A0A077Z2Q0_TRITR Loading...

B9 domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A077Z2Q0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 290 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
1M42.9Very low60.9Low247 Ų247113.6 Ų113.6100%1.21766%0.659SS**  0100.10-78.2-17917600107.7T3M1-T3 PolarHBondContact O-N 3.14Å
2A43.1Very low63.7Low104 Ų104108.1 Ų108.186%0.8663%0.625SS**  trans-76.2115.4171.900000107.3E4A2-E4 PolarHBondContact O-N 3.42Å; A2-E4 VanDerWaalsContact O-N 3.14Å
3T48.6Very low66.1Low136 Ų13699.8 Ų99.883%0.83458%0.577SS**  trans-58.1113.4168.942.20000108M1 A5M1-T3 PolarHBondContact O-N 3.14Å; T3-A5 PolarHBondContact O-N 2.97Å
4E44Very low68.3Low186 Ų18696.6 Ų96.687%0.86956%0.556SS**  trans-48.4117.5167.1-88.1-168.3144.200108.2A2 S6A2-E4 PolarHBondContact O-N 3.42Å; A2-E4 VanDerWaalsContact O-N 3.14Å; E4-S6 PolarHBondContact O-N 2.79Å
5A49.6Very low70.2Confident90 Ų9090.1 Ų90.174%0.74452%0.519SS*.  trans-69.882.6169.100000107.1T3 Y7T3-A5 PolarHBondContact O-N 2.97Å; A5-Y7 PolarHBondContact O-N 3.05Å
6S56.5Low71.8Confident105 Ų10587.6 Ų87.673%0.73451%0.508SS*.  trans-47.4112.4169.6178.80000107.6E4 P8E4-S6 PolarHBondContact O-N 2.79Å; S6-P8 WeakPolarHBondContact O-CD 3.39Å; S6-P8 VanDerWaalsContact O-N 3.1Å
7Y56.3Low73.2Confident213 Ų21383.5 Ų83.584%0.83549%0.489SS*.  trans-54120173.2-70.7-88.8000106.5A5 S9A5-Y7 PolarHBondContact O-N 3.05Å; Y7-S9 PolarHBondContact O-N 2.87Å
8P62.1Low74.5Confident48 Ų4882.7 Ų82.731%0.31248%0.479SS..  trans-64.3108.9-179.922-27000107.2S6 S10 K185S6-P8 WeakPolarHBondContact O-CD 3.39Å; S6-P8 VanDerWaalsContact O-N 3.1Å; P8-S10 PolarHBondContact O-N 3.2Å; P8-K185 HydrophobicContact CG-CB 4.19Å; P8-K185 HydrophobicContact CG-CD 3.33Å; P8-K185 HydrophobicContact CG-CG 4.42Å
9S83.1Confident75.7Confident92 Ų9278.3 Ų78.364%0.64345%0.454SS*.  trans-69.7-13.6-175.783.40000112.4Y7 T82Y7-S9 PolarHBondContact O-N 2.87Å; S9-T82 WeakPolarHBondContact O-CG2 3.35Å
10S91.4Very high76.7Confident28 Ų2876.6 Ų76.620%0.19644%0.442CS..  trans-134.6151.9-177.664.40000111.6P8 S81P8-S10 PolarHBondContact O-N 3.2Å; S10-S81 CarbonylContact C-O 3.54Å; S10-S81 VanDerWaalsContact CA-O 3.29Å; S10-S81 WeakPolarHBondContact CA-O 3.21Å; S10-S81 WeakPolarHBondContact CB-O 3.1Å
11F92.8Very high77.5Confident1 Ų173.3 Ų73.30%0.00442%0.423CS..EExtended strand (participates in β ladder)trans-100.1159.4165.566.3-84.3000110.6W42 R80 S81 W87 K181 L183 L186F11-W42 AromaticContact CE2-CH2 3.61Å; F11-W42 HydrophobicContact CE2-CH2 3.61Å; F11-W42 HydrophobicContact CE2-CZ2 4.24Å; F11-W42 HydrophobicContact CE2-CZ3 4.14Å; F11-W42 AromaticContact CZ-CH2 3.83Å; F11-W42 HydrophobicContact CZ-CH2 3.83Å; F11-W42 AromaticContact CZ-CZ2 3.97Å; F11-W42 HydrophobicContact CZ-CZ2 3.97Å; F11-R80 WeakPolarHBondContact O-CA 3.48Å; F11-S81 WeakPolarHBondContact CD1-O 3.34Å; F11-S81 WeakPolarHBondContact CE1-O 3.48Å; F11-S81 PolarHBondContact N-O 3.29Å; F11-S81 PolarHBondContact O-N 2.71Å; F11-S81 VanDerWaalsContact O-N 3.1Å; F11-W87 HydrophobicContact CE2-CZ3 4.36Å; F11-K181 CarbonylContact C-O 3.59Å; F11-K181 WeakPolarHBondContact CA-O 2.97Å; F11-K181 WeakPolarHBondContact CB-O 3.47Å; F11-L183 HydrophobicContact CB-CB 4.48Å; F11-L183 HydrophobicContact CB-CD1 4.46Å; F11-L183 HydrophobicContact CD1-CD1 4.18Å; F11-L183 HydrophobicContact CD2-CD1 3.82Å; F11-L183 HydrophobicContact CE1-CD1 4.37Å; F11-L183 HydrophobicContact CE2-CD1 4.04Å; F11-L183 HydrophobicContact CG-CD1 3.89Å; F11-L183 HydrophobicContact CZ-CD1 4.3Å; F11-L186 HydrophobicContact CB-CD1 4.02Å; F11-L186 HydrophobicContact CD1-CD1 3.48Å; F11-L186 VanDerWaalsContact CD1-CD1 3.48Å; F11-L186 HydrophobicContact CE1-CD1 4.44Å; F11-L186 HydrophobicContact CG-CD1 4.21Å
12L94.3Very high80Confident47 Ų4761.6 Ų61.625%0.24637%0.365CS..EExtended strand (participates in β ladder)trans-115.1141175.5-61.6172.9000109.7V45 F79 R80 A180 K181L12-V45 HydrophobicContact CD2-CG2 4.26Å; L12-F79 CarbonylContact C-O 3.53Å; L12-F79 VanDerWaalsContact CA-O 3.29Å; L12-F79 WeakPolarHBondContact CA-O 3.33Å; L12-R80 HydrophobicContact CD2-CB 3.65Å; L12-R80 HydrophobicContact CD2-CG 3.86Å; L12-A180 WeakPolarHBondContact O-CA 3.34Å; L12-K181 HydrophobicContact CB-CB 4.36Å; L12-K181 HydrophobicContact CD1-CD 4.47Å; L12-K181 PolarHBondContact N-O 3.03Å; L12-K181 PolarHBondContact O-N 3.5Å
13L95.2Very high82.4Confident1 Ų158.8 Ų58.81%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-126.6111.3174.4-178.672.7000108.5V15 W42 F79 W87 P88 V113 I178 A180L13-V15 HydrophobicContact CD2-CG2 4.27Å; L13-V15 HydrophobicContact CG-CG2 4.18Å; L13-W42 HydrophobicContact CB-CZ3 4.08Å; L13-W42 HydrophobicContact CD2-CH2 3.93Å; L13-W42 HydrophobicContact CD2-CZ3 3.72Å; L13-F79 HydrophobicContact CB-CB 4.28Å; L13-F79 HydrophobicContact CD2-CD2 4.46Å; L13-F79 PolarHBondContact N-O 3.42Å; L13-F79 PolarHBondContact O-N 3.13Å; L13-W87 HydrophobicContact CD1-CH2 4.04Å; L13-W87 HydrophobicContact CD1-CZ2 4.01Å; L13-W87 HydrophobicContact CD2-CH2 3.8Å; L13-W87 HydrophobicContact CD2-CZ2 3.47Å; L13-W87 VanDerWaalsContact CD2-CZ2 3.47Å; L13-W87 HydrophobicContact CG-CZ2 4.4Å; L13-P88 HydrophobicContact CD2-CG 4.35Å; L13-V113 HydrophobicContact CD2-CG1 4.14Å; L13-I178 HydrophobicContact CD1-CG2 3.54Å; L13-A180 HydrophobicContact CD1-CB 4.25Å
14L96.2Very high84.4Confident54 Ų5452.4 Ų52.428%0.28330%0.295SS..EExtended strand (participates in β ladder)trans-96.6125.317417771.2000108.9T78 I178 I179L14-T78 WeakPolarHBondContact CD1-OG1 3.37Å; L14-I178 WeakPolarHBondContact O-CA 3.29Å; L14-I179 HydrophobicContact CB-CB 4.17Å; L14-I179 HydrophobicContact CD2-CB 4.41Å; L14-I179 HydrophobicContact CD2-CD1 3.97Å; L14-I179 PolarHBondContact N-O 3.32Å; L14-I179 PolarHBondContact O-N 2.91Å
15V96.7Very high86.4Confident0 Ų051.3 Ų51.30%028%0.284CS..EExtended strand (participates in β ladder)trans-116.4104178.4-174.70000107.4L13 F36 I75 D76 L77 F79 V113 I178L13-V15 HydrophobicContact CD2-CG2 4.27Å; L13-V15 HydrophobicContact CG-CG2 4.18Å; V15-F36 HydrophobicContact CG1-CE1 4.28Å; V15-F36 HydrophobicContact CG1-CZ 4.16Å; V15-I75 HydrophobicContact CG1-CG2 4.5Å; V15-D76 WeakPolarHBondContact O-CA 3.39Å; V15-L77 PolarHBondContact N-O 3.04Å; V15-L77 PolarHBondContact O-N 3.06Å; V15-F79 HydrophobicContact CG2-CD2 4.21Å; V15-F79 HydrophobicContact CG2-CE2 4.17Å; V15-V113 HydrophobicContact CG1-CG1 4.39Å; V15-V113 HydrophobicContact CG2-CG1 3.65Å; V15-V113 HydrophobicContact CG2-CG2 4.43Å; V15-I178 HydrophobicContact CB-CD1 4.23Å; V15-I178 HydrophobicContact CG1-CD1 3.87Å; V15-I178 HydrophobicContact CG2-CD1 4.01Å
16S96.5Very high88.1Confident50 Ų5050.4 Ų50.435%0.3528%0.283SS..EExtended strand (participates in β ladder)trans-116149.4175.51730000109.2I75 M176 Q177S16-I75 CarbonylContact C-O 3.56Å; S16-I75 WeakPolarHBondContact CA-O 3.41Å; S16-M176 CarbonylContact O-C 3.59Å; S16-Q177 PolarHBondContact N-O 2.82Å; S16-Q177 WeakPolarHBondContact O-CA 3.22Å; S16-Q177 WeakPolarHBondContact O-CB 3.07Å; S16-Q177 PolarHBondContact O-N 2.93Å
17G96Very high89.5Confident17 Ų1745.7 Ų45.718%0.17525%0.25CS..EExtended strand (participates in β ladder)trans166.3-160.1-178.800000113.5I75 T175G17-I75 PolarHBondContact N-O 3.41Å; G17-I75 PolarHBondContact O-N 2.87Å; G17-T175 CarbonylContact C-O 3.54Å; G17-T175 WeakPolarHBondContact CA-O 3.42Å
18Q96.6Very high91Very high69 Ų6938.6 Ų38.632%0.32223%0.232SC..EExtended strand (participates in β ladder)trans-155.9152.5174.162.4-172.5-17.200111.7E20 F73 T175Q18-E20 HydrophobicContact CG-CG 3.88Å; Q18-E20 PolarHBondContact O-N 2.63Å; Q18-F73 CarbonylContact C-O 3.54Å; Q18-F73 WeakPolarHBondContact CA-O 3.43Å; Q18-F73 WeakPolarHBondContact CB-O 3.36Å; Q18-T175 PolarHBondContact N-O 2.81Å; Q18-T175 PolarHBondContact O-N 2.84Å
19I96.6Very high92.4Very high0 Ų037 Ų370%022%0.221CC..EExtended strand (participates in β ladder)trans-82.1106.3163.2-51.7-176.7000106.4C32 Y34 L71 N72 F73 I75 I92 V172I19-C32 WeakPolarHBondContact CD1-SG 3.4Å; I19-Y34 HydrophobicContact CD1-CD1 4.01Å; I19-L71 HydrophobicContact CG2-CD1 3.83Å; I19-N72 CarbonylContact O-C 3.43Å; I19-N72 VanDerWaalsContact O-CA 3.28Å; I19-N72 WeakPolarHBondContact O-CA 3.41Å; I19-N72 PolarHBondContact O-N 2.82Å; I19-F73 HydrophobicContact CB-CB 4.34Å; I19-F73 HydrophobicContact CD1-CD1 4.31Å; I19-F73 PolarHBondContact N-O 3.21Å; I19-F73 PolarHBondContact O-N 3Å; I19-I75 HydrophobicContact CD1-CD1 4.36Å; I19-I75 HydrophobicContact CG1-CD1 3.66Å; I19-I75 HydrophobicContact CG1-CG1 4.19Å; I19-I92 HydrophobicContact CD1-CD1 4.3Å; I19-I92 HydrophobicContact CD1-CG1 4.38Å; I19-V172 HydrophobicContact CG2-CG1 3.5Å; I19-V172 VanDerWaalsContact CG2-CG1 3.5Å
20E95.4Very high92.9Very high44 Ų4432.6 Ų32.621%0.20619%0.19CC..EExtended strand (participates in β ladder)trans-74.9-58.6-171.2-67.2-178.9164.700110.6Q18 L71 N72 R119 T173 T175Q18-E20 HydrophobicContact CG-CG 3.88Å; Q18-E20 PolarHBondContact O-N 2.63Å; E20-L71 PolarHBondContact O-N 2.93Å; E20-N72 PolarHBondContact O-N 2.73Å; E20-N72 VanDerWaalsContact O-N 3.17Å; E20-R119 IonicContact OE1-NH2 3.63Å; E20-T173 PolarHBondContact N-O 2.85Å; E20-T175 WeakPolarHBondContact OE1-CB 3.38Å; E20-T175 PolarHBondContact OE1-OG1 2.91Å; E20-T175 PolarHBondContact OE2-OG1 2.87Å
21S94.3Very high93.1Very high8 Ų833 Ų336%0.05619%0.188CC..EExtended strand (participates in β ladder)trans-150.5154.3-177.166.60000112.8Q68 F69 T173S21-Q68 PolarHBondContact OG-NE2 3.47Å; S21-F69 CarbonylContact C-O 3.6Å; S21-F69 WeakPolarHBondContact CA-O 3.38Å; S21-F69 VanDerWaalsContact CB-O 3.27Å; S21-F69 WeakPolarHBondContact CB-O 3.46Å; S21-T173 PolarHBondContact N-O 2.84Å; S21-T173 PolarHBondContact O-N 3.08Å
22A94.6Very high93.2Very high0 Ų033 Ų330%019%0.188CC..EExtended strand (participates in β ladder)trans-115.1140.8170.100000109.9F24 V30 Q68 F69 L71 S171 V172A22-F24 HydrophobicContact CB-CD2 3.97Å; A22-F24 HydrophobicContact CB-CE2 3.83Å; A22-V30 HydrophobicContact CB-CG1 4.39Å; A22-Q68 CarbonylContact O-C 3.35Å; A22-Q68 WeakPolarHBondContact O-CA 3.35Å; A22-F69 HydrophobicContact CB-CB 4.39Å; A22-F69 PolarHBondContact N-O 2.85Å; A22-F69 PolarHBondContact O-N 3.2Å; A22-L71 HydrophobicContact CB-CD1 4.02Å; A22-S171 CarbonylContact C-O 3.57Å; A22-V172 HydrophobicContact CB-CG2 3.91Å
