydrophobicContact CZ2-CG2 4.34Å; W58-V133 HydrophobicContact CZ3-CB 3.79Å; W58-V133 HydrophobicContact CZ3-CG1 4.13Å; W58-V133 HydrophobicContact CZ3-CG2 4.21Å; W58-L224 HydrophobicContact CB-CD1 3.43Å; W58-L224 VanDerWaalsContact CB-CD1 3.43Å; W58-L224 HydrophobicContact CD2-CD1 4.2Å; W58-L224 HydrophobicContact CG-CD1 3.5Å; W58-G228 PolarHBondContact NE1-O 3.43Å
59I95.2Very high93.7Very high3 Ų357.9 Ų57.92%0.01529%0.29CS..Hα-helixtrans-62.7-51175.8-61.5164.6000109.5L29 L32 E33 V55 D56 S61 S62 W63L29-I59 HydrophobicContact CB-CG2 4.36Å; L29-I59 HydrophobicContact CD2-CG1 4.47Å; L29-I59 HydrophobicContact CD2-CG2 4.31Å; L32-I59 HydrophobicContact CB-CD1 3.63Å; L32-I59 HydrophobicContact CB-CG1 4.38Å; E33-I59 HydrophobicContact CG-CD1 4.23Å; E33-I59 HydrophobicContact CG-CG2 3.45Å; E33-I59 VanDerWaalsContact CG-CG2 3.45Å; E33-I59 WeakPolarHBondContact OE1-CG2 3.47Å; V55-I59 HydrophobicContact CG1-CD1 4.02Å; V55-I59 HydrophobicContact CG1-CG1 4.32Å; V55-I59 WeakPolarHBondContact O-CG1 3.41Å; V55-I59 PolarHBondContact O-N 3.09Å; D56-I59 PolarHBondContact O-N 2.87Å; I59-S61 PolarHBondContact O-N 3.46Å; I59-S62 WeakPolarHBondContact O-CB 3.27Å; I59-S62 PolarHBondContact O-N 2.83Å; I59-S62 VanDerWaalsContact O-N 3.08Å; I59-W63 PolarHBondContact O-N 3.36Å
60D95.4Very high94.1Very high79 Ų7949.3 Ų49.342%0.42225%0.25SS..Hα-helixtrans-54.8-42.8176.9-84.51.3000112D56 K64D56-D60 PolarHBondContact O-N 2.86Å; D60-K64 WeakPolarHBondContact O-CD 3.12Å; D60-K64 VanDerWaalsContact O-CG 3.27Å; D60-K64 WeakPolarHBondContact O-CG 3.49Å; D60-K64 PolarHBondContact O-N 3.03Å; D60-K64 VanDerWaalsContact O-N 3.09Å
61S96Very high94.2Very high51 Ų5152.3 Ų52.336%0.35726%0.257SS..Hα-helixtrans-70.7-37.9178.9-60.20000112.1N57 W58 I59 W63 K64 R65N57-S61 VanDerWaalsContact O-CB 3.28Å; N57-S61 WeakPolarHBondContact O-CB 3.47Å; N57-S61 PolarHBondContact O-N 2.97Å; N57-S61 PolarHBondContact O-OG 3.11Å; W58-S61 PolarHBondContact O-N 2.97Å; I59-S61 PolarHBondContact O-N 3.46Å; S61-W63 VanDerWaalsContact C-N 3.31Å; S61-W63 PolarHBondContact O-N 3.09Å; S61-K64 PolarHBondContact O-N 3.42Å; S61-R65 WeakPolarHBondContact O-CB 3.38Å; S61-R65 WeakPolarHBondContact O-CG 3.43Å; S61-R65 PolarHBondContact O-N 3.06Å
62S96Very high94.1Very high2 Ų255 Ų551%0.01427%0.267CS..Hα-helixtrans-62.7-38.9176.8-62.30000111.3W58 I59 R65 W66 D69W58-S62 VanDerWaalsContact O-CB 3.31Å; W58-S62 WeakPolarHBondContact O-CB 3.29Å; W58-S62 PolarHBondContact O-N 2.89Å; W58-S62 PolarHBondContact O-OG 2.79Å; I59-S62 WeakPolarHBondContact O-CB 3.27Å; I59-S62 PolarHBondContact O-N 2.83Å; I59-S62 VanDerWaalsContact O-N 3.08Å; S62-R65 CarbonylContact O-C 3.59Å; S62-W66 VanDerWaalsContact O-CA 3.25Å; S62-W66 WeakPolarHBondContact O-CA 3.34Å; S62-W66 PolarHBondContact O-N 3.02Å; S62-W66 VanDerWaalsContact O-N 3.07Å; S62-D69 WeakPolarHBondContact CA-OD2 3.45Å
63W97Very high94.2Very high73 Ų7354 Ų5428%0.27726%0.26SS..Hα-helixtrans-68.3-45.2173.4-75.5126.6000112.6R26 L29 T30 E33 I59 S61 R65 W66R26-W63 HydrophobicContact CB-CH2 4.07Å; R26-W63 HydrophobicContact CG-CH2 3.93Å; R26-W63 HydrophobicContact CG-CZ3 4.11Å; L29-W63 HydrophobicContact CB-CH2 4.34Å; L29-W63 HydrophobicContact CB-CZ2 3.56Å; L29-W63 HydrophobicContact CD1-CD2 3.91Å; L29-W63 HydrophobicContact CD1-CE3 4.2Å; L29-W63 HydrophobicContact CD1-CG 4.42Å; L29-W63 HydrophobicContact CD1-CH2 4.29Å; L29-W63 HydrophobicContact CD1-CZ2 4.01Å; L29-W63 HydrophobicContact CD1-CZ3 4.38Å; L29-W63 HydrophobicContact CG-CZ2 4.45Å; T30-W63 HydrophobicContact CG2-CH2 4.35Å; T30-W63 HydrophobicContact CG2-CZ2 3.84Å; E33-W63 PolarHBondContact OE1-NE1 3.02Å; I59-W63 PolarHBondContact O-N 3.36Å; S61-W63 VanDerWaalsContact C-N 3.31Å; S61-W63 PolarHBondContact O-N 3.09Å; W63-R65 VanDerWaalsContact C-N 3.26Å; W63-R65 PolarHBondContact O-N 2.99Å; W63-W66 HydrophobicContact CE3-CE3 4.01Å; W63-W66 HydrophobicContact CE3-CZ3 4.46Å; W63-W66 AromaticContact CZ3-CE3 3.95Å; W63-W66 HydrophobicContact CZ3-CE3 3.95Å; W63-W66 HydrophobicContact CZ3-CZ3 4.04Å; W63-W66 PolarHBondContact O-N 2.95Å
64K97.2Very high94.2Very high166 Ų16656 Ų5672%0.72226%0.258SS*.Hα-helixtrans-63.5-32.9178.8-73.2167.3-172.21630112.6D60 S61D60-K64 WeakPolarHBondContact O-CD 3.12Å; D60-K64 VanDerWaalsContact O-CG 3.27Å; D60-K64 WeakPolarHBondContact O-CG 3.49Å; D60-K64 PolarHBondContact O-N 3.03Å; D60-K64 VanDerWaalsContact O-N 3.09Å; S61-K64 PolarHBondContact O-N 3.42Å
65R95.7Very high94Very high112 Ų11260.9 Ų60.942%0.42328%0.275SS..THydrogen-bonded Turntrans-109.525.6-176.8-56.7-177.273.31713.5112.6S61 S62 W63 D67 D68 D69S61-R65 WeakPolarHBondContact O-CB 3.38Å; S61-R65 WeakPolarHBondContact O-CG 3.43Å; S61-R65 PolarHBondContact O-N 3.06Å; S62-R65 CarbonylContact O-C 3.59Å; W63-R65 VanDerWaalsContact C-N 3.26Å; W63-R65 PolarHBondContact O-N 2.99Å; R65-D67 VanDerWaalsContact C-N 3.33Å; R65-D67 PolarHBondContact O-N 3.38Å; R65-D68 PolarHBondContact O-N 2.86Å; R65-D69 PolarHBondContact O-N 3.02Å
66W96Very high93.8Very high28 Ų2862.3 Ų62.311%0.10629%0.29CS..Hα-helixtrans-47.1-51.4-172.2177.1-99000113.6E22 R25 R26 L29 S62 W63 D68 D69 M70E22-W66 HydrophobicContact CB-CZ2 4.39Å; E22-W66 HydrophobicContact CG-CZ2 3.77Å; E22-W66 PolarHBondContact OE1-NE1 3.1Å; R25-W66 HydrophobicContact CB-CH2 3.86Å; R25-W66 HydrophobicContact CB-CZ3 4.38Å; R25-W66 HydrophobicContact CG-CH2 3.71Å; R25-W66 HydrophobicContact CG-CZ3 3.75Å; R26-W66 HydrophobicContact CB-CH2 4.49Å; R26-W66 HydrophobicContact CG-CH2 3.47Å; R26-W66 VanDerWaalsContact CG-CH2 3.47Å; R26-W66 HydrophobicContact CG-CZ2 3.91Å; R26-W66 HydrophobicContact CG-CZ3 4.07Å; L29-W66 HydrophobicContact CD1-CE3 4.25Å; L29-W66 HydrophobicContact CD1-CZ3 3.89Å; S62-W66 VanDerWaalsContact O-CA 3.25Å; S62-W66 WeakPolarHBondContact O-CA 3.34Å; S62-W66 PolarHBondContact O-N 3.02Å; S62-W66 VanDerWaalsContact O-N 3.07Å; W63-W66 HydrophobicContact CE3-CE3 4.01Å; W63-W66 HydrophobicContact CE3-CZ3 4.46Å; W63-W66 AromaticContact CZ3-CE3 3.95Å; W63-W66 HydrophobicContact CZ3-CE3 3.95Å; W63-W66 HydrophobicContact CZ3-CZ3 4.04Å; W63-W66 PolarHBondContact O-N 2.95Å; W66-D68 VanDerWaalsContact C-N 3.35Å; W66-D68 PolarHBondContact O-N 2.89Å; W66-D69 PolarHBondContact O-N 2.85Å; W66-M70 HydrophobicContact CD2-CG 4.03Å; W66-M70 HydrophobicContact CH2-CG 4.12Å; W66-M70 HydrophobicContact CH2-SD 3.89Å; W66-M70 HydrophobicContact CZ2-CG 3.56Å; W66-M70 HydrophobicContact CZ2-SD 3.78Å; W66-M70 WeakPolarHBondContact O-CB 3.41Å; W66-M70 WeakPolarHBondContact O-CG 3.36Å; W66-M70 PolarHBondContact O-N 3.26Å
67D96.3Very high93.8Very high110 Ų11060.9 Ų60.959%0.58828%0.282SS*.Hα-helixtrans-65.6-37.9-177-69.1-25.9000112.6R65 R71R65-D67 VanDerWaalsContact C-N 3.33Å; R65-D67 PolarHBondContact O-N 3.38Å; D67-R71 WeakPolarHBondContact O-CB 3.31Å; D67-R71 PolarHBondContact O-N 2.98Å
68D93.8Very high93.8Very high74 Ų7456.2 Ų56.240%0.39626%0.258SS..Hα-helixtrans-70.1-42.7178.3-72.2-17.8000111R65 W66 R71 R72R65-D68 PolarHBondContact O-N 2.86Å; W66-D68 VanDerWaalsContact C-N 3.35Å; W66-D68 PolarHBondContact O-N 2.89Å; D68-R71 PolarHBondContact O-N 2.97Å; D68-R71 IonicContact OD1-CZ 3.16Å; D68-R71 IonicContact OD1-NH1 3.99Å; D68-R71 PolarHBondContact OD1-NH1 3.01Å; D68-R72 WeakPolarHBondContact O-CB 3.43Å; D68-R72 PolarHBondContact O-N 3.19Å
69D93Very high93.7Very high10 Ų1056.7 Ų56.75%0.05326%0.264CS..Hα-helixtrans-65.3-47177.7-83.2-4.3000111.5S62 R65 W66 R71 R72 L73S62-D69 WeakPolarHBondContact CA-OD2 3.45Å; R65-D69 PolarHBondContact O-N 3.02Å; W66-D69 PolarHBondContact O-N 2.85Å; D69-R71 VanDerWaalsContact C-N 3.3Å; D69-R71 PolarHBondContact O-N 3.2Å; D69-R72 WeakPolarHBondContact O-CB 3.37Å; D69-R72 PolarHBondContact O-N 2.84Å; D69-R72 IonicContact OD1-CZ 3.01Å; D69-R72 IonicContact OD1-NH1 3.05Å; D69-R72 PolarHBondContact OD1-NH1 3.4Å; D69-R72 IonicContact OD1-NH2 2.74Å; D69-R72 PolarHBondContact OD1-NH2 3.11Å; D69-L73 WeakPolarHBondContact O-CB 3.49Å; D69-L73 VanDerWaalsContact O-CG 3.28Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 2.95Å
70M94.2Very high93.4Very high12 Ų1257.4 Ų57.46%0.05927%0.267CS..Hα-helixtrans-62.8-38.6176.1-73.9-57.6-60.100111.7F21 E22 R25 W66 R74F21-M70 HydrophobicContact CD1-CE 3.57Å; F21-M70 HydrophobicContact CE1-CE 3.58Å; F21-M70 HydrophobicContact CE1-SD 4.32Å; E22-M70 HydrophobicContact CB-CE 4Å; R25-M70 HydrophobicContact CB-SD 4.16Å; R25-M70 HydrophobicContact CG-SD 3.98Å; W66-M70 HydrophobicContact CD2-CG 4.03Å; W66-M70 HydrophobicContact CH2-CG 4.12Å; W66-M70 HydrophobicContact CH2-SD 3.89Å; W66-M70 HydrophobicContact CZ2-CG 3.56Å; W66-M70 HydrophobicContact CZ2-SD 3.78Å; W66-M70 WeakPolarHBondContact O-CB 3.41Å; W66-M70 WeakPolarHBondContact O-CG 3.36Å; W66-M70 PolarHBondContact O-N 3.26Å; M70-R74 WeakPolarHBondContact O-CB 3.49Å; M70-R74 WeakPolarHBondContact O-CG 2.83Å; M70-R74 PolarHBondContact O-N 2.89Å
71R92.1Very high93.1Very high120 Ų12054 Ų5445%0.45325%0.249SC..Hα-helixtrans-66.5-41175.6-167.6-175.7-54.3116.55.5111.6D67 D68 D69 R75D67-R71 WeakPolarHBondContact O-CB 3.31Å; D67-R71 PolarHBondContact O-N 2.98Å; D68-R71 PolarHBondContact O-N 2.97Å; D68-R71 IonicContact OD1-CZ 3.16Å; D68-R71 IonicContact OD1-NH1 3.99Å; D68-R71 PolarHBondContact OD1-NH1 3.01Å; D69-R71 VanDerWaalsContact C-N 3.3Å; D69-R71 PolarHBondContact O-N 3.2Å; R71-R75 WeakPolarHBondContact O-CB 3.14Å; R71-R75 VanDerWaalsContact O-CG 3.27Å; R71-R75 WeakPolarHBondContact O-CG 3.43Å; R71-R75 PolarHBondContact O-N 3.11Å
72R89.3Confident92.6Very high57 Ų5753.8 Ų53.822%0.21525%0.246CC..Hα-helixtrans-60.2-52.9174.9-174.8178.676.5-134.3-1110.4D68 D69 R74 R75 G76 D129 S227D68-R72 WeakPolarHBondContact O-CB 3.43Å; D68-R72 PolarHBondContact O-N 3.19Å; D69-R72 WeakPolarHBondContact O-CB 3.37Å; D69-R72 PolarHBondContact O-N 2.84Å; D69-R72 IonicContact OD1-CZ 3.01Å; D69-R72 IonicContact OD1-NH1 3.05Å; D69-R72 PolarHBondContact OD1-NH1 3.4Å; D69-R72 IonicContact OD1-NH2 2.74Å; D69-R72 PolarHBondContact OD1-NH2 3.11Å; R72-R74 PolarHBondContact O-N 3.37Å; R72-R75 PolarHBondContact O-N 3.27Å; R72-G76 PolarHBondContact O-N 2.69Å; R72-D129 IonicContact NE-OD1 2.89Å; R72-D129 PolarHBondContact NE-OD1 2.82Å; R72-S227 PolarHBondContact NH1-O 3.11Å
73L92.3Very high91.7Very high6 Ų656 Ų563%0.03126%0.258CS..Hα-helixtrans-60.3-41.8-179.9-68.7173.7000112.3F21 D69 G76 M77F21-L73 HydrophobicContact CE1-CB 4.1Å; F21-L73 HydrophobicContact CZ-CB 4.04Å; F21-L73 HydrophobicContact CZ-CD1 4.09Å; D69-L73 WeakPolarHBondContact O-CB 3.49Å; D69-L73 VanDerWaalsContact O-CG 3.28Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 2.95Å; L73-G76 PolarHBondContact O-N 3.27Å; L73-M77 WeakPolarHBondContact O-CG 3.43Å; L73-M77 PolarHBondContact O-N 2.83Å
74R91.6Very high90.4Very high107 Ų10757.3 Ų57.340%0.40427%0.27SS..Hα-helixtrans-66.9-39.4175.9-74.2-175.8-177-76.51.3112.8M70 R72 G76 M77 D205M70-R74 WeakPolarHBondContact O-CB 3.49Å; M70-R74 WeakPolarHBondContact O-CG 2.83Å; M70-R74 PolarHBondContact O-N 2.89Å; R72-R74 PolarHBondContact O-N 3.37Å; R74-G76 PolarHBondContact O-N 2.78Å; R74-M77 HydrophobicContact CB-CE 4.46Å; R74-M77 HydrophobicContact CG-CE 3.87Å; R74-M77 HydrophobicContact CG-SD 4.39Å; R74-M77 WeakPolarHBondContact O-CB 3Å; R74-M77 PolarHBondContact O-N 2.81Å; R74-D205 IonicContact NH2-OD2 2.95Å
75R87.9Confident88.7Confident116 Ų11652.3 Ų52.344%0.43825%0.254SS..Hα-helixtrans-67.5-26.2176.4-76.4178.2176.7-131.91.6112.9R71 R72 S119R71-R75 WeakPolarHBondContact O-CB 3.14Å; R71-R75 VanDerWaalsContact O-CG 3.27Å; R71-R75 WeakPolarHBondContact O-CG 3.43Å; R71-R75 PolarHBondContact O-N 3.11Å; R72-R75 PolarHBondContact O-N 3.27Å; R75-S119 VanDerWaalsContact O-CB 3.26Å; R75-S119 WeakPolarHBondContact O-CB 3.17Å; R75-S119 PolarHBondContact O-OG 3.31Å
76G89.4Confident86.7Confident33 Ų3348.2 Ų48.234%0.3424%0.239SC..THydrogen-bonded Turntrans-83.6-5.9176.200000114.6R72 L73 R74 F78R72-G76 PolarHBondContact O-N 2.69Å; L73-G76 PolarHBondContact O-N 3.27Å; R74-G76 PolarHBondContact O-N 2.78Å; G76-F78 PolarHBondContact O-N 3.31Å
77M93.7Very high84.5Confident10 Ų1051.9 Ų51.95%0.04927%0.265CS..PPolyproline II helixtrans-66.1133.9177-66177.6-178.100110.4F21 L73 R74 G121 R144 D146 V207F21-M77 HydrophobicContact CD1-CE 3.39Å; F21-M77 HydrophobicContact CE1-CE 3.32Å; F21-M77 HydrophobicContact CE2-CE 4.49Å; F21-M77 HydrophobicContact CG-CE 4.03Å; F21-M77 HydrophobicContact CZ-CE 3.93Å; L73-M77 WeakPolarHBondContact O-CG 3.43Å; L73-M77 PolarHBondContact O-N 2.83Å; R74-M77 HydrophobicContact CB-CE 4.46Å; R74-M77 HydrophobicContact CG-CE 3.87Å; R74-M77 HydrophobicContact CG-SD 4.39Å; R74-M77 WeakPolarHBondContact O-CB 3Å; R74-M77 PolarHBondContact O-N 2.81Å; M77-G121 PolarHBondContact O-N 3.26Å; M77-R144 WeakPolarHBondContact CA-O 3.47Å; M77-R144 HydrophobicContact CG-CB 3.86Å; M77-D146 HydrophobicContact CB-CB 4.44Å; M77-V207 HydrophobicContact CE-CB 4.41Å; M77-V207 HydrophobicContact CE-CG1 3.73Å; M77-V207 HydrophobicContact CE-CG2 3.74Å; M77-V207 HydrophobicContact SD-CG1 4.14Å; M77-V207 HydrophobicContact SD-CG2 3.97Å
78F93.5Very high82.2Confident2 Ų254.6 Ų54.61%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-74.9129.6174.5-71.5-65.2000111.4G76 T120 G121 V123 F126 V143 R144 F145 D146 R185 V187G76-F78 PolarHBondContact O-N 3.31Å; F78-T120 VanDerWaalsContact CA-O 3.28Å; F78-T120 WeakPolarHBondContact CA-O 3.14Å; F78-G121 WeakPolarHBondContact CD1-O 3.49Å; F78-V123 HydrophobicContact CE1-CG1 4.09Å; F78-F126 HydrophobicContact CE1-CB 4.26Å; F78-F126 HydrophobicContact CE2-CB 4.01Å; F78-F126 HydrophobicContact CE2-CD2 4.17Å; F78-F126 HydrophobicContact CE2-CG 4.04Å; F78-F126 HydrophobicContact CZ-CB 3.44Å; F78-F126 VanDerWaalsContact CZ-CB 3.44Å; F78-F126 AromaticContact CZ-CD1 3.84Å; F78-F126 HydrophobicContact CZ-CD1 3.84Å; F78-F126 HydrophobicContact CZ-CD2 4.11Å; F78-F126 AromaticContact CZ-CG 3.53Å; F78-F126 HydrophobicContact CZ-CG 3.53Å; F78-V143 HydrophobicContact CE2-CB 4.45Å; F78-R144 PolarHBondContact N-O 3.38Å; F78-F145 HydrophobicContact CB-CD1 3.51Å; F78-F145 HydrophobicContact CB-CE1 3.93Å; F78-F145 HydrophobicContact CB-CG 4.2Å; F78-F145 HydrophobicContact CD2-CD1 4.28Å; F78-F145 AromaticContact CD2-CE1 3.98Å; F78-F145 HydrophobicContact CD2-CE1 3.98Å; F78-F145 HydrophobicContact CD2-CZ 4.3Å; F78-F145 HydrophobicContact CG-CD1 4.3Å; F78-F145 HydrophobicContact CG-CE1 4.25Å; F78-F145 CarbonylContact O-C 3.48Å; F78-F145 WeakPolarHBondContact O-CA 3.35Å; F78-D146 PolarHBondContact O-N 2.87Å; F78-R185 HydrophobicContact CB-CG 4.06Å; F78-R185 HydrophobicContact CG-CG 4.42Å; F78-V187 HydrophobicContact CD2-CG2 3.87Å; F78-V187 HydrophobicContact CE2-CG1 4.33Å; F78-V187 HydrophobicContact CE2-CG2 3.55Å; F78-V187 HydrophobicContact CZ-CG2 3.96Å
79A91.3Very high79.7Confident20 Ų2054.5 Ų54.517%0.16529%0.29CS..EExtended strand (participates in β ladder)trans-78.2143.4168.900000110.5T120 R185A79-T120 HydrophobicContact CB-CG2 4.11Å; A79-T120 PolarHBondContact N-O 3.13Å; A79-R185 VanDerWaalsContact O-CD 3.3Å; A79-R185 WeakPolarHBondContact O-CD 3.42Å
80L90.8Very high77.4Confident17 Ų1758.5 Ų58.59%0.08931%0.311CS..PPolyproline II helixtrans-77127.1167.4-57.6-177.9000109.7F145 A147 F150 V166 A168 F183 R185L80-F145 HydrophobicContact CD2-CB 4.49Å; L80-F145 HydrophobicContact CD2-CD1 4.18Å; L80-A147 HydrophobicContact CD1-CB 4.37Å; L80-F150 HydrophobicContact CD1-CD2 4.26Å; L80-F150 HydrophobicContact CD1-CE2 4.04Å; L80-F150 HydrophobicContact CD1-CZ 4.48Å; L80-V166 HydrophobicContact CD1-CG1 4.46Å; L80-V166 HydrophobicContact CD2-CB 4.04Å; L80-V166 HydrophobicContact CD2-CG1 3.66Å; L80-A168 HydrophobicContact CD1-CB 3.77Å; L80-F183 HydrophobicContact CB-CB 3.77Å; L80-R185 HydrophobicContact CD2-CB 3.86Å
81L87.4Confident75.5Confident8 Ų865.5 Ų65.54%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-97.4138.3-175-61178000111.5L83 F86 M98 M101 T120 F183 C184L81-L83 PolarHBondContact O-N 2.79Å; L81-F86 HydrophobicContact CB-CE2 4.02Å; L81-F86 HydrophobicContact CB-CZ 4.24Å; L81-F86 HydrophobicContact CD1-CZ 4.24Å; L81-M98 HydrophobicContact CD1-CG 4.47Å; L81-M101 HydrophobicContact CB-CE 4.07Å; L81-M101 HydrophobicContact CD1-CB 4.39Å; L81-M101 HydrophobicContact CD1-CE 3.61Å; L81-M101 HydrophobicContact CD1-SD 3.81Å; L81-M101 HydrophobicContact CD2-CE 4.02Å; L81-M101 HydrophobicContact CG-CE 4.11Å; L81-T120 HydrophobicContact CD2-CG2 4.38Å; L81-F183 CarbonylContact O-C 3.44Å; L81-F183 WeakPolarHBondContact O-CA 3.42Å; L81-C184 PolarHBondContact N-O 3.45Å; L81-C184 PolarHBondContact O-N 2.89Å
82P85.4Confident74.1Confident46 Ų4666.8 Ų66.830%0.29936%0.359SS..EExtended strand (participates in β ladder)trans-57.8130.7176.9-23.233000113D84 T85 F86 F183P82-D84 VanDerWaalsContact C-N 3.34Å; P82-D84 WeakPolarHBondContact CB-OD1 3.41Å; P82-D84 PolarHBondContact O-N 2.81Å; P82-T85 WeakPolarHBondContact O-CB 3.36Å; P82-T85 PolarHBondContact O-N 2.94Å; P82-T85 VanDerWaalsContact O-N 3.08Å; P82-T85 PolarHBondContact O-OG1 3.41Å; P82-T85 VanDerWaalsContact O-OG1 3.05Å; P82-F86 WeakPolarHBondContact O-CD2 3.23Å; P82-F183 HydrophobicContact CB-CD1 4.4Å; P82-F183 HydrophobicContact CB-CE1 4.35Å; P82-F183 HydrophobicContact CG-CD1 4.05Å; P82-F183 HydrophobicContact CG-CE1 3.82Å
83L78.6Confident73.5Confident48 Ų4866 Ų6625%0.25136%0.358SS..G310 helixtrans-68.9-28-176.3-100.9155.5000114L81 T85 F86 H167 E182 C184L81-L83 PolarHBondContact O-N 2.79Å; L83-T85 PolarHBondContact O-N 3.36Å; L83-F86 HydrophobicContact CD2-CD2 4.29Å; L83-F86 WeakPolarHBondContact O-CA 3.33Å; L83-F86 WeakPolarHBondContact O-CB 3.47Å; L83-F86 PolarHBondContact O-N 2.75Å; L83-H167 VanDerWaalsContact CD1-CD2 3.42Å; L83-H167 WeakPolarHBondContact CD1-CD2 3.18Å; L83-H167 WeakPolarHBondContact CD1-NE2 3.41Å; L83-E182 HydrophobicContact CB-CB 4.02Å; L83-E182 HydrophobicContact CD1-CB 3.42Å; L83-E182 VanDerWaalsContact CD1-CB 3.42Å; L83-E182 HydrophobicContact CG-CB 4.33Å; L83-E182 PolarHBondContact N-O 2.96Å; L83-C184 HydrophobicContact CD1-CB 3.92Å; L83-C184 HydrophobicContact CD2-CB 4.12Å; L83-C184 HydrophobicContact CG-CB 3.77Å
84D70Confident72.9Confident101 Ų10166.5 Ų66.554%0.5436%0.362SS..G310 helixtrans-60.7-18.8170.456.6-14000112.7P82 F86 T87P82-D84 VanDerWaalsContact C-N 3.34Å; P82-D84 WeakPolarHBondContact CB-OD1 3.41Å; P82-D84 PolarHBondContact O-N 2.81Å; D84-F86 PolarHBondContact O-N 3.18Å; D84-T87 PolarHBondContact O-OG1 2.98Å
85T59.9Low72.4Confident61 Ų6162.6 Ų62.637%0.37435%0.348SS..G310 helixtrans-70.8-22.7170.3-43.50000112.1P82 L83 M101P82-T85 WeakPolarHBondContact O-CB 3.36Å; P82-T85 PolarHBondContact O-N 2.94Å; P82-T85 VanDerWaalsContact O-N 3.08Å; P82-T85 PolarHBondContact O-OG1 3.41Å; P82-T85 VanDerWaalsContact O-OG1 3.05Å; L83-T85 PolarHBondContact O-N 3.36Å; T85-M101 HydrophobicContact CG2-CE 3.42Å; T85-M101 VanDerWaalsContact CG2-CE 3.42Å; T85-M101 HydrophobicContact CG2-SD 3.68Å
86F54.7Low72Confident26 Ų2659.1 Ų59.111%0.11434%0.344CS..G310 helixtrans-90.1-9.4-179.3-59.9-103.1000113.6L81 P82 L83 D84 H88 L97 M98 M101L81-F86 HydrophobicContact CB-CE2 4.02Å; L81-F86 HydrophobicContact CB-CZ 4.24Å; L81-F86 HydrophobicContact CD1-CZ 4.24Å; P82-F86 WeakPolarHBondContact O-CD2 3.23Å; L83-F86 HydrophobicContact CD2-CD2 4.29Å; L83-F86 WeakPolarHBondContact O-CA 3.33Å; L83-F86 WeakPolarHBondContact O-CB 3.47Å; L83-F86 PolarHBondContact O-N 2.75Å; D84-F86 PolarHBondContact O-N 3.18Å; F86-H88 VanDerWaalsContact C-N 3.26Å; F86-H88 PolarHBondContact O-N 3.32Å; F86-L97 HydrophobicContact CB-CD2 4.05Å; F86-L97 HydrophobicContact CD1-CD2 3.3Å; F86-L97 HydrophobicContact CD1-CG 4.18Å; F86-L97 HydrophobicContact CE1-CD2 3.91Å; F86-L97 HydrophobicContact CE1-CG 4.32Å; F86-L97 HydrophobicContact CG-CD2 3.87Å; F86-M98 HydrophobicContact CE1-CE 3.72Å; F86-M98 HydrophobicContact CE1-CG 4.06Å; F86-M98 HydrophobicContact CZ-CE 3.75Å; F86-M98 HydrophobicContact CZ-CG 4.24Å; F86-M101 HydrophobicContact CZ-SD 4.29Å
87T49.8Very low71.6Confident106 Ų10658.7 Ų58.765%0.6533%0.334SS*.THydrogen-bonded Turntrans-77.8-6.4-174.358.30000114.1D84 G89D84-T87 PolarHBondContact O-OG1 2.98Å; T87-G89 PolarHBondContact O-N 2.63Å
88H47.8Very low71.1Confident166 Ų16658.2 Ų58.277%0.76933%0.332SS*.THydrogen-bonded Turntrans-90.876.2173.8-68.384.2000111.1F86 I90F86-H88 VanDerWaalsContact C-N 3.26Å; F86-H88 PolarHBondContact O-N 3.32Å; H88-I90 PolarHBondContact O-N 3.39Å
89G41.1Very low70.5Confident73 Ų7359.8 Ų59.875%0.75334%0.339SS*.THydrogen-bonded Turntrans84.60.9145.800000120.6T87T87-G89 PolarHBondContact O-N 2.63Å
90I45.5Very low70Confident93 Ų9364.2 Ų64.248%0.47736%0.356SS..  trans-142.182.6179.3-49.6177000110.8H88 E92H88-I90 PolarHBondContact O-N 3.39Å; I90-E92 VanDerWaalsContact C-N 3.26Å; I90-E92 HydrophobicContact CG2-CB 4.43Å
91L53.3Low69.6Low160 Ų16064.6 Ų64.684%0.83836%0.358SS*.  trans-85.6-3.4163.7-135.4129000111.9N93L91-N93 VanDerWaalsContact C-N 3.34Å; L91-N93 PolarHBondContact O-N 3.19Å
92E63Low69.3Low146 Ų14664.8 Ų64.868%0.68236%0.359SS*.SBendtrans-68.9-29.2-177.8-67.5-168.4162.400112.8I90 I352I90-E92 VanDerWaalsContact C-N 3.26Å; I90-E92 HydrophobicContact CG2-CB 4.43Å; E92-I352 WeakPolarHBondContact O-CD1 3.37Å
93N77.4Confident69.1Low40 Ų4071.2 Ų71.221%0.21438%0.377CS..  trans-146.291.3173.7-168.3-23.4000112.3L91 F95 A96 L97L91-N93 VanDerWaalsContact C-N 3.34Å; L91-N93 PolarHBondContact O-N 3.19Å; N93-F95 VanDerWaalsContact C-N 3.28Å; N93-F95 PolarHBondContact O-N 2.55Å; N93-F95 PolarHBondContact OD1-N 3.25Å; N93-A96 HydrophobicContact CB-CB 3.96Å; N93-A96 PolarHBondContact O-N 3.19Å; N93-A96 PolarHBondContact OD1-N 3.34Å; N93-A96 VanDerWaalsContact OD1-N 3.16Å; N93-L97 PolarHBondContact O-N 2.89Å
94P78.2Confident69.3Low17 Ų1774.4 Ų74.411%0.1139%0.391CS..Hα-helixtrans-63.9-29.9-176.624.8-33.8000113.4L97 M98 M186P94-L97 PolarHBondContact O-N 3Å; P94-M98 WeakPolarHBondContact O-CG 3.41Å; P94-M98 PolarHBondContact O-N 3.5Å; P94-M186 HydrophobicContact CB-CE 4.23Å; P94-M186 HydrophobicContact CB-SD 3.73Å; P94-M186 HydrophobicContact CG-SD 3.84Å
95F81.6Confident69.8Low26 Ų2671.4 Ų71.411%0.11437%0.374CS..Hα-helixtrans-69.8-40.4177.2-71.5-71.1000111.9N93 L97 M98 H99 R163 M186 Q188N93-F95 VanDerWaalsContact C-N 3.28Å; N93-F95 PolarHBondContact O-N 2.55Å; N93-F95 PolarHBondContact OD1-N 3.25Å; F95-L97 VanDerWaalsContact C-N 3.28Å; F95-L97 PolarHBondContact O-N 2.7Å; F95-M98 PolarHBondContact O-N 3.18Å; F95-M98 VanDerWaalsContact O-N 3.16Å; F95-H99 PolarHBondContact O-CD2 2.83Å; F95-H99 PolarHBondContact O-N 2.67Å; F95-R163 HydrophobicContact CZ-CB 4.02Å; F95-M186 HydrophobicContact CE1-CB 3.96Å; F95-M186 HydrophobicContact CZ-CB 4.17Å; F95-Q188 HydrophobicContact CE1-CB 4.07Å; F95-Q188 HydrophobicContact CZ-CB 3.9Å
96A80.7Confident70.7Confident42 Ų4272.5 Ų72.535%0.34738%0.375SS..Hα-helixtrans-59.4-40.9175.600000111.8N93 H99 Q100N93-A96 HydrophobicContact CB-CB 3.96Å; N93-A96 PolarHBondContact O-N 3.19Å; N93-A96 PolarHBondContact OD1-N 3.34Å; N93-A96 VanDerWaalsContact OD1-N 3.16Å; A96-H99 PolarHBondContact O-N 3.39Å; A96-Q100 PolarHBondContact O-N 3.48Å
97L79.9Confident72Confident25 Ų2573.9 Ų73.913%0.13138%0.384CS..Hα-helixtrans-65.6-43.9174.318060.1000111.8F86 N93 P94 F95 H99 Q100 M101F86-L97 HydrophobicContact CB-CD2 4.05Å; F86-L97 HydrophobicContact CD1-CD2 3.3Å; F86-L97 HydrophobicContact CD1-CG 4.18Å; F86-L97 HydrophobicContact CE1-CD2 3.91Å; F86-L97 HydrophobicContact CE1-CG 4.32Å; F86-L97 HydrophobicContact CG-CD2 3.87Å; N93-L97 PolarHBondContact O-N 2.89Å; P94-L97 PolarHBondContact O-N 3Å; F95-L97 VanDerWaalsContact C-N 3.28Å; F95-L97 PolarHBondContact O-N 2.7Å; L97-H99 VanDerWaalsContact C-N 3.35Å; L97-H99 PolarHBondContact O-N 2.85Å; L97-Q100 WeakPolarHBondContact O-CB 3.43Å; L97-Q100 PolarHBondContact O-N 3.46Å; L97-Q100 VanDerWaalsContact O-N 3.13Å; L97-M101 HydrophobicContact CD1-CG 4.42Å; L97-M101 HydrophobicContact CG-SD 4.43Å; L97-M101 WeakPolarHBondContact O-CG 3.08Å; L97-M101 PolarHBondContact O-N 3.22Å
98M82.5Confident73.4Confident0 Ų071.6 Ų71.60%037%0.367CS..Hα-helixtrans-60.9-42.1175.2-71.2-177.2-171.500112.1L81 F86 P94 F95 Q100 M101 D102 M186L81-M98 HydrophobicContact CD1-CG 4.47Å; F86-M98 HydrophobicContact CE1-CE 3.72Å; F86-M98 HydrophobicContact CE1-CG 4.06Å; F86-M98 HydrophobicContact CZ-CE 3.75Å; F86-M98 HydrophobicContact CZ-CG 4.24Å; P94-M98 WeakPolarHBondContact O-CG 3.41Å; P94-M98 PolarHBondContact O-N 3.5Å; F95-M98 PolarHBondContact O-N 3.18Å; F95-M98 VanDerWaalsContact O-N 3.16Å; M98-Q100 VanDerWaalsContact C-N 3.32Å; M98-Q100 PolarHBondContact O-N 2.94Å; M98-M101 PolarHBondContact O-N 2.79Å; M98-D102 WeakPolarHBondContact O-CB 3.19Å; M98-D102 PolarHBondContact O-N 3.15Å; M98-M186 HydrophobicContact CE-CB 3.69Å; M98-M186 HydrophobicContact CE-CG 3.72Å; M98-M186 VanDerWaalsContact CE-N 3.35Å; M98-M186 HydrophobicContact CE-SD 4.17Å; M98-M186 HydrophobicContact SD-CB 3.85Å; M98-M186 PolarHBondContact SD-N 3.34Å
99H81.3Confident74.7Confident35 Ų3566.2 Ų66.216%0.16234%0.34CS..Hα-helixtrans-61.3-39.3173.1-76.2-64.8000112.3F95 A96 L97 R103 V123 S124 Q349F95-H99 PolarHBondContact O-CD2 2.83Å; F95-H99 PolarHBondContact O-N 2.67Å; A96-H99 PolarHBondContact O-N 3.39Å; L97-H99 VanDerWaalsContact C-N 3.35Å; L97-H99 PolarHBondContact O-N 2.85Å; H99-R103 WeakPolarHBondContact O-CB 3.45Å; H99-R103 WeakPolarHBondContact O-CG 3.31Å; H99-R103 PolarHBondContact O-N 3.12Å; H99-V123 WeakPolarHBondContact CE1-CG2 3.46Å; H99-V123 WeakPolarHBondContact ND1-CG2 3.36Å; H99-S124 PolarHBondContact CE1-OG 2.8Å; H99-S124 PolarHBondContact ND1-OG 2.75Å; H99-S124 VanDerWaalsContact ND1-OG 3.11Å; H99-Q349 PolarHBondContact NE2-NE2 2.83Å
100Q82.1Confident76.6Confident112 Ų11269 Ų6952%0.52333%0.333SS..Hα-helixtrans-64.4-43.6175.4-178.6179-41.700111.3A96 L97 M98 R103 H104A96-Q100 PolarHBondContact O-N 3.48Å; L97-Q100 WeakPolarHBondContact O-CB 3.43Å; L97-Q100 PolarHBondContact O-N 3.46Å; L97-Q100 VanDerWaalsContact O-N 3.13Å; M98-Q100 VanDerWaalsContact C-N 3.32Å; M98-Q100 PolarHBondContact O-N 2.94Å; Q100-R103 PolarHBondContact O-N 2.96Å; Q100-H104 WeakPolarHBondContact O-CB 3.37Å; Q100-H104 PolarHBondContact O-N 2.82Å
101M81Confident78.4Confident25 Ų2573.5 Ų73.512%0.12334%0.344CS..Hα-helixtrans-64.6-45.6177.4-69.9-177.465.600112L81 T85 F86 L97 M98 R103 H104 I105L81-M101 HydrophobicContact CB-CE 4.07Å; L81-M101 HydrophobicContact CD1-CB 4.39Å; L81-M101 HydrophobicContact CD1-CE 3.61Å; L81-M101 HydrophobicContact CD1-SD 3.81Å; L81-M101 HydrophobicContact CD2-CE 4.02Å; L81-M101 HydrophobicContact CG-CE 4.11Å; T85-M101 HydrophobicContact CG2-CE 3.42Å; T85-M101 VanDerWaalsContact CG2-CE 3.42Å; T85-M101 HydrophobicContact CG2-SD 3.68Å; F86-M101 HydrophobicContact CZ-SD 4.29Å; L97-M101 HydrophobicContact CD1-CG 4.42Å; L97-M101 HydrophobicContact CG-SD 4.43Å; L97-M101 WeakPolarHBondContact O-CG 3.08Å; L97-M101 PolarHBondContact O-N 3.22Å; M98-M101 PolarHBondContact O-N 2.79Å; M101-R103 VanDerWaalsContact C-N 3.33Å; M101-R103 PolarHBondContact O-N 3.13Å; M101-H104 PolarHBondContact O-N 2.81Å; M101-H104 VanDerWaalsContact O-N 3.13Å; M101-I105 WeakPolarHBondContact O-CG1 3.49Å; M101-I105 PolarHBondContact O-N 2.8Å
102D82.1Confident79.3Confident13 Ų1372.1 Ų72.17%0.0734%0.335CS..Hα-helixtrans-59.9-43.9177.5-75.9-10.8000111M98 H104 I105 Q106 T120 V123 R185M98-D102 WeakPolarHBondContact O-CB 3.19Å; M98-D102 PolarHBondContact O-N 3.15Å; D102-H104 VanDerWaalsContact C-N 3.34Å; D102-H104 PolarHBondContact O-N 2.92Å; D102-I105 PolarHBondContact O-N 3.46Å; D102-Q106 VanDerWaalsContact O-CB 3.29Å; D102-Q106 WeakPolarHBondContact O-CB 3.35Å; D102-Q106 PolarHBondContact O-N 3.34Å; D102-T120 PolarHBondContact OD1-OG1 2.77Å; D102-V123 WeakPolarHBondContact OD2-CG2 3.4Å; D102-V123 PolarHBondContact OD2-N 2.87Å; D102-V123 VanDerWaalsContact OD2-N 3.15Å; D102-R185 VanDerWaalsContact CG-NH2 3.27Å; D102-R185 IonicContact OD1-CZ 3.27Å; D102-R185 IonicContact OD1-NH1 3.65Å; D102-R185 PolarHBondContact OD1-NH1 3.34Å; D102-R185 IonicContact OD1-NH2 2.66Å; D102-R185 PolarHBondContact OD1-NH2 3.46Å; D102-R185 IonicContact OD2-CZ 3.36Å; D102-R185 IonicContact OD2-NH1 3.53Å; D102-R185 IonicContact OD2-NH2 3.08Å; D102-R185 PolarHBondContact OD2-NH2 3.49Å
103R81.6Confident79.5Confident181 Ų18168.4 Ų68.468%0.68334%0.336SS*.Hα-helixtrans-61.7-41.7174.1-76.1-169.5-63157.4-1.4112.3H99 Q100 M101 Q106 D107H99-R103 WeakPolarHBondContact O-CB 3.45Å; H99-R103 WeakPolarHBondContact O-CG 3.31Å; H99-R103 PolarHBondContact O-N 3.12Å; Q100-R103 PolarHBondContact O-N 2.96Å; M101-R103 VanDerWaalsContact C-N 3.33Å; M101-R103 PolarHBondContact O-N 3.13Å; R103-Q106 PolarHBondContact O-N 2.86Å; R103-D107 PolarHBondContact O-N 2.83Å
104H81.7Confident78.5Confident114 Ų11468 Ų6853%0.52834%0.336SS..Hα-helixtrans-66-44.3-179.7-172.755.1000111.9Q100 M101 D102 Q106 D107 I108Q100-H104 WeakPolarHBondContact O-CB 3.37Å; Q100-H104 PolarHBondContact O-N 2.82Å; M101-H104 PolarHBondContact O-N 2.81Å; M101-H104 VanDerWaalsContact O-N 3.13Å; D102-H104 VanDerWaalsContact C-N 3.34Å; D102-H104 PolarHBondContact O-N 2.92Å; H104-Q106 VanDerWaalsContact C-N 3.32Å; H104-Q106 PolarHBondContact O-N 2.76Å; H104-D107 PolarHBondContact O-N 3.41Å; H104-I108 WeakPolarHBondContact O-CG1 3.5Å; H104-I108 PolarHBondContact O-N 3.31Å
105I80.3Confident77.4Confident39 Ų3974.1 Ų74.120%0.237%0.365CS..Hα-helixtrans-66.2-38.3178-67167.6000110.7M101 D102 I108 R109 V117 T120M101-I105 WeakPolarHBondContact O-CG1 3.49Å; M101-I105 PolarHBondContact O-N 2.8Å; D102-I105 PolarHBondContact O-N 3.46Å; I105-I108 PolarHBondContact O-N 3.34Å; I105-R109 WeakPolarHBondContact O-CB 3.47Å; I105-R109 PolarHBondContact O-N 3.05Å; I105-V117 HydrophobicContact CG2-CG1 3.83Å; I105-T120 HydrophobicContact CB-CG2 4.44Å; I105-T120 HydrophobicContact CD1-CG2 3.46Å; I105-T120 VanDerWaalsContact CD1-CG2 3.46Å; I105-T120 HydrophobicContact CG2-CG2 4Å
106Q79.2Confident76Confident83 Ų8379.6 Ų79.639%0.38840%0.396SS..Hα-helixtrans-64.1-42.2174.9-175.459.223.900112.1D102 R103 H104 I108 R109 E110D102-Q106 VanDerWaalsContact O-CB 3.29Å; D102-Q106 WeakPolarHBondContact O-CB 3.35Å; D102-Q106 PolarHBondContact O-N 3.34Å; R103-Q106 PolarHBondContact O-N 2.86Å; H104-Q106 VanDerWaalsContact C-N 3.32Å; H104-Q106 PolarHBondContact O-N 2.76Å; Q106-I108 PolarHBondContact O-N 2.98Å; Q106-R109 WeakPolarHBondContact O-CB 3.24Å; Q106-R109 PolarHBondContact O-N 2.86Å; Q106-E110 PolarHBondContact NE2-OE1 2.97Å; Q106-E110 WeakPolarHBondContact O-CG 3.12Å; Q106-E110 PolarHBondContact O-N 2.97Å
107D81.3Confident74.9Confident55 Ų5578.8 Ų78.829%0.29439%0.387SS..Hα-helixtrans-61.7-42173.5178.554.4000111.5R103 H104 R109 E110 R111R103-D107 PolarHBondContact O-N 2.83Å; H104-D107 PolarHBondContact O-N 3.41Å; D107-R109 VanDerWaalsContact C-N 3.33Å; D107-R109 PolarHBondContact O-N 3.07Å; D107-E110 PolarHBondContact O-N 3.23Å; D107-R111 VanDerWaalsContact CG-NE 3.28Å; D107-R111 WeakPolarHBondContact O-CB 3.32Å; D107-R111 VanDerWaalsContact O-CG 3.26Å; D107-R111 WeakPolarHBondContact O-CG 3.23Å; D107-R111 PolarHBondContact O-N 3.29Å; D107-R111 IonicContact OD1-CZ 3.52Å; D107-R111 IonicContact OD1-NE 2.87Å; D107-R111 PolarHBondContact OD1-NE 3.02Å; D107-R111 IonicContact OD1-NH2 3.26Å; D107-R111 PolarHBondContact OD1-NH2 2.8Å; D107-R111 IonicContact OD2-CZ 3.24Å; D107-R111 VanDerWaalsContact OD2-CZ 3.24Å; D107-R111 IonicContact OD2-NE 3.04Å; D107-R111 PolarHBondContact OD2-NE 2.99Å; D107-R111 IonicContact OD2-NH2 2.98Å; D107-R111 PolarHBondContact OD2-NH2 3.35Å
108I79.5Confident73.9Confident59 Ų5982 Ų8230%0.30341%0.409SS..Hα-helixtrans-59.6-45.5173.9-68.6167.6000110.5H104 I105 Q106 E110 R111 M112 V117H104-I108 WeakPolarHBondContact O-CG1 3.5Å; H104-I108 PolarHBondContact O-N 3.31Å; I105-I108 PolarHBondContact O-N 3.34Å; Q106-I108 PolarHBondContact O-N 2.98Å; I108-E110 PolarHBondContact O-N 3.25Å; I108-R111 PolarHBondContact O-N 2.72Å; I108-M112 HydrophobicContact CG2-CG 3.96Å; I108-M112 VanDerWaalsContact O-CB 3.24Å; I108-M112 WeakPolarHBondContact O-CB 3.41Å; I108-M112 WeakPolarHBondContact O-CG 3.37Å; I108-M112 PolarHBondContact O-N 3.01Å; I108-V117 HydrophobicContact CG2-CG2 4.36Å
109R75.8Confident73.2Confident52 Ų5283.8 Ų83.820%0.19642%0.422CS..Hα-helixtrans-60.6-45.1179.3-170.5-175-159.5165.713.4111.8I105 Q106 D107 G113 V117I105-R109 WeakPolarHBondContact O-CB 3.47Å; I105-R109 PolarHBondContact O-N 3.05Å; Q106-R109 WeakPolarHBondContact O-CB 3.24Å; Q106-R109 PolarHBondContact O-N 2.86Å; D107-R109 VanDerWaalsContact C-N 3.33Å; D107-R109 PolarHBondContact O-N 3.07Å; R109-G113 PolarHBondContact O-N 3.38Å; R109-G113 VanDerWaalsContact O-N 3.1Å; R109-V117 HydrophobicContact CB-CB 4.42Å; R109-V117 HydrophobicContact CG-CB 4.42Å
110E80.5Confident72.6Confident131 Ų13183 Ų8361%0.61242%0.419SS*.Hα-helixtrans-64.3-41.8178.6-74.6172.7-165.700111.7Q106 D107 I108Q106-E110 PolarHBondContact NE2-OE1 2.97Å; Q106-E110 WeakPolarHBondContact O-CG 3.12Å; Q106-E110 PolarHBondContact O-N 2.97Å; D107-E110 PolarHBondContact O-N 3.23Å; I108-E110 PolarHBondContact O-N 3.25Å
111R82.8Confident72.1Confident189 Ų18977.8 Ų77.871%0.71340%0.396SS*.Hα-helixtrans-71.7-41.4178.4-70.3177.9-169.5-147.59.2113.6D107 I108 G113D107-R111 VanDerWaalsContact CG-NE 3.28Å; D107-R111 WeakPolarHBondContact O-CB 3.32Å; D107-R111 VanDerWaalsContact O-CG 3.26Å; D107-R111 WeakPolarHBondContact O-CG 3.23Å; D107-R111 PolarHBondContact O-N 3.29Å; D107-R111 IonicContact OD1-CZ 3.52Å; D107-R111 IonicContact OD1-NE 2.87Å; D107-R111 PolarHBondContact OD1-NE 3.02Å; D107-R111 IonicContact OD1-NH2 3.26Å; D107-R111 PolarHBondContact OD1-NH2 2.8Å; D107-R111 IonicContact OD2-CZ 3.24Å; D107-R111 VanDerWaalsContact OD2-CZ 3.24Å; D107-R111 IonicContact OD2-NE 3.04Å; D107-R111 PolarHBondContact OD2-NE 2.99Å; D107-R111 IonicContact OD2-NH2 2.98Å; D107-R111 PolarHBondContact OD2-NH2 3.35Å; I108-R111 PolarHBondContact O-N 2.72Å; R111-G113 VanDerWaalsContact C-N 3.26Å; R111-G113 PolarHBondContact O-N 3.22Å
112M73.3Confident71.8Confident130 Ų13078.5 Ų78.564%0.6440%0.403SS*.Hα-helixtrans-78.8-13.9-176.4-67.1-109.6-72.700112.1I108 S114I108-M112 HydrophobicContact CG2-CG 3.96Å; I108-M112 VanDerWaalsContact O-CB 3.24Å; I108-M112 WeakPolarHBondContact O-CB 3.41Å; I108-M112 WeakPolarHBondContact O-CG 3.37Å; I108-M112 PolarHBondContact O-N 3.01Å; M112-S114 PolarHBondContact O-N 2.83Å
113G65.9Low71.4Confident69 Ų6978.5 Ų78.571%0.71140%0.403SS*.  trans58.18-178.200000114R109 R111R109-G113 PolarHBondContact O-N 3.38Å; R109-G113 VanDerWaalsContact O-N 3.1Å; R111-G113 VanDerWaalsContact C-N 3.26Å; R111-G113 PolarHBondContact O-N 3.22Å
114S57.4Low70.8Confident31 Ų3171.9 Ų71.922%0.21739%0.385CS..  trans-99128.6-171.4-173.30000110.5M112 D116M112-S114 PolarHBondContact O-N 2.83Å; S114-D116 PolarHBondContact O-N 3.44Å; S114-D116 WeakPolarHBondContact OG-CB 3.4Å; S114-D116 PolarHBondContact OG-N 2.82Å; S114-D116 PolarHBondContact OG-OD2 3.14Å
115M54.6Low70.7Confident145 Ų14569.1 Ų69.171%0.71437%0.374SS*.THydrogen-bonded Turntrans-64.7-12.3166.2-66.5178.659.300112.2V117M115-V117 VanDerWaalsContact C-N 3.27Å; M115-V117 PolarHBondContact O-N 2.72Å
116D53.2Low71Confident142 Ų14268.5 Ų68.576%0.75937%0.37SS*.THydrogen-bonded Turntrans-73.2-14.5-177.1-56-36.3000113.6S114 P118S114-D116 PolarHBondContact O-N 3.44Å; S114-D116 WeakPolarHBondContact OG-CB 3.4Å; S114-D116 PolarHBondContact OG-N 2.82Å; S114-D116 PolarHBondContact OG-OD2 3.14Å; D116-P118 VanDerWaalsContact O-CD 3.25Å; D116-P118 WeakPolarHBondContact O-CD 3.47Å
117V56.7Low71.4Confident25 Ų2565.1 Ų65.115%0.15235%0.354CS..SBendtrans-79113.2168.9-174.40000107.9I105 I108 R109 M115 S119I105-V117 HydrophobicContact CG2-CG1 3.83Å; I108-V117 HydrophobicContact CG2-CG2 4.36Å; R109-V117 HydrophobicContact CB-CB 4.42Å; R109-V117 HydrophobicContact CG-CB 4.42Å; M115-V117 VanDerWaalsContact C-N 3.27Å; M115-V117 PolarHBondContact O-N 2.72Å; V117-S119 PolarHBondContact O-N 2.92Å
118P58.3Low71.5Confident91 Ų9165.1 Ų65.159%0.59135%0.352SS*.  trans-59.8140.1-178.8-20.833.3000110.5D116 T120D116-P118 VanDerWaalsContact O-CD 3.25Å; D116-P118 WeakPolarHBondContact O-CD 3.47Å; P118-T120 PolarHBondContact O-N 3.17Å
119S68.9Low72Confident39 Ų3963.6 Ų63.627%0.27334%0.344SS..  trans-58.1129.4167-162.10000108R75 V117 G121R75-S119 VanDerWaalsContact O-CB 3.26Å; R75-S119 WeakPolarHBondContact O-CB 3.17Å; R75-S119 PolarHBondContact O-OG 3.31Å; V117-S119 PolarHBondContact O-N 2.92Å; S119-G121 VanDerWaalsContact C-N 3.27Å
120T69.3Low72.8Confident18 Ų1861.2 Ų61.211%0.1134%0.336CS..  trans-84.5-5.3173.553.60000113.6F78 A79 L81 D102 I105 P118 R185F78-T120 VanDerWaalsContact CA-O 3.28Å; F78-T120 WeakPolarHBondContact CA-O 3.14Å; A79-T120 HydrophobicContact CB-CG2 4.11Å; A79-T120 PolarHBondContact N-O 3.13Å; L81-T120 HydrophobicContact CD2-CG2 4.38Å; D102-T120 PolarHBondContact OD1-OG1 2.77Å; I105-T120 HydrophobicContact CB-CG2 4.44Å; I105-T120 HydrophobicContact CD1-CG2 3.46Å; I105-T120 VanDerWaalsContact CD1-CG2 3.46Å; I105-T120 HydrophobicContact CG2-CG2 4Å; P118-T120 PolarHBondContact O-N 3.17Å; T120-R185 PolarHBondContact O-NH2 3.14Å
121G71.2Confident73.5Confident3 Ų355.1 Ų55.13%0.03131%0.307CS..  trans67.9122.6-166.300000109.9M77 F78 S119 V123 R185M77-G121 PolarHBondContact O-N 3.26Å; F78-G121 WeakPolarHBondContact CD1-O 3.49Å; S119-G121 VanDerWaalsContact C-N 3.27Å; G121-V123 PolarHBondContact O-N 3.36Å; G121-R185 PolarHBondContact O-NH2 3.31Å
122S74.7Confident74Confident39 Ų3946.7 Ų46.727%0.27328%0.276SS..  trans-78.9123.8-178.3169.70000110.3S124 D125 F126S122-S124 PolarHBondContact O-N 2.98Å; S122-S124 VanDerWaalsContact O-N 3.14Å; S122-S124 PolarHBondContact OG-N 3.08Å; S122-D125 VanDerWaalsContact CB-OD2 3.29Å; S122-D125 WeakPolarHBondContact CB-OD2 3.38Å; S122-D125 PolarHBondContact O-N 2.75Å; S122-D125 VanDerWaalsContact O-N 3.16Å; S122-D125 PolarHBondContact OG-N 2.8Å; S122-D125 PolarHBondContact OG-OD2 2.97Å; S122-F126 PolarHBondContact O-N 3.47Å
123V73.3Confident75Confident13 Ų1340.5 Ų40.58%0.07925%0.245CC..THydrogen-bonded Turntrans-61.1-17.6172.7-75.90000113.1F78 H99 D102 G121 F126F78-V123 HydrophobicContact CE1-CG1 4.09Å; H99-V123 WeakPolarHBondContact CE1-CG2 3.46Å; H99-V123 WeakPolarHBondContact ND1-CG2 3.36Å; D102-V123 WeakPolarHBondContact OD2-CG2 3.4Å; D102-V123 PolarHBondContact OD2-N 2.87Å; D102-V123 VanDerWaalsContact OD2-N 3.15Å; G121-V123 PolarHBondContact O-N 3.36Å; V123-F126 WeakPolarHBondContact O-CD1 3.36Å
124S69.8Low76.4Confident42 Ų4237.2 Ų37.229%0.29421%0.212SC..THydrogen-bonded Turntrans-86.7-25.5176.6-57.60000113.8H99 S122 T325H99-S124 PolarHBondContact CE1-OG 2.8Å; H99-S124 PolarHBondContact ND1-OG 2.75Å; H99-S124 VanDerWaalsContact ND1-OG 3.11Å; S122-S124 PolarHBondContact O-N 2.98Å; S122-S124 VanDerWaalsContact O-N 3.14Å; S122-S124 PolarHBondContact OG-N 3.08Å; S124-T325 WeakPolarHBondContact O-CB 3.48Å; S124-T325 PolarHBondContact O-OG1 2.75Å
125D78.3Confident78Confident57 Ų5741.4 Ų41.431%0.30523%0.228SC..THydrogen-bonded Turntrans-118-1.4-161.6-51.9-24.4000113.2S122 L127 K128 S290S122-D125 VanDerWaalsContact CB-OD2 3.29Å; S122-D125 WeakPolarHBondContact CB-OD2 3.38Å; S122-D125 PolarHBondContact O-N 2.75Å; S122-D125 VanDerWaalsContact O-N 3.16Å; S122-D125 PolarHBondContact OG-N 2.8Å; S122-D125 PolarHBondContact OG-OD2 2.97Å; D125-L127 VanDerWaalsContact C-N 3.29Å; D125-L127 PolarHBondContact O-N 3.09Å; D125-K128 WeakPolarHBondContact O-CG 3.44Å; D125-S290 VanDerWaalsContact CB-OG 3.31Å; D125-S290 WeakPolarHBondContact CB-OG 3.29Å; D125-S290 VanDerWaalsContact OD1-CB 3.27Å; D125-S290 WeakPolarHBondContact OD1-CB 3.3Å
126F86.3Confident79.7Confident25 Ų2537.6 Ų37.611%0.1121%0.21CC..THydrogen-bonded Turntrans-68.3-26.8-17379.1-83.2000113.6F78 S122 V123 K128 D129 A130 F141 V143 V187 Q188F78-F126 HydrophobicContact CE1-CB 4.26Å; F78-F126 HydrophobicContact CE2-CB 4.01Å; F78-F126 HydrophobicContact CE2-CD2 4.17Å; F78-F126 HydrophobicContact CE2-CG 4.04Å; F78-F126 HydrophobicContact CZ-CB 3.44Å; F78-F126 VanDerWaalsContact CZ-CB 3.44Å; F78-F126 AromaticContact CZ-CD1 3.84Å; F78-F126 HydrophobicContact CZ-CD1 3.84Å; F78-F126 HydrophobicContact CZ-CD2 4.11Å; F78-F126 AromaticContact CZ-CG 3.53Å; F78-F126 HydrophobicContact CZ-CG 3.53Å; S122-F126 PolarHBondContact O-N 3.47Å; V123-F126 WeakPolarHBondContact O-CD1 3.36Å; F126-K128 PolarHBondContact O-N 3.16Å; F126-D129 PolarHBondContact O-N 2.75Å; F126-A130 HydrophobicContact CD2-CB 3.92Å; F126-A130 HydrophobicContact CE2-CB 4.22Å; F126-A130 WeakPolarHBondContact O-CB 3.16Å; F126-A130 PolarHBondContact O-N 3.43Å; F126-A130 VanDerWaalsContact O-N 3.09Å; F126-F141 AromaticContact CE2-CE2 3.96Å; F126-F141 HydrophobicContact CE2-CE2 3.96Å; F126-F141 AromaticContact CE2-CZ 3.97Å; F126-F141 HydrophobicContact CE2-CZ 3.97Å; F126-V143 HydrophobicContact CD2-CG1 3.67Å; F126-V143 HydrophobicContact CE2-CG1 3.77Å; F126-V187 HydrophobicContact CD2-CG1 4.39Å; F126-V187 HydrophobicContact CE1-CG1 4.08Å; F126-V187 HydrophobicContact CE2-CG1 3.69Å; F126-V187 HydrophobicContact CZ-CG1 3.51Å; F126-Q188 WeakPolarHBondContact CZ-O 2.99Å