23E92.8Very high93.2Very high45 Ų4534.9 Ų34.921%0.2119%0.191CC..EExtended strand (participates in β ladder)trans-116.8112.7177.3-67.1169.6-15400108.2D67 Q68 K123 G170 S171E23-D67 CarbonylContact C-O 3.51Å; E23-D67 VanDerWaalsContact CA-O 3.26Å; E23-D67 WeakPolarHBondContact CA-O 3.48Å; E23-Q68 HydrophobicContact CG-CB 4.37Å; E23-Q68 HydrophobicContact CG-CG 4.21Å; E23-K123 IonicContact OE1-NZ 3.72Å; E23-K123 PolarHBondContact OE1-NZ 2.94Å; E23-K123 IonicContact OE2-NZ 2.71Å; E23-K123 PolarHBondContact OE2-NZ 3.47Å; E23-G170 CarbonylContact O-C 3.54Å; E23-G170 WeakPolarHBondContact O-CA 2.98Å; E23-S171 PolarHBondContact N-O 2.86Å; E23-S171 PolarHBondContact O-N 3.34Å; E23-S171 PolarHBondContact OE2-OG 2.91Å
24F91.3Very high93.1Very high2 Ų235.2 Ų35.21%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-143127.4178.6-70.1-80.6000112A22 V27 V30 D67 F69 C94 R106 M126 V172A22-F24 HydrophobicContact CB-CD2 3.97Å; A22-F24 HydrophobicContact CB-CE2 3.83Å; F24-V27 HydrophobicContact CB-CB 4.37Å; F24-V27 HydrophobicContact CB-CG2 3.51Å; F24-V27 HydrophobicContact CG-CG2 4.37Å; F24-V30 HydrophobicContact CD2-CG1 4.22Å; F24-V30 HydrophobicContact CD2-CG2 4.02Å; F24-V30 HydrophobicContact CE2-CG1 4.17Å; F24-D67 PolarHBondContact N-O 3Å; F24-D67 WeakPolarHBondContact O-CB 3.4Å; F24-F69 HydrophobicContact CB-CE2 4.31Å; F24-C94 HydrophobicContact CE2-CB 3.55Å; F24-C94 HydrophobicContact CZ-CB 3.47Å; F24-C94 VanDerWaalsContact CZ-CB 3.47Å; F24-R106 HydrophobicContact CD1-CB 4.3Å; F24-R106 HydrophobicContact CE1-CB 4.16Å; F24-R106 HydrophobicContact CZ-CB 4.49Å; F24-M126 HydrophobicContact CE1-CB 3.77Å; F24-M126 HydrophobicContact CE1-CG 4.07Å; F24-M126 HydrophobicContact CZ-CB 3.87Å; F24-M126 HydrophobicContact CZ-CE 4.41Å; F24-M126 HydrophobicContact CZ-CG 3.67Å; F24-V172 HydrophobicContact CE2-CG2 4.31Å; F24-V172 HydrophobicContact CZ-CG2 4.47Å
25Y86.9Confident93.1Very high164 Ų16433 Ų3364%0.64318%0.182SC*.THydrogen-bonded Turntrans-80.2137.5-179.7-58.2-80.9000112.1V27 D67Y25-V27 VanDerWaalsContact C-N 3.3Å; Y25-V27 PolarHBondContact O-N 3.5Å; Y25-D67 HydrophobicContact CD1-CB 4.04Å; Y25-D67 WeakPolarHBondContact CD1-OD2 3.47Å; Y25-D67 HydrophobicContact CE1-CB 4.18Å; Y25-D67 VanDerWaalsContact CE1-OD2 3.29Å; Y25-D67 WeakPolarHBondContact CE1-OD2 3.37Å
26G84.2Confident92.9Very high70 Ų7033.3 Ų33.372%0.72218%0.183SC*.THydrogen-bonded Turntrans69.326.5173.500000114.2R106G26-R106 PolarHBondContact O-NH1 3.4Å
27V86.6Confident92.7Very high6 Ų631.6 Ų31.64%0.03617%0.172CC..  trans-111140.3173.2-170.70000108.9F24 Y25 D29 V30 F69 R106F24-V27 HydrophobicContact CB-CB 4.37Å; F24-V27 HydrophobicContact CB-CG2 3.51Å; F24-V27 HydrophobicContact CG-CG2 4.37Å; Y25-V27 VanDerWaalsContact C-N 3.3Å; Y25-V27 PolarHBondContact O-N 3.5Å; V27-D29 WeakPolarHBondContact CG1-O 3.23Å; V27-V30 HydrophobicContact CB-CG2 4.15Å; V27-V30 HydrophobicContact CG1-CG2 3.52Å; V27-V30 HydrophobicContact CG2-CG2 4.47Å; V27-F69 HydrophobicContact CB-CE2 4.35Å; V27-F69 HydrophobicContact CB-CZ 4.06Å; V27-F69 HydrophobicContact CG1-CZ 4.33Å; V27-R106 HydrophobicContact CG1-CG 4.48Å; V27-R106 HydrophobicContact CG2-CG 4.21Å
28S87.9Confident92.5Very high65 Ų6533.6 Ų33.646%0.45518%0.176SC..SBendtrans-83.7-34.9173.137.20000112.9R58S28-R58 VanDerWaalsContact O-CB 3.24Å; S28-R58 WeakPolarHBondContact O-CB 3.12Å; S28-R58 PolarHBondContact O-N 3.4Å
29D92Very high92.3Very high14 Ų1431.1 Ų31.18%0.07517%0.168CC..EExtended strand (participates in β ladder)trans-155.1140-166.859.2-34.3000110.3V27 L55 C56 G96 S97V27-D29 WeakPolarHBondContact CG1-O 3.23Å; D29-L55 HydrophobicContact CB-CD1 4.02Å; D29-L55 HydrophobicContact CB-CG 4.39Å; D29-C56 CarbonylContact C-O 3.45Å; D29-C56 WeakPolarHBondContact CA-O 3.46Å; D29-G96 WeakPolarHBondContact O-CA 3.41Å; D29-S97 VanDerWaalsContact OD1-CB 3.26Å; D29-S97 WeakPolarHBondContact OD1-CB 3.46Å; D29-S97 PolarHBondContact OD1-N 2.89Å; D29-S97 VanDerWaalsContact OD2-CB 3.27Å; D29-S97 WeakPolarHBondContact OD2-CB 3.41Å; D29-S97 PolarHBondContact OD2-OG 2.75Å
30V93.7Very high92Very high0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-136.3134.7-177.6176.40000109.8A22 F24 V27 C56 F69 C94 Y95A22-V30 HydrophobicContact CB-CG1 4.39Å; F24-V30 HydrophobicContact CD2-CG1 4.22Å; F24-V30 HydrophobicContact CD2-CG2 4.02Å; F24-V30 HydrophobicContact CE2-CG1 4.17Å; V27-V30 HydrophobicContact CB-CG2 4.15Å; V27-V30 HydrophobicContact CG1-CG2 3.52Å; V27-V30 HydrophobicContact CG2-CG2 4.47Å; V30-C56 PolarHBondContact N-O 3.48Å; V30-C56 WeakPolarHBondContact O-CB 3.23Å; V30-C56 PolarHBondContact O-N 3.41Å; V30-F69 HydrophobicContact CB-CB 4.46Å; V30-F69 HydrophobicContact CB-CD1 4.08Å; V30-F69 HydrophobicContact CB-CD2 4.26Å; V30-F69 HydrophobicContact CB-CE1 4.41Å; V30-F69 HydrophobicContact CB-CG 4Å; V30-F69 HydrophobicContact CG2-CD1 4.11Å; V30-F69 HydrophobicContact CG2-CD2 3.78Å; V30-F69 HydrophobicContact CG2-CE1 4.02Å; V30-F69 HydrophobicContact CG2-CE2 3.71Å; V30-F69 HydrophobicContact CG2-CG 3.99Å; V30-F69 HydrophobicContact CG2-CZ 3.84Å; V30-C94 HydrophobicContact CG1-CB 4.19Å; V30-Y95 VanDerWaalsContact CA-O 3.29Å; V30-Y95 WeakPolarHBondContact CA-O 3.31Å
31Y94.7Very high91.8Very high37 Ų3741.2 Ų41.215%0.14522%0.217CC..EExtended strand (participates in β ladder)trans-124.9159.2160.269.1-91.3000110.4L52 L55 C94 Y95 D103Y31-L52 HydrophobicContact CD2-CD1 3.63Å; Y31-L52 HydrophobicContact CD2-CG 4.43Å; Y31-L52 HydrophobicContact CE2-CD1 3.75Å; Y31-L55 HydrophobicContact CD1-CD1 3.8Å; Y31-C94 CarbonylContact O-C 3.57Å; Y31-C94 WeakPolarHBondContact O-CA 3.23Å; Y31-Y95 AromaticContact CD2-CD2 3.94Å; Y31-Y95 HydrophobicContact CD2-CD2 3.94Å; Y31-Y95 HydrophobicContact CD2-CG 4.37Å; Y31-Y95 HydrophobicContact CE1-CG 4.3Å; Y31-Y95 AromaticContact CE2-CD2 3.36Å; Y31-Y95 HydrophobicContact CE2-CD2 3.36Å; Y31-Y95 HydrophobicContact CE2-CE2 4.24Å; Y31-Y95 AromaticContact CE2-CG 3.61Å; Y31-Y95 HydrophobicContact CE2-CG 3.61Å; Y31-Y95 AromaticContact CZ-CD2 3.89Å; Y31-Y95 AromaticContact CZ-CG 3.61Å; Y31-Y95 PolarHBondContact N-O 3.02Å; Y31-Y95 PolarHBondContact O-N 3.04Å; Y31-D103 WeakPolarHBondContact CE1-OD2 3.42Å; Y31-D103 PolarHBondContact OH-OD2 3.18Å
32C94.1Very high91.8Very high0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-126.3126.5-170.5177.30000109.6I19 S53 L71 I92I19-C32 WeakPolarHBondContact CD1-SG 3.4Å; C32-S53 PolarHBondContact N-OG 3.02Å; C32-S53 WeakPolarHBondContact O-CB 3.23Å; C32-S53 PolarHBondContact O-N 2.81Å; C32-S53 PolarHBondContact O-OG 2.81Å; C32-L71 HydrophobicContact CB-CD1 3.68Å; C32-I92 WeakPolarHBondContact SG-CG2 3.34Å
33R94.1Very high91.8Very high87 Ų8745.8 Ų45.833%0.32824%0.24SC..EExtended strand (participates in β ladder)trans-102.2130.5164.8-173.9177.5175.5-172-2.6108.3E50 G51 L52 I92 A93 Y95R33-E50 IonicContact CZ-OE2 3.85Å; R33-E50 IonicContact NE-OE2 2.86Å; R33-E50 IonicContact NH2-OE2 2.71Å; R33-E50 PolarHBondContact NH2-OE2 2.75Å; R33-G51 CarbonylContact C-O 3.55Å; R33-G51 VanDerWaalsContact CA-O 3.31Å; R33-G51 WeakPolarHBondContact CA-O 3.42Å; R33-L52 HydrophobicContact CB-CD1 3.8Å; R33-L52 HydrophobicContact CG-CD1 4.28Å; R33-I92 CarbonylContact O-C 3.57Å; R33-I92 WeakPolarHBondContact O-CA 3.29Å; R33-A93 PolarHBondContact N-O 2.74Å; R33-A93 PolarHBondContact O-N 2.82Å; R33-Y95 HydrophobicContact CB-CE2 4.01Å
34Y95.1Very high91.9Very high7 Ų745.6 Ų45.63%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-112151.8167.775.1-106.5000111I19 F36 E50 G51 F73 I75 L90 T91I19-Y34 HydrophobicContact CD1-CD1 4.01Å; Y34-F36 HydrophobicContact CD2-CD2 4.23Å; Y34-F36 HydrophobicContact CD2-CE2 4.11Å; Y34-F36 HydrophobicContact CE2-CD2 4.22Å; Y34-F36 AromaticContact CE2-CE2 3.95Å; Y34-F36 HydrophobicContact CE2-CE2 3.95Å; Y34-E50 WeakPolarHBondContact O-CA 2.96Å; Y34-G51 PolarHBondContact N-O 3.02Å; Y34-G51 PolarHBondContact O-N 2.78Å; Y34-G51 VanDerWaalsContact O-N 3.07Å; Y34-F73 AromaticContact CD1-CD1 3.7Å; Y34-F73 HydrophobicContact CD1-CD1 3.7Å; Y34-F73 AromaticContact CD1-CE1 3.38Å; Y34-F73 HydrophobicContact CD1-CE1 3.38Å; Y34-F73 AromaticContact CE1-CD1 3.67Å; Y34-F73 HydrophobicContact CE1-CD1 3.67Å; Y34-F73 AromaticContact CE1-CE1 3.15Å; Y34-F73 HydrophobicContact CE1-CE1 3.15Å; Y34-F73 AromaticContact CE1-CZ 3.94Å; Y34-F73 HydrophobicContact CE1-CZ 3.94Å; Y34-I75 HydrophobicContact CD1-CG1 4.3Å; Y34-I75 HydrophobicContact CE1-CG1 4.08Å; Y34-L90 HydrophobicContact CD2-CD1 3.95Å; Y34-L90 HydrophobicContact CG-CD1 4.13Å; Y34-T91 CarbonylContact C-O 3.57Å; Y34-T91 VanDerWaalsContact CA-O 3.23Å; Y34-T91 WeakPolarHBondContact CA-O 3.42Å
35C94.3Very high92Very high8 Ų848.9 Ų48.95%0.05426%0.262CS..EExtended strand (participates in β ladder)trans-145.3138.4170.7-176.70000109.8E49 E50 T91 C153C35-E49 WeakPolarHBondContact CA-O 3.34Å; C35-E50 HydrophobicContact CB-CG 3.89Å; C35-E50 WeakPolarHBondContact SG-CG 3.36Å; C35-E50 PolarHBondContact SG-OE1 3.13Å; C35-E50 VanDerWaalsContact SG-OE1 3.34Å; C35-T91 PolarHBondContact N-O 3.04Å; C35-T91 WeakPolarHBondContact O-CA 3.48Å; C35-T91 WeakPolarHBondContact O-CB 3.49Å; C35-T91 PolarHBondContact O-N 2.79Å; C35-C153 PolarHBondContact SG-SG 2.93Å
36F93.8Very high92.4Very high7 Ų744.5 Ų44.53%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-85.1134.5170.6-75.1-91.3000111.5V15 Y34 F38 E49 I75 L77 F79 R89 L90 V113V15-F36 HydrophobicContact CG1-CE1 4.28Å; V15-F36 HydrophobicContact CG1-CZ 4.16Å; Y34-F36 HydrophobicContact CD2-CD2 4.23Å; Y34-F36 HydrophobicContact CD2-CE2 4.11Å; Y34-F36 HydrophobicContact CE2-CD2 4.22Å; Y34-F36 AromaticContact CE2-CE2 3.95Å; Y34-F36 HydrophobicContact CE2-CE2 3.95Å; F36-F38 HydrophobicContact CB-CD1 4.03Å; F36-F38 HydrophobicContact CB-CE1 4.13Å; F36-E49 WeakPolarHBondContact CD2-O 3.36Å; F36-E49 PolarHBondContact N-O 2.82Å; F36-I75 HydrophobicContact CE2-CG2 3.84Å; F36-I75 HydrophobicContact CZ-CG2 3.59Å; F36-L77 HydrophobicContact CB-CD2 3.93Å; F36-L77 HydrophobicContact CD1-CD2 4.08Å; F36-L77 HydrophobicContact CD2-CD2 3.28Å; F36-L77 HydrophobicContact CE1-CD2 4.4Å; F36-L77 HydrophobicContact CE2-CB 4.18Å; F36-L77 HydrophobicContact CE2-CD2 3.66Å; F36-L77 HydrophobicContact CG-CD2 3.49Å; F36-L77 VanDerWaalsContact CG-CD2 3.49Å; F36-L77 HydrophobicContact CZ-CB 4.39Å; F36-L77 HydrophobicContact CZ-CD2 4.19Å; F36-F79 HydrophobicContact CB-CZ 4.13Å; F36-F79 HydrophobicContact CD1-CE2 4.18Å; F36-F79 AromaticContact CD1-CZ 3.94Å; F36-F79 HydrophobicContact CD1-CZ 3.94Å; F36-F79 HydrophobicContact CE1-CE2 4.4Å; F36-F79 HydrophobicContact CG-CZ 4.11Å; F36-R89 CarbonylContact C-O 3.6Å; F36-R89 WeakPolarHBondContact CA-O 3.38Å; F36-L90 HydrophobicContact CD1-CB 4.44Å; F36-L90 HydrophobicContact CD1-CD1 4.36Å; F36-L90 HydrophobicContact CD2-CD1 4.15Å; F36-L90 HydrophobicContact CE1-CB 4.16Å; F36-L90 HydrophobicContact CE1-CD1 4.06Å; F36-L90 HydrophobicContact CE2-CD1 3.84Å; F36-L90 HydrophobicContact CG-CD1 4.43Å; F36-L90 HydrophobicContact CZ-CD1 3.81Å; F36-V113 HydrophobicContact CD1-CG2 4.3Å; F36-V113 HydrophobicContact CE1-CG2 3.84Å
37A91.8Very high92.9Very high13 Ų1343 Ų4311%0.10724%0.241CC..EExtended strand (participates in β ladder)trans-118.5119.6172.600000109.3R89 C153 A156A37-R89 PolarHBondContact N-O 2.84Å; A37-R89 PolarHBondContact O-N 3.3Å; A37-C153 HydrophobicContact CB-CB 4.41Å; A37-A156 HydrophobicContact CB-CB 3.98Å
38F92.4Very high93.2Very high60 Ų6046.3 Ų46.326%0.26326%0.261SS..  trans-137.9165.5-174.244.8-93.5000110.8F36 W42 V44 F79 G86 P88F36-F38 HydrophobicContact CB-CD1 4.03Å; F36-F38 HydrophobicContact CB-CE1 4.13Å; F38-W42 HydrophobicContact CB-CB 3.87Å; F38-W42 HydrophobicContact CB-CG 4.11Å; F38-W42 HydrophobicContact CD2-CB 3.69Å; F38-W42 HydrophobicContact CG-CB 4.05Å; F38-V44 HydrophobicContact CE1-CG2 4.05Å; F38-V44 HydrophobicContact CE2-CG2 4.43Å; F38-V44 HydrophobicContact CZ-CG2 3.75Å; F38-F79 HydrophobicContact CB-CE1 4.49Å; F38-F79 AromaticContact CD1-CE1 3.48Å; F38-F79 HydrophobicContact CD1-CE1 3.48Å; F38-F79 VanDerWaalsContact CD1-CE1 3.48Å; F38-F79 AromaticContact CD1-CZ 3.96Å; F38-F79 HydrophobicContact CD1-CZ 3.96Å; F38-F79 AromaticContact CE1-CE1 3.74Å; F38-F79 HydrophobicContact CE1-CE1 3.74Å; F38-F79 HydrophobicContact CE1-CZ 4.34Å; F38-F79 AromaticContact CG-CE1 3.94Å; F38-F79 HydrophobicContact CG-CE1 3.94Å; F38-F79 HydrophobicContact CZ-CE1 4.39Å; F38-G86 CarbonylContact C-O 3.58Å; F38-P88 HydrophobicContact CB-CB 4.28Å; F38-P88 HydrophobicContact CB-CG 4.16Å
39G91.1Very high93.4Very high16 Ų1647.4 Ų47.417%0.16526%0.259CS..  trans-79.1168178.400000113.2D41 W42 G86G39-D41 VanDerWaalsContact C-N 3.28Å; G39-D41 PolarHBondContact O-N 3.29Å; G39-W42 WeakPolarHBondContact O-CB 3.47Å; G39-W42 PolarHBondContact O-N 3.1Å; G39-G86 PolarHBondContact N-O 2.61Å
40E90.3Very high93.5Very high203 Ų20351.5 Ų51.595%0.94928%0.277SS*.THydrogen-bonded Turntrans-62-26.4-171.7-61.4175.5177.900115W42E40-W42 VanDerWaalsContact C-N 3.29Å; E40-W42 PolarHBondContact O-N 3.2Å
41D91.9Very high93.5Very high53 Ų5352 Ų5228%0.28328%0.282SS..THydrogen-bonded Turntrans-76.5-16.8177-177.272.8000113G39 N43 S81 T82 N83G39-D41 VanDerWaalsContact C-N 3.28Å; G39-D41 PolarHBondContact O-N 3.29Å; D41-N43 PolarHBondContact O-N 3.21Å; D41-N43 PolarHBondContact O-ND2 2.85Å; D41-N43 VanDerWaalsContact O-ND2 3.08Å; D41-S81 PolarHBondContact OD2-OG 2.78Å; D41-T82 PolarHBondContact OD1-OG1 3.07Å; D41-T82 PolarHBondContact OD2-N 2.91Å; D41-T82 PolarHBondContact OD2-OG1 3.26Å; D41-N83 PolarHBondContact OD2-N 2.78Å
42W93.9Very high93.5Very high6 Ų655.2 Ų55.22%0.02330%0.301CS..  trans-81.2121.8-178.3-68.378.9000110.5F11 L13 F38 G39 E40 F79 Y85 G86 W87 P88F11-W42 AromaticContact CE2-CH2 3.61Å; F11-W42 HydrophobicContact CE2-CH2 3.61Å; F11-W42 HydrophobicContact CE2-CZ2 4.24Å; F11-W42 HydrophobicContact CE2-CZ3 4.14Å; F11-W42 AromaticContact CZ-CH2 3.83Å; F11-W42 HydrophobicContact CZ-CH2 3.83Å; F11-W42 AromaticContact CZ-CZ2 3.97Å; F11-W42 HydrophobicContact CZ-CZ2 3.97Å; L13-W42 HydrophobicContact CB-CZ3 4.08Å; L13-W42 HydrophobicContact CD2-CH2 3.93Å; L13-W42 HydrophobicContact CD2-CZ3 3.72Å; F38-W42 HydrophobicContact CB-CB 3.87Å; F38-W42 HydrophobicContact CB-CG 4.11Å; F38-W42 HydrophobicContact CD2-CB 3.69Å; F38-W42 HydrophobicContact CG-CB 4.05Å; G39-W42 WeakPolarHBondContact O-CB 3.47Å; G39-W42 PolarHBondContact O-N 3.1Å; E40-W42 VanDerWaalsContact C-N 3.29Å; E40-W42 PolarHBondContact O-N 3.2Å; W42-F79 HydrophobicContact CE3-CB 3.58Å; W42-F79 HydrophobicContact CE3-CD1 4.08Å; W42-F79 AromaticContact CE3-CG 3.87Å; W42-F79 HydrophobicContact CE3-CG 3.87Å; W42-F79 HydrophobicContact CZ3-CB 3.77Å; W42-F79 HydrophobicContact CZ3-CG 4.24Å; W42-Y85 PolarHBondContact NE1-O 3.12Å; W42-G86 PolarHBondContact NE1-O 3.02Å; W42-W87 HydrophobicContact CH2-CD2 4.09Å; W42-W87 AromaticContact CH2-CE3 3.53Å; W42-W87 HydrophobicContact CH2-CE3 3.53Å; W42-W87 HydrophobicContact CH2-CH2 4.02Å; W42-W87 AromaticContact CH2-CZ3 3.48Å; W42-W87 HydrophobicContact CH2-CZ3 3.48Å; W42-W87 VanDerWaalsContact CH2-CZ3 3.48Å; W42-W87 HydrophobicContact CZ2-CD2 4.06Å; W42-W87 AromaticContact CZ2-CE3 3.4Å; W42-W87 HydrophobicContact CZ2-CE3 3.4Å; W42-W87 AromaticContact CZ2-CZ3 3.77Å; W42-W87 HydrophobicContact CZ2-CZ3 3.77Å; W42-P88 HydrophobicContact CD2-CG 3.81Å; W42-P88 HydrophobicContact CE3-CG 3.44Å; W42-P88 VanDerWaalsContact CE3-CG 3.44Å; W42-P88 HydrophobicContact CH2-CG 4.05Å; W42-P88 HydrophobicContact CZ2-CG 4.36Å; W42-P88 HydrophobicContact CZ3-CG 3.6Å
43N94.3Very high93.5Very high98 Ų9855.6 Ų55.652%0.52430%0.304SS..EExtended strand (participates in β ladder)trans-112.6133.3177.3-69.2-86.2000109.8D41 F79 R80D41-N43 PolarHBondContact O-N 3.21Å; D41-N43 PolarHBondContact O-ND2 2.85Å; D41-N43 VanDerWaalsContact O-ND2 3.08Å; N43-F79 CarbonylContact O-C 3.47Å; N43-F79 WeakPolarHBondContact O-CA 3.26Å; N43-R80 PolarHBondContact N-O 2.84Å; N43-R80 PolarHBondContact O-N 3.46Å
44V95.2Very high93.5Very high41 Ų4157.7 Ų57.725%0.24832%0.318CS..EExtended strand (participates in β ladder)trans-82.9120.9174.5176.20000108.8F38 E49 L77 F79F38-V44 HydrophobicContact CE1-CG2 4.05Å; F38-V44 HydrophobicContact CE2-CG2 4.43Å; F38-V44 HydrophobicContact CZ-CG2 3.75Å; V44-E49 HydrophobicContact CB-CG 4.31Å; V44-E49 VanDerWaalsContact CB-OE1 3.23Å; V44-E49 WeakPolarHBondContact CB-OE1 3.5Å; V44-E49 HydrophobicContact CG1-CG 4.02Å; V44-E49 HydrophobicContact CG2-CG 3.86Å; V44-E49 VanDerWaalsContact CG2-OE1 3.23Å; V44-E49 WeakPolarHBondContact CG2-OE1 3.42Å; V44-L77 HydrophobicContact CG1-CD1 3.5Å; V44-L77 HydrophobicContact CG1-CG 4.39Å; V44-L77 HydrophobicContact CG2-CD1 4.43Å; V44-F79 HydrophobicContact CG2-CD1 3.84Å; V44-F79 HydrophobicContact CG2-CE1 3.63Å
45V94.8Very high93.4Very high71 Ų7161.9 Ų61.943%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-90.3-38.7-179.1-179.50000111L12 T78 R80L12-V45 HydrophobicContact CD2-CG2 4.26Å; V45-T78 HydrophobicContact CB-CG2 4.14Å; V45-T78 PolarHBondContact N-O 3.3Å; V45-R80 HydrophobicContact CG2-CB 3.42Å; V45-R80 VanDerWaalsContact CG2-CB 3.42Å
46S95Very high93.3Very high72 Ų7262.4 Ų62.450%0.50334%0.344SS..EExtended strand (participates in β ladder)trans-164.3151.5-174.5-177.90000109.9T78S46-T78 PolarHBondContact O-N 3.35Å
47G93.9Very high93Very high40 Ų4066.2 Ų66.241%0.41237%0.37SS..EExtended strand (participates in β ladder)trans109.7-167.3175.900000112.9D76G47-D76 VanDerWaalsContact CA-O 3.26Å; G47-D76 WeakPolarHBondContact CA-O 3.08Å
48V93.4Very high92.6Very high74 Ų7469.6 Ų69.645%0.44838%0.38SS..  trans-113.2115.2-174178.40000109.9E50 D76V48-E50 WeakPolarHBondContact CG1-O 3.49Å; V48-D76 PolarHBondContact N-O 3.01Å
49E92.6Very high91.8Very high88 Ų8871.1 Ų71.141%0.41139%0.391SS..SBendtrans-72.6-38.3178.6-63.6-177.9-165.700112.2C35 F36 V44 L77C35-E49 WeakPolarHBondContact CA-O 3.34Å; F36-E49 WeakPolarHBondContact CD2-O 3.36Å; F36-E49 PolarHBondContact N-O 2.82Å; V44-E49 HydrophobicContact CB-CG 4.31Å; V44-E49 VanDerWaalsContact CB-OE1 3.23Å; V44-E49 WeakPolarHBondContact CB-OE1 3.5Å; V44-E49 HydrophobicContact CG1-CG 4.02Å; V44-E49 HydrophobicContact CG2-CG 3.86Å; V44-E49 VanDerWaalsContact CG2-OE1 3.23Å; V44-E49 WeakPolarHBondContact CG2-OE1 3.42Å; E49-L77 HydrophobicContact CG-CD1 4.15Å
50E93.4Very high90.7Very high100 Ų10075.9 Ų75.947%0.46742%0.417SS..EExtended strand (participates in β ladder)trans-129126-179.1-66.8-164.3-170.300110.9R33 Y34 C35 V48R33-E50 IonicContact CZ-OE2 3.85Å; R33-E50 IonicContact NE-OE2 2.86Å; R33-E50 IonicContact NH2-OE2 2.71Å; R33-E50 PolarHBondContact NH2-OE2 2.75Å; Y34-E50 WeakPolarHBondContact O-CA 2.96Å; C35-E50 HydrophobicContact CB-CG 3.89Å; C35-E50 WeakPolarHBondContact SG-CG 3.36Å; C35-E50 PolarHBondContact SG-OE1 3.13Å; C35-E50 VanDerWaalsContact SG-OE1 3.34Å; V48-E50 WeakPolarHBondContact CG1-O 3.49Å
51G93.1Very high89.6Confident10 Ų1074.2 Ų74.210%0.10341%0.411CS..EExtended strand (participates in β ladder)trans-130.7145.6179.700000111.8R33 Y34R33-G51 CarbonylContact C-O 3.55Å; R33-G51 VanDerWaalsContact CA-O 3.31Å; R33-G51 WeakPolarHBondContact CA-O 3.42Å; Y34-G51 PolarHBondContact N-O 3.02Å; Y34-G51 PolarHBondContact O-N 2.78Å; Y34-G51 VanDerWaalsContact O-N 3.07Å
52L94.6Very high88.1Confident105 Ų10575.2 Ų75.255%0.5542%0.416SS..EExtended strand (participates in β ladder)trans-115.8126.1172.6-170.369.1000109.6Y31 R33 F73Y31-L52 HydrophobicContact CD2-CD1 3.63Å; Y31-L52 HydrophobicContact CD2-CG 4.43Å; Y31-L52 HydrophobicContact CE2-CD1 3.75Å; R33-L52 HydrophobicContact CB-CD1 3.8Å; R33-L52 HydrophobicContact CG-CD1 4.28Å; L52-F73 WeakPolarHBondContact O-CE2 3.37Å; L52-F73 WeakPolarHBondContact O-CZ 3.22Å
53S94.9Very high86.4Confident9 Ų981.1 Ų81.16%0.06345%0.449CS..PPolyproline II helixtrans-76.7164.3178.982.20000111.9C32C32-S53 PolarHBondContact N-OG 3.02Å; C32-S53 WeakPolarHBondContact O-CB 3.23Å; C32-S53 PolarHBondContact O-N 2.81Å; C32-S53 PolarHBondContact O-OG 2.81Å
54Q93.2Very high84.6Confident131 Ų13180.9 Ų80.961%0.61246%0.46SS*.PPolyproline II helixtrans-59.7157.516267.3-169.221.700111.9
55L93.1Very high82.8Confident94 Ų9484.7 Ų84.749%0.49248%0.484SS..PPolyproline II helixtrans-74.1124.2169.7-17367.8000109.8D29 Y31D29-L55 HydrophobicContact CB-CD1 4.02Å; D29-L55 HydrophobicContact CB-CG 4.39Å; Y31-L55 HydrophobicContact CD1-CD1 3.8Å
56C92Very high81.1Confident19 Ų1983.7 Ų83.713%0.12848%0.479CS..EExtended strand (participates in β ladder)trans-106.1122.6174.7-174.50000109.2D29 V30 F69 V70 L71D29-C56 CarbonylContact C-O 3.45Å; D29-C56 WeakPolarHBondContact CA-O 3.46Å; V30-C56 PolarHBondContact N-O 3.48Å; V30-C56 WeakPolarHBondContact O-CB 3.23Å; V30-C56 PolarHBondContact O-N 3.41Å; C56-F69 HydrophobicContact CB-CB 4.26Å; C56-F69 HydrophobicContact CB-CD1 4.31Å; C56-V70 PolarHBondContact SG-O 2.87Å; C56-V70 VanDerWaalsContact SG-O 3.35Å; C56-L71 HydrophobicContact CB-CD2 3.88Å