127L88.4Confident81.5Confident12 Ų1230.9 Ų30.96%0.06317%0.174CC..Hα-helixtrans-61.9-28.4-171.8-71.3176.8000114.1D125 D129 A130 Y131 F141 P190 T325D125-L127 VanDerWaalsContact C-N 3.29Å; D125-L127 PolarHBondContact O-N 3.09Å; L127-D129 PolarHBondContact O-N 3.26Å; L127-A130 HydrophobicContact CD2-CB 4.46Å; L127-A130 PolarHBondContact O-N 3.02Å; L127-Y131 HydrophobicContact CD2-CE2 4.31Å; L127-Y131 WeakPolarHBondContact O-CD2 3.48Å; L127-F141 HydrophobicContact CD2-CE2 4.28Å; L127-P190 HydrophobicContact CD2-CG 3.38Å; L127-T325 HydrophobicContact CD1-CG2 4.1Å
128K84.3Confident83.1Confident56 Ų5634.1 Ų34.124%0.24319%0.187CC..Hα-helixtrans-63.5-29.2179.574.4-170.2176-167.70113.9D125 F126 D289 S290D125-K128 WeakPolarHBondContact O-CG 3.44Å; F126-K128 PolarHBondContact O-N 3.16Å; K128-D289 WeakPolarHBondContact CD-OD1 3.39Å; K128-D289 IonicContact NZ-OD1 2.73Å; K128-D289 PolarHBondContact NZ-OD1 2.78Å; K128-S290 WeakPolarHBondContact CD-OG 3.23Å; K128-S290 PolarHBondContact NZ-OG 2.84Å
129D88.8Confident84.9Confident26 Ų2629.9 Ų29.914%0.13916%0.159CC..Hα-helixtrans-111.90.6-178.7-63.9-46.6000111.2R72 F126 L127 Y131 Q229R72-D129 IonicContact NE-OD1 2.89Å; R72-D129 PolarHBondContact NE-OD1 2.82Å; F126-D129 PolarHBondContact O-N 2.75Å; L127-D129 PolarHBondContact O-N 3.26Å; D129-Y131 VanDerWaalsContact C-N 3.34Å; D129-Q229 PolarHBondContact OD1-NE2 2.99Å
130A93.3Very high86.2Confident2 Ų229.2 Ų29.22%0.01715%0.151CC..Hα-helixtrans-81.2-13.6179.400000113F126 L127 F141 K142 V143F126-A130 HydrophobicContact CD2-CB 3.92Å; F126-A130 HydrophobicContact CE2-CB 4.22Å; F126-A130 WeakPolarHBondContact O-CB 3.16Å; F126-A130 PolarHBondContact O-N 3.43Å; F126-A130 VanDerWaalsContact O-N 3.09Å; L127-A130 HydrophobicContact CD2-CB 4.46Å; L127-A130 PolarHBondContact O-N 3.02Å; A130-F141 HydrophobicContact CB-CD2 3.97Å; A130-F141 HydrophobicContact CB-CE2 3.74Å; A130-F141 CarbonylContact O-C 3.44Å; A130-F141 VanDerWaalsContact O-CA 3.26Å; A130-F141 WeakPolarHBondContact O-CA 3.22Å; A130-K142 WeakPolarHBondContact CA-O 3.39Å; A130-K142 PolarHBondContact O-N 2.85Å; A130-V143 HydrophobicContact CB-CG1 4.08Å
131Y94.5Very high87.5Confident3 Ų328.4 Ų28.41%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-109.5120.5178-62.9-73.2000110.6L127 D129 V139 H140 F141 P190 S192 I193 V214 V230 D327 P328 L329L127-Y131 HydrophobicContact CD2-CE2 4.31Å; L127-Y131 WeakPolarHBondContact O-CD2 3.48Å; D129-Y131 VanDerWaalsContact C-N 3.34Å; Y131-V139 HydrophobicContact CD1-CG1 4.15Å; Y131-V139 HydrophobicContact CG-CG1 4.5Å; Y131-H140 WeakPolarHBondContact CA-O 3.36Å; Y131-F141 HydrophobicContact CD1-CB 4.45Å; Y131-F141 HydrophobicContact CD1-CD2 4.44Å; Y131-F141 HydrophobicContact CE1-CB 4.23Å; Y131-F141 AromaticContact CE1-CD2 3.92Å; Y131-F141 HydrophobicContact CE1-CD2 3.92Å; Y131-P190 WeakPolarHBondContact OH-CB 3.49Å; Y131-P190 WeakPolarHBondContact OH-CG 3.49Å; Y131-S192 PolarHBondContact OH-OG 2.96Å; Y131-I193 HydrophobicContact CE1-CG2 4.44Å; Y131-V214 HydrophobicContact CD1-CG1 3.85Å; Y131-V214 HydrophobicContact CE1-CG1 3.74Å; Y131-V230 WeakPolarHBondContact O-CG2 2.91Å; Y131-D327 WeakPolarHBondContact CE2-OD1 3.48Å; Y131-D327 VanDerWaalsContact CZ-OD1 3.29Å; Y131-D327 PolarHBondContact OH-OD1 3.08Å; Y131-P328 HydrophobicContact CD2-CB 4.37Å; Y131-P328 HydrophobicContact CD2-CG 3.99Å; Y131-P328 HydrophobicContact CE2-CB 4.45Å; Y131-P328 HydrophobicContact CE2-CG 3.97Å; Y131-L329 HydrophobicContact CD1-CD1 3.64Å; Y131-L329 HydrophobicContact CD1-CG 4.08Å; Y131-L329 HydrophobicContact CE1-CD1 3.38Å; Y131-L329 HydrophobicContact CE1-CG 3.86Å; Y131-L329 HydrophobicContact CE2-CG 4.36Å; Y131-L329 HydrophobicContact CG-CD1 4.4Å; Y131-L329 HydrophobicContact CG-CG 4.39Å
132E94.5Very high88.7Confident12 Ų1228.6 Ų28.66%0.05615%0.146CC..EExtended strand (participates in β ladder)trans-145.6160.7-175.4-67.3-177.9-100.900111.6R25 G134 V139 H140 K142 R144R25-E132 IonicContact CZ-OE2 3Å; R25-E132 IonicContact NH1-OE2 3.38Å; R25-E132 PolarHBondContact NH1-OE2 3.12Å; R25-E132 IonicContact NH2-OE2 3.04Å; E132-G134 PolarHBondContact O-N 2.87Å; E132-V139 CarbonylContact O-C 3.55Å; E132-V139 WeakPolarHBondContact O-CA 3.39Å; E132-H140 PolarHBondContact N-O 3.16Å; E132-H140 PolarHBondContact O-N 2.82Å; E132-K142 HydrophobicContact CB-CD 4.43Å; E132-R144 IonicContact OE1-CZ 2.82Å; E132-R144 IonicContact OE1-NH1 3.79Å; E132-R144 PolarHBondContact OE1-NH1 2.96Å; E132-R144 IonicContact OE1-NH2 3.64Å; E132-R144 PolarHBondContact OE1-NH2 3.38Å; E132-R144 IonicContact OE2-NH2 3.21Å
133V94.4Very high89.7Confident0 Ų027 Ų270%014%0.135CC..EExtended strand (participates in β ladder)trans-65.9128.8173.7-175.60000110.2L32 W51 V55 W58 K138 K142 L224L32-V133 HydrophobicContact CD1-CG1 3.88Å; W51-V133 HydrophobicContact CH2-CG2 4.37Å; W51-V133 HydrophobicContact CZ2-CG2 4.15Å; V55-V133 HydrophobicContact CG1-CG1 4.25Å; V55-V133 HydrophobicContact CG2-CG1 4.4Å; V55-V133 HydrophobicContact CG2-CG2 4.44Å; W58-V133 HydrophobicContact CD2-CG2 4.24Å; W58-V133 HydrophobicContact CE3-CB 4.22Å; W58-V133 HydrophobicContact CE3-CG2 4.13Å; W58-V133 HydrophobicContact CH2-CB 3.73Å; W58-V133 HydrophobicContact CH2-CG1 4.47Å; W58-V133 HydrophobicContact CH2-CG2 4.31Å; W58-V133 HydrophobicContact CZ2-CB 4.12Å; W58-V133 HydrophobicContact CZ2-CG2 4.34Å; W58-V133 HydrophobicContact CZ3-CB 3.79Å; W58-V133 HydrophobicContact CZ3-CG1 4.13Å; W58-V133 HydrophobicContact CZ3-CG2 4.21Å; V133-K138 CarbonylContact C-O 3.5Å; V133-K138 WeakPolarHBondContact CA-O 3.27Å; V133-K142 PolarHBondContact O-NZ 3.26Å; V133-L224 HydrophobicContact CG2-CD1 3.93Å
134G93.4Very high90.8Very high1 Ų127.2 Ų27.21%0.0114%0.135CC..  trans-82.4179.1176.500000113.1L32 E132 D136 G137 K138L32-G134 WeakPolarHBondContact CD2-O 3.42Å; E132-G134 PolarHBondContact O-N 2.87Å; G134-D136 PolarHBondContact O-N 2.94Å; G134-G137 WeakPolarHBondContact O-CA 3.28Å; G134-G137 PolarHBondContact O-N 2.66Å; G134-K138 PolarHBondContact N-O 3.28Å
135E91.6Very high92.1Very high119 Ų11925.3 Ų25.356%0.55612%0.121SC*.THydrogen-bonded Turntrans-69.6-25.8174.2-66.6173.6-171.400111.9L28 G137 R201L28-E135 HydrophobicContact CD1-CB 4.39Å; L28-E135 HydrophobicContact CD1-CG 3.71Å; E135-G137 PolarHBondContact O-N 2.99Å; E135-R201 IonicContact OE1-NH1 3.75Å
136D90.1Very high92.9Very high65 Ų6525.9 Ų25.935%0.34812%0.124SC..THydrogen-bonded Turntrans-83.78.6169.973-12.1000112.6H39 G134 K138 H140H39-D136 PolarHBondContact CE1-O 2.61Å; H39-D136 VanDerWaalsContact NE2-C 3.34Å; G134-D136 PolarHBondContact O-N 2.94Å; D136-K138 PolarHBondContact O-N 2.97Å; D136-K138 PolarHBondContact OD1-N 2.86Å; D136-H140 IonicContact OD1-CD2 3.8Å; D136-H140 PolarHBondContact OD1-CD2 2.79Å; D136-H140 IonicContact OD1-CE1 3.61Å; D136-H140 IonicContact OD1-NE2 3.65Å; D136-H140 PolarHBondContact OD1-NE2 2.7Å; D136-H140 IonicContact OD2-CE1 3.83Å; D136-H140 IonicContact OD2-NE2 2.79Å; D136-H140 PolarHBondContact OD2-NE2 2.87Å
137G90.5Very high93.4Very high0 Ų024.7 Ų24.70%012%0.119CC..SBendtrans2538.4-166.300000118.5H39 W51 G134 E135H39-G137 WeakPolarHBondContact CE1-CA 3.49Å; H39-G137 PolarHBondContact CE1-N 3.27Å; H39-G137 PolarHBondContact CE1-O 3Å; H39-G137 PolarHBondContact ND1-O 2.72Å; H39-G137 VanDerWaalsContact ND1-O 3.11Å; H39-G137 WeakPolarHBondContact NE2-CA 3.43Å; H39-G137 PolarHBondContact NE2-N 3.08Å; W51-G137 PolarHBondContact NE1-O 3.28Å; G134-G137 WeakPolarHBondContact O-CA 3.28Å; G134-G137 PolarHBondContact O-N 2.66Å; E135-G137 PolarHBondContact O-N 2.99Å
138K92.2Very high93.6Very high94 Ų9430.9 Ų30.941%0.40915%0.147SC..SBendtrans-83.1167.9151.9-69.7177.4-175.5178.20108.4P46 Y47 V133 G134 D136 H140P46-K138 HydrophobicContact CB-CG 4.29Å; P46-K138 HydrophobicContact CG-CG 4.5Å; Y47-K138 VanDerWaalsContact OH-CB 3.31Å; Y47-K138 WeakPolarHBondContact OH-CB 3.48Å; V133-K138 CarbonylContact C-O 3.5Å; V133-K138 WeakPolarHBondContact CA-O 3.27Å; G134-K138 PolarHBondContact N-O 3.28Å; D136-K138 PolarHBondContact O-N 2.97Å; D136-K138 PolarHBondContact OD1-N 2.86Å; K138-H140 PolarHBondContact O-CD2 2.66Å
139V94.7Very high93.9Very high2 Ų230.6 Ų30.61%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-69137.5169.1175.10000108.7Y47 W51 Y131 E132 V214 L222 V230Y47-V139 HydrophobicContact CE2-CB 4.35Å; Y47-V139 HydrophobicContact CE2-CG2 3.83Å; Y47-V139 PolarHBondContact OH-N 2.81Å; W51-V139 HydrophobicContact CH2-CG2 3.8Å; W51-V139 HydrophobicContact CZ2-CG2 4.15Å; Y131-V139 HydrophobicContact CD1-CG1 4.15Å; Y131-V139 HydrophobicContact CG-CG1 4.5Å; E132-V139 CarbonylContact O-C 3.55Å; E132-V139 WeakPolarHBondContact O-CA 3.39Å; V139-V214 HydrophobicContact CB-CG2 4.1Å; V139-V214 HydrophobicContact CG1-CG1 4.41Å; V139-V214 HydrophobicContact CG1-CG2 4.07Å; V139-V214 WeakPolarHBondContact O-CG2 3.45Å; V139-L222 HydrophobicContact CB-CD1 4.34Å; V139-L222 HydrophobicContact CG2-CD1 4.05Å; V139-V230 HydrophobicContact CG1-CG1 4.48Å; V139-V230 HydrophobicContact CG1-CG2 3.94Å; V139-V230 HydrophobicContact CG2-CG1 4.37Å; V139-V230 HydrophobicContact CG2-CG2 3.86Å
140H95.9Very high94.1Very high25 Ų2530.7 Ų30.712%0.11616%0.159CC..EExtended strand (participates in β ladder)trans-128.4149.9172.6-78.8-115.3000109Y131 E132 D136 K138 K142Y131-H140 WeakPolarHBondContact CA-O 3.36Å; E132-H140 PolarHBondContact N-O 3.16Å; E132-H140 PolarHBondContact O-N 2.82Å; D136-H140 IonicContact OD1-CD2 3.8Å; D136-H140 PolarHBondContact OD1-CD2 2.79Å; D136-H140 IonicContact OD1-CE1 3.61Å; D136-H140 IonicContact OD1-NE2 3.65Å; D136-H140 PolarHBondContact OD1-NE2 2.7Å; D136-H140 IonicContact OD2-CE1 3.83Å; D136-H140 IonicContact OD2-NE2 2.79Å; D136-H140 PolarHBondContact OD2-NE2 2.87Å; K138-H140 PolarHBondContact O-CD2 2.66Å; H140-K142 HydrophobicContact CB-CG 4.4Å
141F96.7Very high94.1Very high0 Ų031.9 Ų31.90%017%0.17CC..EExtended strand (participates in β ladder)trans-79.4128.7165.8178.2-101.3000108.8F126 L127 A130 Y131 V143 L189 P190 I193 E211 A212 V214F126-F141 AromaticContact CE2-CE2 3.96Å; F126-F141 HydrophobicContact CE2-CE2 3.96Å; F126-F141 AromaticContact CE2-CZ 3.97Å; F126-F141 HydrophobicContact CE2-CZ 3.97Å; L127-F141 HydrophobicContact CD2-CE2 4.28Å; A130-F141 HydrophobicContact CB-CD2 3.97Å; A130-F141 HydrophobicContact CB-CE2 3.74Å; A130-F141 CarbonylContact O-C 3.44Å; A130-F141 VanDerWaalsContact O-CA 3.26Å; A130-F141 WeakPolarHBondContact O-CA 3.22Å; Y131-F141 HydrophobicContact CD1-CB 4.45Å; Y131-F141 HydrophobicContact CD1-CD2 4.44Å; Y131-F141 HydrophobicContact CE1-CB 4.23Å; Y131-F141 AromaticContact CE1-CD2 3.92Å; Y131-F141 HydrophobicContact CE1-CD2 3.92Å; F141-V143 HydrophobicContact CE1-CB 4.46Å; F141-V143 HydrophobicContact CE1-CG1 3.8Å; F141-V143 HydrophobicContact CE1-CG2 3.92Å; F141-V143 HydrophobicContact CE2-CG1 3.94Å; F141-V143 HydrophobicContact CZ-CB 4.45Å; F141-V143 HydrophobicContact CZ-CG1 3.38Å; F141-V143 HydrophobicContact CZ-CG2 4.27Å; F141-L189 HydrophobicContact CE1-CD2 4Å; F141-L189 HydrophobicContact CZ-CD2 4.26Å; F141-P190 HydrophobicContact CE2-CG 4.15Å; F141-I193 HydrophobicContact CB-CB 4.34Å; F141-I193 HydrophobicContact CB-CG2 3.67Å; F141-I193 HydrophobicContact CD1-CD1 4.01Å; F141-I193 HydrophobicContact CD1-CG2 4.26Å; F141-I193 HydrophobicContact CD2-CG2 3.81Å; F141-I193 HydrophobicContact CE1-CD1 4.12Å; F141-I193 HydrophobicContact CE2-CG2 4.46Å; F141-I193 HydrophobicContact CG-CD1 4.45Å; F141-I193 HydrophobicContact CG-CG2 3.66Å; F141-E211 CarbonylContact O-C 3.6Å; F141-E211 WeakPolarHBondContact O-CA 3.27Å; F141-E211 WeakPolarHBondContact O-CB 3.32Å; F141-A212 PolarHBondContact N-O 3.42Å; F141-A212 PolarHBondContact O-N 3.43Å; F141-V214 HydrophobicContact CB-CG1 4.15Å
142K96.7Very high94.1Very high7 Ų733 Ų333%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-141.4111.8-178.6-66.7-174.9179.1172.10110.4A130 E132 V133 H140 M209 L210 E211A130-K142 WeakPolarHBondContact CA-O 3.39Å; A130-K142 PolarHBondContact O-N 2.85Å; E132-K142 HydrophobicContact CB-CD 4.43Å; V133-K142 PolarHBondContact O-NZ 3.26Å; H140-K142 HydrophobicContact CB-CG 4.4Å; K142-M209 HydrophobicContact CD-SD 4.42Å; K142-L210 WeakPolarHBondContact CA-O 3.46Å; K142-E211 HydrophobicContact CG-CB 4.02Å
143V96.1Very high94Very high7 Ų739.7 Ų39.74%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-115.5147171.9-66.40000110.5F78 F126 A130 F141 F145 M209 L210F78-V143 HydrophobicContact CE2-CB 4.45Å; F126-V143 HydrophobicContact CD2-CG1 3.67Å; F126-V143 HydrophobicContact CE2-CG1 3.77Å; A130-V143 HydrophobicContact CB-CG1 4.08Å; F141-V143 HydrophobicContact CE1-CB 4.46Å; F141-V143 HydrophobicContact CE1-CG1 3.8Å; F141-V143 HydrophobicContact CE1-CG2 3.92Å; F141-V143 HydrophobicContact CE2-CG1 3.94Å; F141-V143 HydrophobicContact CZ-CB 4.45Å; F141-V143 HydrophobicContact CZ-CG1 3.38Å; F141-V143 HydrophobicContact CZ-CG2 4.27Å; V143-F145 HydrophobicContact CG2-CE2 4.05Å; V143-F145 HydrophobicContact CG2-CZ 4.41Å; V143-M209 WeakPolarHBondContact O-CA 3.37Å; V143-L210 HydrophobicContact CG2-CB 3.68Å; V143-L210 PolarHBondContact N-O 3.18Å; V143-L210 PolarHBondContact O-N 2.74Å
144R97Very high94Very high17 Ų1742.8 Ų42.86%0.06423%0.225CC..EExtended strand (participates in β ladder)trans-127.6141.8-171.7-63.6165.7-177.386.6-4109.9F21 M77 F78 E132 V207 L208 M209F21-R144 VanDerWaalsContact CE2-NE 3.25Å; F21-R144 VanDerWaalsContact CZ-NE 3.33Å; M77-R144 WeakPolarHBondContact CA-O 3.47Å; M77-R144 HydrophobicContact CG-CB 3.86Å; F78-R144 PolarHBondContact N-O 3.38Å; E132-R144 IonicContact OE1-CZ 2.82Å; E132-R144 IonicContact OE1-NH1 3.79Å; E132-R144 PolarHBondContact OE1-NH1 2.96Å; E132-R144 IonicContact OE1-NH2 3.64Å; E132-R144 PolarHBondContact OE1-NH2 3.38Å; E132-R144 IonicContact OE2-NH2 3.21Å; R144-V207 HydrophobicContact CB-CG1 4.17Å; R144-V207 HydrophobicContact CG-CG1 4.34Å; R144-L208 CarbonylContact C-O 3.59Å; R144-L208 WeakPolarHBondContact CA-O 3.32Å; R144-M209 HydrophobicContact CG-CE 4.12Å; R144-M209 HydrophobicContact CG-CG 4.25Å
145F96.6Very high94.1Very high1 Ų143.3 Ų43.30%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-122.3137.2174.7-51.2-103.5000108.8F78 L80 V143 A147 V166 R185 V187 L208 L210F78-F145 HydrophobicContact CB-CD1 3.51Å; F78-F145 HydrophobicContact CB-CE1 3.93Å; F78-F145 HydrophobicContact CB-CG 4.2Å; F78-F145 HydrophobicContact CD2-CD1 4.28Å; F78-F145 AromaticContact CD2-CE1 3.98Å; F78-F145 HydrophobicContact CD2-CE1 3.98Å; F78-F145 HydrophobicContact CD2-CZ 4.3Å; F78-F145 HydrophobicContact CG-CD1 4.3Å; F78-F145 HydrophobicContact CG-CE1 4.25Å; F78-F145 CarbonylContact O-C 3.48Å; F78-F145 WeakPolarHBondContact O-CA 3.35Å; L80-F145 HydrophobicContact CD2-CB 4.49Å; L80-F145 HydrophobicContact CD2-CD1 4.18Å; V143-F145 HydrophobicContact CG2-CE2 4.05Å; V143-F145 HydrophobicContact CG2-CZ 4.41Å; F145-A147 PolarHBondContact O-N 3.05Å; F145-V166 HydrophobicContact CD1-CB 4.41Å; F145-V166 HydrophobicContact CD1-CG2 4.04Å; F145-V166 HydrophobicContact CD2-CG2 4.1Å; F145-V166 HydrophobicContact CE1-CB 4.31Å; F145-V166 HydrophobicContact CE1-CG2 3.68Å; F145-V166 HydrophobicContact CE2-CG2 3.75Å; F145-V166 HydrophobicContact CG-CG2 4.26Å; F145-V166 HydrophobicContact CZ-CG2 3.54Å; F145-R185 HydrophobicContact CD1-CB 4.14Å; F145-R185 HydrophobicContact CD1-CG 4.19Å; F145-R185 HydrophobicContact CE1-CB 4.05Å; F145-R185 HydrophobicContact CE1-CG 3.96Å; F145-V187 HydrophobicContact CE1-CG2 3.83Å; F145-V187 HydrophobicContact CZ-CG2 3.7Å; F145-L208 HydrophobicContact CB-CB 4.21Å; F145-L208 HydrophobicContact CD2-CD2 4.18Å; F145-L208 PolarHBondContact N-O 3.4Å; F145-L208 PolarHBondContact O-N 3.4Å; F145-L210 HydrophobicContact CE2-CD1 4.1Å
146D95.4Very high94.4Very high70 Ų7041.3 Ų41.337%0.37422%0.22SC..EExtended strand (participates in β ladder)trans-76.1103.4164.9-173.7-6.1000108M77 F78 Q148M77-D146 HydrophobicContact CB-CB 4.44Å; F78-D146 PolarHBondContact O-N 2.87Å; D146-Q148 VanDerWaalsContact OD1-CB 3.3Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.38Å; D146-Q148 PolarHBondContact OD1-N 3.04Å
147A95.8Very high94.7Very high0 Ų038.2 Ų38.20%020%0.204CC..  trans-114.526.8177.500000110.6L80 F145 G149 F150 I155 M202 G206 L208L80-A147 HydrophobicContact CD1-CB 4.37Å; F145-A147 PolarHBondContact O-N 3.05Å; A147-G149 PolarHBondContact O-N 3.13Å; A147-F150 PolarHBondContact O-N 3.02Å; A147-I155 HydrophobicContact CB-CD1 3.83Å; A147-M202 HydrophobicContact CB-CE 3.95Å; A147-M202 WeakPolarHBondContact O-CE 3.25Å; A147-G206 CarbonylContact C-O 3.15Å; A147-G206 VanDerWaalsContact CA-O 3.27Å; A147-G206 WeakPolarHBondContact CA-O 3.43Å; A147-G206 WeakPolarHBondContact CB-O 3.31Å; A147-G206 PolarHBondContact N-O 2.81Å; A147-L208 HydrophobicContact CB-CB 4.02Å
148Q93.3Very high95Very high141 Ų14139.7 Ų39.766%0.65921%0.213SC*.THydrogen-bonded Turntrans-58.1131.9177.3-166.7179.424.300110.7D146 G206D146-Q148 VanDerWaalsContact OD1-CB 3.3Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.38Å; D146-Q148 PolarHBondContact OD1-N 3.04Å; Q148-G206 PolarHBondContact N-O 3.23Å
149G91Very high95Very high50 Ų5035.8 Ų35.852%0.51520%0.197SC..THydrogen-bonded Turntrans84.211.7179.300000115.4A147 K170A147-G149 PolarHBondContact O-N 3.13Å; G149-K170 PolarHBondContact O-NZ 2.82Å
150F93.3Very high94.7Very high28 Ų2837.4 Ų37.412%0.12321%0.206CC..  trans-110.9145.2163.6-61.6-87.1000109.6L80 A147 I155 A168 K170 F183 M202L80-F150 HydrophobicContact CD1-CD2 4.26Å; L80-F150 HydrophobicContact CD1-CE2 4.04Å; L80-F150 HydrophobicContact CD1-CZ 4.48Å; A147-F150 PolarHBondContact O-N 3.02Å; F150-I155 HydrophobicContact CB-CD1 3.97Å; F150-I155 HydrophobicContact CB-CG1 4Å; F150-A168 HydrophobicContact CD1-CB 3.64Å; F150-A168 HydrophobicContact CE1-CB 3.62Å; F150-A168 HydrophobicContact CG-CB 4.18Å; F150-A168 HydrophobicContact CZ-CB 4.17Å; F150-K170 HydrophobicContact CD1-CB 4.36Å; F150-K170 HydrophobicContact CE1-CB 3.84Å; F150-K170 HydrophobicContact CE1-CD 4.3Å; F150-F183 AromaticContact CE1-CD2 3.78Å; F150-F183 HydrophobicContact CE1-CD2 3.78Å; F150-F183 HydrophobicContact CE1-CE2 4.14Å; F150-F183 HydrophobicContact CE1-CG 4.47Å; F150-F183 HydrophobicContact CZ-CB 4.34Å; F150-F183 HydrophobicContact CZ-CD1 4.44Å; F150-F183 AromaticContact CZ-CD2 3.5Å; F150-F183 HydrophobicContact CZ-CD2 3.5Å; F150-F183 VanDerWaalsContact CZ-CD2 3.5Å; F150-F183 AromaticContact CZ-CE2 3.82Å; F150-F183 HydrophobicContact CZ-CE2 3.82Å; F150-F183 AromaticContact CZ-CG 3.86Å; F150-F183 HydrophobicContact CZ-CG 3.86Å; F150-F183 HydrophobicContact CZ-CZ 4.41Å; F150-M202 WeakPolarHBondContact O-CE 3.45Å
151A92Very high94Very high28 Ų2841.6 Ų41.623%0.23123%0.226CC..  trans-87155.3167.300000110.1Q153 D154A151-Q153 VanDerWaalsContact CB-CD 3.44Å; A151-Q153 HydrophobicContact CB-CG 4.39Å; A151-Q153 VanDerWaalsContact CB-NE2 3.32Å; A151-Q153 PolarHBondContact O-N 3.04Å; A151-Q153 VanDerWaalsContact O-N 3.13Å; A151-D154 WeakPolarHBondContact CB-OD2 3.28Å; A151-D154 PolarHBondContact N-OD2 3.02Å; A151-D154 VanDerWaalsContact N-OD2 3.1Å; A151-D154 WeakPolarHBondContact O-CB 3.27Å; A151-D154 PolarHBondContact O-N 3.4Å
152P93.9Very high93.5Very high25 Ų2545 Ų4516%0.16224%0.244CC..G310 helixtrans-52.2-37.3178.7-29.435.4000114.2V14 R16 D154 I155 M202V14-P152 HydrophobicContact CG1-CB 4.01Å; R16-P152 HydrophobicContact CB-CG 4.15Å; R16-P152 HydrophobicContact CG-CG 4.36Å; P152-D154 PolarHBondContact O-N 3.39Å; P152-I155 PolarHBondContact O-N 2.85Å; P152-M202 HydrophobicContact CB-SD 4.38Å; P152-M202 HydrophobicContact CG-SD 3.85Å
153Q93.3Very high93.2Very high153 Ų15347.8 Ų47.872%0.71525%0.254SS*.G310 helixtrans-71.3-15.5178.267.3-87.314.300114.6A151 I155A151-Q153 VanDerWaalsContact CB-CD 3.44Å; A151-Q153 HydrophobicContact CB-CG 4.39Å; A151-Q153 VanDerWaalsContact CB-NE2 3.32Å; A151-Q153 PolarHBondContact O-N 3.04Å; A151-Q153 VanDerWaalsContact O-N 3.13Å; Q153-I155 VanDerWaalsContact C-N 3.3Å
154D93.8Very high93.1Very high66 Ų6647.6 Ų47.635%0.35325%0.253SS..G310 helixtrans-87.1-6.1177.9-58.5-30.8000111.8A151 P152 A168 K169A151-D154 WeakPolarHBondContact CB-OD2 3.28Å; A151-D154 PolarHBondContact N-OD2 3.02Å; A151-D154 VanDerWaalsContact N-OD2 3.1Å; A151-D154 WeakPolarHBondContact O-CB 3.27Å; A151-D154 PolarHBondContact O-N 3.4Å; P152-D154 PolarHBondContact O-N 3.39Å; D154-A168 VanDerWaalsContact O-CA 3.29Å; D154-A168 WeakPolarHBondContact O-CA 3.48Å; D154-K169 WeakPolarHBondContact CB-O 3.48Å; D154-K169 PolarHBondContact O-N 3.43Å
155I96.9Very high93Very high12 Ų1248 Ų486%0.06226%0.257CS..EExtended strand (participates in β ladder)trans-111.7128.2-175.6-56.4175.5000109.5V14 A147 F150 P152 Q153 V157 V166 H167 A168 M202 L208V14-I155 HydrophobicContact CG2-CB 4.43Å; V14-I155 HydrophobicContact CG2-CG2 4.21Å; A147-I155 HydrophobicContact CB-CD1 3.83Å; F150-I155 HydrophobicContact CB-CD1 3.97Å; F150-I155 HydrophobicContact CB-CG1 4Å; P152-I155 PolarHBondContact O-N 2.85Å; Q153-I155 VanDerWaalsContact C-N 3.3Å; I155-V157 HydrophobicContact CG2-CG2 4.08Å; I155-V166 HydrophobicContact CG2-CG1 3.86Å; I155-H167 CarbonylContact C-O 3.56Å; I155-H167 WeakPolarHBondContact CA-O 3.37Å; I155-A168 HydrophobicContact CG1-CB 4.1Å; I155-M202 HydrophobicContact CD1-CE 4.02Å; I155-M202 HydrophobicContact CD1-SD 3.75Å; I155-L208 HydrophobicContact CD1-CD1 4.42Å; I155-L208 HydrophobicContact CG2-CD2 4.03Å
156N96.6Very high92.9Very high76 Ų7647.9 Ų47.941%0.40626%0.257SS..EExtended strand (participates in β ladder)trans-112.7121.6170.1-175.215.2000109.9H167N156-H167 PolarHBondContact N-O 2.92Å; N156-H167 PolarHBondContact O-N 3.16Å
157V97.5Very high92.9Very high1 Ų147 Ų471%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-107.5126.5175.3-179.40000108.6I12 V14 I155 V164 T165 V166 L208 L210I12-V157 HydrophobicContact CB-CB 4.24Å; I12-V157 HydrophobicContact CB-CG1 3.93Å; I12-V157 HydrophobicContact CD1-CG1 4.03Å; I12-V157 HydrophobicContact CG1-CG1 4.45Å; I12-V157 PolarHBondContact N-O 2.94Å; V14-V157 HydrophobicContact CG2-CG2 3.72Å; I155-V157 HydrophobicContact CG2-CG2 4.08Å; V157-V164 HydrophobicContact CG1-CG1 3.87Å; V157-T165 WeakPolarHBondContact CA-O 3.42Å; V157-V166 HydrophobicContact CG2-CG2 4.37Å; V157-L208 HydrophobicContact CG2-CD2 4.1Å; V157-L210 HydrophobicContact CG1-CD1 3.76Å; V157-L210 HydrophobicContact CG1-CD2 4.44Å
158T95.9Very high92.9Very high31 Ų3147 Ų4719%0.1925%0.25CS..EExtended strand (participates in β ladder)trans-129.8142.1176.855.90000111.4V10 V164 T165V10-T158 CarbonylContact O-C 3.56Å; V10-T158 VanDerWaalsContact O-CA 3.27Å; V10-T158 WeakPolarHBondContact O-CA 3.33Å; T158-V164 CarbonylContact O-C 3.51Å; T158-V164 VanDerWaalsContact O-CA 3.31Å; T158-V164 WeakPolarHBondContact O-CA 3.1Å; T158-T165 PolarHBondContact N-O 2.95Å; T158-T165 PolarHBondContact O-N 3Å
159S93.3Very high92.9Very high11 Ų1144.2 Ų44.28%0.07724%0.236CC..EExtended strand (participates in β ladder)trans-110.7134.9170.9-178.60000109.9A9 V10 R163A9-S159 CarbonylContact C-O 3.55Å; A9-S159 WeakPolarHBondContact CA-O 3.5Å; V10-S159 PolarHBondContact N-O 3.49Å; V10-S159 PolarHBondContact O-N 3.32Å; S159-R163 WeakPolarHBondContact CA-O 3.35Å
160N88.8Confident92.8Very high37 Ų3745.5 Ų45.520%0.19823%0.227CC..EExtended strand (participates in β ladder)trans-148.9136.6173.3-169.7-3.2000110.3H7 A9 N162 R163H7-N160 WeakPolarHBondContact CB-OD1 3.44Å; H7-N160 PolarHBondContact O-ND2 3.01Å; H7-N160 VanDerWaalsContact O-ND2 3.14Å; A9-N160 HydrophobicContact CB-CB 4.17Å; N160-N162 PolarHBondContact O-N 3.45Å; N160-R163 PolarHBondContact N-O 3.27Å; N160-R163 VanDerWaalsContact O-CG 3.23Å; N160-R163 WeakPolarHBondContact O-CG 3.34Å; N160-R163 PolarHBondContact O-N 2.87Å
161E80Confident92.6Very high112 Ų11249.6 Ų49.652%0.52325%0.247SC..THydrogen-bonded Turntrans55.2-88.9-179.2-70160.5-17400112.3H7H7-E161 HydrophobicContact CB-CG 4.38Å
162N86.6Confident92.2Very high71 Ų7150.7 Ų50.738%0.3825%0.251SS..THydrogen-bonded Turntrans-140.835.1178.9-57.6-55.7000110.3N160 Q188 L189N160-N162 PolarHBondContact O-N 3.45Å; N162-Q188 CarbonylContact O-C 3.56Å; N162-Q188 WeakPolarHBondContact O-CA 3.34Å; N162-L189 PolarHBondContact O-N 3.07Å
163R90.7Very high91.9Very high67 Ų6754 Ų5425%0.25327%0.271SS..EExtended strand (participates in β ladder)trans-144150.3178.159.6174165.9-162-9.3112.3F95 S159 N160 V187F95-R163 HydrophobicContact CZ-CB 4.02Å; S159-R163 WeakPolarHBondContact CA-O 3.35Å; N160-R163 PolarHBondContact N-O 3.27Å; N160-R163 VanDerWaalsContact O-CG 3.23Å; N160-R163 WeakPolarHBondContact O-CG 3.34Å; N160-R163 PolarHBondContact O-N 2.87Å; R163-V187 CarbonylContact C-O 3.6Å; R163-V187 WeakPolarHBondContact CA-O 3.43Å; R163-V187 WeakPolarHBondContact CB-O 3.34Å
164V94Very high91.7Very high2 Ų251 Ų511%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-106.9137.1165.4166.80000109.2V157 T158 V166 M186 V187 L189 L198 L210V157-V164 HydrophobicContact CG1-CG1 3.87Å; T158-V164 CarbonylContact O-C 3.51Å; T158-V164 VanDerWaalsContact O-CA 3.31Å; T158-V164 WeakPolarHBondContact O-CA 3.1Å; V164-V166 HydrophobicContact CG1-CG2 4.21Å; V164-M186 CarbonylContact O-C 3.55Å; V164-M186 VanDerWaalsContact O-CA 3.28Å; V164-M186 WeakPolarHBondContact O-CA 3.31Å; V164-V187 PolarHBondContact N-O 3.36Å; V164-V187 PolarHBondContact O-N 2.86Å; V164-L189 HydrophobicContact CB-CD2 4.42Å; V164-L189 HydrophobicContact CG2-CD1 3.87Å; V164-L189 HydrophobicContact CG2-CD2 3.85Å; V164-L189 HydrophobicContact CG2-CG 4.16Å; V164-L198 HydrophobicContact CG2-CD1 4.02Å; V164-L210 HydrophobicContact CB-CD2 4.09Å; V164-L210 HydrophobicContact CG1-CD1 4.15Å; V164-L210 HydrophobicContact CG1-CD2 3.69Å; V164-L210 HydrophobicContact CG2-CD2 3.53Å
165T93.7Very high91.5Very high25 Ų2555.4 Ų55.415%0.15329%0.287CS..EExtended strand (participates in β ladder)trans-114.1122.7170.5-54.50000108.9V157 T158 M186V157-T165 WeakPolarHBondContact CA-O 3.42Å; T158-T165 PolarHBondContact N-O 2.95Å; T158-T165 PolarHBondContact O-N 3Å; T165-M186 HydrophobicContact CG2-CE 4.13Å; T165-M186 HydrophobicContact CG2-CG 4.02Å
166V96.1Very high91.1Very high0 Ų058.3 Ų58.30%032%0.319CS..EExtended strand (participates in β ladder)trans-102.3109.9169.5-176.70000107.4L80 F145 I155 V157 V164 C184 R185 L208L80-V166 HydrophobicContact CD1-CG1 4.46Å; L80-V166 HydrophobicContact CD2-CB 4.04Å; L80-V166 HydrophobicContact CD2-CG1 3.66Å; F145-V166 HydrophobicContact CD1-CB 4.41Å; F145-V166 HydrophobicContact CD1-CG2 4.04Å; F145-V166 HydrophobicContact CD2-CG2 4.1Å; F145-V166 HydrophobicContact CE1-CB 4.31Å; F145-V166 HydrophobicContact CE1-CG2 3.68Å; F145-V166 HydrophobicContact CE2-CG2 3.75Å; F145-V166 HydrophobicContact CG-CG2 4.26Å; F145-V166 HydrophobicContact CZ-CG2 3.54Å; I155-V166 HydrophobicContact CG2-CG1 3.86Å; V157-V166 HydrophobicContact CG2-CG2 4.37Å; V164-V166 HydrophobicContact CG1-CG2 4.21Å; V166-C184 CarbonylContact O-C 3.55Å; V166-C184 VanDerWaalsContact O-CA 3.27Å; V166-C184 WeakPolarHBondContact O-CA 3.38Å; V166-R185 PolarHBondContact N-O 2.93Å; V166-R185 PolarHBondContact O-N 3.5Å; V166-L208 HydrophobicContact CG1-CD2 3.55Å; V166-L208 HydrophobicContact CG2-CD2 4.11Å
167H94.8Very high90.5Very high52 Ų5264.4 Ų64.424%0.24134%0.337CS..EExtended strand (participates in β ladder)trans-107.9135.8175178.6-92.7000109L83 I155 N156 E182 F183L83-H167 VanDerWaalsContact CD1-CD2 3.42Å; L83-H167 WeakPolarHBondContact CD1-CD2 3.18Å; L83-H167 WeakPolarHBondContact CD1-NE2 3.41Å; I155-H167 CarbonylContact C-O 3.56Å; I155-H167 WeakPolarHBondContact CA-O 3.37Å; N156-H167 PolarHBondContact N-O 2.92Å; N156-H167 PolarHBondContact O-N 3.16Å; H167-E182 IonicContact CD2-OE2 3.99Å; H167-E182 IonicContact CE1-OE2 3.42Å; H167-E182 PolarHBondContact CE1-OE2 2.94Å; H167-E182 IonicContact NE2-OE2 2.78Å; H167-E182 PolarHBondContact NE2-OE2 2.76Å; H167-F183 CarbonylContact C-O 3.56Å; H167-F183 WeakPolarHBondContact CA-O 3.43Å
168A95.8Very high90Very high0 Ų072.1 Ų72.10%037%0.37CS..EExtended strand (participates in β ladder)trans-134.1138.9175.500000110.5L80 F150 D154 I155 E182 F183L80-A168 HydrophobicContact CD1-CB 3.77Å; F150-A168 HydrophobicContact CD1-CB 3.64Å; F150-A168 HydrophobicContact CE1-CB 3.62Å; F150-A168 HydrophobicContact CG-CB 4.18Å; F150-A168 HydrophobicContact CZ-CB 4.17Å; D154-A168 VanDerWaalsContact O-CA 3.29Å; D154-A168 WeakPolarHBondContact O-CA 3.48Å; I155-A168 HydrophobicContact CG1-CB 4.1Å; A168-E182 CarbonylContact O-C 3.53Å; A168-E182 WeakPolarHBondContact O-CA 3.43Å; A168-F183 PolarHBondContact N-O 2.87Å; A168-F183 PolarHBondContact O-N 2.85Å
169K92.9Very high89.6Confident81 Ų8173.1 Ų73.135%0.35238%0.378SS..EExtended strand (participates in β ladder)trans-116.8128.1177.5-173.5-174.8-173-154.80110D154 E171 S180 E182D154-K169 WeakPolarHBondContact CB-O 3.48Å; D154-K169 PolarHBondContact O-N 3.43Å; K169-E171 WeakPolarHBondContact CE-OE1 3.48Å; K169-E171 IonicContact NZ-OE1 2.75Å; K169-E171 PolarHBondContact NZ-OE1 2.85Å; K169-S180 WeakPolarHBondContact CE-OG 3.26Å; K169-E182 HydrophobicContact CB-CG 4.41Å; K169-E182 HydrophobicContact CG-CG 4.09Å
170K89.6Confident89.3Confident78 Ų7875.4 Ų75.434%0.33939%0.393SS..EExtended strand (participates in β ladder)trans-119.7119177.5-172165.5-174.7152.80110.6G149 F150 T172 S180 R181 F183G149-K170 PolarHBondContact O-NZ 2.82Å; F150-K170 HydrophobicContact CD1-CB 4.36Å; F150-K170 HydrophobicContact CE1-CB 3.84Å; F150-K170 HydrophobicContact CE1-CD 4.3Å; K170-T172 HydrophobicContact CG-CG2 4.19Å; K170-S180 CarbonylContact O-C 3.6Å; K170-S180 WeakPolarHBondContact O-CA 3.34Å; K170-R181 PolarHBondContact N-O 2.81Å; K170-R181 PolarHBondContact O-N 3.41Å; K170-F183 HydrophobicContact CB-CE2 4.38Å
171E88.6Confident89.4Confident113 Ų11380.8 Ų80.853%0.52841%0.411SS..EExtended strand (participates in β ladder)trans-101.1119.9170.9-67.9-174.2-171.300109.9K169 C179K169-E171 WeakPolarHBondContact CE-OE1 3.48Å; K169-E171 IonicContact NZ-OE1 2.75Å; K169-E171 PolarHBondContact NZ-OE1 2.85Å; E171-C179 CarbonylContact C-O 3.57Å; E171-C179 WeakPolarHBondContact CA-O 3.46Å
172T84.4Confident89.9Confident52 Ų5279.4 Ų79.432%0.31940%0.404SS..EExtended strand (participates in β ladder)trans-114.8134.6173.755.70000109.6K170 C179K170-T172 HydrophobicContact CG-CG2 4.19Å; T172-C179 PolarHBondContact N-O 3.12Å; T172-C179 PolarHBondContact O-N 3.07Å; T172-C179 PolarHBondContact OG1-O 2.83Å
173T87.5Confident90.2Very high94 Ų9477.8 Ų77.858%0.57739%0.394SS*.EExtended strand (participates in β ladder)trans-105.4121.4172.3-55.90000109.1R177T173-R177 WeakPolarHBondContact CA-O 3.12Å
174T87.7Confident90.3Very high91 Ų9174.9 Ų74.956%0.55838%0.384SS*.EExtended strand (participates in β ladder)trans-132.9126.7176.5-52.20000108.2G176 R177T174-G176 PolarHBondContact O-N 3.3Å; T174-R177 PolarHBondContact N-O 2.92Å; T174-R177 PolarHBondContact O-N 3.34Å
175D90.1Very high90.1Very high158 Ų15874.8 Ų74.885%0.84538%0.383SS*.THydrogen-bonded Turntrans5040.3-177.8-54.9-27.6000114.2R177D175-R177 PolarHBondContact O-N 3.14Å
176G88.3Confident90Very high72 Ų7275 Ų7574%0.74238%0.383SS*.THydrogen-bonded Turntrans74.7-3.1-178.500000115T174T174-G176 PolarHBondContact O-N 3.3Å
177R84.2Confident89.7Confident205 Ų20575.1 Ų75.177%0.77438%0.384SS*.EExtended strand (participates in β ladder)trans-92.7127.6173-59.3-175.8-161.8164.76.9109.9T173 T174 D175T173-R177 WeakPolarHBondContact CA-O 3.12Å; T174-R177 PolarHBondContact N-O 2.92Å; T174-R177 PolarHBondContact O-N 3.34Å; D175-R177 PolarHBondContact O-N 3.14Å
178K87.8Confident89.4Confident162 Ų16275 Ų7570%0.70438%0.384SS*.EExtended strand (participates in β ladder)trans-84.9126.2170.5-65.3-173.7176.6-1720109.1
179C85.8Confident89.2Confident53 Ų5375.3 Ų75.336%0.35839%0.385SS..EExtended strand (participates in β ladder)trans-113.6123.7169.3-176.90000108E171 T172E171-C179 CarbonylContact C-O 3.57Å; E171-C179 WeakPolarHBondContact CA-O 3.46Å; T172-C179 PolarHBondContact N-O 3.12Å; T172-C179 PolarHBondContact O-N 3.07Å; T172-C179 PolarHBondContact OG1-O 2.83Å
180S88.4Confident89.1Confident58 Ų5871.8 Ų71.841%0.40637%0.371SS..EExtended strand (participates in β ladder)trans-103127.51711790000108.4K169 K170K169-S180 WeakPolarHBondContact CE-OG 3.26Å; K170-S180 CarbonylContact O-C 3.6Å; K170-S180 WeakPolarHBondContact O-CA 3.34Å
181R89.2Confident89.1Confident151 Ų15175 Ų7557%0.5739%0.385SS*.EExtended strand (participates in β ladder)trans-121.2139.3170.6-70.9-178.8-177.8154.20.8109K170 F183K170-R181 PolarHBondContact N-O 2.81Å; K170-R181 PolarHBondContact O-N 3.41Å; R181-F183 HydrophobicContact CB-CE2 3.76Å; R181-F183 HydrophobicContact CB-CZ 4.28Å
182E91.8Very high89.2Confident82 Ų8270.3 Ų70.338%0.38336%0.364SS..EExtended strand (participates in β ladder)trans-113.1146.3176.1-62.6-176.5-161.700109.6L83 H167 A168 K169L83-E182 HydrophobicContact CB-CB 4.02Å; L83-E182 HydrophobicContact CD1-CB 3.42Å; L83-E182 VanDerWaalsContact CD1-CB 3.42Å; L83-E182 HydrophobicContact CG-CB 4.33Å; L83-E182 PolarHBondContact N-O 2.96Å; H167-E182 IonicContact CD2-OE2 3.99Å; H167-E182 IonicContact CE1-OE2 3.42Å; H167-E182 PolarHBondContact CE1-OE2 2.94Å; H167-E182 IonicContact NE2-OE2 2.78Å; H167-E182 PolarHBondContact NE2-OE2 2.76Å; A168-E182 CarbonylContact O-C 3.53Å; A168-E182 WeakPolarHBondContact O-CA 3.43Å; K169-E182 HydrophobicContact CB-CG 4.41Å; K169-E182 HydrophobicContact CG-CG 4.09Å
183F92.6Very high89.6Confident37 Ų3767.9 Ų67.916%0.16235%0.349CS..EExtended strand (participates in β ladder)trans-130.9146.6-179.6-59.5-105.6000109.1L80 L81 P82 F150 H167 A168 K170 R181L80-F183 HydrophobicContact CB-CB 3.77Å; L81-F183 CarbonylContact O-C 3.44Å; L81-F183 WeakPolarHBondContact O-CA 3.42Å; P82-F183 HydrophobicContact CB-CD1 4.4Å; P82-F183 HydrophobicContact CB-CE1 4.35Å; P82-F183 HydrophobicContact CG-CD1 4.05Å; P82-F183 HydrophobicContact CG-CE1 3.82Å; F150-F183 AromaticContact CE1-CD2 3.78Å; F150-F183 HydrophobicContact CE1-CD2 3.78Å; F150-F183 HydrophobicContact CE1-CE2 4.14Å; F150-F183 HydrophobicContact CE1-CG 4.47Å; F150-F183 HydrophobicContact CZ-CB 4.34Å; F150-F183 HydrophobicContact CZ-CD1 4.44Å; F150-F183 AromaticContact CZ-CD2 3.5Å; F150-F183 HydrophobicContact CZ-CD2 3.5Å; F150-F183 VanDerWaalsContact CZ-CD2 3.5Å; F150-F183 AromaticContact CZ-CE2 3.82Å; F150-F183 HydrophobicContact CZ-CE2 3.82Å; F150-F183 AromaticContact CZ-CG 3.86Å; F150-F183 HydrophobicContact CZ-CG 3.86Å; F150-F183 HydrophobicContact CZ-CZ 4.41Å; H167-F183 CarbonylContact C-O 3.56Å; H167-F183 WeakPolarHBondContact CA-O 3.43Å; A168-F183 PolarHBondContact N-O 2.87Å; A168-F183 PolarHBondContact O-N 2.85Å; K170-F183 HydrophobicContact CB-CE2 4.38Å; R181-F183 HydrophobicContact CB-CE2 3.76Å; R181-F183 HydrophobicContact CB-CZ 4.28Å
184C91.8Very high89.8Confident6 Ų665 Ų654%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-143.4143.6-177.6-174.80000110.9L81 L83 V166L81-C184 PolarHBondContact N-O 3.45Å; L81-C184 PolarHBondContact O-N 2.89Å; L83-C184 HydrophobicContact CD1-CB 3.92Å; L83-C184 HydrophobicContact CD2-CB 4.12Å; L83-C184 HydrophobicContact CG-CB 3.77Å; V166-C184 CarbonylContact O-C 3.55Å; V166-C184 VanDerWaalsContact O-CA 3.27Å; V166-C184 WeakPolarHBondContact O-CA 3.38Å
185R91.6Very high90Very high0 Ų063.6 Ų63.60%032%0.319CS..EExtended strand (participates in β ladder)trans-140.6140.2162.9-165.471.6168.5-179.26.7109.3F78 A79 L80 D102 T120 G121 F145 V166F78-R185 HydrophobicContact CB-CG 4.06Å; F78-R185 HydrophobicContact CG-CG 4.42Å; A79-R185 VanDerWaalsContact O-CD 3.3Å; A79-R185 WeakPolarHBondContact O-CD 3.42Å; L80-R185 HydrophobicContact CD2-CB 3.86Å; D102-R185 VanDerWaalsContact CG-NH2 3.27Å; D102-R185 IonicContact OD1-CZ 3.27Å; D102-R185 IonicContact OD1-NH1 3.65Å; D102-R185 PolarHBondContact OD1-NH1 3.34Å; D102-R185 IonicContact OD1-NH2 2.66Å; D102-R185 PolarHBondContact OD1-NH2 3.46Å; D102-R185 IonicContact OD2-CZ 3.36Å; D102-R185 IonicContact OD2-NH1 3.53Å; D102-R185 IonicContact OD2-NH2 3.08Å; D102-R185 PolarHBondContact OD2-NH2 3.49Å; T120-R185 PolarHBondContact O-NH2 3.14Å; G121-R185 PolarHBondContact O-NH2 3.31Å; F145-R185 HydrophobicContact CD1-CB 4.14Å; F145-R185 HydrophobicContact CD1-CG 4.19Å; F145-R185 HydrophobicContact CE1-CB 4.05Å; F145-R185 HydrophobicContact CE1-CG 3.96Å; V166-R185 PolarHBondContact N-O 2.93Å; V166-R185 PolarHBondContact O-N 3.5Å
186M91.1Very high90.1Very high31 Ų3160.8 Ų60.815%0.15331%0.312CS..EExtended strand (participates in β ladder)trans-118.8141.7176.8-66.5175.3-164.700109.4P94 F95 M98 V164 T165P94-M186 HydrophobicContact CB-CE 4.23Å; P94-M186 HydrophobicContact CB-SD 3.73Å; P94-M186 HydrophobicContact CG-SD 3.84Å; F95-M186 HydrophobicContact CE1-CB 3.96Å; F95-M186 HydrophobicContact CZ-CB 4.17Å; M98-M186 HydrophobicContact CE-CB 3.69Å; M98-M186 HydrophobicContact CE-CG 3.72Å; M98-M186 VanDerWaalsContact CE-N 3.35Å; M98-M186 HydrophobicContact CE-SD 4.17Å; M98-M186 HydrophobicContact SD-CB 3.85Å; M98-M186 PolarHBondContact SD-N 3.34Å; V164-M186 CarbonylContact O-C 3.55Å; V164-M186 VanDerWaalsContact O-CA 3.28Å; V164-M186 WeakPolarHBondContact O-CA 3.31Å; T165-M186 HydrophobicContact CG2-CE 4.13Å; T165-M186 HydrophobicContact CG2-CG 4.02Å
187V89.9Confident90.4Very high2 Ų261.8 Ų61.81%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-129.8130.3176.1-179.50000107.9F78 F126 F145 R163 V164F78-V187 HydrophobicContact CD2-CG2 3.87Å; F78-V187 HydrophobicContact CE2-CG1 4.33Å; F78-V187 HydrophobicContact CE2-CG2 3.55Å; F78-V187 HydrophobicContact CZ-CG2 3.96Å; F126-V187 HydrophobicContact CD2-CG1 4.39Å; F126-V187 HydrophobicContact CE1-CG1 4.08Å; F126-V187 HydrophobicContact CE2-CG1 3.69Å; F126-V187 HydrophobicContact CZ-CG1 3.51Å; F145-V187 HydrophobicContact CE1-CG2 3.83Å; F145-V187 HydrophobicContact CZ-CG2 3.7Å; R163-V187 CarbonylContact C-O 3.6Å; R163-V187 WeakPolarHBondContact CA-O 3.43Å; R163-V187 WeakPolarHBondContact CB-O 3.34Å; V164-V187 PolarHBondContact N-O 3.36Å; V164-V187 PolarHBondContact O-N 2.86Å
188Q89Confident90.9Very high50 Ų5052.9 Ų52.923%0.23427%0.265CS..EExtended strand (participates in β ladder)trans-78.2131.7172.2-168.1164.5-27.100109F95 F126 N162F95-Q188 HydrophobicContact CE1-CB 4.07Å; F95-Q188 HydrophobicContact CZ-CB 3.9Å; F126-Q188 WeakPolarHBondContact CZ-O 2.99Å; N162-Q188 CarbonylContact O-C 3.56Å; N162-Q188 WeakPolarHBondContact O-CA 3.34Å
189L91.2Very high91.4Very high5 Ų551.1 Ų51.13%0.02626%0.257CS..PPolyproline II helixtrans-90.3128.6-178.2-62.5178.3000109.7F141 N162 V164 I193 D195 L198F141-L189 HydrophobicContact CE1-CD2 4Å; F141-L189 HydrophobicContact CZ-CD2 4.26Å; N162-L189 PolarHBondContact O-N 3.07Å; V164-L189 HydrophobicContact CB-CD2 4.42Å; V164-L189 HydrophobicContact CG2-CD1 3.87Å; V164-L189 HydrophobicContact CG2-CD2 3.85Å; V164-L189 HydrophobicContact CG2-CG 4.16Å; L189-I193 HydrophobicContact CB-CD1 3.71Å; L189-I193 HydrophobicContact CB-CG1 4.46Å; L189-I193 HydrophobicContact CD1-CD1 4.02Å; L189-I193 HydrophobicContact CD2-CD1 3.63Å; L189-I193 HydrophobicContact CG-CD1 3.96Å; L189-D195 HydrophobicContact CD1-CB 4.28Å; L189-L198 HydrophobicContact CD1-CD1 3.78Å
190P90.4Very high92Very high8 Ų848.7 Ų48.75%0.05224%0.241CC..PPolyproline II helixtrans-63.9148.4172.1-22.434.8000111.9L127 Y131 F141 S192 I193 D327L127-P190 HydrophobicContact CD2-CG 3.38Å; Y131-P190 WeakPolarHBondContact OH-CB 3.49Å; Y131-P190 WeakPolarHBondContact OH-CG 3.49Å; F141-P190 HydrophobicContact CE2-CG 4.15Å; P190-S192 PolarHBondContact O-N 3.47Å; P190-I193 HydrophobicContact CB-CG2 4.28Å; P190-I193 HydrophobicContact CG-CG2 4.43Å; P190-I193 WeakPolarHBondContact O-CG1 3.45Å; P190-I193 PolarHBondContact O-N 3.08Å; P190-D327 HydrophobicContact CB-CB 4.28Å; P190-D327 WeakPolarHBondContact CB-OD2 3.29Å
191K89.1Confident92.4Very high146 Ų14647 Ų4764%0.63523%0.225SC*.THydrogen-bonded Turntrans-64.1-21.3176.7-66.7180-178.3174.20113.7I193K191-I193 PolarHBondContact O-N 2.76Å
192S90.7Very high92.8Very high13 Ų1340 Ų409%0.09120%0.2CC..THydrogen-bonded Turntrans-74.7-2178.961.60000113.9Y131 P190 V214 K215 D327Y131-S192 PolarHBondContact OH-OG 2.96Å; P190-S192 PolarHBondContact O-N 3.47Å; S192-V214 CarbonylContact O-C 3.53Å; S192-V214 WeakPolarHBondContact O-CA 3.25Å; S192-K215 WeakPolarHBondContact O-CB 3.15Å; S192-K215 PolarHBondContact O-N 2.8Å; S192-D327 WeakPolarHBondContact CB-OD2 3.41Å; S192-D327 PolarHBondContact OG-OD1 3.04Å; S192-D327 PolarHBondContact OG-OD2 2.82Å