57C87.7Confident80.3Confident88 Ų8882.3 Ų82.360%0.59547%0.466SS*.EExtended strand (participates in β ladder)trans-93.7145.6175.2-58.30000110.4
58R83.3Confident80.1Confident84 Ų8484.9 Ų84.932%0.31747%0.467SS..  trans-60.4138.3172-172.1176.672.61051.6109S28 V60 F69S28-R58 VanDerWaalsContact O-CB 3.24Å; S28-R58 WeakPolarHBondContact O-CB 3.12Å; S28-R58 PolarHBondContact O-N 3.4Å; R58-V60 PolarHBondContact O-N 3.17Å; R58-V60 VanDerWaalsContact O-N 3.13Å; R58-F69 HydrophobicContact CB-CE1 3.86Å; R58-F69 HydrophobicContact CB-CZ 4.15Å
59N75.4Confident80Confident92 Ų9281.5 Ų81.549%0.49245%0.446SS..  trans-66114.7172.6-172.5-7.7000109.3M61 D62N59-M61 PolarHBondContact O-N 3.2Å; N59-M61 PolarHBondContact OD1-N 3.46Å; N59-D62 PolarHBondContact O-N 3.48Å
60V69.1Low80Confident116 Ų11680.9 Ų80.970%0.70345%0.449SS*.THydrogen-bonded Turntrans-67-19.2-177.9-176.60000111.9R58R58-V60 PolarHBondContact O-N 3.17Å; R58-V60 VanDerWaalsContact O-N 3.13Å
61M66.3Low79.9Confident168 Ų16876.3 Ų76.383%0.82843%0.427SS*.THydrogen-bonded Turntrans-83.2-18.9-179.7-57-130.484.600113.7N59 D63N59-M61 PolarHBondContact O-N 3.2Å; N59-M61 PolarHBondContact OD1-N 3.46Å; M61-D63 PolarHBondContact O-N 3.06Å
62D61.9Low80Confident73 Ų7380.1 Ų80.139%0.3945%0.446SS..  trans-96.277.2178.3-80.1-34.5000110.1N59 A64 C66N59-D62 PolarHBondContact O-N 3.48Å; D62-A64 PolarHBondContact O-N 2.71Å; D62-A64 VanDerWaalsContact O-N 3.16Å; D62-C66 HydrophobicContact CB-CB 4.31Å
63D58Low80Confident131 Ų13176.9 Ų76.970%0.70143%0.427SS*.  trans-74.51.3-170.2-110.1-12.9000115.5M61M61-D63 PolarHBondContact O-N 3.06Å
64A56.5Low80.1Confident92 Ų9280.4 Ų80.476%0.7645%0.45SS*.SBendtrans-144.1-14-169.600000118.8D62D62-A64 PolarHBondContact O-N 2.71Å; D62-A64 VanDerWaalsContact O-N 3.16Å
65T56Low80.2Confident122 Ų12274.3 Ų74.375%0.74842%0.421SS*.SBendtrans-143.9-13.6-165.756.30000117.5
66C59.1Low80.3Confident49 Ų4973.8 Ų73.833%0.33142%0.419SS..  trans-117.783.7-172.5-157.60000112D62 Q68D62-C66 HydrophobicContact CB-CB 4.31Å; C66-Q68 PolarHBondContact O-N 2.79Å; C66-Q68 VanDerWaalsContact O-N 3.15Å
67D79.7Confident80.5Confident44 Ų4472.9 Ų72.924%0.23541%0.413CS..  trans-79.125.3169.4-70.9-60.6000112.3E23 F24 Y25E23-D67 CarbonylContact C-O 3.51Å; E23-D67 VanDerWaalsContact CA-O 3.26Å; E23-D67 WeakPolarHBondContact CA-O 3.48Å; F24-D67 PolarHBondContact N-O 3Å; F24-D67 WeakPolarHBondContact O-CB 3.4Å; Y25-D67 HydrophobicContact CD1-CB 4.04Å; Y25-D67 WeakPolarHBondContact CD1-OD2 3.47Å; Y25-D67 HydrophobicContact CE1-CB 4.18Å; Y25-D67 VanDerWaalsContact CE1-OD2 3.29Å; Y25-D67 WeakPolarHBondContact CE1-OD2 3.37Å
68Q88.3Confident80.9Confident94 Ų9469.9 Ų69.944%0.43939%0.392SS..EExtended strand (participates in β ladder)trans-100.8119.1-176.8-169.1179.28.500111S21 A22 E23 C66S21-Q68 PolarHBondContact OG-NE2 3.47Å; A22-Q68 CarbonylContact O-C 3.35Å; A22-Q68 WeakPolarHBondContact O-CA 3.35Å; E23-Q68 HydrophobicContact CG-CB 4.37Å; E23-Q68 HydrophobicContact CG-CG 4.21Å; C66-Q68 PolarHBondContact O-N 2.79Å; C66-Q68 VanDerWaalsContact O-N 3.15Å
69F91.7Very high81.5Confident2 Ų265.9 Ų65.91%0.00938%0.377CS..EExtended strand (participates in β ladder)trans-97.7120.4174.4-60.8-91.3000109.1S21 A22 F24 V27 V30 C56 R58S21-F69 CarbonylContact C-O 3.6Å; S21-F69 WeakPolarHBondContact CA-O 3.38Å; S21-F69 VanDerWaalsContact CB-O 3.27Å; S21-F69 WeakPolarHBondContact CB-O 3.46Å; A22-F69 HydrophobicContact CB-CB 4.39Å; A22-F69 PolarHBondContact N-O 2.85Å; A22-F69 PolarHBondContact O-N 3.2Å; F24-F69 HydrophobicContact CB-CE2 4.31Å; V27-F69 HydrophobicContact CB-CE2 4.35Å; V27-F69 HydrophobicContact CB-CZ 4.06Å; V27-F69 HydrophobicContact CG1-CZ 4.33Å; V30-F69 HydrophobicContact CB-CB 4.46Å; V30-F69 HydrophobicContact CB-CD1 4.08Å; V30-F69 HydrophobicContact CB-CD2 4.26Å; V30-F69 HydrophobicContact CB-CE1 4.41Å; V30-F69 HydrophobicContact CB-CG 4Å; V30-F69 HydrophobicContact CG2-CD1 4.11Å; V30-F69 HydrophobicContact CG2-CD2 3.78Å; V30-F69 HydrophobicContact CG2-CE1 4.02Å; V30-F69 HydrophobicContact CG2-CE2 3.71Å; V30-F69 HydrophobicContact CG2-CG 3.99Å; V30-F69 HydrophobicContact CG2-CZ 3.84Å; C56-F69 HydrophobicContact CB-CB 4.26Å; C56-F69 HydrophobicContact CB-CD1 4.31Å; R58-F69 HydrophobicContact CB-CE1 3.86Å; R58-F69 HydrophobicContact CB-CZ 4.15Å
70V92.3Very high82.4Confident76 Ų7667 Ų6746%0.46137%0.374SS..EExtended strand (participates in β ladder)trans-87113.5176.5-179.10000108.8C56 N72C56-V70 PolarHBondContact SG-O 2.87Å; C56-V70 VanDerWaalsContact SG-O 3.35Å; V70-N72 WeakPolarHBondContact CG1-ND2 3.33Å
71L92.8Very high83.6Confident3 Ų361.5 Ų61.52%0.01634%0.341CS..EExtended strand (participates in β ladder)trans-96.7-44.8-177.4-66.2173.8000111.5I19 E20 A22 C32 C56 F73I19-L71 HydrophobicContact CG2-CD1 3.83Å; E20-L71 PolarHBondContact O-N 2.93Å; A22-L71 HydrophobicContact CB-CD1 4.02Å; C32-L71 HydrophobicContact CB-CD1 3.68Å; C56-L71 HydrophobicContact CB-CD2 3.88Å; L71-F73 HydrophobicContact CB-CB 4.49Å; L71-F73 PolarHBondContact O-N 3.11Å; L71-F73 VanDerWaalsContact O-N 3.17Å
72N93.9Very high84.8Confident91 Ų9156.8 Ų56.849%0.48732%0.321SS..EExtended strand (participates in β ladder)trans44.142.8-173.2-67.8-23.9000113.3I19 E20 V70I19-N72 CarbonylContact O-C 3.43Å; I19-N72 VanDerWaalsContact O-CA 3.28Å; I19-N72 WeakPolarHBondContact O-CA 3.41Å; I19-N72 PolarHBondContact O-N 2.82Å; E20-N72 PolarHBondContact O-N 2.73Å; E20-N72 VanDerWaalsContact O-N 3.17Å; V70-N72 WeakPolarHBondContact CG1-ND2 3.33Å
73F95.2Very high86.2Confident36 Ų3656.6 Ų56.616%0.15832%0.32CS..EExtended strand (participates in β ladder)trans-90119.8-173.3-173.6-129.2000110.7Q18 I19 Y34 L52 L71Q18-F73 CarbonylContact C-O 3.54Å; Q18-F73 WeakPolarHBondContact CA-O 3.43Å; Q18-F73 WeakPolarHBondContact CB-O 3.36Å; I19-F73 HydrophobicContact CB-CB 4.34Å; I19-F73 HydrophobicContact CD1-CD1 4.31Å; I19-F73 PolarHBondContact N-O 3.21Å; I19-F73 PolarHBondContact O-N 3Å; Y34-F73 AromaticContact CD1-CD1 3.7Å; Y34-F73 HydrophobicContact CD1-CD1 3.7Å; Y34-F73 AromaticContact CD1-CE1 3.38Å; Y34-F73 HydrophobicContact CD1-CE1 3.38Å; Y34-F73 AromaticContact CE1-CD1 3.67Å; Y34-F73 HydrophobicContact CE1-CD1 3.67Å; Y34-F73 AromaticContact CE1-CE1 3.15Å; Y34-F73 HydrophobicContact CE1-CE1 3.15Å; Y34-F73 AromaticContact CE1-CZ 3.94Å; Y34-F73 HydrophobicContact CE1-CZ 3.94Å; L52-F73 WeakPolarHBondContact O-CE2 3.37Å; L52-F73 WeakPolarHBondContact O-CZ 3.22Å; L71-F73 HydrophobicContact CB-CB 4.49Å; L71-F73 PolarHBondContact O-N 3.11Å; L71-F73 VanDerWaalsContact O-N 3.17Å
74P96Very high87.7Confident84 Ų8452.1 Ų52.155%0.54530%0.299SS..EExtended strand (participates in β ladder)trans-70.4145.2-172.528.5-35.7000112.6
75I95.6Very high89.4Confident2 Ų256.5 Ų56.51%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-120125.2171.5-63.6168.1000106.8V15 S16 G17 I19 Y34 F36 L90 I174V15-I75 HydrophobicContact CG1-CG2 4.5Å; S16-I75 CarbonylContact C-O 3.56Å; S16-I75 WeakPolarHBondContact CA-O 3.41Å; G17-I75 PolarHBondContact N-O 3.41Å; G17-I75 PolarHBondContact O-N 2.87Å; I19-I75 HydrophobicContact CD1-CD1 4.36Å; I19-I75 HydrophobicContact CG1-CD1 3.66Å; I19-I75 HydrophobicContact CG1-CG1 4.19Å; Y34-I75 HydrophobicContact CD1-CG1 4.3Å; Y34-I75 HydrophobicContact CE1-CG1 4.08Å; F36-I75 HydrophobicContact CE2-CG2 3.84Å; F36-I75 HydrophobicContact CZ-CG2 3.59Å; I75-L90 HydrophobicContact CD1-CD2 3.72Å; I75-I174 HydrophobicContact CD1-CG2 3.87Å
76D95.8Very high91Very high83 Ų8351.9 Ų51.944%0.44427%0.273SS..EExtended strand (participates in β ladder)trans-147.3114.9174.3-169.825.5000110.5V15 G47 V48V15-D76 WeakPolarHBondContact O-CA 3.39Å; G47-D76 VanDerWaalsContact CA-O 3.26Å; G47-D76 WeakPolarHBondContact CA-O 3.08Å; V48-D76 PolarHBondContact N-O 3.01Å
77L96Very high92.6Very high0 Ų051.2 Ų51.20%026%0.264CS..EExtended strand (participates in β ladder)trans-150.4133.2-177.5-162.261.1000111.5V15 F36 V44 E49 F79V15-L77 PolarHBondContact N-O 3.04Å; V15-L77 PolarHBondContact O-N 3.06Å; F36-L77 HydrophobicContact CB-CD2 3.93Å; F36-L77 HydrophobicContact CD1-CD2 4.08Å; F36-L77 HydrophobicContact CD2-CD2 3.28Å; F36-L77 HydrophobicContact CE1-CD2 4.4Å; F36-L77 HydrophobicContact CE2-CB 4.18Å; F36-L77 HydrophobicContact CE2-CD2 3.66Å; F36-L77 HydrophobicContact CG-CD2 3.49Å; F36-L77 VanDerWaalsContact CG-CD2 3.49Å; F36-L77 HydrophobicContact CZ-CB 4.39Å; F36-L77 HydrophobicContact CZ-CD2 4.19Å; V44-L77 HydrophobicContact CG1-CD1 3.5Å; V44-L77 HydrophobicContact CG1-CG 4.39Å; V44-L77 HydrophobicContact CG2-CD1 4.43Å; E49-L77 HydrophobicContact CG-CD1 4.15Å; L77-F79 HydrophobicContact CB-CE2 4.33Å; L77-F79 HydrophobicContact CD2-CE1 3.84Å; L77-F79 HydrophobicContact CD2-CE2 3.56Å; L77-F79 HydrophobicContact CD2-CZ 3.15Å; L77-F79 HydrophobicContact CG-CD2 4.44Å; L77-F79 HydrophobicContact CG-CE1 4.36Å; L77-F79 HydrophobicContact CG-CE2 3.87Å; L77-F79 HydrophobicContact CG-CZ 3.85Å
78T96.7Very high93.4Very high25 Ų2549.1 Ų49.115%0.15325%0.253CS..EExtended strand (participates in β ladder)trans-113.8119.3176.6-540000109.7L14 V45 S46L14-T78 WeakPolarHBondContact CD1-OG1 3.37Å; V45-T78 HydrophobicContact CB-CG2 4.14Å; V45-T78 PolarHBondContact N-O 3.3Å; S46-T78 PolarHBondContact O-N 3.35Å
79F95.8Very high93.6Very high0 Ų046.6 Ų46.60%024%0.239CC..EExtended strand (participates in β ladder)trans-101.4153.4173.8-63.7-80.8000112.5L12 L13 V15 F36 F38 W42 N43 V44 L77 P88L12-F79 CarbonylContact C-O 3.53Å; L12-F79 VanDerWaalsContact CA-O 3.29Å; L12-F79 WeakPolarHBondContact CA-O 3.33Å; L13-F79 HydrophobicContact CB-CB 4.28Å; L13-F79 HydrophobicContact CD2-CD2 4.46Å; L13-F79 PolarHBondContact N-O 3.42Å; L13-F79 PolarHBondContact O-N 3.13Å; V15-F79 HydrophobicContact CG2-CD2 4.21Å; V15-F79 HydrophobicContact CG2-CE2 4.17Å; F36-F79 HydrophobicContact CB-CZ 4.13Å; F36-F79 HydrophobicContact CD1-CE2 4.18Å; F36-F79 AromaticContact CD1-CZ 3.94Å; F36-F79 HydrophobicContact CD1-CZ 3.94Å; F36-F79 HydrophobicContact CE1-CE2 4.4Å; F36-F79 HydrophobicContact CG-CZ 4.11Å; F38-F79 HydrophobicContact CB-CE1 4.49Å; F38-F79 AromaticContact CD1-CE1 3.48Å; F38-F79 HydrophobicContact CD1-CE1 3.48Å; F38-F79 VanDerWaalsContact CD1-CE1 3.48Å; F38-F79 AromaticContact CD1-CZ 3.96Å; F38-F79 HydrophobicContact CD1-CZ 3.96Å; F38-F79 AromaticContact CE1-CE1 3.74Å; F38-F79 HydrophobicContact CE1-CE1 3.74Å; F38-F79 HydrophobicContact CE1-CZ 4.34Å; F38-F79 AromaticContact CG-CE1 3.94Å; F38-F79 HydrophobicContact CG-CE1 3.94Å; F38-F79 HydrophobicContact CZ-CE1 4.39Å; W42-F79 HydrophobicContact CE3-CB 3.58Å; W42-F79 HydrophobicContact CE3-CD1 4.08Å; W42-F79 AromaticContact CE3-CG 3.87Å; W42-F79 HydrophobicContact CE3-CG 3.87Å; W42-F79 HydrophobicContact CZ3-CB 3.77Å; W42-F79 HydrophobicContact CZ3-CG 4.24Å; N43-F79 CarbonylContact O-C 3.47Å; N43-F79 WeakPolarHBondContact O-CA 3.26Å; V44-F79 HydrophobicContact CG2-CD1 3.84Å; V44-F79 HydrophobicContact CG2-CE1 3.63Å; L77-F79 HydrophobicContact CB-CE2 4.33Å; L77-F79 HydrophobicContact CD2-CE1 3.84Å; L77-F79 HydrophobicContact CD2-CE2 3.56Å; L77-F79 HydrophobicContact CD2-CZ 3.15Å; L77-F79 HydrophobicContact CG-CD2 4.44Å; L77-F79 HydrophobicContact CG-CE1 4.36Å; L77-F79 HydrophobicContact CG-CE2 3.87Å; L77-F79 HydrophobicContact CG-CZ 3.85Å; F79-P88 HydrophobicContact CD1-CG 4.34Å; F79-P88 HydrophobicContact CD2-CB 4.46Å; F79-P88 HydrophobicContact CD2-CG 4.01Å; F79-P88 HydrophobicContact CE1-CB 4.5Å; F79-P88 HydrophobicContact CE1-CG 4.25Å; F79-P88 HydrophobicContact CE2-CB 3.87Å; F79-P88 HydrophobicContact CE2-CG 3.9Å; F79-P88 HydrophobicContact CG-CG 4.21Å; F79-P88 HydrophobicContact CZ-CB 3.87Å; F79-P88 HydrophobicContact CZ-CG 4Å
80R94.9Very high93.8Very high116 Ų11646.5 Ų46.544%0.43824%0.239SC..EExtended strand (participates in β ladder)trans-127.1136166.3-178.5-177.7-59.6-163.13108.8F11 L12 N43 V45F11-R80 WeakPolarHBondContact O-CA 3.48Å; L12-R80 HydrophobicContact CD2-CB 3.65Å; L12-R80 HydrophobicContact CD2-CG 3.86Å; N43-R80 PolarHBondContact N-O 2.84Å; N43-R80 PolarHBondContact O-N 3.46Å; V45-R80 HydrophobicContact CG2-CB 3.42Å; V45-R80 VanDerWaalsContact CG2-CB 3.42Å
81S94.1Very high93.8Very high1 Ų142.9 Ų42.91%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-153.8159177.5162.50000109.9S10 F11 D41 N83S10-S81 CarbonylContact C-O 3.54Å; S10-S81 VanDerWaalsContact CA-O 3.29Å; S10-S81 WeakPolarHBondContact CA-O 3.21Å; S10-S81 WeakPolarHBondContact CB-O 3.1Å; F11-S81 WeakPolarHBondContact CD1-O 3.34Å; F11-S81 WeakPolarHBondContact CE1-O 3.48Å; F11-S81 PolarHBondContact N-O 3.29Å; F11-S81 PolarHBondContact O-N 2.71Å; F11-S81 VanDerWaalsContact O-N 3.1Å; D41-S81 PolarHBondContact OD2-OG 2.78Å; S81-N83 PolarHBondContact OG-N 3.22Å; S81-N83 VanDerWaalsContact OG-N 3.13Å; S81-N83 PolarHBondContact OG-O 3.46Å
82T91.5Very high93.9Very high68 Ų6842.8 Ų42.842%0.41722%0.216SC..SBendtrans-100.9-24.317270.40000111.7S9 D41S9-T82 WeakPolarHBondContact O-CG2 3.35Å; D41-T82 PolarHBondContact OD1-OG1 3.07Å; D41-T82 PolarHBondContact OD2-N 2.91Å; D41-T82 PolarHBondContact OD2-OG1 3.26Å
83N90.5Very high93.9Very high69 Ų6938.5 Ų38.537%0.36919%0.194SC..  trans-132.4128.4-175.7-179.40.3000111.9D41 S81 Y85D41-N83 PolarHBondContact OD2-N 2.78Å; S81-N83 PolarHBondContact OG-N 3.22Å; S81-N83 VanDerWaalsContact OG-N 3.13Å; S81-N83 PolarHBondContact OG-O 3.46Å; N83-Y85 PolarHBondContact O-N 3.33Å; N83-Y85 WeakPolarHBondContact OD1-CB 3.4Å; N83-Y85 PolarHBondContact OD1-N 2.96Å
84P90.3Very high93.9Very high38 Ų3836.8 Ų36.825%0.24719%0.186CC..  trans-65.3-6.7177.529.6-38.4000115.2W87 Y188P84-W87 HydrophobicContact CB-CE3 4.12Å; P84-W87 HydrophobicContact CB-CZ3 4.25Å; P84-W87 PolarHBondContact O-N 3.21Å; P84-Y188 VanDerWaalsContact CD-OH 3.23Å; P84-Y188 WeakPolarHBondContact CD-OH 3.29Å; P84-Y188 HydrophobicContact CG-CD1 4.09Å; P84-Y188 HydrophobicContact CG-CE1 3.58Å; P84-Y188 HydrophobicContact CG-CE2 4.16Å
85Y90.7Very high93.7Very high183 Ų18334 Ų3472%0.71817%0.165SC*.THydrogen-bonded Turntrans-56.1138.8175.2-178.1-101.7000111.8W42 N83W42-Y85 PolarHBondContact NE1-O 3.12Å; N83-Y85 PolarHBondContact O-N 3.33Å; N83-Y85 WeakPolarHBondContact OD1-CB 3.4Å; N83-Y85 PolarHBondContact OD1-N 2.96Å
86G90.9Very high93.5Very high25 Ų2533.9 Ų33.926%0.25816%0.164SC..THydrogen-bonded Turntrans70.835-176.900000113.9F38 G39 W42F38-G86 CarbonylContact C-O 3.58Å; G39-G86 PolarHBondContact N-O 2.61Å; W42-G86 PolarHBondContact NE1-O 3.02Å
87W93.1Very high93.2Very high36 Ų3631 Ų3114%0.13615%0.15CC..  trans-45.6137-177.1-167.8-93.3000113.6F11 L13 W42 P84 R89 V113 T115F11-W87 HydrophobicContact CE2-CZ3 4.36Å; L13-W87 HydrophobicContact CD1-CH2 4.04Å; L13-W87 HydrophobicContact CD1-CZ2 4.01Å; L13-W87 HydrophobicContact CD2-CH2 3.8Å; L13-W87 HydrophobicContact CD2-CZ2 3.47Å; L13-W87 VanDerWaalsContact CD2-CZ2 3.47Å; L13-W87 HydrophobicContact CG-CZ2 4.4Å; W42-W87 HydrophobicContact CH2-CD2 4.09Å; W42-W87 AromaticContact CH2-CE3 3.53Å; W42-W87 HydrophobicContact CH2-CE3 3.53Å; W42-W87 HydrophobicContact CH2-CH2 4.02Å; W42-W87 AromaticContact CH2-CZ3 3.48Å; W42-W87 HydrophobicContact CH2-CZ3 3.48Å; W42-W87 VanDerWaalsContact CH2-CZ3 3.48Å; W42-W87 HydrophobicContact CZ2-CD2 4.06Å; W42-W87 AromaticContact CZ2-CE3 3.4Å; W42-W87 HydrophobicContact CZ2-CE3 3.4Å; W42-W87 AromaticContact CZ2-CZ3 3.77Å; W42-W87 HydrophobicContact CZ2-CZ3 3.77Å; P84-W87 HydrophobicContact CB-CE3 4.12Å; P84-W87 HydrophobicContact CB-CZ3 4.25Å; P84-W87 PolarHBondContact O-N 3.21Å; W87-R89 PolarHBondContact O-N 3.18Å; W87-V113 PolarHBondContact NE1-O 2.79Å; W87-T115 HydrophobicContact CD2-CG2 4.13Å; W87-T115 HydrophobicContact CH2-CG2 4.45Å; W87-T115 HydrophobicContact CZ2-CG2 3.96Å
88P94.5Very high92.7Very high0 Ų031.8 Ų31.80%016%0.155CC..  trans-56.3136.4-176.2-27.234.7000113.4L13 F38 W42 F79 V113L13-P88 HydrophobicContact CD2-CG 4.35Å; F38-P88 HydrophobicContact CB-CB 4.28Å; F38-P88 HydrophobicContact CB-CG 4.16Å; W42-P88 HydrophobicContact CD2-CG 3.81Å; W42-P88 HydrophobicContact CE3-CG 3.44Å; W42-P88 VanDerWaalsContact CE3-CG 3.44Å; W42-P88 HydrophobicContact CH2-CG 4.05Å; W42-P88 HydrophobicContact CZ2-CG 4.36Å; W42-P88 HydrophobicContact CZ3-CG 3.6Å; F79-P88 HydrophobicContact CD1-CG 4.34Å; F79-P88 HydrophobicContact CD2-CB 4.46Å; F79-P88 HydrophobicContact CD2-CG 4.01Å; F79-P88 HydrophobicContact CE1-CB 4.5Å; F79-P88 HydrophobicContact CE1-CG 4.25Å; F79-P88 HydrophobicContact CE2-CB 3.87Å; F79-P88 HydrophobicContact CE2-CG 3.9Å; F79-P88 HydrophobicContact CG-CG 4.21Å; F79-P88 HydrophobicContact CZ-CB 3.87Å; F79-P88 HydrophobicContact CZ-CG 4Å; P88-V113 HydrophobicContact CB-CB 4.35Å; P88-V113 HydrophobicContact CB-CG2 3.89Å; P88-V113 WeakPolarHBondContact O-CB 3.5Å; P88-V113 WeakPolarHBondContact O-CG2 3.06Å; P88-V113 PolarHBondContact O-N 2.89Å
89R93.9Very high92Very high40 Ų4040.9 Ų40.915%0.15119%0.187CC..EExtended strand (participates in β ladder)trans-119.3137.3173.8-67.9169.1-67.6-163.8-5.4108.6F36 A37 W87 T111 H112 A156F36-R89 CarbonylContact C-O 3.6Å; F36-R89 WeakPolarHBondContact CA-O 3.38Å; A37-R89 PolarHBondContact N-O 2.84Å; A37-R89 PolarHBondContact O-N 3.3Å; W87-R89 PolarHBondContact O-N 3.18Å; R89-T111 CarbonylContact C-O 3.59Å; R89-T111 WeakPolarHBondContact CA-O 3.22Å; R89-H112 WeakPolarHBondContact CG-ND1 3.34Å; R89-A156 HydrophobicContact CB-CB 4.17Å; R89-A156 VanDerWaalsContact CZ-O 3.28Å; R89-A156 PolarHBondContact NH1-O 3.34Å
90L94.5Very high91.3Very high0 Ų047.8 Ų47.80%021%0.213CC..EExtended strand (participates in β ladder)trans-94.1115.3172.117864.5000108.3Y34 F36 I75 I92 F110 T111 I174 M176Y34-L90 HydrophobicContact CD2-CD1 3.95Å; Y34-L90 HydrophobicContact CG-CD1 4.13Å; F36-L90 HydrophobicContact CD1-CB 4.44Å; F36-L90 HydrophobicContact CD1-CD1 4.36Å; F36-L90 HydrophobicContact CD2-CD1 4.15Å; F36-L90 HydrophobicContact CE1-CB 4.16Å; F36-L90 HydrophobicContact CE1-CD1 4.06Å; F36-L90 HydrophobicContact CE2-CD1 3.84Å; F36-L90 HydrophobicContact CG-CD1 4.43Å; F36-L90 HydrophobicContact CZ-CD1 3.81Å; I75-L90 HydrophobicContact CD1-CD2 3.72Å; L90-I92 HydrophobicContact CD2-CD1 4.24Å; L90-I92 HydrophobicContact CG-CD1 4.36Å; L90-I92 HydrophobicContact CG-CG1 4.29Å; L90-F110 CarbonylContact O-C 3.59Å; L90-F110 WeakPolarHBondContact O-CA 3.4Å; L90-T111 HydrophobicContact CB-CG2 3.98Å; L90-T111 HydrophobicContact CD2-CG2 4.26Å; L90-T111 PolarHBondContact N-O 2.8Å; L90-T111 PolarHBondContact O-N 2.69Å; L90-I174 HydrophobicContact CD2-CD1 4.11Å; L90-I174 HydrophobicContact CD2-CG2 4.11Å; L90-M176 HydrophobicContact CD2-SD 4.36Å
91T94.2Very high90.7Very high1 Ų144.8 Ų44.81%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-96.3138.8173-45.10000108.8Y34 C35 P152 V155 A156Y34-T91 CarbonylContact C-O 3.57Å; Y34-T91 VanDerWaalsContact CA-O 3.23Å; Y34-T91 WeakPolarHBondContact CA-O 3.42Å; C35-T91 PolarHBondContact N-O 3.04Å; C35-T91 WeakPolarHBondContact O-CA 3.48Å; C35-T91 WeakPolarHBondContact O-CB 3.49Å; C35-T91 PolarHBondContact O-N 2.79Å; T91-P152 HydrophobicContact CG2-CB 4.5Å; T91-P152 WeakPolarHBondContact CG2-O 3.44Å; T91-V155 HydrophobicContact CG2-CB 4.42Å; T91-A156 WeakPolarHBondContact OG1-CB 3.26Å
92I94.5Very high90.3Very high0 Ų048.4 Ų48.40%024%0.237CC..EExtended strand (participates in β ladder)trans-128.7133.7179.2-68.7162.5000109.1I19 C32 R33 L90 Y108 G109 M126 V172 I174I19-I92 HydrophobicContact CD1-CD1 4.3Å; I19-I92 HydrophobicContact CD1-CG1 4.38Å; C32-I92 WeakPolarHBondContact SG-CG2 3.34Å; R33-I92 CarbonylContact O-C 3.57Å; R33-I92 WeakPolarHBondContact O-CA 3.29Å; L90-I92 HydrophobicContact CD2-CD1 4.24Å; L90-I92 HydrophobicContact CG-CD1 4.36Å; L90-I92 HydrophobicContact CG-CG1 4.29Å; I92-Y108 CarbonylContact O-C 3.55Å; I92-Y108 WeakPolarHBondContact O-CA 3.35Å; I92-G109 PolarHBondContact N-O 3.26Å; I92-G109 PolarHBondContact O-N 3.44Å; I92-M126 HydrophobicContact CB-CE 4.4Å; I92-M126 HydrophobicContact CG2-CE 3.85Å; I92-M126 HydrophobicContact CG2-SD 4.42Å; I92-V172 HydrophobicContact CD1-CG1 4.33Å; I92-I174 HydrophobicContact CD1-CD1 3.15Å; I92-I174 HydrophobicContact CD1-CG1 3.8Å
93A93.8Very high90.1Very high1 Ų149.3 Ų49.31%0.00824%0.239CC..EExtended strand (participates in β ladder)trans-122.8120.5171.900000108.3R33 Y95 I105 Y108 P152R33-A93 PolarHBondContact N-O 2.74Å; R33-A93 PolarHBondContact O-N 2.82Å; A93-Y95 HydrophobicContact CB-CE2 3.81Å; A93-I105 HydrophobicContact CB-CD1 3.86Å; A93-Y108 HydrophobicContact CB-CD1 3.74Å; A93-Y108 HydrophobicContact CB-CE1 3.82Å; A93-P152 HydrophobicContact CB-CB 4.26Å