193I93Very high93.1Very high2 Ų236.4 Ų36.41%0.0118%0.183CC..BIsolated β-bridgetrans-97.4148.3177.583.7176.9000111.4Y131 F141 L189 P190 K191 D195 L198 K215Y131-I193 HydrophobicContact CE1-CG2 4.44Å; F141-I193 HydrophobicContact CB-CB 4.34Å; F141-I193 HydrophobicContact CB-CG2 3.67Å; F141-I193 HydrophobicContact CD1-CD1 4.01Å; F141-I193 HydrophobicContact CD1-CG2 4.26Å; F141-I193 HydrophobicContact CD2-CG2 3.81Å; F141-I193 HydrophobicContact CE1-CD1 4.12Å; F141-I193 HydrophobicContact CE2-CG2 4.46Å; F141-I193 HydrophobicContact CG-CD1 4.45Å; F141-I193 HydrophobicContact CG-CG2 3.66Å; L189-I193 HydrophobicContact CB-CD1 3.71Å; L189-I193 HydrophobicContact CB-CG1 4.46Å; L189-I193 HydrophobicContact CD1-CD1 4.02Å; L189-I193 HydrophobicContact CD2-CD1 3.63Å; L189-I193 HydrophobicContact CG-CD1 3.96Å; P190-I193 HydrophobicContact CB-CG2 4.28Å; P190-I193 HydrophobicContact CG-CG2 4.43Å; P190-I193 WeakPolarHBondContact O-CG1 3.45Å; P190-I193 PolarHBondContact O-N 3.08Å; K191-I193 PolarHBondContact O-N 2.76Å; I193-D195 HydrophobicContact CG1-CB 4.33Å; I193-D195 PolarHBondContact O-N 2.93Å; I193-L198 HydrophobicContact CD1-CD2 4.26Å; I193-K215 WeakPolarHBondContact O-CD 3.5Å; I193-K215 VanDerWaalsContact O-CE 3.23Å; I193-K215 WeakPolarHBondContact O-CE 3.38Å; I193-K215 PolarHBondContact O-NZ 3.21Å
194D93Very high93.2Very high32 Ų3238.3 Ų38.317%0.17120%0.195CC..  trans-83.883.2166.2-169.41.4000110.5S196 Q197 P213 K215D194-S196 PolarHBondContact O-N 3.09Å; D194-S196 WeakPolarHBondContact OD1-CB 3.36Å; D194-S196 PolarHBondContact OD1-N 3.18Å; D194-S196 PolarHBondContact OD1-OG 3.18Å; D194-Q197 PolarHBondContact O-N 3.25Å; D194-Q197 PolarHBondContact OD2-NE2 2.81Å; D194-P213 PolarHBondContact N-O 2.95Å; D194-K215 HydrophobicContact CB-CG 4.27Å
195D91.1Very high93.4Very high62 Ų6240.3 Ų40.333%0.33221%0.205SC..G310 helixtrans-58.5-24.8-179.861.9-44.2000113.5L189 I193 Q197 L198 K215L189-D195 HydrophobicContact CD1-CB 4.28Å; I193-D195 HydrophobicContact CG1-CB 4.33Å; I193-D195 PolarHBondContact O-N 2.93Å; D195-Q197 PolarHBondContact O-N 2.91Å; D195-L198 HydrophobicContact CB-CD1 4.16Å; D195-L198 WeakPolarHBondContact O-CD1 3.36Å; D195-L198 WeakPolarHBondContact O-CG 3.44Å; D195-L198 PolarHBondContact O-N 2.77Å; D195-K215 IonicContact OD1-NZ 3.12Å; D195-K215 PolarHBondContact OD1-NZ 2.89Å
196S91.4Very high93.7Very high100 Ų10040.6 Ų40.670%0.69921%0.208SC*.G310 helixtrans-68.2-19.5174.578.30000113.5D194D194-S196 PolarHBondContact O-N 3.09Å; D194-S196 WeakPolarHBondContact OD1-CB 3.36Å; D194-S196 PolarHBondContact OD1-N 3.18Å; D194-S196 PolarHBondContact OD1-OG 3.18Å
197Q94.5Very high94Very high92 Ų9239.2 Ų39.243%0.4320%0.202SC..G310 helixtrans-108.117.8-179.5-66.9-163.958.600113.1D194 D195 K199 P213D194-Q197 PolarHBondContact O-N 3.25Å; D194-Q197 PolarHBondContact OD2-NE2 2.81Å; D195-Q197 PolarHBondContact O-N 2.91Å; Q197-K199 PolarHBondContact O-N 2.78Å; Q197-P213 HydrophobicContact CB-CG 4.22Å
198L96.2Very high94.4Very high18 Ų1839.1 Ų39.19%0.09420%0.201CC..  trans-59.1126.6175-74163.1000110.8I12 V164 L189 I193 D195 L210 E211 A212I12-L198 HydrophobicContact CD1-CB 3.71Å; I12-L198 HydrophobicContact CD1-CD1 4.07Å; V164-L198 HydrophobicContact CG2-CD1 4.02Å; L189-L198 HydrophobicContact CD1-CD1 3.78Å; I193-L198 HydrophobicContact CD1-CD2 4.26Å; D195-L198 HydrophobicContact CB-CD1 4.16Å; D195-L198 WeakPolarHBondContact O-CD1 3.36Å; D195-L198 WeakPolarHBondContact O-CG 3.44Å; D195-L198 PolarHBondContact O-N 2.77Å; L198-L210 HydrophobicContact CD2-CD2 3.93Å; L198-E211 WeakPolarHBondContact CA-O 3.21Å; L198-A212 HydrophobicContact CD2-CB 3.58Å; L198-A212 HydrophobicContact CG-CB 4.13Å
199K97Very high94.8Very high126 Ų12636.9 Ų36.955%0.54819%0.191SC..EExtended strand (participates in β ladder)trans-118.1146.5173.1-64.7175.3-170.6172.90109.1Q197 L210 E211Q197-K199 PolarHBondContact O-N 2.78Å; K199-L210 WeakPolarHBondContact O-CA 3.27Å; K199-E211 HydrophobicContact CB-CG 4.16Å; K199-E211 PolarHBondContact N-O 3.15Å; K199-E211 PolarHBondContact O-N 3.42Å
200C97.9Very high95.1Very high1 Ų136.7 Ų36.71%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-124.2135.3175-167.30000110.9I12 N15 L208 M209 L210I12-C200 HydrophobicContact CG2-CB 3.67Å; N15-C200 PolarHBondContact N-O 2.91Å; N15-C200 VanDerWaalsContact N-O 3.08Å; N15-C200 PolarHBondContact ND2-O 3.48Å; C200-L208 WeakPolarHBondContact SG-CD1 3.21Å; C200-M209 WeakPolarHBondContact CA-O 3.39Å; C200-M209 PolarHBondContact SG-O 2.95Å; C200-L210 HydrophobicContact CB-CD1 4.22Å; C200-L210 HydrophobicContact CB-CG 4.39Å
201R97.3Very high95.4Very high22 Ų2237.7 Ų37.78%0.08319%0.193CC..EExtended strand (participates in β ladder)trans-137.4149.2177.149.7178159.9175.1-4.9111N15 E17 E135 L208 M209 E211N15-R201 CarbonylContact O-C 3.55Å; N15-R201 WeakPolarHBondContact O-CA 3.49Å; E17-R201 HydrophobicContact CG-CB 4.24Å; E17-R201 WeakPolarHBondContact OE1-CD 3.47Å; E17-R201 IonicContact OE1-CZ 2.99Å; E17-R201 IonicContact OE1-NE 3.94Å; E17-R201 IonicContact OE1-NH1 3.36Å; E17-R201 PolarHBondContact OE1-NH1 2.97Å; E17-R201 IonicContact OE2-NH1 2.8Å; E135-R201 IonicContact OE1-NH1 3.75Å; R201-L208 CarbonylContact O-C 3.42Å; R201-L208 WeakPolarHBondContact O-CA 3.49Å; R201-M209 HydrophobicContact CG-CB 4.09Å; R201-M209 PolarHBondContact N-O 3.3Å; R201-M209 PolarHBondContact O-N 3.32Å; R201-E211 IonicContact CZ-OE1 3.15Å; R201-E211 IonicContact CZ-OE2 3.4Å; R201-E211 IonicContact NE-OE1 3.3Å; R201-E211 PolarHBondContact NE-OE1 3.37Å; R201-E211 IonicContact NE-OE2 2.74Å; R201-E211 IonicContact NH2-OE1 3.97Å; R201-E211 PolarHBondContact NH2-OE1 2.93Å; R201-E211 VanDerWaalsContact NH2-OE1 3.08Å; R201-E211 IonicContact NH2-OE2 3.33Å; R201-E211 PolarHBondContact NH2-OE2 3.18Å
202M97.9Very high95.8Very high6 Ų630.8 Ų30.83%0.0316%0.164CC..EExtended strand (participates in β ladder)trans-126.1124.2178.2-171.3173.1-177.200110V14 N15 E17 A147 F150 P152 I155 V207 L208V14-M202 HydrophobicContact CG1-CB 3.86Å; N15-M202 PolarHBondContact O-N 3.16Å; E17-M202 PolarHBondContact N-O 3.05Å; A147-M202 HydrophobicContact CB-CE 3.95Å; A147-M202 WeakPolarHBondContact O-CE 3.25Å; F150-M202 WeakPolarHBondContact O-CE 3.45Å; P152-M202 HydrophobicContact CB-SD 4.38Å; P152-M202 HydrophobicContact CG-SD 3.85Å; I155-M202 HydrophobicContact CD1-CE 4.02Å; I155-M202 HydrophobicContact CD1-SD 3.75Å; M202-V207 WeakPolarHBondContact CA-O 3.23Å; M202-L208 HydrophobicContact CB-CD1 3.98Å; M202-L208 HydrophobicContact CG-CD1 4.38Å
203T97.9Very high96Very high5 Ų532 Ų323%0.03117%0.171CC..EExtended strand (participates in β ladder)trans-75.2160.9176.463.50000111.3R19 F21 D205 G206 V207R19-T203 WeakPolarHBondContact O-CA 3.35Å; R19-T203 VanDerWaalsContact O-CB 3.23Å; R19-T203 WeakPolarHBondContact O-CB 3.39Å; F21-T203 HydrophobicContact CB-CG2 4.3Å; T203-D205 WeakPolarHBondContact CB-OD1 3.17Å; T203-D205 PolarHBondContact O-N 3.16Å; T203-D205 PolarHBondContact OG1-OD1 3.01Å; T203-G206 PolarHBondContact O-N 2.87Å; T203-V207 HydrophobicContact CG2-CB 4.38Å; T203-V207 PolarHBondContact N-O 3.38Å; T203-V207 VanDerWaalsContact OG1-CB 3.32Å; T203-V207 WeakPolarHBondContact OG1-CB 3.36Å; T203-V207 PolarHBondContact OG1-N 3.32Å; T203-V207 PolarHBondContact OG1-O 3.19Å
204D95.6Very high96.1Very high78 Ų7832.9 Ų32.942%0.41718%0.176SC..THydrogen-bonded Turntrans-65-22.7178.6-83.2-31.7000113.2R16 E17 Q18 R19 G206R16-D204 IonicContact CZ-OD1 2.8Å; R16-D204 IonicContact NE-OD1 3.47Å; R16-D204 PolarHBondContact NE-OD1 2.75Å; R16-D204 IonicContact NH2-OD1 3.96Å; R16-D204 PolarHBondContact NH2-OD1 3.48Å; E17-D204 PolarHBondContact O-N 3.38Å; Q18-D204 WeakPolarHBondContact CA-OD2 3.22Å; R19-D204 PolarHBondContact N-OD2 2.85Å; R19-D204 PolarHBondContact O-N 3.47Å; D204-G206 VanDerWaalsContact C-N 3.31Å
205D96.4Very high96Very high47 Ų4736.1 Ų36.125%0.25119%0.189SC..THydrogen-bonded Turntrans-9010.9174.566.6-28.7000113.6S20 F21 R74 T203S20-D205 WeakPolarHBondContact CA-OD1 3.4Å; F21-D205 PolarHBondContact N-OD1 2.87Å; F21-D205 PolarHBondContact N-OD2 2.87Å; R74-D205 IonicContact NH2-OD2 2.95Å; T203-D205 WeakPolarHBondContact CB-OD1 3.17Å; T203-D205 PolarHBondContact O-N 3.16Å; T203-D205 PolarHBondContact OG1-OD1 3.01Å
206G96.6Very high95.5Very high6 Ų635.2 Ų35.26%0.06219%0.186CC..SBendtrans8719.5168.500000115.5A147 Q148 T203 D204A147-G206 CarbonylContact C-O 3.15Å; A147-G206 VanDerWaalsContact CA-O 3.27Å; A147-G206 WeakPolarHBondContact CA-O 3.43Å; A147-G206 WeakPolarHBondContact CB-O 3.31Å; A147-G206 PolarHBondContact N-O 2.81Å; Q148-G206 PolarHBondContact N-O 3.23Å; T203-G206 PolarHBondContact O-N 2.87Å; D204-G206 VanDerWaalsContact C-N 3.31Å
207V97.8Very high94.8Very high3 Ų335.2 Ų35.22%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-90.4112.3173.4-176.90000109F21 M77 R144 M202 T203F21-V207 HydrophobicContact CB-CB 4.08Å; F21-V207 HydrophobicContact CB-CG2 3.67Å; F21-V207 HydrophobicContact CD1-CG2 4.45Å; F21-V207 HydrophobicContact CD2-CG1 4.13Å; F21-V207 HydrophobicContact CG-CB 4.33Å; F21-V207 HydrophobicContact CG-CG1 4.26Å; F21-V207 HydrophobicContact CG-CG2 4.02Å; M77-V207 HydrophobicContact CE-CB 4.41Å; M77-V207 HydrophobicContact CE-CG1 3.73Å; M77-V207 HydrophobicContact CE-CG2 3.74Å; M77-V207 HydrophobicContact SD-CG1 4.14Å; M77-V207 HydrophobicContact SD-CG2 3.97Å; R144-V207 HydrophobicContact CB-CG1 4.17Å; R144-V207 HydrophobicContact CG-CG1 4.34Å; M202-V207 WeakPolarHBondContact CA-O 3.23Å; T203-V207 HydrophobicContact CG2-CB 4.38Å; T203-V207 PolarHBondContact N-O 3.38Å; T203-V207 VanDerWaalsContact OG1-CB 3.32Å; T203-V207 WeakPolarHBondContact OG1-CB 3.36Å; T203-V207 PolarHBondContact OG1-N 3.32Å; T203-V207 PolarHBondContact OG1-O 3.19Å
208L98.4Very high93.5Very high0 Ų040.5 Ų40.50%020%0.203CC..EExtended strand (participates in β ladder)trans-85.4123.9171.6-173.378.6000108.6V14 R144 F145 A147 I155 V157 V166 C200 R201 M202V14-L208 HydrophobicContact CB-CD1 4.5Å; V14-L208 HydrophobicContact CG1-CD1 3.5Å; V14-L208 VanDerWaalsContact CG1-CD1 3.5Å; V14-L208 HydrophobicContact CG2-CD1 4.21Å; R144-L208 CarbonylContact C-O 3.59Å; R144-L208 WeakPolarHBondContact CA-O 3.32Å; F145-L208 HydrophobicContact CB-CB 4.21Å; F145-L208 HydrophobicContact CD2-CD2 4.18Å; F145-L208 PolarHBondContact N-O 3.4Å; F145-L208 PolarHBondContact O-N 3.4Å; A147-L208 HydrophobicContact CB-CB 4.02Å; I155-L208 HydrophobicContact CD1-CD1 4.42Å; I155-L208 HydrophobicContact CG2-CD2 4.03Å; V157-L208 HydrophobicContact CG2-CD2 4.1Å; V166-L208 HydrophobicContact CG1-CD2 3.55Å; V166-L208 HydrophobicContact CG2-CD2 4.11Å; C200-L208 WeakPolarHBondContact SG-CD1 3.21Å; R201-L208 CarbonylContact O-C 3.42Å; R201-L208 WeakPolarHBondContact O-CA 3.49Å; M202-L208 HydrophobicContact CB-CD1 3.98Å; M202-L208 HydrophobicContact CG-CD1 4.38Å
209M97.8Very high92.1Very high3 Ų342 Ų422%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-118.2129.1180-174.6-178.8-57.800109.9F21 K142 V143 R144 C200 R201F21-M209 HydrophobicContact CD2-CE 4.12Å; F21-M209 HydrophobicContact CE2-CE 3.77Å; K142-M209 HydrophobicContact CD-SD 4.42Å; V143-M209 WeakPolarHBondContact O-CA 3.37Å; R144-M209 HydrophobicContact CG-CE 4.12Å; R144-M209 HydrophobicContact CG-CG 4.25Å; C200-M209 WeakPolarHBondContact CA-O 3.39Å; C200-M209 PolarHBondContact SG-O 2.95Å; R201-M209 HydrophobicContact CG-CB 4.09Å; R201-M209 PolarHBondContact N-O 3.3Å; R201-M209 PolarHBondContact O-N 3.32Å
210L97.6Very high91.3Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-101137163.7-106.694.1000109.5I12 K142 V143 F145 V157 V164 L198 K199 C200I12-L210 HydrophobicContact CD1-CD2 4.25Å; K142-L210 WeakPolarHBondContact CA-O 3.46Å; V143-L210 HydrophobicContact CG2-CB 3.68Å; V143-L210 PolarHBondContact N-O 3.18Å; V143-L210 PolarHBondContact O-N 2.74Å; F145-L210 HydrophobicContact CE2-CD1 4.1Å; V157-L210 HydrophobicContact CG1-CD1 3.76Å; V157-L210 HydrophobicContact CG1-CD2 4.44Å; V164-L210 HydrophobicContact CB-CD2 4.09Å; V164-L210 HydrophobicContact CG1-CD1 4.15Å; V164-L210 HydrophobicContact CG1-CD2 3.69Å; V164-L210 HydrophobicContact CG2-CD2 3.53Å; L198-L210 HydrophobicContact CD2-CD2 3.93Å; K199-L210 WeakPolarHBondContact O-CA 3.27Å; C200-L210 HydrophobicContact CB-CD1 4.22Å; C200-L210 HydrophobicContact CB-CG 4.39Å
211E97.2Very high90.9Very high30 Ų3037.5 Ų37.514%0.1419%0.192CC..EExtended strand (participates in β ladder)trans-140.6149.817569.2-174.5171.200113.2F141 K142 L198 K199 R201F141-E211 CarbonylContact O-C 3.6Å; F141-E211 WeakPolarHBondContact O-CA 3.27Å; F141-E211 WeakPolarHBondContact O-CB 3.32Å; K142-E211 HydrophobicContact CG-CB 4.02Å; L198-E211 WeakPolarHBondContact CA-O 3.21Å; K199-E211 HydrophobicContact CB-CG 4.16Å; K199-E211 PolarHBondContact N-O 3.15Å; K199-E211 PolarHBondContact O-N 3.42Å; R201-E211 IonicContact CZ-OE1 3.15Å; R201-E211 IonicContact CZ-OE2 3.4Å; R201-E211 IonicContact NE-OE1 3.3Å; R201-E211 PolarHBondContact NE-OE1 3.37Å; R201-E211 IonicContact NE-OE2 2.74Å; R201-E211 IonicContact NH2-OE1 3.97Å; R201-E211 PolarHBondContact NH2-OE1 2.93Å; R201-E211 VanDerWaalsContact NH2-OE1 3.08Å; R201-E211 IonicContact NH2-OE2 3.33Å; R201-E211 PolarHBondContact NH2-OE2 3.18Å
212A96.8Very high90.7Very high1 Ų136.4 Ų36.41%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-149.8150.8171.400000110.9F141 L198F141-A212 PolarHBondContact N-O 3.42Å; F141-A212 PolarHBondContact O-N 3.43Å; L198-A212 HydrophobicContact CD2-CB 3.58Å; L198-A212 HydrophobicContact CG-CB 4.13Å
213P95.4Very high90.5Very high38 Ų3836.7 Ų36.725%0.24719%0.19CC..EExtended strand (participates in β ladder)trans-58.9154.1164.5-18.231.3000111.1D194 Q197D194-P213 PolarHBondContact N-O 2.95Å; Q197-P213 HydrophobicContact CB-CG 4.22Å
214V94.8Very high90.3Very high20 Ų2037.3 Ų37.312%0.12119%0.193CC..BIsolated β-bridgetrans-100.9142.3173.6-56.80000111.2Y131 V139 F141 S192 V216 L329Y131-V214 HydrophobicContact CD1-CG1 3.85Å; Y131-V214 HydrophobicContact CE1-CG1 3.74Å; V139-V214 HydrophobicContact CB-CG2 4.1Å; V139-V214 HydrophobicContact CG1-CG1 4.41Å; V139-V214 HydrophobicContact CG1-CG2 4.07Å; V139-V214 WeakPolarHBondContact O-CG2 3.45Å; F141-V214 HydrophobicContact CB-CG1 4.15Å; S192-V214 CarbonylContact O-C 3.53Å; S192-V214 WeakPolarHBondContact O-CA 3.25Å; V214-V216 HydrophobicContact CB-CG2 4.49Å; V214-V216 HydrophobicContact CG2-CG2 3.49Å; V214-V216 VanDerWaalsContact CG2-CG2 3.49Å; V214-V216 PolarHBondContact O-N 3.02Å; V214-L329 HydrophobicContact CB-CD1 3.6Å; V214-L329 HydrophobicContact CG1-CD1 3.66Å; V214-L329 HydrophobicContact CG2-CD1 3.81Å
215K90.8Very high90.2Very high100 Ų10035.1 Ų35.144%0.43518%0.182SC..  trans-79.688.1171.2-63.6166.2176.1147.50107.9S192 I193 D194 D195S192-K215 WeakPolarHBondContact O-CB 3.15Å; S192-K215 PolarHBondContact O-N 2.8Å; I193-K215 WeakPolarHBondContact O-CD 3.5Å; I193-K215 VanDerWaalsContact O-CE 3.23Å; I193-K215 WeakPolarHBondContact O-CE 3.38Å; I193-K215 PolarHBondContact O-NZ 3.21Å; D194-K215 HydrophobicContact CB-CG 4.27Å; D195-K215 IonicContact OD1-NZ 3.12Å; D195-K215 PolarHBondContact OD1-NZ 2.89Å
216V80.9Confident89.7Confident43 Ų4338 Ų3826%0.26119%0.193SC..  trans-86.5123.2175.3-1700000109.4Y47 V214 Q220 L222Y47-V216 HydrophobicContact CD1-CG1 4Å; Y47-V216 HydrophobicContact CD1-CG2 4.45Å; Y47-V216 HydrophobicContact CE1-CB 4.08Å; Y47-V216 HydrophobicContact CE1-CG1 3.94Å; Y47-V216 HydrophobicContact CE1-CG2 3.62Å; V214-V216 HydrophobicContact CB-CG2 4.49Å; V214-V216 HydrophobicContact CG2-CG2 3.49Å; V214-V216 VanDerWaalsContact CG2-CG2 3.49Å; V214-V216 PolarHBondContact O-N 3.02Å; V216-Q220 HydrophobicContact CG1-CB 3.74Å; V216-L222 HydrophobicContact CG1-CD1 4.14Å; V216-L222 HydrophobicContact CG1-CG 4.41Å; V216-L222 HydrophobicContact CG2-CD1 3.95Å
217D76.3Confident89.3Confident100 Ų10039.4 Ų39.454%0.53520%0.202SC..  trans-64.2141.9169.5-78.4-30.1000109.6N219 Q220D217-N219 PolarHBondContact O-N 3Å; D217-Q220 HydrophobicContact CB-CG 4.29Å; D217-Q220 PolarHBondContact O-N 3.27Å
218Q66.8Low88.9Confident204 Ų20439.8 Ų39.895%0.95321%0.208SC*.THydrogen-bonded Turntrans-54.9-16.7177.2-65.8-179.4-400113.6
219N67.9Low88.6Confident48 Ų4841.2 Ų41.226%0.25721%0.214SC..THydrogen-bonded Turntrans-977-178-83.4-13.8000113.2D217 K235 P244 Q247D217-N219 PolarHBondContact O-N 3Å; N219-K235 WeakPolarHBondContact O-CE 3.44Å; N219-K235 PolarHBondContact O-NZ 3.04Å; N219-P244 WeakPolarHBondContact ND2-CD 3.43Å; N219-Q247 PolarHBondContact ND2-OE1 2.82Å
220Q78.8Confident88.5Confident23 Ų2341.5 Ų41.511%0.10722%0.216CC..  trans-101.2123.1177.7-79.8178.2-300112.1V216 D217 L222 L329V216-Q220 HydrophobicContact CG1-CB 3.74Å; D217-Q220 HydrophobicContact CB-CG 4.29Å; D217-Q220 PolarHBondContact O-N 3.27Å; Q220-L222 HydrophobicContact CB-CD2 4.42Å; Q220-L222 PolarHBondContact O-N 2.8Å; Q220-L329 PolarHBondContact NE2-O 2.95Å; Q220-L329 PolarHBondContact OE1-O 3.08Å
221S89.6Confident88.3Confident10 Ų1041.6 Ų41.67%0.0722%0.217CC..  trans-96.387.2174.5-55.50000108.7R233S221-R233 WeakPolarHBondContact CB-O 3.34Å; S221-R233 PolarHBondContact O-N 3.18Å
222L93.4Very high88.2Confident0 Ų040.4 Ų40.40%021%0.212CC..EExtended strand (participates in β ladder)trans-78.7142.2176.4-54.7-177.8000111.3Y47 T48 V139 V216 Q220 V230 A231 V232 L329Y47-L222 WeakPolarHBondContact CB-O 3.33Å; Y47-L222 HydrophobicContact CD1-CB 4.23Å; Y47-L222 HydrophobicContact CD1-CD1 3.96Å; Y47-L222 HydrophobicContact CD1-CG 4.15Å; Y47-L222 HydrophobicContact CD2-CB 4.08Å; Y47-L222 HydrophobicContact CD2-CD1 4.5Å; Y47-L222 HydrophobicContact CE1-CD1 3.91Å; Y47-L222 HydrophobicContact CE2-CD1 4.45Å; Y47-L222 HydrophobicContact CG-CB 3.8Å; Y47-L222 HydrophobicContact CG-CD1 4.27Å; Y47-L222 HydrophobicContact CG-CG 4.24Å; T48-L222 WeakPolarHBondContact CG2-O 3.45Å; V139-L222 HydrophobicContact CB-CD1 4.34Å; V139-L222 HydrophobicContact CG2-CD1 4.05Å; V216-L222 HydrophobicContact CG1-CD1 4.14Å; V216-L222 HydrophobicContact CG1-CG 4.41Å; V216-L222 HydrophobicContact CG2-CD1 3.95Å; Q220-L222 HydrophobicContact CB-CD2 4.42Å; Q220-L222 PolarHBondContact O-N 2.8Å; L222-V230 HydrophobicContact CD2-CG1 4.48Å; L222-A231 WeakPolarHBondContact CA-O 3.16Å; L222-V232 HydrophobicContact CD2-CG2 4.33Å; L222-L329 HydrophobicContact CD1-CD2 3.74Å; L222-L329 HydrophobicContact CD2-CD2 3.53Å; L222-L329 HydrophobicContact CG-CD2 4.3Å
223T94.3Very high88.1Confident11 Ų1142 Ų427%0.06722%0.217CC..EExtended strand (participates in β ladder)trans-139.3178.1173.5-1710000109.3A231 R233T223-A231 HydrophobicContact CG2-CB 3.9Å; T223-A231 PolarHBondContact N-O 3.04Å; T223-A231 PolarHBondContact O-N 3.47Å; T223-R233 HydrophobicContact CG2-CB 4.15Å
224L94.2Very high88.1Confident18 Ų1840.2 Ų40.29%0.09421%0.206CC..EExtended strand (participates in β ladder)trans-113.5140169.7-57.9174.4000108.8W51 T54 W58 V133 Q229 V230W51-L224 HydrophobicContact CH2-CD1 4.33Å; W51-L224 HydrophobicContact CH2-CD2 4.17Å; W51-L224 HydrophobicContact CH2-CG 4.05Å; W51-L224 HydrophobicContact CZ3-CD2 4.5Å; W51-L224 HydrophobicContact CZ3-CG 4.07Å; T54-L224 HydrophobicContact CG2-CB 3.83Å; T54-L224 HydrophobicContact CG2-CD1 4.16Å; T54-L224 HydrophobicContact CG2-CG 3.94Å; W58-L224 HydrophobicContact CB-CD1 3.43Å; W58-L224 VanDerWaalsContact CB-CD1 3.43Å; W58-L224 HydrophobicContact CD2-CD1 4.2Å; W58-L224 HydrophobicContact CG-CD1 3.5Å; V133-L224 HydrophobicContact CG2-CD1 3.93Å; L224-Q229 WeakPolarHBondContact CA-O 3.49Å; L224-V230 HydrophobicContact CD2-CB 4.49Å; L224-V230 HydrophobicContact CD2-CG2 3.79Å
225N91.8Very high87.9Confident33 Ų3340.1 Ų40.118%0.17620%0.204CC..  trans-83.5-177.3172.674.42.9000111.2S227 G228 Q229 N287N225-S227 VanDerWaalsContact CG-OG 3.31Å; N225-S227 PolarHBondContact ND2-OG 3.27Å; N225-S227 VanDerWaalsContact ND2-OG 3.13Å; N225-S227 PolarHBondContact O-N 2.72Å; N225-S227 PolarHBondContact OD1-N 2.95Å; N225-S227 PolarHBondContact OD1-OG 3.16Å; N225-G228 PolarHBondContact O-N 3.2Å; N225-G228 PolarHBondContact OD1-N 2.86Å; N225-Q229 PolarHBondContact N-O 3.28Å; N225-Q229 PolarHBondContact OD1-N 3.14Å; N225-Q229 PolarHBondContact OD1-O 2.78Å; N225-N287 VanDerWaalsContact CB-OD1 3.28Å; N225-N287 WeakPolarHBondContact CB-OD1 3.29Å; N225-N287 VanDerWaalsContact ND2-CG 3.32Å; N225-N287 PolarHBondContact ND2-ND2 3.42Å; N225-N287 PolarHBondContact ND2-OD1 2.96Å
226E86.7Confident87.5Confident106 Ų10636.8 Ų36.850%0.49519%0.193SC..THydrogen-bonded Turntrans-67.6-19.3-178.2-56.6-172-175.600114.8G228 R298E226-G228 VanDerWaalsContact C-N 3.32Å; E226-R298 VanDerWaalsContact CD-NH2 3.3Å; E226-R298 IonicContact OE1-CZ 2.82Å; E226-R298 IonicContact OE1-NE 3.41Å; E226-R298 PolarHBondContact OE1-NE 2.82Å; E226-R298 IonicContact OE1-NH1 2.78Å; E226-R298 PolarHBondContact OE1-NH1 2.94Å; E226-R298 IonicContact OE1-NH2 2.91Å; E226-R298 PolarHBondContact OE1-NH2 2.98Å; E226-R298 IonicContact OE2-CZ 3.38Å; E226-R298 VanDerWaalsContact OE2-CZ 3.23Å; E226-R298 IonicContact OE2-NH1 2.77Å; E226-R298 PolarHBondContact OE2-NH1 2.89Å; E226-R298 VanDerWaalsContact OE2-NH1 3.16Å; E226-R298 IonicContact OE2-NH2 3.8Å; E226-R298 PolarHBondContact OE2-NH2 3.13Å