94C93.9Very high89.9Confident0 Ų046.2 Ų46.20%022%0.223CC..EExtended strand (participates in β ladder)trans-103.4129.1176.5-67.60000109.8F24 V30 Y31 I105 R106 G107 M126F24-C94 HydrophobicContact CE2-CB 3.55Å; F24-C94 HydrophobicContact CZ-CB 3.47Å; F24-C94 VanDerWaalsContact CZ-CB 3.47Å; V30-C94 HydrophobicContact CG1-CB 4.19Å; Y31-C94 CarbonylContact O-C 3.57Å; Y31-C94 WeakPolarHBondContact O-CA 3.23Å; C94-I105 WeakPolarHBondContact O-CD1 3.15Å; C94-R106 PolarHBondContact O-N 3.35Å; C94-G107 PolarHBondContact N-O 3.2Å; C94-G107 PolarHBondContact O-N 3.12Å; C94-M126 HydrophobicContact CB-CE 4.27Å
95Y92.8Very high89.9Confident25 Ų2544.6 Ų44.610%0.09821%0.212CC..EExtended strand (participates in β ladder)trans-113.4157.5177.7-59.5-92.8000109.2V30 Y31 R33 A93 V104 I105V30-Y95 VanDerWaalsContact CA-O 3.29Å; V30-Y95 WeakPolarHBondContact CA-O 3.31Å; Y31-Y95 AromaticContact CD2-CD2 3.94Å; Y31-Y95 HydrophobicContact CD2-CD2 3.94Å; Y31-Y95 HydrophobicContact CD2-CG 4.37Å; Y31-Y95 HydrophobicContact CE1-CG 4.3Å; Y31-Y95 AromaticContact CE2-CD2 3.36Å; Y31-Y95 HydrophobicContact CE2-CD2 3.36Å; Y31-Y95 HydrophobicContact CE2-CE2 4.24Å; Y31-Y95 AromaticContact CE2-CG 3.61Å; Y31-Y95 HydrophobicContact CE2-CG 3.61Å; Y31-Y95 AromaticContact CZ-CD2 3.89Å; Y31-Y95 AromaticContact CZ-CG 3.61Å; Y31-Y95 PolarHBondContact N-O 3.02Å; Y31-Y95 PolarHBondContact O-N 3.04Å; R33-Y95 HydrophobicContact CB-CE2 4.01Å; A93-Y95 HydrophobicContact CB-CE2 3.81Å; Y95-V104 CarbonylContact C-O 3.56Å; Y95-V104 WeakPolarHBondContact CA-O 3.41Å; Y95-I105 HydrophobicContact CD1-CB 4.27Å; Y95-I105 HydrophobicContact CD1-CD1 4.03Å; Y95-I105 HydrophobicContact CD2-CD1 4.5Å; Y95-I105 HydrophobicContact CE1-CB 4.25Å; Y95-I105 HydrophobicContact CE1-CD1 3.75Å; Y95-I105 HydrophobicContact CE2-CD1 4.25Å; Y95-I105 HydrophobicContact CG-CD1 4.38Å
96G92Very high89.9Confident0 Ų038.3 Ų38.30%019%0.187CC..EExtended strand (participates in β ladder)trans-166.2156.3173.600000111.2D29 V104 R106D29-G96 WeakPolarHBondContact O-CA 3.41Å; G96-V104 PolarHBondContact N-O 3.35Å; G96-V104 PolarHBondContact O-N 3.36Å; G96-V104 VanDerWaalsContact O-O 3.13Å; G96-R106 PolarHBondContact O-NE 3.07Å
97S89.1Confident89.9Confident22 Ų2237.1 Ų37.115%0.15418%0.175CC..EExtended strand (participates in β ladder)trans-71.5136.2-172.2-59.70000111.9D29 N102 R106D29-S97 VanDerWaalsContact OD1-CB 3.26Å; D29-S97 WeakPolarHBondContact OD1-CB 3.46Å; D29-S97 PolarHBondContact OD1-N 2.89Å; D29-S97 VanDerWaalsContact OD2-CB 3.27Å; D29-S97 WeakPolarHBondContact OD2-CB 3.41Å; D29-S97 PolarHBondContact OD2-OG 2.75Å; S97-N102 CarbonylContact C-O 3.47Å; S97-N102 WeakPolarHBondContact CA-O 3.37Å; S97-R106 PolarHBondContact O-NH2 3.48Å
98D86Confident89.9Confident18 Ų1835.5 Ų35.510%0.09617%0.169CC..  trans-77-179.516774.49.4000111.9W100 G101 N102 V104D98-W100 PolarHBondContact O-N 2.84Å; D98-W100 VanDerWaalsContact OD1-C 3.25Å; D98-W100 VanDerWaalsContact OD1-CA 3.26Å; D98-W100 WeakPolarHBondContact OD1-CA 3.14Å; D98-W100 WeakPolarHBondContact OD1-CB 3.47Å; D98-W100 PolarHBondContact OD1-N 2.97Å; D98-G101 PolarHBondContact O-N 2.96Å; D98-G101 PolarHBondContact OD1-N 2.64Å; D98-N102 PolarHBondContact N-O 2.85Å; D98-N102 PolarHBondContact OD1-N 2.79Å; D98-N102 PolarHBondContact OD1-ND2 2.89Å; D98-N102 PolarHBondContact OD2-ND2 2.69Å; D98-V104 HydrophobicContact CB-CG2 4.03Å
99W81.5Confident89.8Confident215 Ų21535.5 Ų35.581%0.81417%0.169SC*.THydrogen-bonded Turntrans-63.6-18.7177.5-63.4-38.6000114.3W141W99-W141 HydrophobicContact CE3-CZ2 4.45Å; W99-W141 HydrophobicContact CH2-CZ2 4.15Å; W99-W141 AromaticContact CZ3-CH2 3.87Å; W99-W141 HydrophobicContact CZ3-CH2 3.87Å; W99-W141 AromaticContact CZ3-CZ2 3.6Å; W99-W141 HydrophobicContact CZ3-CZ2 3.6Å
100W80.9Confident89.8Confident146 Ų14635.9 Ų35.955%0.55317%0.172SC*.THydrogen-bonded Turntrans-950.9175.7-67.9-76.1000112.6D98 N102 L142D98-W100 PolarHBondContact O-N 2.84Å; D98-W100 VanDerWaalsContact OD1-C 3.25Å; D98-W100 VanDerWaalsContact OD1-CA 3.26Å; D98-W100 WeakPolarHBondContact OD1-CA 3.14Å; D98-W100 WeakPolarHBondContact OD1-CB 3.47Å; D98-W100 PolarHBondContact OD1-N 2.97Å; W100-N102 VanDerWaalsContact C-N 3.34Å; W100-L142 HydrophobicContact CH2-CD1 4.1Å; W100-L142 HydrophobicContact CZ2-CD1 4.5Å
101G82.8Confident89.8Confident53 Ų5336.7 Ų36.755%0.54618%0.177SC..SBendtrans7814.9-178.300000114.3D98D98-G101 PolarHBondContact O-N 2.96Å; D98-G101 PolarHBondContact OD1-N 2.64Å
102N85.1Confident89.7Confident77 Ų7741.2 Ų41.241%0.41220%0.198SC..  trans-81.7137.3171.4-52.1-64.3000109.7S97 D98 W100 V104S97-N102 CarbonylContact C-O 3.47Å; S97-N102 WeakPolarHBondContact CA-O 3.37Å; D98-N102 PolarHBondContact N-O 2.85Å; D98-N102 PolarHBondContact OD1-N 2.79Å; D98-N102 PolarHBondContact OD1-ND2 2.89Å; D98-N102 PolarHBondContact OD2-ND2 2.69Å; W100-N102 VanDerWaalsContact C-N 3.34Å; N102-V104 PolarHBondContact O-N 2.74Å
103D86.5Confident89.7Confident86 Ų8641.3 Ų41.346%0.4620%0.198SC..EExtended strand (participates in β ladder)trans-66.8124.6170.4-80-10.5000110.2Y31Y31-D103 WeakPolarHBondContact CE1-OD2 3.42Å; Y31-D103 PolarHBondContact OH-OD2 3.18Å
104V87.9Confident89.7Confident4 Ų441.8 Ų41.82%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-131.8136.6-178172.30000110.1Y95 G96 D98 N102 R106 R146Y95-V104 CarbonylContact C-O 3.56Å; Y95-V104 WeakPolarHBondContact CA-O 3.41Å; G96-V104 PolarHBondContact N-O 3.35Å; G96-V104 PolarHBondContact O-N 3.36Å; G96-V104 VanDerWaalsContact O-O 3.13Å; D98-V104 HydrophobicContact CB-CG2 4.03Å; N102-V104 PolarHBondContact O-N 2.74Å; V104-R106 PolarHBondContact O-N 3.31Å; V104-R146 HydrophobicContact CG1-CB 4.38Å; V104-R146 VanDerWaalsContact CG1-CD 3.45Å; V104-R146 HydrophobicContact CG1-CG 4.14Å
105I89.4Confident89.6Confident5 Ų545.6 Ų45.63%0.02623%0.225CC..EExtended strand (participates in β ladder)trans-59121.9171-168.980.6000112.1A93 C94 Y95 Y108 E148A93-I105 HydrophobicContact CB-CD1 3.86Å; C94-I105 WeakPolarHBondContact O-CD1 3.15Å; Y95-I105 HydrophobicContact CD1-CB 4.27Å; Y95-I105 HydrophobicContact CD1-CD1 4.03Å; Y95-I105 HydrophobicContact CD2-CD1 4.5Å; Y95-I105 HydrophobicContact CE1-CB 4.25Å; Y95-I105 HydrophobicContact CE1-CD1 3.75Å; Y95-I105 HydrophobicContact CE2-CD1 4.25Å; Y95-I105 HydrophobicContact CG-CD1 4.38Å; I105-Y108 HydrophobicContact CB-CE2 4.43Å; I105-Y108 HydrophobicContact CD1-CD1 4.08Å; I105-Y108 HydrophobicContact CD1-CD2 4.4Å; I105-Y108 HydrophobicContact CD1-CE1 3.61Å; I105-Y108 HydrophobicContact CD1-CE2 4Å; I105-Y108 HydrophobicContact CD1-CG 4.46Å; I105-Y108 HydrophobicContact CG1-CD2 4.01Å; I105-Y108 HydrophobicContact CG1-CE1 4.09Å; I105-Y108 HydrophobicContact CG1-CE2 3.49Å; I105-Y108 VanDerWaalsContact CG1-CE2 3.49Å; I105-Y108 HydrophobicContact CG2-CE2 4.31Å; I105-E148 HydrophobicContact CG2-CG 4.08Å
106R90.4Very high89.6Confident50 Ų5045.6 Ų45.619%0.18923%0.227CC..EExtended strand (participates in β ladder)trans-93.7-24.7175.9-60.5-55.3-171.8123.63.2112.9F24 G26 V27 C94 G96 S97 V104 V128 T169F24-R106 HydrophobicContact CD1-CB 4.3Å; F24-R106 HydrophobicContact CE1-CB 4.16Å; F24-R106 HydrophobicContact CZ-CB 4.49Å; G26-R106 PolarHBondContact O-NH1 3.4Å; V27-R106 HydrophobicContact CG1-CG 4.48Å; V27-R106 HydrophobicContact CG2-CG 4.21Å; C94-R106 PolarHBondContact O-N 3.35Å; G96-R106 PolarHBondContact O-NE 3.07Å; S97-R106 PolarHBondContact O-NH2 3.48Å; V104-R106 PolarHBondContact O-N 3.31Å; R106-V128 WeakPolarHBondContact O-CG2 3.42Å; R106-T169 WeakPolarHBondContact O-CB 3.2Å; R106-T169 PolarHBondContact O-OG1 2.97Å
107G91.5Very high89.6Confident0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans175.5152.317400000113.1C94 M126C94-G107 PolarHBondContact N-O 3.2Å; C94-G107 PolarHBondContact O-N 3.12Å; G107-M126 WeakPolarHBondContact O-CE 3.33Å
108Y92.2Very high89.8Confident2 Ų248.8 Ų48.81%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-106148.2166.6-60.4-83.3000109.7I92 A93 I105 M126 F127 F149 P152 V155I92-Y108 CarbonylContact O-C 3.55Å; I92-Y108 WeakPolarHBondContact O-CA 3.35Å; A93-Y108 HydrophobicContact CB-CD1 3.74Å; A93-Y108 HydrophobicContact CB-CE1 3.82Å; I105-Y108 HydrophobicContact CB-CE2 4.43Å; I105-Y108 HydrophobicContact CD1-CD1 4.08Å; I105-Y108 HydrophobicContact CD1-CD2 4.4Å; I105-Y108 HydrophobicContact CD1-CE1 3.61Å; I105-Y108 HydrophobicContact CD1-CE2 4Å; I105-Y108 HydrophobicContact CD1-CG 4.46Å; I105-Y108 HydrophobicContact CG1-CD2 4.01Å; I105-Y108 HydrophobicContact CG1-CE1 4.09Å; I105-Y108 HydrophobicContact CG1-CE2 3.49Å; I105-Y108 VanDerWaalsContact CG1-CE2 3.49Å; I105-Y108 HydrophobicContact CG2-CE2 4.31Å; Y108-M126 VanDerWaalsContact C-CE 3.47Å; Y108-M126 CarbonylContact O-C 3.5Å; Y108-M126 WeakPolarHBondContact O-CA 3.18Å; Y108-F127 PolarHBondContact N-O 3.45Å; Y108-F127 WeakPolarHBondContact O-CD1 3.38Å; Y108-F127 WeakPolarHBondContact O-CG 3.29Å; Y108-F127 PolarHBondContact O-N 2.95Å; Y108-F149 HydrophobicContact CD1-CD2 4.3Å; Y108-F149 AromaticContact CD2-CD2 3.48Å; Y108-F149 HydrophobicContact CD2-CD2 3.48Å; Y108-F149 VanDerWaalsContact CD2-CD2 3.48Å; Y108-F149 AromaticContact CD2-CE2 3.67Å; Y108-F149 HydrophobicContact CD2-CE2 3.67Å; Y108-F149 HydrophobicContact CE1-CD2 4.18Å; Y108-F149 AromaticContact CE2-CD2 3.29Å; Y108-F149 HydrophobicContact CE2-CD2 3.29Å; Y108-F149 AromaticContact CE2-CE2 3.84Å; Y108-F149 HydrophobicContact CE2-CE2 3.84Å; Y108-F149 HydrophobicContact CE2-CG 4.29Å; Y108-F149 AromaticContact CG-CD2 3.97Å; Y108-F149 HydrophobicContact CG-CD2 3.97Å; Y108-F149 HydrophobicContact CG-CE2 4.29Å; Y108-F149 AromaticContact CZ-CD2 3.68Å; Y108-F149 PolarHBondContact OH-N 3.01Å; Y108-F149 VanDerWaalsContact OH-N 3.12Å; Y108-P152 HydrophobicContact CD1-CB 4.28Å; Y108-P152 HydrophobicContact CE1-CB 4.07Å; Y108-V155 HydrophobicContact CD1-CG2 4.26Å; Y108-V155 HydrophobicContact CG-CG2 4.04Å
109G93.1Very high90.2Very high0 Ų054.9 Ų54.90%027%0.274CS..EExtended strand (participates in β ladder)trans-149.8160.9174.500000109.4I92I92-G109 PolarHBondContact N-O 3.26Å; I92-G109 PolarHBondContact O-N 3.44Å
110F93.3Very high90.9Very high48 Ų4845.6 Ų45.621%0.21124%0.24CC..EExtended strand (participates in β ladder)trans-144.5155.2170.776.2-83.6000110.2L90 H112 F127 V155 A156L90-F110 CarbonylContact O-C 3.59Å; L90-F110 WeakPolarHBondContact O-CA 3.4Å; F110-H112 AromaticContact CE2-NE2 3.87Å; F110-F127 HydrophobicContact CD1-CE1 4.46Å; F110-F127 HydrophobicContact CD1-CZ 4.43Å; F110-V155 HydrophobicContact CD1-CG1 4.08Å; F110-A156 HydrophobicContact CB-CB 4.28Å; F110-A156 HydrophobicContact CG-CB 4.5Å
111T94.1Very high91.7Very high18 Ų1842 Ų4211%0.1123%0.234CC..EExtended strand (participates in β ladder)trans-141.5148.2172.5-164.60000110.1R89 L90 V124 I174 M176R89-T111 CarbonylContact C-O 3.59Å; R89-T111 WeakPolarHBondContact CA-O 3.22Å; L90-T111 HydrophobicContact CB-CG2 3.98Å; L90-T111 HydrophobicContact CD2-CG2 4.26Å; L90-T111 PolarHBondContact N-O 2.8Å; L90-T111 PolarHBondContact O-N 2.69Å; T111-V124 HydrophobicContact CG2-CG2 4.06Å; T111-I174 HydrophobicContact CG2-CD1 3.9Å; T111-M176 HydrophobicContact CG2-CE 3.92Å; T111-M176 HydrophobicContact CG2-SD 4.49Å
112H93.4Very high92.3Very high95 Ų9545 Ų4544%0.4423%0.229SC..EExtended strand (participates in β ladder)trans-78.3139.3173.3-71.9-93.6000109.5R89 F110 P114R89-H112 WeakPolarHBondContact CG-ND1 3.34Å; F110-H112 AromaticContact CE2-NE2 3.87Å; H112-P114 WeakPolarHBondContact O-CD 3.39Å
113V94.6Very high92.8Very high2 Ų247.3 Ų47.31%0.01224%0.235CC..PPolyproline II helixtrans-60.8128.6169.3174.50000107.9L13 V15 F36 W87 P88 T115 I178L13-V113 HydrophobicContact CD2-CG1 4.14Å; V15-V113 HydrophobicContact CG1-CG1 4.39Å; V15-V113 HydrophobicContact CG2-CG1 3.65Å; V15-V113 HydrophobicContact CG2-CG2 4.43Å; F36-V113 HydrophobicContact CD1-CG2 4.3Å; F36-V113 HydrophobicContact CE1-CG2 3.84Å; W87-V113 PolarHBondContact NE1-O 2.79Å; P88-V113 HydrophobicContact CB-CB 4.35Å; P88-V113 HydrophobicContact CB-CG2 3.89Å; P88-V113 WeakPolarHBondContact O-CB 3.5Å; P88-V113 WeakPolarHBondContact O-CG2 3.06Å; P88-V113 PolarHBondContact O-N 2.89Å; V113-T115 PolarHBondContact O-N 2.8Å; V113-I178 HydrophobicContact CG1-CD1 3.62Å; V113-I178 HydrophobicContact CG1-CG1 4.49Å
114P94.1Very high93.2Very high11 Ų1143.6 Ų43.67%0.07122%0.216CC..PPolyproline II helixtrans-58.4133.2179.3-20.427.7000111.6H112 V116 H120 M176 I178H112-P114 WeakPolarHBondContact O-CD 3.39Å; P114-V116 VanDerWaalsContact C-N 3.3Å; P114-H120 HydrophobicContact CB-CB 4.23Å; P114-H120 VanDerWaalsContact CB-CD2 3.41Å; P114-H120 WeakPolarHBondContact CB-CD2 3.41Å; P114-H120 HydrophobicContact CG-CB 3.59Å; P114-M176 HydrophobicContact CG-CE 4.18Å; P114-I178 HydrophobicContact CB-CG1 3.97Å; P114-I178 HydrophobicContact CG-CG1 4.04Å
115T91.3Very high93.4Very high81 Ų8146.2 Ų46.250%0.49724%0.238SC..SBendtrans-76.6-20.9178.850.80000113W87 V113W87-T115 HydrophobicContact CD2-CG2 4.13Å; W87-T115 HydrophobicContact CH2-CG2 4.45Å; W87-T115 HydrophobicContact CZ2-CG2 3.96Å; V113-T115 PolarHBondContact O-N 2.8Å
116V91.5Very high93.6Very high25 Ų2546 Ų4615%0.15224%0.236CC..SBendtrans-91.3132.4-178173.40000109.6P114 H120 K192P114-V116 VanDerWaalsContact C-N 3.3Å; V116-H120 PolarHBondContact O-NE2 2.83Å; V116-K192 HydrophobicContact CG1-CD 4.2Å; V116-K192 HydrophobicContact CG1-CG 3.37Å
117P92.6Very high93.6Very high59 Ų5945.4 Ų45.438%0.38324%0.236SC..SBendtrans-66.7148.9175.229-33.5000112.2I178 A190P117-I178 CarbonylContact C-O 3.53Å; P117-I178 WeakPolarHBondContact CA-O 3.43Å; P117-I178 WeakPolarHBondContact CB-O 3.17Å; P117-A190 WeakPolarHBondContact CD-O 2.9Å
118G93.6Very high93.4Very high29 Ų2947 Ų4730%0.29925%0.245SC..EExtended strand (participates in β ladder)trans117.1-170.4-178.500000113.6H120 Q177 I178G118-H120 PolarHBondContact O-CD2 2.89Å; G118-Q177 VanDerWaalsContact C-OE1 3.29Å; G118-Q177 PolarHBondContact O-OE1 2.8Å; G118-I178 PolarHBondContact N-O 2.93Å; G118-I178 PolarHBondContact O-N 2.73Å
119R95.4Very high92.9Very high146 Ų14648.1 Ų48.155%0.55125%0.252SS*.EExtended strand (participates in β ladder)trans-83.5130.9-178.6-164.8174.2177.5166.8-0.8111.6E20 T175 Q177E20-R119 IonicContact OE1-NH2 3.63Å; R119-T175 HydrophobicContact CG-CG2 4.04Å; R119-Q177 HydrophobicContact CG-CG 4.48Å
120H95.7Very high92.1Very high20 Ų2054.3 Ų54.39%0.09328%0.279CS..EExtended strand (participates in β ladder)trans-133.8124.2175.2-59.2-92000109.6P114 V116 G118 T175 M176P114-H120 HydrophobicContact CB-CB 4.23Å; P114-H120 VanDerWaalsContact CB-CD2 3.41Å; P114-H120 WeakPolarHBondContact CB-CD2 3.41Å; P114-H120 HydrophobicContact CG-CB 3.59Å; V116-H120 PolarHBondContact O-NE2 2.83Å; G118-H120 PolarHBondContact O-CD2 2.89Å; H120-T175 WeakPolarHBondContact O-CA 3.1Å; H120-M176 PolarHBondContact N-O 3.23Å; H120-M176 PolarHBondContact O-N 3.5Å
121T96.5Very high90.9Very high70 Ų7053.7 Ų53.743%0.42928%0.281SS..EExtended strand (participates in β ladder)trans-101.4131.2168.3-57.30000108.3T173 I174 T175T121-T173 HydrophobicContact CG2-CG2 3.81Å; T121-I174 CarbonylContact C-O 3.4Å; T121-I174 WeakPolarHBondContact CA-O 3.27Å; T121-T175 PolarHBondContact OG1-OG1 2.84Å
122R95.5Very high89.5Confident116 Ų11658.7 Ų58.744%0.43832%0.317SS..EExtended strand (participates in β ladder)trans-130.2125.8-177.8-66.7-65.2-178.3-122.54.1109.2I174 M176R122-I174 PolarHBondContact N-O 2.79Å; R122-I174 PolarHBondContact O-N 3.38Å; R122-M176 HydrophobicContact CB-CE 4.23Å; R122-M176 HydrophobicContact CG-CE 3.88Å
123K95.6Very high88.3Confident126 Ų12656.4 Ų56.455%0.54831%0.312SS..EExtended strand (participates in β ladder)trans-93.6112.6169.4-171.2162.8-177.4158.20108E23 S171E23-K123 IonicContact OE1-NZ 3.72Å; E23-K123 PolarHBondContact OE1-NZ 2.94Å; E23-K123 IonicContact OE2-NZ 2.71Å; E23-K123 PolarHBondContact OE2-NZ 3.47Å; K123-S171 WeakPolarHBondContact CE-OG 3.18Å
124V94.9Very high86.8Confident9 Ų964.8 Ų64.86%0.05535%0.348CS..EExtended strand (participates in β ladder)trans-98.2124.2-176.9-179.20000108.6T111 M126 S171 V172 I174T111-V124 HydrophobicContact CG2-CG2 4.06Å; V124-M126 HydrophobicContact CG1-SD 4.33Å; V124-S171 CarbonylContact O-C 3.47Å; V124-S171 WeakPolarHBondContact O-CA 3.43Å; V124-V172 PolarHBondContact N-O 3.5Å; V124-V172 PolarHBondContact O-N 3.18Å; V124-I174 HydrophobicContact CB-CD1 4.35Å; V124-I174 HydrophobicContact CG2-CD1 3.46Å; V124-I174 VanDerWaalsContact CG2-CD1 3.46Å; V124-I174 HydrophobicContact CG2-CG1 4.48Å
125A93.7Very high85.2Confident58 Ų5870.9 Ų70.948%0.47938%0.379SS..EExtended strand (participates in β ladder)trans-74.8131.5173.100000109.8T168A125-T168 HydrophobicContact CB-CG2 4.22Å
126M93.4Very high83.7Confident0 Ų074.7 Ų74.70%039%0.389CS..EExtended strand (participates in β ladder)trans-98.6136.4-179.8-57.2-58.7-66.600109.5F24 I92 C94 G107 Y108 V124 T168 T169 G170 V172F24-M126 HydrophobicContact CE1-CB 3.77Å; F24-M126 HydrophobicContact CE1-CG 4.07Å; F24-M126 HydrophobicContact CZ-CB 3.87Å; F24-M126 HydrophobicContact CZ-CE 4.41Å; F24-M126 HydrophobicContact CZ-CG 3.67Å; I92-M126 HydrophobicContact CB-CE 4.4Å; I92-M126 HydrophobicContact CG2-CE 3.85Å; I92-M126 HydrophobicContact CG2-SD 4.42Å; C94-M126 HydrophobicContact CB-CE 4.27Å; G107-M126 WeakPolarHBondContact O-CE 3.33Å; Y108-M126 VanDerWaalsContact C-CE 3.47Å; Y108-M126 CarbonylContact O-C 3.5Å; Y108-M126 WeakPolarHBondContact O-CA 3.18Å; V124-M126 HydrophobicContact CG1-SD 4.33Å; M126-T168 CarbonylContact O-C 3.52Å; M126-T168 VanDerWaalsContact O-CA 3.27Å; M126-T168 WeakPolarHBondContact O-CA 3.1Å; M126-T168 WeakPolarHBondContact O-CG2 3.46Å; M126-T169 PolarHBondContact O-N 2.78Å; M126-G170 PolarHBondContact N-O 2.71Å; M126-V172 HydrophobicContact CE-CG2 4.28Å; M126-V172 HydrophobicContact CG-CB 4.38Å; M126-V172 HydrophobicContact CG-CG2 3.66Å; M126-V172 HydrophobicContact SD-CB 4.09Å; M126-V172 HydrophobicContact SD-CG2 3.62Å
127F90.2Very high82.4Confident39 Ų3975.9 Ų75.917%0.17140%0.395CS..EExtended strand (participates in β ladder)trans-136.9148.7-174.758.7-97.4000112.8Y108 F110 V155 V166 V167Y108-F127 PolarHBondContact N-O 3.45Å; Y108-F127 WeakPolarHBondContact O-CD1 3.38Å; Y108-F127 WeakPolarHBondContact O-CG 3.29Å; Y108-F127 PolarHBondContact O-N 2.95Å; F110-F127 HydrophobicContact CD1-CE1 4.46Å; F110-F127 HydrophobicContact CD1-CZ 4.43Å; F127-V155 HydrophobicContact CE1-CG1 4.13Å; F127-V155 HydrophobicContact CE2-CG1 3.52Å; F127-V155 HydrophobicContact CZ-CG1 3.12Å; F127-V166 HydrophobicContact CB-CB 4.06Å; F127-V166 HydrophobicContact CB-CG2 4.24Å; F127-V166 HydrophobicContact CD2-CB 3.87Å; F127-V166 HydrophobicContact CD2-CG1 3.68Å; F127-V166 HydrophobicContact CD2-CG2 4.25Å; F127-V166 HydrophobicContact CE2-CG1 4.11Å; F127-V166 HydrophobicContact CG-CB 4.25Å; F127-V166 HydrophobicContact CG-CG2 4.34Å; F127-V167 CarbonylContact C-O 3.56Å; F127-V167 VanDerWaalsContact CA-O 3.23Å; F127-V167 WeakPolarHBondContact CA-O 3.26Å
128V86.7Confident81.1Confident33 Ų3377.7 Ų77.720%0.240%0.4CS..EExtended strand (participates in β ladder)trans-117.9140.4177.8177.70000108.6R106 K130 V166 V167 T169R106-V128 WeakPolarHBondContact O-CG2 3.42Å; V128-K130 PolarHBondContact O-N 2.82Å; V128-V166 CarbonylContact O-C 3.55Å; V128-V166 VanDerWaalsContact O-CA 3.31Å; V128-V166 WeakPolarHBondContact O-CA 3.27Å; V128-V167 PolarHBondContact N-O 2.89Å; V128-V167 PolarHBondContact O-N 2.87Å; V128-T169 HydrophobicContact CB-CG2 4.5Å; V128-T169 HydrophobicContact CG2-CG2 3.98Å
129P81.5Confident79.7Confident25 Ų2580.2 Ų80.216%0.16241%0.409CS..EExtended strand (participates in β ladder)trans-61.2126.9172.725.5-34.2000110.9S131 F149 R165P129-S131 PolarHBondContact O-N 3.18Å; P129-F149 HydrophobicContact CB-CZ 4.14Å; P129-F149 HydrophobicContact CG-CE2 4.1Å; P129-F149 HydrophobicContact CG-CZ 4.13Å; P129-R165 CarbonylContact C-O 3.47Å
130K77.7Confident78.2Confident130 Ų13073.9 Ų73.957%0.56539%0.389SS*.  trans-83.6107.2172.3-174.4174.4-172.6160.30108.3V128 R165 V167V128-K130 PolarHBondContact O-N 2.82Å; K130-R165 HydrophobicContact CB-CB 4.24Å; K130-R165 PolarHBondContact N-O 2.9Å; K130-V167 HydrophobicContact CB-CG2 4.08Å; K130-V167 HydrophobicContact CD-CG2 3.9Å; K130-V167 HydrophobicContact CG-CG2 4.35Å
131S66.2Low76.8Confident36 Ų3678 Ų7825%0.25240%0.404SS..  trans-67.5144.2178127.70000111.8P129 S133 N137P129-S131 PolarHBondContact O-N 3.18Å; S131-S133 PolarHBondContact O-N 2.81Å; S131-N137 WeakPolarHBondContact CB-ND2 3.28Å; S131-N137 WeakPolarHBondContact CB-OD1 3.48Å; S131-N137 PolarHBondContact O-ND2 2.88Å; S131-N137 PolarHBondContact OG-ND2 3.47Å; S131-N137 VanDerWaalsContact OG-ND2 3.08Å; S131-N137 PolarHBondContact OG-OD1 2.76Å
132S65.9Low75.2Confident123 Ų12378.8 Ų78.886%0.8641%0.405SS*.SBendtrans-66.7-23.2-171.455.70000113.5
133S68.5Low73.8Confident47 Ų4780.3 Ų80.333%0.32942%0.415SS..  trans-116.5114.1-175-66.40000111.4S131 L135 K136 N137S131-S133 PolarHBondContact O-N 2.81Å; S133-L135 VanDerWaalsContact C-N 3.28Å; S133-L135 PolarHBondContact O-N 3.17Å; S133-K136 PolarHBondContact O-N 3.19Å; S133-N137 PolarHBondContact O-N 3.08Å; S133-N137 PolarHBondContact O-ND2 2.81Å