227S87.9Confident87.5Confident36 Ų3639.3 Ų39.325%0.25221%0.205SC..THydrogen-bonded Turntrans-89.80.4172.859.20000112.9R72 N225 Q229R72-S227 PolarHBondContact NH1-O 3.11Å; N225-S227 VanDerWaalsContact CG-OG 3.31Å; N225-S227 PolarHBondContact ND2-OG 3.27Å; N225-S227 VanDerWaalsContact ND2-OG 3.13Å; N225-S227 PolarHBondContact O-N 2.72Å; N225-S227 PolarHBondContact OD1-N 2.95Å; N225-S227 PolarHBondContact OD1-OG 3.16Å; S227-Q229 VanDerWaalsContact C-N 3.34Å; S227-Q229 PolarHBondContact OG-OE1 3.23Å
228G90.6Very high87.7Confident12 Ų1240.2 Ų40.212%0.12421%0.21CC..SBendtrans77.317-178.800000114.6W58 N225 E226W58-G228 PolarHBondContact NE1-O 3.43Å; N225-G228 PolarHBondContact O-N 3.2Å; N225-G228 PolarHBondContact OD1-N 2.86Å; E226-G228 VanDerWaalsContact C-N 3.32Å
229Q92.2Very high88.5Confident30 Ų3034.6 Ų34.614%0.1418%0.184CC..  trans-88.7145.7175.9-64.9170.3-48.200110.4D129 L224 N225 S227D129-Q229 PolarHBondContact OD1-NE2 2.99Å; L224-Q229 WeakPolarHBondContact CA-O 3.49Å; N225-Q229 PolarHBondContact N-O 3.28Å; N225-Q229 PolarHBondContact OD1-N 3.14Å; N225-Q229 PolarHBondContact OD1-O 2.78Å; S227-Q229 VanDerWaalsContact C-N 3.34Å; S227-Q229 PolarHBondContact OG-OE1 3.23Å
230V93.8Very high89.2Confident8 Ų834 Ų345%0.04818%0.18CC..EExtended strand (participates in β ladder)trans-63.3137.4176.9176.40000110.5Y131 V139 L222 L224 N287 L329Y131-V230 WeakPolarHBondContact O-CG2 2.91Å; V139-V230 HydrophobicContact CG1-CG1 4.48Å; V139-V230 HydrophobicContact CG1-CG2 3.94Å; V139-V230 HydrophobicContact CG2-CG1 4.37Å; V139-V230 HydrophobicContact CG2-CG2 3.86Å; L222-V230 HydrophobicContact CD2-CG1 4.48Å; L224-V230 HydrophobicContact CD2-CB 4.49Å; L224-V230 HydrophobicContact CD2-CG2 3.79Å; V230-N287 PolarHBondContact O-ND2 2.84Å; V230-N287 VanDerWaalsContact O-ND2 3.13Å; V230-L329 HydrophobicContact CG1-CD2 3.91Å
231A94.7Very high89.4Confident2 Ų240.8 Ų40.82%0.01721%0.209CC..EExtended strand (participates in β ladder)trans-141.7166.4-177.500000110.7L222 T223 C285 V286 N287L222-A231 WeakPolarHBondContact CA-O 3.16Å; T223-A231 HydrophobicContact CG2-CB 3.9Å; T223-A231 PolarHBondContact N-O 3.04Å; T223-A231 PolarHBondContact O-N 3.47Å; A231-C285 WeakPolarHBondContact CB-SG 3.47Å; A231-V286 CarbonylContact C-O 3.54Å; A231-V286 WeakPolarHBondContact CA-O 3.17Å; A231-V286 WeakPolarHBondContact CB-O 3.36Å; A231-N287 WeakPolarHBondContact CB-ND2 3.31Å
232V94.8Very high89.2Confident6 Ų644.1 Ų44.14%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-104.5124.4174.1179.30000109.2L222 V286 V331 A333L222-V232 HydrophobicContact CD2-CG2 4.33Å; V232-V286 HydrophobicContact CB-CB 4.35Å; V232-V286 PolarHBondContact N-O 3.06Å; V232-V286 WeakPolarHBondContact O-CB 3.46Å; V232-V286 PolarHBondContact O-N 2.57Å; V232-V331 HydrophobicContact CG2-CB 4.11Å; V232-A333 HydrophobicContact CG1-CB 4.04Å
233R95.1Very high88.7Confident33 Ų3344.7 Ų44.713%0.12524%0.241CC..PPolyproline II helixtrans-81.8128.2166.7-177.1-178.9-72.4166.76108.8D50 S221 T223 P281D50-R233 IonicContact OD1-CZ 3.7Å; D50-R233 IonicContact OD1-NH1 2.82Å; D50-R233 PolarHBondContact OD1-NH1 2.77Å; D50-R233 IonicContact OD1-NH2 3.8Å; D50-R233 PolarHBondContact OD1-NH2 3.41Å; D50-R233 IonicContact OD2-CZ 3.42Å; D50-R233 IonicContact OD2-NH1 2.72Å; D50-R233 PolarHBondContact OD2-NH1 3.37Å; D50-R233 IonicContact OD2-NH2 3.27Å; D50-R233 PolarHBondContact OD2-NH2 2.97Å; S221-R233 WeakPolarHBondContact CB-O 3.34Å; S221-R233 PolarHBondContact O-N 3.18Å; T223-R233 HydrophobicContact CG2-CB 4.15Å; R233-P281 WeakPolarHBondContact CG-O 3.28Å
234P95.1Very high88.3Confident1 Ų147.1 Ų47.11%0.00626%0.257CS..PPolyproline II helixtrans-59.9144.4174.2-24.435.9000112.3P281 L284 V286 A333 V335 L340P234-P281 WeakPolarHBondContact O-CB 3.33Å; P234-L284 WeakPolarHBondContact CD-O 3.44Å; P234-L284 HydrophobicContact CG-CB 3.75Å; P234-L284 HydrophobicContact CG-CD1 4.13Å; P234-V286 HydrophobicContact CG-CG2 4.26Å; P234-A333 WeakPolarHBondContact CA-O 3.01Å; P234-A333 HydrophobicContact CB-CB 4.2Å; P234-A333 HydrophobicContact CG-CB 4.2Å; P234-V335 HydrophobicContact CB-CG2 3.93Å; P234-L340 HydrophobicContact CB-CD1 3.51Å; P234-L340 HydrophobicContact CG-CD1 3.35Å; P234-L340 HydrophobicContact CG-CD2 4.33Å; P234-L340 HydrophobicContact CG-CG 4.48Å
235K90.8Very high87.8Confident18 Ų1850.9 Ų50.98%0.07829%0.29CS..BIsolated β-bridgetrans-70.1143.2173.5-64.2178.7-175.11710111.5N219 Q239 I240 V243 A333 Q334 V335N219-K235 WeakPolarHBondContact O-CE 3.44Å; N219-K235 PolarHBondContact O-NZ 3.04Å; K235-Q239 HydrophobicContact CB-CB 4.03Å; K235-Q239 HydrophobicContact CG-CB 4.4Å; K235-I240 HydrophobicContact CB-CG1 3.86Å; K235-V243 HydrophobicContact CD-CG2 3.55Å; K235-V243 VanDerWaalsContact NZ-CG2 3.25Å; K235-A333 PolarHBondContact N-O 2.98Å; K235-Q334 HydrophobicContact CB-CG 4.23Å; K235-Q334 HydrophobicContact CD-CG 4.29Å; K235-V335 PolarHBondContact O-N 2.9Å
236S81.3Confident87.5Confident31 Ų3154.7 Ų54.722%0.21732%0.319CS..PPolyproline II helixtrans-80.2162169.469.20000112.4N238 Q239 I240S236-N238 PolarHBondContact O-N 3.25Å; S236-N238 VanDerWaalsContact O-N 3.07Å; S236-Q239 CarbonylContact O-C 3.56Å; S236-Q239 WeakPolarHBondContact O-CA 3.49Å; S236-Q239 WeakPolarHBondContact O-CB 3.45Å; S236-Q239 PolarHBondContact O-N 2.98Å; S236-I240 VanDerWaalsContact O-CG1 3.3Å; S236-I240 WeakPolarHBondContact O-CG1 3.46Å; S236-I240 PolarHBondContact O-N 3.37Å
237D81.9Confident87.3Confident95 Ų9553.9 Ų53.951%0.50832%0.316SS..Hα-helixtrans-49.8-37176.2-71.3-17.5000113.4K241D237-K241 WeakPolarHBondContact O-CG 3.39Å; D237-K241 PolarHBondContact O-N 3.25Å
238N80Confident87.4Confident120 Ų12054.1 Ų54.164%0.64232%0.32SS*.Hα-helixtrans-72.1-37.4178.7-73-23.8000112.2S236 K241S236-N238 PolarHBondContact O-N 3.25Å; S236-N238 VanDerWaalsContact O-N 3.07Å; N238-K241 PolarHBondContact OD1-NZ 3.02Å
239Q83.7Confident87.4Confident86 Ų8654.2 Ų54.240%0.40232%0.318SS..Hα-helixtrans-71.6-35.7174.9-69.9174.1-19.900111.5K235 S236 K241 A242K235-Q239 HydrophobicContact CB-CB 4.03Å; K235-Q239 HydrophobicContact CG-CB 4.4Å; S236-Q239 CarbonylContact O-C 3.56Å; S236-Q239 WeakPolarHBondContact O-CA 3.49Å; S236-Q239 WeakPolarHBondContact O-CB 3.45Å; S236-Q239 PolarHBondContact O-N 2.98Å; Q239-K241 PolarHBondContact O-N 3.36Å; Q239-A242 PolarHBondContact O-N 3.39Å
240I83Confident87.4Confident35 Ų3557.6 Ų57.618%0.17934%0.34CS..Hα-helixtrans-59.9-35.4178.1-67.2166.2000111.1K235 S236 A242 V243 Q334 V335K235-I240 HydrophobicContact CB-CG1 3.86Å; S236-I240 VanDerWaalsContact O-CG1 3.3Å; S236-I240 WeakPolarHBondContact O-CG1 3.46Å; S236-I240 PolarHBondContact O-N 3.37Å; I240-A242 PolarHBondContact O-N 3.19Å; I240-V243 WeakPolarHBondContact O-CB 3.11Å; I240-V243 PolarHBondContact O-N 2.99Å; I240-Q334 HydrophobicContact CD1-CB 3.88Å; I240-Q334 HydrophobicContact CD1-CG 4.4Å; I240-Q334 HydrophobicContact CG1-CB 4.24Å; I240-Q334 HydrophobicContact CG1-CG 4.2Å; I240-V335 WeakPolarHBondContact CD1-O 3.38Å
241K83.5Confident87.3Confident166 Ų16659 Ų5972%0.72235%0.352SS*.THydrogen-bonded Turntrans-60.3-25.6176-68.5167.3-170.6165.70113.8D237 N238 Q239D237-K241 WeakPolarHBondContact O-CG 3.39Å; D237-K241 PolarHBondContact O-N 3.25Å; N238-K241 PolarHBondContact OD1-NZ 3.02Å; Q239-K241 PolarHBondContact O-N 3.36Å
242A83.9Confident87.2Confident79 Ų7964.1 Ų64.165%0.65337%0.374SS*.THydrogen-bonded Turntrans-88.3-10.1175.800000113Q239 I240Q239-A242 PolarHBondContact O-N 3.39Å; I240-A242 PolarHBondContact O-N 3.19Å
243V82.9Confident87.1Confident13 Ų1366.6 Ų66.68%0.07940%0.401CS..SBendtrans-76.9130.4179.3-177.40000109.5K235 I240 A245 Q247K235-V243 HydrophobicContact CD-CG2 3.55Å; K235-V243 VanDerWaalsContact NZ-CG2 3.25Å; I240-V243 WeakPolarHBondContact O-CB 3.11Å; I240-V243 PolarHBondContact O-N 2.99Å; V243-A245 PolarHBondContact O-N 3.38Å; V243-Q247 HydrophobicContact CG1-CB 3.64Å
244P86.3Confident87Confident62 Ų6269 Ų6940%0.40342%0.419SS..  trans-54.6141172.4-24.933.9000111.1N219 S246 Q247 A248N219-P244 WeakPolarHBondContact ND2-CD 3.43Å; P244-S246 PolarHBondContact O-N 3.28Å; P244-Q247 PolarHBondContact O-N 3.39Å; P244-A248 PolarHBondContact O-N 2.82Å
245A84.8Confident86.9Confident96 Ų9674.7 Ų74.779%0.79345%0.445SS*.G310 helixtrans-54.9-28.9-178.300000113.5V243 Q247 A248V243-A245 PolarHBondContact O-N 3.38Å; A245-Q247 PolarHBondContact O-N 2.81Å; A245-A248 PolarHBondContact O-N 2.99Å
246S83.7Confident87.1Confident113 Ų11374.4 Ų74.479%0.7945%0.447SS*.G310 helixtrans-70.2-12.5175.659.50000114.8P244P244-S246 PolarHBondContact O-N 3.28Å
247Q84.3Confident87.8Confident90 Ų9075.4 Ų75.442%0.42145%0.45SS..G310 helixtrans-117.9-3.3179.7-64.5-179.8-1.700112.6N219 V243 P244 A245 Q334N219-Q247 PolarHBondContact ND2-OE1 2.82Å; V243-Q247 HydrophobicContact CG1-CB 3.64Å; P244-Q247 PolarHBondContact O-N 3.39Å; A245-Q247 PolarHBondContact O-N 2.81Å; Q247-Q334 PolarHBondContact O-NE2 2.95Å
248A88.5Confident88.4Confident41 Ų4172.2 Ų72.234%0.33944%0.435SS..  trans-68.8133.8176.400000109.9P244 A245P244-A248 PolarHBondContact O-N 2.82Å; A245-A248 PolarHBondContact O-N 2.99Å
249L92Very high88.9Confident14 Ų1471.5 Ų71.57%0.07342%0.424CS..  trans-88.9146.6177.2-59.9-176.2000109.6S332 Q334 V341 E343L249-S332 WeakPolarHBondContact CD1-O 3.47Å; L249-Q334 HydrophobicContact CB-CB 4.31Å; L249-Q334 HydrophobicContact CB-CG 4.28Å; L249-Q334 HydrophobicContact CD1-CB 4.31Å; L249-Q334 HydrophobicContact CD1-CG 4.04Å; L249-Q334 HydrophobicContact CG-CG 4.1Å; L249-Q334 VanDerWaalsContact N-OE1 3.08Å; L249-V341 HydrophobicContact CB-CB 4.17Å; L249-V341 HydrophobicContact CB-CG1 3.9Å; L249-V341 HydrophobicContact CD1-CB 4.45Å; L249-V341 HydrophobicContact CD1-CG1 4.28Å; L249-V341 WeakPolarHBondContact CD1-O 3.45Å; L249-E343 HydrophobicContact CD2-CB 3.94Å; L249-E343 HydrophobicContact CD2-CG 3.84Å
250V90.9Very high89.3Confident100 Ų10068.8 Ų68.861%0.60641%0.414SS*.  trans-124.5128.8-178.1-177.80000109K252 H270V250-K252 PolarHBondContact O-N 2.98Å; V250-H270 PolarHBondContact O-CE1 3.37Å
251A92.4Very high89.5Confident38 Ų3872.6 Ų72.631%0.31443%0.434SS..  trans-71.6124.517000000109.5V341A251-V341 HydrophobicContact CB-CG2 3.87Å
252K92.8Very high89.5Confident110 Ų11067.8 Ų67.848%0.47842%0.416SS..  trans-92.6-10.5178.1-54.2-177.2-177.4-171.70112.3V250 E272V250-K252 PolarHBondContact O-N 2.98Å; K252-E272 VanDerWaalsContact CA-OE1 3.27Å; K252-E272 WeakPolarHBondContact CA-OE1 3.31Å; K252-E272 VanDerWaalsContact CB-OE1 3.29Å; K252-E272 WeakPolarHBondContact CB-OE1 3.28Å; K252-E272 PolarHBondContact N-OE1 2.73Å
253G92.9Very high89.2Confident57 Ų5767.6 Ų67.659%0.58842%0.423SS*.SBendtrans82.215.9-179.500000113.2E272G253-E272 WeakPolarHBondContact CA-OE2 3.32Å; G253-E272 PolarHBondContact N-OE1 2.98Å; G253-E272 VanDerWaalsContact N-OE1 3.09Å; G253-E272 PolarHBondContact N-OE2 2.9Å
254V92.5Very high89.1Confident85 Ų8571.8 Ų71.852%0.51545%0.452SS..  trans-108.893.7176.3-176.70000108.2E272V254-E272 PolarHBondContact N-OE1 3.36Å; V254-E272 PolarHBondContact N-OE2 2.66Å
255H93.8Very high88.5Confident119 Ų11971.2 Ų71.255%0.55146%0.458SS*.  trans-64.2142.2179.7-60-40.4000112.4P274H255-P274 HydrophobicContact CB-CG 4.48Å
256G95.2Very high88.2Confident12 Ų1267 Ų6712%0.12442%0.424CS..EExtended strand (participates in β ladder)trans92.2-161.8-176.900000113.3V271 E272G256-V271 WeakPolarHBondContact O-CA 3.44Å; G256-E272 PolarHBondContact N-O 3.29Å; G256-E272 PolarHBondContact O-N 3.44Å; G256-E272 VanDerWaalsContact O-N 3.15Å
257L94.5Very high88.4Confident53 Ų5367.8 Ų67.828%0.27741%0.413SS..EExtended strand (participates in β ladder)trans-83.1130.6-175.5172.161.9000111.7L269 V271 Y320 A321 I322L257-L269 HydrophobicContact CD1-CD1 3.26Å; L257-L269 HydrophobicContact CD1-CG 3.78Å; L257-V271 HydrophobicContact CB-CG2 4.38Å; L257-V271 HydrophobicContact CD1-CG2 3.67Å; L257-Y320 HydrophobicContact CB-CD1 3.93Å; L257-Y320 HydrophobicContact CB-CG 4.32Å; L257-A321 WeakPolarHBondContact CD2-O 3.34Å; L257-I322 HydrophobicContact CD2-CG2 4.3Å
258S94.8Very high88.7Confident27 Ų2767.2 Ų67.219%0.18941%0.407CS..EExtended strand (participates in β ladder)trans-141179.1171.369.20000111H270S258-H270 CarbonylContact C-O 3.59Å; S258-H270 PolarHBondContact N-O 3.47Å; S258-H270 PolarHBondContact O-N 3.28Å; S258-H270 VanDerWaalsContact O-O 3.08Å; S258-H270 PolarHBondContact OG-CD2 3.37Å; S258-H270 PolarHBondContact OG-O 3.16Å
259Y91.8Very high88.9Confident105 Ų10565.2 Ų65.241%0.41239%0.391SS..EExtended strand (participates in β ladder)trans-128.4145.9178.2-57.1-84.9000110.5R268 L269 P323 L346Y259-R268 VanDerWaalsContact CA-O 3.32Å; Y259-R268 WeakPolarHBondContact CA-O 3.47Å; Y259-L269 HydrophobicContact CE1-CD1 4.25Å; Y259-P323 HydrophobicContact CE1-CG 4.2Å; Y259-P323 VanDerWaalsContact OH-CD 3.25Å; Y259-P323 WeakPolarHBondContact OH-CD 3.48Å; Y259-L346 HydrophobicContact CD1-CD1 3.71Å; Y259-L346 HydrophobicContact CE1-CD1 3.77Å
260V91.1Very high89.1Confident30 Ų3064.6 Ų64.618%0.18239%0.387CS..EExtended strand (participates in β ladder)trans-126.1141.8-179.1-165.30000108.8K267 R268 H270V260-K267 CarbonylContact O-C 3.53Å; V260-K267 WeakPolarHBondContact O-CA 3.33Å; V260-R268 PolarHBondContact N-O 2.93Å; V260-R268 PolarHBondContact O-N 3.16Å; V260-H270 HydrophobicContact CG2-CB 3.39Å
261D87.3Confident89.4Confident114 Ų11459.8 Ų59.861%0.6136%0.358SS*.EExtended strand (participates in β ladder)trans-68.6135.9171.8-159-53.1000109.7G263D261-G263 VanDerWaalsContact C-N 3.29Å; D261-G263 WeakPolarHBondContact OD1-CA 3.32Å; D261-G263 PolarHBondContact OD1-N 3.29Å
262D82.4Confident89.6Confident65 Ų6558 Ų5835%0.34834%0.343SS..  trans-85.70.5177.270.512.8000113.8S264 G265 G266 R268D262-S264 PolarHBondContact O-N 3.47Å; D262-S264 VanDerWaalsContact OD1-CA 3.31Å; D262-S264 WeakPolarHBondContact OD1-CA 3.2Å; D262-S264 WeakPolarHBondContact OD1-CB 3.23Å; D262-S264 PolarHBondContact OD1-N 3.02Å; D262-S264 PolarHBondContact OD1-OG 3.36Å; D262-S264 PolarHBondContact OD2-OG 3.25Å; D262-G265 PolarHBondContact OD1-N 2.77Å; D262-G266 VanDerWaalsContact CG-CA 3.42Å; D262-G266 PolarHBondContact N-O 3.07Å; D262-G266 VanDerWaalsContact N-O 3.13Å; D262-G266 WeakPolarHBondContact OD1-CA 3.17Å; D262-G266 PolarHBondContact OD1-N 2.84Å; D262-G266 VanDerWaalsContact OD2-C 3.31Å; D262-G266 WeakPolarHBondContact OD2-CA 3.44Å; D262-G266 PolarHBondContact OD2-N 2.89Å; D262-R268 HydrophobicContact CB-CG 3.99Å
263G79.4Confident89.8Confident76 Ų7652.8 Ų52.878%0.78432%0.321SS*.SBendtrans79.9-8.4-178.300000114.2D261D261-G263 VanDerWaalsContact C-N 3.29Å; D261-G263 WeakPolarHBondContact OD1-CA 3.32Å; D261-G263 PolarHBondContact OD1-N 3.29Å
264S79.1Confident89.9Confident100 Ų10053.4 Ų53.470%0.69931%0.314SS*.SBendtrans-109.810.717772.30000112.8D262 G266D262-S264 PolarHBondContact O-N 3.47Å; D262-S264 VanDerWaalsContact OD1-CA 3.31Å; D262-S264 WeakPolarHBondContact OD1-CA 3.2Å; D262-S264 WeakPolarHBondContact OD1-CB 3.23Å; D262-S264 PolarHBondContact OD1-N 3.02Å; D262-S264 PolarHBondContact OD1-OG 3.36Å; D262-S264 PolarHBondContact OD2-OG 3.25Å; S264-G266 VanDerWaalsContact C-N 3.32Å
265G74.3Confident90Very high51 Ų5149.9 Ų49.953%0.52629%0.293SS..SBendtrans78.814.5-17600000113.6D262 K348D262-G265 PolarHBondContact OD1-N 2.77Å; G265-K348 PolarHBondContact O-NZ 2.87Å
266G79.4Confident90.1Very high7 Ų748.9 Ų48.97%0.07229%0.292CS..  trans-98.9-179.6163.900000111.7D262 S264D262-G266 VanDerWaalsContact CG-CA 3.42Å; D262-G266 PolarHBondContact N-O 3.07Å; D262-G266 VanDerWaalsContact N-O 3.13Å; D262-G266 WeakPolarHBondContact OD1-CA 3.17Å; D262-G266 PolarHBondContact OD1-N 2.84Å; D262-G266 VanDerWaalsContact OD2-C 3.31Å; D262-G266 WeakPolarHBondContact OD2-CA 3.44Å; D262-G266 PolarHBondContact OD2-N 2.89Å; S264-G266 VanDerWaalsContact C-N 3.32Å
267K87.1Confident89.9Confident129 Ų12953.2 Ų53.256%0.56132%0.318SS*.EExtended strand (participates in β ladder)trans-125.9145.7-179.8-69.6-174.7-179.6-177.30109.7V260 L346V260-K267 CarbonylContact O-C 3.53Å; V260-K267 WeakPolarHBondContact O-CA 3.33Å; K267-L346 HydrophobicContact CB-CD1 3.97Å; K267-L346 WeakPolarHBondContact O-CB 3.41Å; K267-L346 PolarHBondContact O-N 2.97Å; K267-L346 VanDerWaalsContact O-N 3.08Å
268R90.8Very high89.8Confident78 Ų7852.6 Ų52.629%0.29432%0.316SS..EExtended strand (participates in β ladder)trans-109.7141.1168.3-61.217970147.11.8109.4Y259 V260 D262 E343 A344Y259-R268 VanDerWaalsContact CA-O 3.32Å; Y259-R268 WeakPolarHBondContact CA-O 3.47Å; V260-R268 PolarHBondContact N-O 2.93Å; V260-R268 PolarHBondContact O-N 3.16Å; D262-R268 HydrophobicContact CB-CG 3.99Å; R268-E343 IonicContact CZ-OE2 2.81Å; R268-E343 IonicContact NE-OE2 3.79Å; R268-E343 PolarHBondContact NE-OE2 3.25Å; R268-E343 IonicContact NH2-OE2 2.69Å; R268-A344 CarbonylContact C-O 3.57Å; R268-A344 VanDerWaalsContact CA-O 3.24Å; R268-A344 WeakPolarHBondContact CA-O 3.25Å; R268-A344 WeakPolarHBondContact CB-O 3.16Å
269L93.4Very high89.8Confident0 Ų052.8 Ų52.80%031%0.313CS..EExtended strand (participates in β ladder)trans-61.6138160.8-164.482.8000108.7L257 Y259 V271 V293 I322 L342 E343 A344L257-L269 HydrophobicContact CD1-CD1 3.26Å; L257-L269 HydrophobicContact CD1-CG 3.78Å; Y259-L269 HydrophobicContact CE1-CD1 4.25Å; L269-V271 HydrophobicContact CD2-CG2 4.13Å; L269-V271 HydrophobicContact CG-CG2 4.22Å; L269-V293 HydrophobicContact CD2-CG2 3.49Å; L269-V293 VanDerWaalsContact CD2-CG2 3.49Å; L269-I322 HydrophobicContact CD1-CB 4.15Å; L269-I322 HydrophobicContact CD1-CG2 3.44Å; L269-I322 VanDerWaalsContact CD1-CG2 3.44Å; L269-I322 HydrophobicContact CD2-CG2 4.01Å; L269-I322 HydrophobicContact CG-CG2 4.37Å; L269-L342 HydrophobicContact CD2-CD1 4.06Å; L269-E343 WeakPolarHBondContact O-CA 3.44Å; L269-E343 WeakPolarHBondContact O-CB 3.41Å; L269-A344 HydrophobicContact CB-CB 4.41Å; L269-A344 PolarHBondContact N-O 3.48Å; L269-A344 PolarHBondContact O-N 3.1Å
270H95.3Very high89.8Confident0 Ų053 Ų530%032%0.316CS..EExtended strand (participates in β ladder)trans-138.8122169.6-179.797.9000109.8V250 S258 V260 E272 V341 L342 E343V250-H270 PolarHBondContact O-CE1 3.37Å; S258-H270 CarbonylContact C-O 3.59Å; S258-H270 PolarHBondContact N-O 3.47Å; S258-H270 PolarHBondContact O-N 3.28Å; S258-H270 VanDerWaalsContact O-O 3.08Å; S258-H270 PolarHBondContact OG-CD2 3.37Å; S258-H270 PolarHBondContact OG-O 3.16Å; V260-H270 HydrophobicContact CG2-CB 3.39Å; H270-E272 IonicContact NE2-OE1 3.56Å; H270-E272 PolarHBondContact NE2-OE1 3.45Å; H270-V341 VanDerWaalsContact CE1-CG1 3.43Å; H270-V341 WeakPolarHBondContact CE1-CG1 3.2Å; H270-L342 WeakPolarHBondContact CA-O 3.26Å; H270-E343 HydrophobicContact CB-CG 4.13Å; H270-E343 IonicContact CE1-OE1 3.56Å; H270-E343 IonicContact CG-OE1 3.16Å; H270-E343 WeakPolarHBondContact ND1-CG 3.41Å; H270-E343 IonicContact ND1-OE1 3.57Å; H270-E343 PolarHBondContact ND1-OE1 3.38Å
271V96.6Very high89.9Confident0 Ų052.8 Ų52.80%032%0.315CS..EExtended strand (participates in β ladder)trans-126.2129.6179.9-173.40000109.6G256 L257 L269 V273 Y320 V341 L342G256-V271 WeakPolarHBondContact O-CA 3.44Å; L257-V271 HydrophobicContact CB-CG2 4.38Å; L257-V271 HydrophobicContact CD1-CG2 3.67Å; L269-V271 HydrophobicContact CD2-CG2 4.13Å; L269-V271 HydrophobicContact CG-CG2 4.22Å; V271-V273 HydrophobicContact CG1-CG2 3.93Å; V271-Y320 HydrophobicContact CG1-CD2 3.65Å; V271-Y320 HydrophobicContact CG1-CE1 4.34Å; V271-Y320 HydrophobicContact CG1-CE2 3.44Å; V271-Y320 VanDerWaalsContact CG1-CE2 3.44Å; V271-Y320 HydrophobicContact CG1-CG 4.17Å; V271-V341 WeakPolarHBondContact O-CA 3.35Å; V271-L342 HydrophobicContact CB-CD1 3.8Å; V271-L342 HydrophobicContact CB-CD2 4.03Å; V271-L342 HydrophobicContact CB-CG 3.74Å; V271-L342 HydrophobicContact CG1-CD2 4.48Å; V271-L342 HydrophobicContact CG2-CD1 3.76Å; V271-L342 HydrophobicContact CG2-CG 4.28Å; V271-L342 PolarHBondContact N-O 3.36Å; V271-L342 PolarHBondContact O-N 2.96Å
272E97.3Very high90.1Very high1 Ų151.9 Ų51.91%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-112.1122.4171.7-70.1-177.8-143.400110.3K252 G253 V254 G256 H270 T339 L340 V341K252-E272 VanDerWaalsContact CA-OE1 3.27Å; K252-E272 WeakPolarHBondContact CA-OE1 3.31Å; K252-E272 VanDerWaalsContact CB-OE1 3.29Å; K252-E272 WeakPolarHBondContact CB-OE1 3.28Å; K252-E272 PolarHBondContact N-OE1 2.73Å; G253-E272 WeakPolarHBondContact CA-OE2 3.32Å; G253-E272 PolarHBondContact N-OE1 2.98Å; G253-E272 VanDerWaalsContact N-OE1 3.09Å; G253-E272 PolarHBondContact N-OE2 2.9Å; V254-E272 PolarHBondContact N-OE1 3.36Å; V254-E272 PolarHBondContact N-OE2 2.66Å; G256-E272 PolarHBondContact N-O 3.29Å; G256-E272 PolarHBondContact O-N 3.44Å; G256-E272 VanDerWaalsContact O-N 3.15Å; H270-E272 IonicContact NE2-OE1 3.56Å; H270-E272 PolarHBondContact NE2-OE1 3.45Å; E272-T339 HydrophobicContact CB-CG2 3.81Å; E272-T339 HydrophobicContact CG-CG2 4.13Å; E272-L340 CarbonylContact C-O 3.5Å; E272-L340 WeakPolarHBondContact CA-O 3.39Å; E272-V341 HydrophobicContact CG-CG2 4.42Å
273V96.6Very high90.6Very high0 Ų050.5 Ų50.50%030%0.299CS..EExtended strand (participates in β ladder)trans-119.3118.5177.6-172.30000108.9V271 V275 V295 F316 Y320 T339 L340V271-V273 HydrophobicContact CG1-CG2 3.93Å; V273-V275 WeakPolarHBondContact O-CG2 3.33Å; V273-V275 PolarHBondContact O-N 2.84Å; V273-V295 HydrophobicContact CG2-CB 4.39Å; V273-V295 HydrophobicContact CG2-CG1 4.44Å; V273-V295 HydrophobicContact CG2-CG2 4Å; V273-F316 HydrophobicContact CG1-CE2 4.49Å; V273-Y320 HydrophobicContact CG2-CE2 3.85Å; V273-T339 WeakPolarHBondContact O-CA 3.21Å; V273-L340 HydrophobicContact CB-CB 4.31Å; V273-L340 PolarHBondContact N-O 3.49Å; V273-L340 PolarHBondContact O-N 3.49Å
274P95.8Very high91.4Very high69 Ų6947 Ų4745%0.44826%0.263SS..EExtended strand (participates in β ladder)trans-60.3128.1168-20.531.9000110.1H255H255-P274 HydrophobicContact CB-CG 4.48Å
275V94.5Very high92.2Very high12 Ų1242.9 Ų42.97%0.07323%0.234CC..  trans-116.6129-179.5-177.80000109.4V273 Y279 L284 N338 L340V273-V275 WeakPolarHBondContact O-CG2 3.33Å; V273-V275 PolarHBondContact O-N 2.84Å; V275-Y279 HydrophobicContact CG1-CD2 4.1Å; V275-Y279 HydrophobicContact CG1-CG 4.29Å; V275-L284 HydrophobicContact CG1-CD1 4.21Å; V275-L284 HydrophobicContact CG1-CD2 4.13Å; V275-L284 HydrophobicContact CG2-CD1 4.27Å; V275-N338 PolarHBondContact N-O 3.2Å; V275-L340 HydrophobicContact CG2-CB 3.71Å
276D94.7Very high93.2Very high98 Ų9840.6 Ų40.652%0.52421%0.21SC..  trans-60.3133.8173.5-173.8-68.2000109.7V278 Y279D276-V278 HydrophobicContact CB-CG1 4.14Å; D276-V278 PolarHBondContact O-N 3.4Å; D276-V278 VanDerWaalsContact OD1-CB 3.29Å; D276-V278 WeakPolarHBondContact OD1-CB 3.39Å; D276-V278 WeakPolarHBondContact OD1-CG1 3.27Å; D276-V278 PolarHBondContact OD1-N 2.95Å; D276-Y279 HydrophobicContact CB-CD2 3.9Å; D276-Y279 HydrophobicContact CB-CE2 4.01Å; D276-Y279 PolarHBondContact O-N 3.46Å
277P92.4Very high93.9Very high103 Ų10340.8 Ų40.867%0.66921%0.209SC*.THydrogen-bonded Turntrans-54.6-16.5-178.8-16.819.9000115.5Y279 N338P277-Y279 VanDerWaalsContact C-N 3.26Å; P277-Y279 PolarHBondContact O-N 2.89Å; P277-N338 WeakPolarHBondContact CG-ND2 2.94Å
278V92.7Very high94.1Very high40 Ų4035 Ų3524%0.24219%0.185CC..THydrogen-bonded Turntrans-64.4-30.417476.80000112.7D276 H299D276-V278 HydrophobicContact CB-CG1 4.14Å; D276-V278 PolarHBondContact O-N 3.4Å; D276-V278 VanDerWaalsContact OD1-CB 3.29Å; D276-V278 WeakPolarHBondContact OD1-CB 3.39Å; D276-V278 WeakPolarHBondContact OD1-CG1 3.27Å; D276-V278 PolarHBondContact OD1-N 2.95Å; V278-H299 PolarHBondContact O-ND1 3.46Å
279Y94.5Very high93.8Very high30 Ų3034.2 Ų34.212%0.11819%0.186CC..  trans-86.3123179.8-60-79.9000110.1V275 D276 P277 D283 L284 H299 A314 E315 F316V275-Y279 HydrophobicContact CG1-CD2 4.1Å; V275-Y279 HydrophobicContact CG1-CG 4.29Å; D276-Y279 HydrophobicContact CB-CD2 3.9Å; D276-Y279 HydrophobicContact CB-CE2 4.01Å; D276-Y279 PolarHBondContact O-N 3.46Å; P277-Y279 VanDerWaalsContact C-N 3.26Å; P277-Y279 PolarHBondContact O-N 2.89Å; Y279-D283 HydrophobicContact CD1-CB 4.2Å; Y279-L284 HydrophobicContact CG-CD2 4.4Å; Y279-H299 HydrophobicContact CD1-CB 3.74Å; Y279-H299 HydrophobicContact CE1-CB 3.86Å; Y279-A314 HydrophobicContact CE1-CB 4.42Å; Y279-A314 VanDerWaalsContact OH-C 3.29Å; Y279-A314 WeakPolarHBondContact OH-CB 3.17Å; Y279-E315 PolarHBondContact OH-N 3.15Å; Y279-F316 HydrophobicContact CD1-CD1 4.37Å; Y279-F316 HydrophobicContact CD1-CE1 4.15Å; Y279-F316 HydrophobicContact CD2-CD1 4.13Å; Y279-F316 AromaticContact CD2-CE1 3.89Å; Y279-F316 HydrophobicContact CD2-CE1 3.89Å; Y279-F316 AromaticContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CE1 4.16Å; Y279-F316 AromaticContact CE2-CD1 3.64Å; Y279-F316 HydrophobicContact CE2-CD1 3.64Å; Y279-F316 AromaticContact CE2-CE1 3.9Å; Y279-F316 HydrophobicContact CE2-CE1 3.9Å; Y279-F316 HydrophobicContact CG-CD1 4.48Å; Y279-F316 HydrophobicContact CG-CE1 4.03Å; Y279-F316 AromaticContact CZ-CD1 3.53Å
280K92.4Very high93.1Very high111 Ų11134.5 Ų34.548%0.48319%0.188SC..  trans-89.2162.5170.5-58-178.8-176.5176.70110.1E282 D283 L284K280-E282 HydrophobicContact CB-CG 4.02Å; K280-E282 WeakPolarHBondContact CB-OE2 3.39Å; K280-E282 WeakPolarHBondContact CD-OE1 3.37Å; K280-E282 PolarHBondContact O-N 3.32Å; K280-E282 VanDerWaalsContact O-N 3.14Å; K280-D283 PolarHBondContact N-OD2 2.89Å; K280-D283 WeakPolarHBondContact O-CA 3.38Å; K280-D283 WeakPolarHBondContact O-CB 3.13Å; K280-D283 PolarHBondContact O-N 2.87Å; K280-L284 PolarHBondContact O-N 3.13Å
281P92.6Very high92.6Very high24 Ų2438.5 Ų38.516%0.15621%0.21CC..G310 helixtrans-52.7-35176.2-26.635.3000113.8R233 P234 D283 L284 V335R233-P281 WeakPolarHBondContact CG-O 3.28Å; P234-P281 WeakPolarHBondContact O-CB 3.33Å; P281-D283 VanDerWaalsContact C-N 3.28Å; P281-D283 PolarHBondContact O-N 2.83Å; P281-L284 PolarHBondContact O-N 3.23Å; P281-V335 HydrophobicContact CB-CG2 4.37Å; P281-V335 HydrophobicContact CG-CB 4.38Å; P281-V335 HydrophobicContact CG-CG2 4.06Å
282E91.7Very high92.3Very high96 Ų9644 Ų4445%0.44923%0.23SC..G310 helixtrans-67.2-22174.159.9-94.2-148.200115.1K280 L284K280-E282 HydrophobicContact CB-CG 4.02Å; K280-E282 WeakPolarHBondContact CB-OE2 3.39Å; K280-E282 WeakPolarHBondContact CD-OE1 3.37Å; K280-E282 PolarHBondContact O-N 3.32Å; K280-E282 VanDerWaalsContact O-N 3.14Å; E282-L284 VanDerWaalsContact C-N 3.31Å
283D93.4Very high92.2Very high35 Ų3543.9 Ų43.919%0.18723%0.23CC..G310 helixtrans-83.4-10.4175.1-58.7-46.1000111.9Y279 K280 P281 G297 R298 H299Y279-D283 HydrophobicContact CD1-CB 4.2Å; K280-D283 PolarHBondContact N-OD2 2.89Å; K280-D283 WeakPolarHBondContact O-CA 3.38Å; K280-D283 WeakPolarHBondContact O-CB 3.13Å; K280-D283 PolarHBondContact O-N 2.87Å; P281-D283 VanDerWaalsContact C-N 3.28Å; P281-D283 PolarHBondContact O-N 2.83Å; D283-G297 CarbonylContact O-C 3.57Å; D283-G297 WeakPolarHBondContact O-CA 3.27Å; D283-R298 PolarHBondContact O-N 2.98Å; D283-H299 HydrophobicContact CB-CB 4.45Å; D283-H299 IonicContact OD1-ND1 3.96Å; D283-H299 IonicContact OD2-CE1 3.51Å; D283-H299 IonicContact OD2-CG 3.4Å; D283-H299 IonicContact OD2-ND1 2.73Å; D283-H299 PolarHBondContact OD2-ND1 3.04Å
284L95.5Very high92.1Very high4 Ų445.3 Ų45.32%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-102.5148.1-172.7-60.9179.2000112.8P234 V275 Y279 K280 P281 E282 S296 F316 V335P234-L284 WeakPolarHBondContact CD-O 3.44Å; P234-L284 HydrophobicContact CG-CB 3.75Å; P234-L284 HydrophobicContact CG-CD1 4.13Å; V275-L284 HydrophobicContact CG1-CD1 4.21Å; V275-L284 HydrophobicContact CG1-CD2 4.13Å; V275-L284 HydrophobicContact CG2-CD1 4.27Å; Y279-L284 HydrophobicContact CG-CD2 4.4Å; K280-L284 PolarHBondContact O-N 3.13Å; P281-L284 PolarHBondContact O-N 3.23Å; E282-L284 VanDerWaalsContact C-N 3.31Å; L284-S296 WeakPolarHBondContact CA-O 3.25Å; L284-F316 HydrophobicContact CD2-CE1 3.71Å; L284-F316 HydrophobicContact CD2-CZ 3.7Å; L284-V335 HydrophobicContact CD1-CG2 3.74Å
285C95.3Very high92.1Very high13 Ų1342 Ų429%0.08822%0.217CC..EExtended strand (participates in β ladder)trans-141.6131.2-178.6-164.80000110.3A231 N287 V295 S296A231-C285 WeakPolarHBondContact CB-SG 3.47Å; C285-N287 PolarHBondContact SG-OD1 3.44Å; C285-V295 WeakPolarHBondContact O-CA 3.3Å; C285-S296 PolarHBondContact N-O 3.44Å; C285-S296 PolarHBondContact O-N 3.23Å
286V96.2Very high92.2Very high3 Ų342.9 Ų42.92%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-113.3115.7173.3-178.20000108.8A231 V232 P234 V293 V294 V295 V331 A333 L340 L342A231-V286 CarbonylContact C-O 3.54Å; A231-V286 WeakPolarHBondContact CA-O 3.17Å; A231-V286 WeakPolarHBondContact CB-O 3.36Å; V232-V286 HydrophobicContact CB-CB 4.35Å; V232-V286 PolarHBondContact N-O 3.06Å; V232-V286 WeakPolarHBondContact O-CB 3.46Å; V232-V286 PolarHBondContact O-N 2.57Å; P234-V286 HydrophobicContact CG-CG2 4.26Å; V286-V293 HydrophobicContact CG1-CG1 3.94Å; V286-V294 WeakPolarHBondContact CA-O 3.28Å; V286-V295 HydrophobicContact CG2-CG2 4.43Å; V286-V331 HydrophobicContact CG1-CG1 3.95Å; V286-A333 HydrophobicContact CG2-CB 4Å; V286-L340 HydrophobicContact CG2-CD2 4.03Å; V286-L342 HydrophobicContact CG1-CD2 3.91Å; V286-L342 HydrophobicContact CG2-CD2 4.21Å
287N94.2Very high92.2Very high10 Ų1038.3 Ų38.35%0.05320%0.199CC..EExtended strand (participates in β ladder)trans-113.4146.6176.2-75.9100.3000110.7N225 V230 A231 C285 V293 V294N225-N287 VanDerWaalsContact CB-OD1 3.28Å; N225-N287 WeakPolarHBondContact CB-OD1 3.29Å; N225-N287 VanDerWaalsContact ND2-CG 3.32Å; N225-N287 PolarHBondContact ND2-ND2 3.42Å; N225-N287 PolarHBondContact ND2-OD1 2.96Å; V230-N287 PolarHBondContact O-ND2 2.84Å; V230-N287 VanDerWaalsContact O-ND2 3.13Å; A231-N287 WeakPolarHBondContact CB-ND2 3.31Å; C285-N287 PolarHBondContact SG-OD1 3.44Å; N287-V293 WeakPolarHBondContact O-CA 3.42Å; N287-V294 HydrophobicContact CB-CB 4.45Å; N287-V294 PolarHBondContact N-O 2.68Å; N287-V294 PolarHBondContact O-N 2.78Å
288V91.4Very high92.3Very high9 Ų938 Ų386%0.05519%0.185CC..EExtended strand (participates in β ladder)trans-107.4113.3165.3-173.30000107.9R292 V293 I322 V326 P328 V331V288-R292 WeakPolarHBondContact CA-O 3.19Å; V288-V293 HydrophobicContact CG2-CG2 4.38Å; V288-I322 HydrophobicContact CG1-CD1 4.28Å; V288-V326 HydrophobicContact CG1-CB 4.19Å; V288-V326 WeakPolarHBondContact CG1-O 3.33Å; V288-V326 HydrophobicContact CG2-CG1 4.39Å; V288-P328 HydrophobicContact CB-CB 4.48Å; V288-P328 HydrophobicContact CB-CG 4.19Å; V288-V331 HydrophobicContact CG2-CG2 3.61Å
289D83.3Confident92.3Very high60 Ų6037.9 Ų37.932%0.32118%0.182SC..EExtended strand (participates in β ladder)trans-107.490.1172.4179.18.4000108.2K128 N291 R292K128-D289 WeakPolarHBondContact CD-OD1 3.39Å; K128-D289 IonicContact NZ-OD1 2.73Å; K128-D289 PolarHBondContact NZ-OD1 2.78Å; D289-N291 PolarHBondContact O-N 2.79Å; D289-R292 PolarHBondContact N-O 3.04Å; D289-R292 PolarHBondContact O-N 3.4Å
290S79.6Confident92Very high7 Ų740.9 Ų40.95%0.04920%0.197CC..THydrogen-bonded Turntrans61.4-95.9171.9-36.20000112.6D125 K128 T325D125-S290 VanDerWaalsContact CB-OG 3.31Å; D125-S290 WeakPolarHBondContact CB-OG 3.29Å; D125-S290 VanDerWaalsContact OD1-CB 3.27Å; D125-S290 WeakPolarHBondContact OD1-CB 3.3Å; K128-S290 WeakPolarHBondContact CD-OG 3.23Å; K128-S290 PolarHBondContact NZ-OG 2.84Å; S290-T325 WeakPolarHBondContact O-CA 3.47Å; S290-T325 PolarHBondContact O-OG1 2.84Å
291N83.7Confident91.7Very high83 Ų8340 Ų4044%0.44419%0.193SC..THydrogen-bonded Turntrans-104.420.9179.467.2-5.5000112.7D289 A321 I322D289-N291 PolarHBondContact O-N 2.79Å; N291-A321 CarbonylContact O-C 3.58Å; N291-A321 WeakPolarHBondContact O-CA 3.36Å; N291-I322 WeakPolarHBondContact O-CG1 3.43Å; N291-I322 PolarHBondContact O-N 2.86Å
292R91Very high91.1Very high115 Ų11544.9 Ų44.943%0.43421%0.213SC..EExtended strand (participates in β ladder)trans-138.5141.3177.6-66.2172.8-173.8-120.30.2111.7V288 D289 Y320V288-R292 WeakPolarHBondContact CA-O 3.19Å; D289-R292 PolarHBondContact N-O 3.04Å; D289-R292 PolarHBondContact O-N 3.4Å; R292-Y320 CarbonylContact C-O 3.57Å; R292-Y320 WeakPolarHBondContact CA-O 3.47Å
293V93.9Very high90Very high0 Ų047.7 Ų47.70%022%0.224CC..EExtended strand (participates in β ladder)trans-93.5130.1158.2178.80000108.1L269 V286 N287 V288 S319 Y320 I322 L342L269-V293 HydrophobicContact CD2-CG2 3.49Å; L269-V293 VanDerWaalsContact CD2-CG2 3.49Å; V286-V293 HydrophobicContact CG1-CG1 3.94Å; N287-V293 WeakPolarHBondContact O-CA 3.42Å; V288-V293 HydrophobicContact CG2-CG2 4.38Å; V293-S319 CarbonylContact O-C 3.55Å; V293-S319 VanDerWaalsContact O-CA 3.31Å; V293-S319 WeakPolarHBondContact O-CA 3.48Å; V293-Y320 PolarHBondContact N-O 2.84Å; V293-Y320 PolarHBondContact O-N 3.25Å; V293-I322 HydrophobicContact CG2-CD1 4.12Å; V293-I322 HydrophobicContact CG2-CG2 4Å; V293-L342 HydrophobicContact CG1-CD1 4.11Å; V293-L342 HydrophobicContact CG1-CD2 3.98Å
294V95.3Very high88.9Confident30 Ų3051 Ų5118%0.18225%0.251CS..EExtended strand (participates in β ladder)trans-115.2123.8176.7-175.20000108V286 N287 Q318V286-V294 WeakPolarHBondContact CA-O 3.28Å; N287-V294 HydrophobicContact CB-CB 4.45Å; N287-V294 PolarHBondContact N-O 2.68Å; N287-V294 PolarHBondContact O-N 2.78Å; V294-Q318 CarbonylContact C-O 3.57Å; V294-Q318 WeakPolarHBondContact CA-O 3.27Å
295V96.2Very high87.9Confident0 Ų055.4 Ų55.40%027%0.274CS..EExtended strand (participates in β ladder)trans-105.9122.6170.3176.50000107.2V273 C285 V286 F316 S317 Q318 L340 L342V273-V295 HydrophobicContact CG2-CB 4.39Å; V273-V295 HydrophobicContact CG2-CG1 4.44Å; V273-V295 HydrophobicContact CG2-CG2 4Å; C285-V295 WeakPolarHBondContact O-CA 3.3Å; V286-V295 HydrophobicContact CG2-CG2 4.43Å; V295-F316 HydrophobicContact CG1-CE2 3.91Å; V295-F316 HydrophobicContact CG1-CZ 4.17Å; V295-S317 CarbonylContact O-C 3.49Å; V295-S317 WeakPolarHBondContact O-CA 3.47Å; V295-Q318 PolarHBondContact N-O 3.23Å; V295-Q318 PolarHBondContact O-N 3.43Å; V295-L340 HydrophobicContact CB-CD2 4.31Å; V295-L340 HydrophobicContact CG1-CD2 3.35Å; V295-L340 HydrophobicContact CG2-CD2 3.96Å; V295-L342 HydrophobicContact CG2-CD2 3.72Å
296S96.1Very high87Confident30 Ų3064.3 Ų64.321%0.2131%0.314CS..EExtended strand (participates in β ladder)trans-126.6156.9173.158.50000111.1L284 C285 F316L284-S296 WeakPolarHBondContact CA-O 3.25Å; C285-S296 PolarHBondContact N-O 3.44Å; C285-S296 PolarHBondContact O-N 3.23Å; S296-F316 VanDerWaalsContact CA-O 3.27Å; S296-F316 WeakPolarHBondContact CA-O 3.26Å; S296-F316 WeakPolarHBondContact CB-O 3.39Å
297G95Very high85.7Confident1 Ų173 Ų731%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-145.6140.9170.100000111.2D283 E315 F316D283-G297 CarbonylContact O-C 3.57Å; D283-G297 WeakPolarHBondContact O-CA 3.27Å; G297-E315 CarbonylContact O-C 3.58Å; G297-E315 VanDerWaalsContact O-CA 3.22Å; G297-E315 WeakPolarHBondContact O-CA 3.38Å; G297-F316 PolarHBondContact N-O 3.38Å; G297-F316 PolarHBondContact O-N 3.48Å
298R94Very high84.4Confident97 Ų9774.5 Ų74.537%0.36637%0.372SS..EExtended strand (participates in β ladder)trans-137.3114.1176.5-177179-83.8177.72.7109.8E226 D283 F313 A314 E315E226-R298 VanDerWaalsContact CD-NH2 3.3Å; E226-R298 IonicContact OE1-CZ 2.82Å; E226-R298 IonicContact OE1-NE 3.41Å; E226-R298 PolarHBondContact OE1-NE 2.82Å; E226-R298 IonicContact OE1-NH1 2.78Å; E226-R298 PolarHBondContact OE1-NH1 2.94Å; E226-R298 IonicContact OE1-NH2 2.91Å; E226-R298 PolarHBondContact OE1-NH2 2.98Å; E226-R298 IonicContact OE2-CZ 3.38Å; E226-R298 VanDerWaalsContact OE2-CZ 3.23Å; E226-R298 IonicContact OE2-NH1 2.77Å; E226-R298 PolarHBondContact OE2-NH1 2.89Å; E226-R298 VanDerWaalsContact OE2-NH1 3.16Å; E226-R298 IonicContact OE2-NH2 3.8Å; E226-R298 PolarHBondContact OE2-NH2 3.13Å; D283-R298 PolarHBondContact O-N 2.98Å; R298-F313 HydrophobicContact CG-CB 4.34Å; R298-F313 HydrophobicContact CG-CD2 4.01Å; R298-F313 HydrophobicContact CG-CG 4.41Å; R298-A314 CarbonylContact C-O 3.58Å; R298-A314 WeakPolarHBondContact CA-O 3.41Å; R298-E315 IonicContact CZ-OE1 2.66Å; R298-E315 VanDerWaalsContact CZ-OE1 3.24Å; R298-E315 IonicContact NE-OE1 3.79Å; R298-E315 PolarHBondContact NE-OE1 3.34Å; R298-E315 IonicContact NE-OE2 3.21Å; R298-E315 IonicContact NH2-OE1 2.7Å; R298-E315 PolarHBondContact NH2-OE1 2.91Å; R298-E315 IonicContact NH2-OE2 3.61Å; R298-E315 PolarHBondContact NH2-OE2 2.95Å
299H92.9Very high83.6Confident37 Ų3784.1 Ų84.117%0.17141%0.407CS..EExtended strand (participates in β ladder)trans-113.4121.7-179.6-179.581.5000111V278 Y279 D283 F313 A314V278-H299 PolarHBondContact O-ND1 3.46Å; Y279-H299 HydrophobicContact CD1-CB 3.74Å; Y279-H299 HydrophobicContact CE1-CB 3.86Å; D283-H299 HydrophobicContact CB-CB 4.45Å; D283-H299 IonicContact OD1-ND1 3.96Å; D283-H299 IonicContact OD2-CE1 3.51Å; D283-H299 IonicContact OD2-CG 3.4Å; D283-H299 IonicContact OD2-ND1 2.73Å; D283-H299 PolarHBondContact OD2-ND1 3.04Å; H299-F313 CarbonylContact O-C 3.54Å; H299-F313 WeakPolarHBondContact O-CA 3.45Å; H299-F313 WeakPolarHBondContact O-CB 3.42Å; H299-A314 PolarHBondContact N-O 2.94Å; H299-A314 PolarHBondContact O-N 3.1Å
300H89.2Confident83.4Confident93 Ų9384.7 Ų84.743%0.43142%0.416SS..EExtended strand (participates in β ladder)trans-89125.8-177.4-160.779.4000112.1S311H300-S311 PolarHBondContact CE1-OG 3.44Å; H300-S311 WeakPolarHBondContact NE2-CB 3.36Å; H300-S311 PolarHBondContact NE2-OG 2.93Å
301K85.7Confident83.6Confident93 Ų9387.9 Ų87.940%0.40444%0.438SS..EExtended strand (participates in β ladder)trans-106.9107.7177.7-63.9-179.9-177176.40109.3S312K301-S312 PolarHBondContact N-O 3.46Å; K301-S312 PolarHBondContact O-N 3.13Å
302Q79.2Confident83.9Confident126 Ų12686.9 Ų86.959%0.58944%0.438SS*.EExtended strand (participates in β ladder)trans-90.1124.2167.5-73.7-170.9-1.200110.2
303K68.8Low83.8Confident155 Ų15586.5 Ų86.567%0.67444%0.439SS*.EExtended strand (participates in β ladder)trans-112.3124.9163.8-78.1-175176.6-1780108.5S310K303-S310 PolarHBondContact N-O 3.43Å; K303-S310 PolarHBondContact O-N 3.45Å; K303-S310 VanDerWaalsContact O-O 3.1Å
304S71.3Confident83.8Confident106 Ų10687.5 Ų87.574%0.74145%0.448SS*.EExtended strand (participates in β ladder)trans-103.3110165.764.80000108.5
305D73.5Confident83.7Confident96 Ų9690.6 Ų90.651%0.51346%0.46SS..EExtended strand (participates in β ladder)trans-113.5164.8172.830.5-12.3000110.1H307 G308D305-H307 PolarHBondContact O-N 2.88Å; D305-G308 PolarHBondContact N-O 2.95Å; D305-G308 PolarHBondContact O-N 2.95Å; D305-G308 VanDerWaalsContact O-N 3.16Å
306Q75.7Confident83.7Confident199 Ų19992.9 Ų92.993%0.9347%0.47SS*.THydrogen-bonded Turntrans-60.2-13.2-175.3-68.6-175.3-6.300113.8
307H68.9Low83.7Confident187 Ų18795.7 Ų95.787%0.86649%0.49SS*.THydrogen-bonded Turntrans-103.11-177.3-72.176.7000114.4D305D305-H307 PolarHBondContact O-N 2.88Å
308G68.5Low83.7Confident41 Ų4199.5 Ų99.542%0.42351%0.507SS..EExtended strand (participates in β ladder)trans144.9177176.900000113.5D305D305-G308 PolarHBondContact N-O 2.95Å; D305-G308 PolarHBondContact O-N 2.95Å; D305-G308 VanDerWaalsContact O-N 3.16Å
309R73.8Confident83.7Confident210 Ų21097.7 Ų97.779%0.79251%0.51SS*.EExtended strand (participates in β ladder)trans-92.5112.7174-128.4176.5179164.3-1.5108.1
310S78.3Confident83.8Confident72 Ų7297.1 Ų97.150%0.50351%0.506SS..EExtended strand (participates in β ladder)trans-105.4127172.9-173.10000109.8K303K303-S310 PolarHBondContact N-O 3.43Å; K303-S310 PolarHBondContact O-N 3.45Å; K303-S310 VanDerWaalsContact O-O 3.1Å
311S84.1Confident83.9Confident75 Ų7595.8 Ų95.852%0.52451%0.511SS..EExtended strand (participates in β ladder)trans-113.5123.8177.6114.40000108.3H300H300-S311 PolarHBondContact CE1-OG 3.44Å; H300-S311 WeakPolarHBondContact NE2-CB 3.36Å; H300-S311 PolarHBondContact NE2-OG 2.93Å
312S90Very high84.1Confident61 Ų6191.8 Ų91.843%0.42749%0.494SS..EExtended strand (participates in β ladder)trans-125167.5168.662.70000109.6K301K301-S312 PolarHBondContact N-O 3.46Å; K301-S312 PolarHBondContact O-N 3.13Å
313F89.8Confident84.1Confident107 Ų10789.8 Ų89.847%0.46949%0.492SS..EExtended strand (participates in β ladder)trans-137.2150.6171.760.2-88.6000109.9R298 H299 E315R298-F313 HydrophobicContact CG-CB 4.34Å; R298-F313 HydrophobicContact CG-CD2 4.01Å; R298-F313 HydrophobicContact CG-CG 4.41Å; H299-F313 CarbonylContact O-C 3.54Å; H299-F313 WeakPolarHBondContact O-CA 3.45Å; H299-F313 WeakPolarHBondContact O-CB 3.42Å; F313-E315 HydrophobicContact CD2-CB 3.96Å; F313-E315 HydrophobicContact CE2-CB 4.05Å
314A92.7Very high84.5Confident22 Ų2286.1 Ų86.118%0.18248%0.478CS..EExtended strand (participates in β ladder)trans-98.8138.1164.600000107.7Y279 R298 H299Y279-A314 HydrophobicContact CE1-CB 4.42Å; Y279-A314 VanDerWaalsContact OH-C 3.29Å; Y279-A314 WeakPolarHBondContact OH-CB 3.17Å; R298-A314 CarbonylContact C-O 3.58Å; R298-A314 WeakPolarHBondContact CA-O 3.41Å; H299-A314 PolarHBondContact N-O 2.94Å; H299-A314 PolarHBondContact O-N 3.1Å
315E94.8Very high84.7Confident95 Ų9583.1 Ų83.144%0.44446%0.455SS..EExtended strand (participates in β ladder)trans-140.1146.4-179.5176.1171.9-12500111Y279 G297 R298 F313Y279-E315 PolarHBondContact OH-N 3.15Å; G297-E315 CarbonylContact O-C 3.58Å; G297-E315 VanDerWaalsContact O-CA 3.22Å; G297-E315 WeakPolarHBondContact O-CA 3.38Å; R298-E315 IonicContact CZ-OE1 2.66Å; R298-E315 VanDerWaalsContact CZ-OE1 3.24Å; R298-E315 IonicContact NE-OE1 3.79Å; R298-E315 PolarHBondContact NE-OE1 3.34Å; R298-E315 IonicContact NE-OE2 3.21Å; R298-E315 IonicContact NH2-OE1 2.7Å; R298-E315 PolarHBondContact NH2-OE1 2.91Å; R298-E315 IonicContact NH2-OE2 3.61Å; R298-E315 PolarHBondContact NH2-OE2 2.95Å; F313-E315 HydrophobicContact CD2-CB 3.96Å; F313-E315 HydrophobicContact CE2-CB 4.05Å
316F95.5Very high85.4Confident47 Ų4778.5 Ų78.521%0.20643%0.43CS..EExtended strand (participates in β ladder)trans-142.1157.5166.377.3-81.7000111V273 Y279 L284 V295 S296 G297V273-F316 HydrophobicContact CG1-CE2 4.49Å; Y279-F316 HydrophobicContact CD1-CD1 4.37Å; Y279-F316 HydrophobicContact CD1-CE1 4.15Å; Y279-F316 HydrophobicContact CD2-CD1 4.13Å; Y279-F316 AromaticContact CD2-CE1 3.89Å; Y279-F316 HydrophobicContact CD2-CE1 3.89Å; Y279-F316 AromaticContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CD1 3.91Å; Y279-F316 HydrophobicContact CE1-CE1 4.16Å; Y279-F316 AromaticContact CE2-CD1 3.64Å; Y279-F316 HydrophobicContact CE2-CD1 3.64Å; Y279-F316 AromaticContact CE2-CE1 3.9Å; Y279-F316 HydrophobicContact CE2-CE1 3.9Å; Y279-F316 HydrophobicContact CG-CD1 4.48Å; Y279-F316 HydrophobicContact CG-CE1 4.03Å; Y279-F316 AromaticContact CZ-CD1 3.53Å; L284-F316 HydrophobicContact CD2-CE1 3.71Å; L284-F316 HydrophobicContact CD2-CZ 3.7Å; V295-F316 HydrophobicContact CG1-CE2 3.91Å; V295-F316 HydrophobicContact CG1-CZ 4.17Å; S296-F316 VanDerWaalsContact CA-O 3.27Å; S296-F316 WeakPolarHBondContact CA-O 3.26Å; S296-F316 WeakPolarHBondContact CB-O 3.39Å; G297-F316 PolarHBondContact N-O 3.38Å; G297-F316 PolarHBondContact O-N 3.48Å
317S95.2Very high86Confident89 Ų8969.3 Ų69.362%0.62239%0.387SS*.EExtended strand (participates in β ladder)trans-144.6129.7170.1-179.10000109.2V295V295-S317 CarbonylContact O-C 3.49Å; V295-S317 WeakPolarHBondContact O-CA 3.47Å
318Q94.9Very high87.1Confident81 Ų8160.8 Ų60.838%0.37935%0.349SS..EExtended strand (participates in β ladder)trans-129.8133.8178-168.6160.86.200109.1V294 V295 Y320V294-Q318 CarbonylContact C-O 3.57Å; V294-Q318 WeakPolarHBondContact CA-O 3.27Å; V295-Q318 PolarHBondContact N-O 3.23Å; V295-Q318 PolarHBondContact O-N 3.43Å; Q318-Y320 HydrophobicContact CB-CE2 4.5Å; Q318-Y320 HydrophobicContact CG-CE2 3.82Å; Q318-Y320 PolarHBondContact NE2-OH 3.18Å
319S95.1Very high88.1Confident59 Ų5959 Ų5941%0.41333%0.329SS..EExtended strand (participates in β ladder)trans-124.1144.2-179.369.90000111.6V293V293-S319 CarbonylContact O-C 3.55Å; V293-S319 VanDerWaalsContact O-CA 3.31Å; V293-S319 WeakPolarHBondContact O-CA 3.48Å
320Y94.8Very high88.9Confident26 Ų2650.3 Ų50.310%0.10230%0.301CS..EExtended strand (participates in β ladder)trans-126.7122.8177.9-59.5-85.4000108.8L257 V271 V273 R292 V293 Q318 I322L257-Y320 HydrophobicContact CB-CD1 3.93Å; L257-Y320 HydrophobicContact CB-CG 4.32Å; V271-Y320 HydrophobicContact CG1-CD2 3.65Å; V271-Y320 HydrophobicContact CG1-CE1 4.34Å; V271-Y320 HydrophobicContact CG1-CE2 3.44Å; V271-Y320 VanDerWaalsContact CG1-CE2 3.44Å; V271-Y320 HydrophobicContact CG1-CG 4.17Å; V273-Y320 HydrophobicContact CG2-CE2 3.85Å; R292-Y320 CarbonylContact C-O 3.57Å; R292-Y320 WeakPolarHBondContact CA-O 3.47Å; V293-Y320 PolarHBondContact N-O 2.84Å; V293-Y320 PolarHBondContact O-N 3.25Å; Q318-Y320 HydrophobicContact CB-CE2 4.5Å; Q318-Y320 HydrophobicContact CG-CE2 3.82Å; Q318-Y320 PolarHBondContact NE2-OH 3.18Å; Y320-I322 PolarHBondContact O-N 3.3Å
321A91.9Very high89.6Confident65 Ų6547 Ų4754%0.53728%0.277SS..EExtended strand (participates in β ladder)trans-69129.1172.600000109.7L257 N291L257-A321 WeakPolarHBondContact CD2-O 3.34Å; N291-A321 CarbonylContact O-C 3.58Å; N291-A321 WeakPolarHBondContact O-CA 3.36Å
322I88.7Confident90Very high9 Ų945.2 Ų45.25%0.04627%0.265CS..  trans-113.7148.6177.860.8172.2000109.3L257 L269 V288 N291 V293 Y320 E324 V326L257-I322 HydrophobicContact CD2-CG2 4.3Å; L269-I322 HydrophobicContact CD1-CB 4.15Å; L269-I322 HydrophobicContact CD1-CG2 3.44Å; L269-I322 VanDerWaalsContact CD1-CG2 3.44Å; L269-I322 HydrophobicContact CD2-CG2 4.01Å; L269-I322 HydrophobicContact CG-CG2 4.37Å; V288-I322 HydrophobicContact CG1-CD1 4.28Å; N291-I322 WeakPolarHBondContact O-CG1 3.43Å; N291-I322 PolarHBondContact O-N 2.86Å; V293-I322 HydrophobicContact CG2-CD1 4.12Å; V293-I322 HydrophobicContact CG2-CG2 4Å; Y320-I322 PolarHBondContact O-N 3.3Å; I322-E324 VanDerWaalsContact C-N 3.31Å; I322-E324 WeakPolarHBondContact CD1-O 3.37Å; I322-E324 WeakPolarHBondContact CG1-O 3.42Å; I322-E324 PolarHBondContact O-N 3.44Å; I322-V326 HydrophobicContact CD1-CB 4.14Å; I322-V326 HydrophobicContact CD1-CG2 3.83Å
323P79.5Confident90.3Very high84 Ų8442.5 Ų42.555%0.54525%0.246SC..SBendtrans-73.1-27.5-170.927.8-34.5000112.7Y259Y259-P323 HydrophobicContact CE1-CG 4.2Å; Y259-P323 VanDerWaalsContact OH-CD 3.25Å; Y259-P323 WeakPolarHBondContact OH-CD 3.48Å
324E77.3Confident90.5Very high78 Ų7837.5 Ų37.536%0.36422%0.224SC..SBendtrans-138.9154.8-174.2-65.4177.4168.100109.1I322I322-E324 VanDerWaalsContact C-N 3.31Å; I322-E324 WeakPolarHBondContact CD1-O 3.37Å; I322-E324 WeakPolarHBondContact CG1-O 3.42Å; I322-E324 PolarHBondContact O-N 3.44Å
325T75.6Confident90.5Very high42 Ų4237.2 Ų37.226%0.25822%0.22SC..  trans-65.5139.1175.7-160.50000109.7S124 L127 S290S124-T325 WeakPolarHBondContact O-CB 3.48Å; S124-T325 PolarHBondContact O-OG1 2.75Å; L127-T325 HydrophobicContact CD1-CG2 4.1Å; S290-T325 WeakPolarHBondContact O-CA 3.47Å; S290-T325 PolarHBondContact O-OG1 2.84Å
326V87.8Confident90.3Very high0 Ų035.1 Ų35.10%021%0.214CC..  trans-114.2135.8177.4165.20000106.9V288 I322 P328 V331 A344 L346V288-V326 HydrophobicContact CG1-CB 4.19Å; V288-V326 WeakPolarHBondContact CG1-O 3.33Å; V288-V326 HydrophobicContact CG2-CG1 4.39Å; I322-V326 HydrophobicContact CD1-CB 4.14Å; I322-V326 HydrophobicContact CD1-CG2 3.83Å; V326-P328 WeakPolarHBondContact O-CD 3.38Å; V326-P328 VanDerWaalsContact O-N 3.16Å; V326-V331 HydrophobicContact CG1-CG2 3.95Å; V326-A344 HydrophobicContact CG1-CB 3.44Å; V326-A344 VanDerWaalsContact CG1-CB 3.44Å; V326-L346 HydrophobicContact CG2-CD2 4.02Å
327D89.3Confident90.1Very high6 Ų635.5 Ų35.53%0.03223%0.231CC..  trans-60.4117.3170.7177.113.1000109.6Y131 P190 S192 L329 S330Y131-D327 WeakPolarHBondContact CE2-OD1 3.48Å; Y131-D327 VanDerWaalsContact CZ-OD1 3.29Å; Y131-D327 PolarHBondContact OH-OD1 3.08Å; P190-D327 HydrophobicContact CB-CB 4.28Å; P190-D327 WeakPolarHBondContact CB-OD2 3.29Å; S192-D327 WeakPolarHBondContact CB-OD2 3.41Å; S192-D327 PolarHBondContact OG-OD1 3.04Å; S192-D327 PolarHBondContact OG-OD2 2.82Å; D327-L329 PolarHBondContact O-N 3.44Å; D327-L329 VanDerWaalsContact O-N 3.12Å; D327-L329 PolarHBondContact OD1-N 3.05Å; D327-L329 VanDerWaalsContact OD1-N 3.12Å; D327-S330 WeakPolarHBondContact O-CB 3.41Å; D327-S330 PolarHBondContact O-N 2.86Å; D327-S330 PolarHBondContact O-OG 3.48Å
328P90.6Very high89.9Confident8 Ų835.4 Ų35.45%0.05222%0.224CC..G310 helixtrans-50-36.2176.5-24.830.1000113.3Y131 V288 V326 S330 V331Y131-P328 HydrophobicContact CD2-CB 4.37Å; Y131-P328 HydrophobicContact CD2-CG 3.99Å; Y131-P328 HydrophobicContact CE2-CB 4.45Å; Y131-P328 HydrophobicContact CE2-CG 3.97Å; V288-P328 HydrophobicContact CB-CB 4.48Å; V288-P328 HydrophobicContact CB-CG 4.19Å; V326-P328 WeakPolarHBondContact O-CD 3.38Å; V326-P328 VanDerWaalsContact O-N 3.16Å; P328-S330 PolarHBondContact O-N 2.8Å; P328-V331 PolarHBondContact O-N 2.97Å
329L91.3Very high89.9Confident3 Ų332.6 Ų32.62%0.01621%0.212CC..G310 helixtrans-82.23.7179-59.1-170.6000113.4Y131 V214 Q220 L222 V230 D327Y131-L329 HydrophobicContact CD1-CD1 3.64Å; Y131-L329 HydrophobicContact CD1-CG 4.08Å; Y131-L329 HydrophobicContact CE1-CD1 3.38Å; Y131-L329 HydrophobicContact CE1-CG 3.86Å; Y131-L329 HydrophobicContact CE2-CG 4.36Å; Y131-L329 HydrophobicContact CG-CD1 4.4Å; Y131-L329 HydrophobicContact CG-CG 4.39Å; V214-L329 HydrophobicContact CB-CD1 3.6Å; V214-L329 HydrophobicContact CG1-CD1 3.66Å; V214-L329 HydrophobicContact CG2-CD1 3.81Å; Q220-L329 PolarHBondContact NE2-O 2.95Å; Q220-L329 PolarHBondContact OE1-O 3.08Å; L222-L329 HydrophobicContact CD1-CD2 3.74Å; L222-L329 HydrophobicContact CD2-CD2 3.53Å; L222-L329 HydrophobicContact CG-CD2 4.3Å; V230-L329 HydrophobicContact CG1-CD2 3.91Å; D327-L329 PolarHBondContact O-N 3.44Å; D327-L329 VanDerWaalsContact O-N 3.12Å; D327-L329 PolarHBondContact OD1-N 3.05Å; D327-L329 VanDerWaalsContact OD1-N 3.12Å
330S90.2Very high89.9Confident27 Ų2729.8 Ų29.819%0.18919%0.192CC..G310 helixtrans-98.6-8.5171.474.50000112.9D327 P328 S332D327-S330 WeakPolarHBondContact O-CB 3.41Å; D327-S330 PolarHBondContact O-N 2.86Å; D327-S330 PolarHBondContact O-OG 3.48Å; P328-S330 PolarHBondContact O-N 2.8Å; S330-S332 PolarHBondContact O-N 3.31Å
331V92.7Very high90Very high2 Ų228.6 Ų28.61%0.01219%0.187CC..  trans-74.5126.2-177.1-178.70000110.3V232 V286 V288 V326 P328 L342 A344V232-V331 HydrophobicContact CG2-CB 4.11Å; V286-V331 HydrophobicContact CG1-CG1 3.95Å; V288-V331 HydrophobicContact CG2-CG2 3.61Å; V326-V331 HydrophobicContact CG1-CG2 3.95Å; P328-V331 PolarHBondContact O-N 2.97Å; V331-L342 HydrophobicContact CG1-CB 4.39Å; V331-A344 HydrophobicContact CG2-CB 3.98Å
332S92.7Very high90.2Very high39 Ų3925.5 Ų25.527%0.27316%0.162SC..EExtended strand (participates in β ladder)trans-101.5135167-63.90000109.1L249 S330 L342 E343L249-S332 WeakPolarHBondContact CD1-O 3.47Å; S330-S332 PolarHBondContact O-N 3.31Å; S332-L342 CarbonylContact O-C 3.59Å; S332-L342 WeakPolarHBondContact O-CA 3.24Å; S332-L342 WeakPolarHBondContact O-CB 3.45Å; S332-E343 PolarHBondContact N-O 3.04Å; S332-E343 PolarHBondContact O-N 2.93Å
333A95Very high90.4Very high4 Ų426.1 Ų26.13%0.03317%0.165CC..EExtended strand (participates in β ladder)trans-139.1136.4179.300000111.6V232 P234 K235 V286 L340 V341 L342V232-A333 HydrophobicContact CG1-CB 4.04Å; P234-A333 WeakPolarHBondContact CA-O 3.01Å; P234-A333 HydrophobicContact CB-CB 4.2Å; P234-A333 HydrophobicContact CG-CB 4.2Å; K235-A333 PolarHBondContact N-O 2.98Å; V286-A333 HydrophobicContact CG2-CB 4Å; A333-L340 HydrophobicContact CB-CD1 4.27Å; A333-V341 CarbonylContact C-O 3.53Å; A333-V341 WeakPolarHBondContact CA-O 3.47Å; A333-L342 HydrophobicContact CB-CB 4.09Å
334Q94.3Very high91Very high1 Ų122.1 Ų22.11%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-145.9138.8-176.8-60.9-177.219.200109.9K235 I240 Q247 L249 V336 V341K235-Q334 HydrophobicContact CB-CG 4.23Å; K235-Q334 HydrophobicContact CD-CG 4.29Å; I240-Q334 HydrophobicContact CD1-CB 3.88Å; I240-Q334 HydrophobicContact CD1-CG 4.4Å; I240-Q334 HydrophobicContact CG1-CB 4.24Å; I240-Q334 HydrophobicContact CG1-CG 4.2Å; Q247-Q334 PolarHBondContact O-NE2 2.95Å; L249-Q334 HydrophobicContact CB-CB 4.31Å; L249-Q334 HydrophobicContact CB-CG 4.28Å; L249-Q334 HydrophobicContact CD1-CB 4.31Å; L249-Q334 HydrophobicContact CD1-CG 4.04Å; L249-Q334 HydrophobicContact CG-CG 4.1Å; L249-Q334 VanDerWaalsContact N-OE1 3.08Å; Q334-V336 HydrophobicContact CB-CG2 4.46Å; Q334-V341 PolarHBondContact N-O 2.87Å; Q334-V341 PolarHBondContact O-N 3.26Å
335V93.6Very high91.6Very high16 Ų1620.9 Ų20.910%0.09714%0.137CC..EExtended strand (participates in β ladder)trans-88.5117.7167.6-177.90000108P234 K235 I240 P281 L284 G337 L340P234-V335 HydrophobicContact CB-CG2 3.93Å; K235-V335 PolarHBondContact O-N 2.9Å; I240-V335 WeakPolarHBondContact CD1-O 3.38Å; P281-V335 HydrophobicContact CB-CG2 4.37Å; P281-V335 HydrophobicContact CG-CB 4.38Å; P281-V335 HydrophobicContact CG-CG2 4.06Å; L284-V335 HydrophobicContact CD1-CG2 3.74Å; V335-G337 WeakPolarHBondContact CG1-O 3.34Å; V335-L340 HydrophobicContact CG2-CD1 4.32Å
336V91.3Very high91.8Very high52 Ų5220 Ų2032%0.31513%0.131SC..EExtended strand (participates in β ladder)trans-110.7101177-176.40000107.7Q334 N338 T339 V341Q334-V336 HydrophobicContact CB-CG2 4.46Å; V336-N338 PolarHBondContact O-N 3.44Å; V336-N338 VanDerWaalsContact O-N 3.11Å; V336-T339 PolarHBondContact N-O 2.85Å; V336-T339 PolarHBondContact O-N 3.32Å; V336-T339 VanDerWaalsContact O-N 3.13Å; V336-V341 HydrophobicContact CB-CG2 4.29Å; V336-V341 HydrophobicContact CG2-CG2 4.03Å
337G89.6Confident90.8Very high54 Ų5422.8 Ų22.856%0.55714%0.144SC*.THydrogen-bonded Turntrans64.5-109-17100000111.2V335V335-G337 WeakPolarHBondContact CG1-O 3.34Å
338N91.7Very high89.3Confident88 Ų8828.7 Ų28.747%0.47117%0.169SC..THydrogen-bonded Turntrans-112.818.9178.5-74.283.8000112.8V275 P277 V336V275-N338 PolarHBondContact N-O 3.2Å; P277-N338 WeakPolarHBondContact CG-ND2 2.94Å; V336-N338 PolarHBondContact O-N 3.44Å; V336-N338 VanDerWaalsContact O-N 3.11Å
339T94.5Very high87.4Confident22 Ų2233.1 Ų33.114%0.13519%0.189CC..EExtended strand (participates in β ladder)trans-123.6121.4-179.2-59.40000109.3E272 V273 V336 V341E272-T339 HydrophobicContact CB-CG2 3.81Å; E272-T339 HydrophobicContact CG-CG2 4.13Å; V273-T339 WeakPolarHBondContact O-CA 3.21Å; V336-T339 PolarHBondContact N-O 2.85Å; V336-T339 PolarHBondContact O-N 3.32Å; V336-T339 VanDerWaalsContact O-N 3.13Å; T339-V341 HydrophobicContact CG2-CG2 4.2Å; T339-V341 PolarHBondContact O-N 3.35Å
340L96.3Very high85Confident0 Ų039.1 Ų39.10%022%0.217CC..EExtended strand (participates in β ladder)trans-72.8120.9164.3172.264.7000108.1P234 E272 V273 V275 V286 V295 A333 V335P234-L340 HydrophobicContact CB-CD1 3.51Å; P234-L340 HydrophobicContact CG-CD1 3.35Å; P234-L340 HydrophobicContact CG-CD2 4.33Å; P234-L340 HydrophobicContact CG-CG 4.48Å; E272-L340 CarbonylContact C-O 3.5Å; E272-L340 WeakPolarHBondContact CA-O 3.39Å; V273-L340 HydrophobicContact CB-CB 4.31Å; V273-L340 PolarHBondContact N-O 3.49Å; V273-L340 PolarHBondContact O-N 3.49Å; V275-L340 HydrophobicContact CG2-CB 3.71Å; V286-L340 HydrophobicContact CG2-CD2 4.03Å; V295-L340 HydrophobicContact CB-CD2 4.31Å; V295-L340 HydrophobicContact CG1-CD2 3.35Å; V295-L340 HydrophobicContact CG2-CD2 3.96Å; A333-L340 HydrophobicContact CB-CD1 4.27Å; V335-L340 HydrophobicContact CG2-CD1 4.32Å
341V95.9Very high82.2Confident0 Ų041.5 Ų41.50%024%0.238CC..EExtended strand (participates in β ladder)trans-108.9129.6172.3-170.40000107.9L249 A251 H270 V271 E272 A333 Q334 V336 T339L249-V341 HydrophobicContact CB-CB 4.17Å; L249-V341 HydrophobicContact CB-CG1 3.9Å; L249-V341 HydrophobicContact CD1-CB 4.45Å; L249-V341 HydrophobicContact CD1-CG1 4.28Å; L249-V341 WeakPolarHBondContact CD1-O 3.45Å; A251-V341 HydrophobicContact CB-CG2 3.87Å; H270-V341 VanDerWaalsContact CE1-CG1 3.43Å; H270-V341 WeakPolarHBondContact CE1-CG1 3.2Å; V271-V341 WeakPolarHBondContact O-CA 3.35Å; E272-V341 HydrophobicContact CG-CG2 4.42Å; A333-V341 CarbonylContact C-O 3.53Å; A333-V341 WeakPolarHBondContact CA-O 3.47Å; Q334-V341 PolarHBondContact N-O 2.87Å; Q334-V341 PolarHBondContact O-N 3.26Å; V336-V341 HydrophobicContact CB-CG2 4.29Å; V336-V341 HydrophobicContact CG2-CG2 4.03Å; T339-V341 HydrophobicContact CG2-CG2 4.2Å; T339-V341 PolarHBondContact O-N 3.35Å
342L95.3Very high79.2Confident0 Ų046.2 Ų46.20%026%0.262CS..EExtended strand (participates in β ladder)trans-130.5143.9170.667.193.6000111.2L269 H270 V271 V286 V293 V295 V331 S332 A333L269-L342 HydrophobicContact CD2-CD1 4.06Å; H270-L342 WeakPolarHBondContact CA-O 3.26Å; V271-L342 HydrophobicContact CB-CD1 3.8Å; V271-L342 HydrophobicContact CB-CD2 4.03Å; V271-L342 HydrophobicContact CB-CG 3.74Å; V271-L342 HydrophobicContact CG1-CD2 4.48Å; V271-L342 HydrophobicContact CG2-CD1 3.76Å; V271-L342 HydrophobicContact CG2-CG 4.28Å; V271-L342 PolarHBondContact N-O 3.36Å; V271-L342 PolarHBondContact O-N 2.96Å; V286-L342 HydrophobicContact CG1-CD2 3.91Å; V286-L342 HydrophobicContact CG2-CD2 4.21Å; V293-L342 HydrophobicContact CG1-CD1 4.11Å; V293-L342 HydrophobicContact CG1-CD2 3.98Å; V295-L342 HydrophobicContact CG2-CD2 3.72Å; V331-L342 HydrophobicContact CG1-CB 4.39Å; S332-L342 CarbonylContact O-C 3.59Å; S332-L342 WeakPolarHBondContact O-CA 3.24Å; S332-L342 WeakPolarHBondContact O-CB 3.45Å; A333-L342 HydrophobicContact CB-CB 4.09Å
343E94.5Very high76Confident23 Ų2350.9 Ų50.911%0.10729%0.289CS..EExtended strand (participates in β ladder)trans-135.9146.2173.5-69.1-166.6172.700111.8L249 R268 L269 H270 S332L249-E343 HydrophobicContact CD2-CB 3.94Å; L249-E343 HydrophobicContact CD2-CG 3.84Å; R268-E343 IonicContact CZ-OE2 2.81Å; R268-E343 IonicContact NE-OE2 3.79Å; R268-E343 PolarHBondContact NE-OE2 3.25Å; R268-E343 IonicContact NH2-OE2 2.69Å; L269-E343 WeakPolarHBondContact O-CA 3.44Å; L269-E343 WeakPolarHBondContact O-CB 3.41Å; H270-E343 HydrophobicContact CB-CG 4.13Å; H270-E343 IonicContact CE1-OE1 3.56Å; H270-E343 IonicContact CG-OE1 3.16Å; H270-E343 WeakPolarHBondContact ND1-CG 3.41Å; H270-E343 IonicContact ND1-OE1 3.57Å; H270-E343 PolarHBondContact ND1-OE1 3.38Å; S332-E343 PolarHBondContact N-O 3.04Å; S332-E343 PolarHBondContact O-N 2.93Å
344A92.1Very high73Confident0 Ų061.8 Ų61.80%034%0.339CS..EExtended strand (participates in β ladder)trans-148.1145.2174.400000111R268 L269 V326 V331R268-A344 CarbonylContact C-O 3.57Å; R268-A344 VanDerWaalsContact CA-O 3.24Å; R268-A344 WeakPolarHBondContact CA-O 3.25Å; R268-A344 WeakPolarHBondContact CB-O 3.16Å; L269-A344 HydrophobicContact CB-CB 4.41Å; L269-A344 PolarHBondContact N-O 3.48Å; L269-A344 PolarHBondContact O-N 3.1Å; V326-A344 HydrophobicContact CG1-CB 3.44Å; V326-A344 VanDerWaalsContact CG1-CB 3.44Å; V331-A344 HydrophobicContact CG2-CB 3.98Å
345P88.7Confident71.9Confident51 Ų5164.9 Ų64.933%0.33136%0.356SS..EExtended strand (participates in β ladder)trans-64.5136.5172.328.8-33.5000110.4
346L81.3Confident70.8Confident25 Ų2567.4 Ų67.413%0.13137%0.37CS..  trans-83.6117.6164.9-66.8168.8000107.8Y259 K267 V326 K348Y259-L346 HydrophobicContact CD1-CD1 3.71Å; Y259-L346 HydrophobicContact CE1-CD1 3.77Å; K267-L346 HydrophobicContact CB-CD1 3.97Å; K267-L346 WeakPolarHBondContact O-CB 3.41Å; K267-L346 PolarHBondContact O-N 2.97Å; K267-L346 VanDerWaalsContact O-N 3.08Å; V326-L346 HydrophobicContact CG2-CD2 4.02Å; L346-K348 PolarHBondContact O-N 2.76Å; L346-K348 VanDerWaalsContact O-N 3.12Å
347E67Low69.6Low57 Ų5768.3 Ų68.327%0.26637%0.373SS..  trans-72105.9174.6-67.1-147155.900109.2Q349E347-Q349 PolarHBondContact O-N 2.94Å
348K56.7Low68.5Low131 Ų13169.1 Ų69.157%0.5736%0.362SS*.  trans-53.2121166.3-70.6-178.7-178.9174.10107.3G265 L346 H350G265-K348 PolarHBondContact O-NZ 2.87Å; L346-K348 PolarHBondContact O-N 2.76Å; L346-K348 VanDerWaalsContact O-N 3.12Å; K348-H350 PolarHBondContact O-N 3.49Å
349Q50Low67Low101 Ų10167.9 Ų67.947%0.47236%0.355SS..  trans-52.8114.9158.4-74-162.9-23.600105.3H99 E347 A351H99-Q349 PolarHBondContact NE2-NE2 2.83Å; E347-Q349 PolarHBondContact O-N 2.94Å; Q349-A351 VanDerWaalsContact C-N 3.27Å; Q349-A351 PolarHBondContact O-N 2.81Å
350H41.9Very low65.2Low129 Ų12971 Ų7160%0.59737%0.37SS*.  trans-58.3100.1177.5-77.193.4000106.3K348 I352K348-H350 PolarHBondContact O-N 3.49Å; H350-I352 VanDerWaalsContact C-N 3.25Å; H350-I352 PolarHBondContact O-N 3.19Å
351A30.8Very low63Low76 Ų7676.1 Ų76.163%0.62840%0.396SS*.  trans-59105154.100000103.4Q349 T353Q349-A351 VanDerWaalsContact C-N 3.27Å; Q349-A351 PolarHBondContact O-N 2.81Å; A351-T353 VanDerWaalsContact C-N 3.32Å; A351-T353 PolarHBondContact O-N 2.91Å; A351-T353 PolarHBondContact O-OG1 2.95Å
352I29.2Very low60.4Low102 Ų10281.9 Ų81.952%0.52343%0.426SS..  trans-49.9107.2174.6-69.5159.6000104.9E92 H350 H354E92-I352 WeakPolarHBondContact O-CD1 3.37Å; H350-I352 VanDerWaalsContact C-N 3.25Å; H350-I352 PolarHBondContact O-N 3.19Å; I352-H354 PolarHBondContact O-N 3.18Å
353T26.1Very low57.5Low136 Ų13688.8 Ų88.883%0.83446%0.462SS*.  trans-75.9118.4-177.1-44.60000105A351A351-T353 VanDerWaalsContact C-N 3.32Å; A351-T353 PolarHBondContact O-N 2.91Å; A351-T353 PolarHBondContact O-OG1 2.95Å
354H32Very low54.2Low234 Ų23494.7 Ų94.7100%1.08349%0.494SS*.  trans-46.70-172.7-70.5-79.2000115I352I352-H354 PolarHBondContact O-N 3.18Å

Retrieved 354 of 354 residues in 301.6 ms (Link to these results)

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