134K62.4Low72.1Confident177 Ų17775.2 Ų75.277%0.7740%0.398SS*.Hα-helixtrans-56.6-40.4179.1-66.6-176.4-178.6176.80112.6N137 I138K134-N137 WeakPolarHBondContact O-CB 3.17Å; K134-N137 PolarHBondContact O-N 3.28Å; K134-I138 WeakPolarHBondContact O-CD1 2.88Å; K134-I138 WeakPolarHBondContact O-CG1 3.42Å; K134-I138 PolarHBondContact O-N 3.02Å
135L61.1Low70.5Confident140 Ų14084.9 Ų84.973%0.73343%0.433SS*.Hα-helixtrans-68.5-43.5-179.7-74.6145.1000112.2S133 N137 I138 V139S133-L135 VanDerWaalsContact C-N 3.28Å; S133-L135 PolarHBondContact O-N 3.17Å; L135-N137 VanDerWaalsContact C-N 3.26Å; L135-N137 PolarHBondContact O-N 2.78Å; L135-I138 PolarHBondContact O-N 3.35Å; L135-I138 VanDerWaalsContact O-N 3.16Å; L135-V139 WeakPolarHBondContact O-CG2 3.31Å; L135-V139 PolarHBondContact O-N 2.98Å
136K60.2Low69.1Low160 Ų16085.7 Ų85.770%0.69642%0.424SS*.Hα-helixtrans-63.5-34.8174.6-66.3-171.8176.2-177.30111.5S133 G140S133-K136 PolarHBondContact O-N 3.19Å; K136-G140 PolarHBondContact O-N 3.12Å
137N63.8Low67.4Low51 Ų5189 Ų8927%0.27345%0.446SS..Hα-helixtrans-65.7-43.2171.5-76-27.4000113S131 S133 K134 L135 V139 G140 W141S131-N137 WeakPolarHBondContact CB-ND2 3.28Å; S131-N137 WeakPolarHBondContact CB-OD1 3.48Å; S131-N137 PolarHBondContact O-ND2 2.88Å; S131-N137 PolarHBondContact OG-ND2 3.47Å; S131-N137 VanDerWaalsContact OG-ND2 3.08Å; S131-N137 PolarHBondContact OG-OD1 2.76Å; S133-N137 PolarHBondContact O-N 3.08Å; S133-N137 PolarHBondContact O-ND2 2.81Å; K134-N137 WeakPolarHBondContact O-CB 3.17Å; K134-N137 PolarHBondContact O-N 3.28Å; L135-N137 VanDerWaalsContact C-N 3.26Å; L135-N137 PolarHBondContact O-N 2.78Å; N137-V139 VanDerWaalsContact C-N 3.35Å; N137-G140 PolarHBondContact O-N 2.77Å; N137-W141 WeakPolarHBondContact O-CA 3.19Å; N137-W141 WeakPolarHBondContact O-CB 3.49Å; N137-W141 PolarHBondContact O-N 2.96Å
138I64Low66.3Low97 Ų9792 Ų9250%0.49746%0.46SS..Hα-helixtrans-64.5-43.9179.9-69.1159.2000110.1K134 L135 W141 L142K134-I138 WeakPolarHBondContact O-CD1 2.88Å; K134-I138 WeakPolarHBondContact O-CG1 3.42Å; K134-I138 PolarHBondContact O-N 3.02Å; L135-I138 PolarHBondContact O-N 3.35Å; L135-I138 VanDerWaalsContact O-N 3.16Å; I138-W141 PolarHBondContact O-N 2.83Å; I138-L142 WeakPolarHBondContact O-CB 3.23Å; I138-L142 PolarHBondContact O-N 2.94Å
139V64.4Low65.1Low82 Ų8292.1 Ų92.150%0.49746%0.458SS..Hα-helixtrans-63.6-49.5176.9174.40000110.6L135 N137 W141 L142 F143L135-V139 WeakPolarHBondContact O-CG2 3.31Å; L135-V139 PolarHBondContact O-N 2.98Å; N137-V139 VanDerWaalsContact C-N 3.35Å; V139-W141 VanDerWaalsContact C-N 3.33Å; V139-W141 PolarHBondContact O-N 2.88Å; V139-L142 PolarHBondContact O-N 2.76Å; V139-F143 HydrophobicContact CG1-CD2 3.6Å; V139-F143 HydrophobicContact CG1-CE2 3.85Å; V139-F143 WeakPolarHBondContact O-CB 3.23Å; V139-F143 WeakPolarHBondContact O-CD2 3.41Å; V139-F143 PolarHBondContact O-N 2.8Å
140G63.9Low64.2Low12 Ų1297.8 Ų97.812%0.12449%0.492CS..Hα-helixtrans-64.6-35.9177.900000113.6K136 N137 G144 R145K136-G140 PolarHBondContact O-N 3.12Å; N137-G140 PolarHBondContact O-N 2.77Å; G140-G144 CarbonylContact O-C 3.58Å; G140-G144 PolarHBondContact O-N 2.89Å; G140-G144 VanDerWaalsContact O-N 3.13Å; G140-R145 CarbonylContact C-O 3.49Å; G140-R145 VanDerWaalsContact CA-O 3.23Å; G140-R145 WeakPolarHBondContact CA-O 3.04Å; G140-R145 CarbonylContact O-C 3.54Å; G140-R145 PolarHBondContact O-N 2.82Å
141W66.4Low63.6Low108 Ų10896.5 Ų96.541%0.40949%0.491SS..Hα-helixtrans-67-38.8174.1177.888.8000112W99 N137 I138 V139W99-W141 HydrophobicContact CE3-CZ2 4.45Å; W99-W141 HydrophobicContact CH2-CZ2 4.15Å; W99-W141 AromaticContact CZ3-CH2 3.87Å; W99-W141 HydrophobicContact CZ3-CH2 3.87Å; W99-W141 AromaticContact CZ3-CZ2 3.6Å; W99-W141 HydrophobicContact CZ3-CZ2 3.6Å; N137-W141 WeakPolarHBondContact O-CA 3.19Å; N137-W141 WeakPolarHBondContact O-CB 3.49Å; N137-W141 PolarHBondContact O-N 2.96Å; I138-W141 PolarHBondContact O-N 2.83Å; V139-W141 VanDerWaalsContact C-N 3.33Å; V139-W141 PolarHBondContact O-N 2.88Å
142L63.9Low63.8Low86 Ų8695.5 Ų95.545%0.4548%0.484SS..Hα-helixtrans-75.8-35.8-180-171.468000112.7W100 I138 V139W100-L142 HydrophobicContact CH2-CD1 4.1Å; W100-L142 HydrophobicContact CZ2-CD1 4.5Å; I138-L142 WeakPolarHBondContact O-CB 3.23Å; I138-L142 PolarHBondContact O-N 2.94Å; V139-L142 PolarHBondContact O-N 2.76Å
143F64.8Low63.8Low148 Ų14890.9 Ų90.965%0.64945%0.451SS*.THydrogen-bonded Turntrans-95.312.3179.3-68.3-69.3000113.5V139 R145V139-F143 HydrophobicContact CG1-CD2 3.6Å; V139-F143 HydrophobicContact CG1-CE2 3.85Å; V139-F143 WeakPolarHBondContact O-CB 3.23Å; V139-F143 WeakPolarHBondContact O-CD2 3.41Å; V139-F143 PolarHBondContact O-N 2.8Å; F143-R145 PolarHBondContact O-N 3.5Å
144G60.7Low63.9Low18 Ų1892.3 Ų92.319%0.18645%0.452CS..SBendtrans68.7-6.1178.800000115.6G140 R146G140-G144 CarbonylContact O-C 3.58Å; G140-G144 PolarHBondContact O-N 2.89Å; G140-G144 VanDerWaalsContact O-N 3.13Å; G144-R146 PolarHBondContact O-N 2.95Å; G144-R146 VanDerWaalsContact O-N 3.08Å
145R62.4Low64.2Low212 Ų21284.3 Ų84.380%0.842%0.418SS*.  trans-84.377.2176.7-65.5-172.5179.3-175.2-0.8110.5G140 F143G140-R145 CarbonylContact C-O 3.49Å; G140-R145 VanDerWaalsContact CA-O 3.23Å; G140-R145 WeakPolarHBondContact CA-O 3.04Å; G140-R145 CarbonylContact O-C 3.54Å; G140-R145 PolarHBondContact O-N 2.82Å; F143-R145 PolarHBondContact O-N 3.5Å
146R62.6Low64.6Low76 Ų7677.7 Ų77.729%0.28738%0.383SS..  trans-76.9146.5169.1-70.1-162.7-173.760.9-8.6110.2V104 G144 E148V104-R146 HydrophobicContact CG1-CB 4.38Å; V104-R146 VanDerWaalsContact CG1-CD 3.45Å; V104-R146 HydrophobicContact CG1-CG 4.14Å; G144-R146 PolarHBondContact O-N 2.95Å; G144-R146 VanDerWaalsContact O-N 3.08Å; R146-E148 PolarHBondContact O-N 2.87Å
147P59.1Low65.2Low70 Ų7074.4 Ų74.446%0.45537%0.37SS..  trans-66.8121.5174.927.2-32.6000109.6
148E65.6Low65.3Low100 Ų10075.3 Ų75.347%0.46738%0.381SS..  trans-106.1148.1173.2-59.9-169.3154.800109.2I105 R146 V150I105-E148 HydrophobicContact CG2-CG 4.08Å; R146-E148 PolarHBondContact O-N 2.87Å; E148-V150 PolarHBondContact O-N 3.17Å
149F63.2Low65.3Low36 Ų3677.4 Ų77.416%0.15839%0.393CS..  trans-68.1133.2167.8-71.9-65.6000108.5Y108 P129 D151 F154 V155 T164Y108-F149 HydrophobicContact CD1-CD2 4.3Å; Y108-F149 AromaticContact CD2-CD2 3.48Å; Y108-F149 HydrophobicContact CD2-CD2 3.48Å; Y108-F149 VanDerWaalsContact CD2-CD2 3.48Å; Y108-F149 AromaticContact CD2-CE2 3.67Å; Y108-F149 HydrophobicContact CD2-CE2 3.67Å; Y108-F149 HydrophobicContact CE1-CD2 4.18Å; Y108-F149 AromaticContact CE2-CD2 3.29Å; Y108-F149 HydrophobicContact CE2-CD2 3.29Å; Y108-F149 AromaticContact CE2-CE2 3.84Å; Y108-F149 HydrophobicContact CE2-CE2 3.84Å; Y108-F149 HydrophobicContact CE2-CG 4.29Å; Y108-F149 AromaticContact CG-CD2 3.97Å; Y108-F149 HydrophobicContact CG-CD2 3.97Å; Y108-F149 HydrophobicContact CG-CE2 4.29Å; Y108-F149 AromaticContact CZ-CD2 3.68Å; Y108-F149 PolarHBondContact OH-N 3.01Å; Y108-F149 VanDerWaalsContact OH-N 3.12Å; P129-F149 HydrophobicContact CB-CZ 4.14Å; P129-F149 HydrophobicContact CG-CE2 4.1Å; P129-F149 HydrophobicContact CG-CZ 4.13Å; F149-D151 PolarHBondContact O-N 2.98Å; F149-F154 AromaticContact CD1-CD1 3.93Å; F149-F154 HydrophobicContact CD1-CD1 3.93Å; F149-F154 HydrophobicContact CD1-CE1 4.5Å; F149-F154 HydrophobicContact CE1-CD1 4.06Å; F149-F154 HydrophobicContact CE1-CE1 4.34Å; F149-V155 HydrophobicContact CD2-CG2 3.6Å; F149-V155 HydrophobicContact CE2-CG2 3.68Å; F149-V155 HydrophobicContact CG-CG2 4.32Å; F149-V155 HydrophobicContact CZ-CG2 4.43Å; F149-T164 HydrophobicContact CE1-CG2 4.24Å; F149-T164 HydrophobicContact CZ-CG2 4.41Å
150V62.6Low65.1Low144 Ų14473.9 Ų73.987%0.87337%0.372SS*.SBendtrans-53.8-43174.7179.80000109.9E148E148-V150 PolarHBondContact O-N 3.17Å
151D64.4Low65.2Low103 Ų10379.2 Ų79.255%0.55139%0.388SS*.  trans-122.2122.8173-68.5-40.9000111.1F149 C153 F154F149-D151 PolarHBondContact O-N 2.98Å; D151-C153 PolarHBondContact O-N 3.44Å; D151-F154 HydrophobicContact CB-CB 4.41Å; D151-F154 WeakPolarHBondContact O-CB 3.34Å; D151-F154 PolarHBondContact O-N 2.63Å; D151-F154 VanDerWaalsContact O-N 3.07Å
152P69.1Low65Low16 Ų1681 Ų8110%0.10441%0.406CS..G310 helixtrans-60.8-30.6174.424.9-32.9000111.4T91 A93 Y108 F154 V155T91-P152 HydrophobicContact CG2-CB 4.5Å; T91-P152 WeakPolarHBondContact CG2-O 3.44Å; A93-P152 HydrophobicContact CB-CB 4.26Å; Y108-P152 HydrophobicContact CD1-CB 4.28Å; Y108-P152 HydrophobicContact CE1-CB 4.07Å; P152-F154 PolarHBondContact O-N 3.08Å; P152-V155 VanDerWaalsContact O-CB 3.29Å; P152-V155 WeakPolarHBondContact O-CB 3.41Å; P152-V155 WeakPolarHBondContact O-CG2 3.41Å; P152-V155 PolarHBondContact O-N 3.42Å
153C67.6Low65Low26 Ų2682.2 Ų82.218%0.17641%0.412CS..G310 helixtrans-64.7-20.5176.9-73.70000114.4C35 A37 D151 V155 A156 Q157C35-C153 PolarHBondContact SG-SG 2.93Å; A37-C153 HydrophobicContact CB-CB 4.41Å; D151-C153 PolarHBondContact O-N 3.44Å; C153-V155 PolarHBondContact O-N 2.61Å; C153-V155 VanDerWaalsContact O-N 3.12Å; C153-A156 WeakPolarHBondContact O-CB 3.2Å; C153-A156 PolarHBondContact O-N 3.31Å; C153-Q157 PolarHBondContact O-N 2.76Å
154F69.3Low65.3Low77 Ų7777.8 Ų77.834%0.33840%0.397SS..G310 helixtrans-56-29.5174.2-173.6-109.8000111.9F149 D151 P152 A156 Q157 S160F149-F154 AromaticContact CD1-CD1 3.93Å; F149-F154 HydrophobicContact CD1-CD1 3.93Å; F149-F154 HydrophobicContact CD1-CE1 4.5Å; F149-F154 HydrophobicContact CE1-CD1 4.06Å; F149-F154 HydrophobicContact CE1-CE1 4.34Å; D151-F154 HydrophobicContact CB-CB 4.41Å; D151-F154 WeakPolarHBondContact O-CB 3.34Å; D151-F154 PolarHBondContact O-N 2.63Å; D151-F154 VanDerWaalsContact O-N 3.07Å; P152-F154 PolarHBondContact O-N 3.08Å; F154-A156 VanDerWaalsContact C-N 3.3Å; F154-A156 PolarHBondContact O-N 3.32Å; F154-Q157 PolarHBondContact O-N 2.9Å; F154-S160 PolarHBondContact O-OG 3.45Å
155V69Low66.1Low9 Ų982.8 Ų82.86%0.05541%0.411CS..G310 helixtrans-67.9-30.8178.4-177.40000112.3T91 Y108 F110 F127 F149 P152 C153T91-V155 HydrophobicContact CG2-CB 4.42Å; Y108-V155 HydrophobicContact CD1-CG2 4.26Å; Y108-V155 HydrophobicContact CG-CG2 4.04Å; F110-V155 HydrophobicContact CD1-CG1 4.08Å; F127-V155 HydrophobicContact CE1-CG1 4.13Å; F127-V155 HydrophobicContact CE2-CG1 3.52Å; F127-V155 HydrophobicContact CZ-CG1 3.12Å; F149-V155 HydrophobicContact CD2-CG2 3.6Å; F149-V155 HydrophobicContact CE2-CG2 3.68Å; F149-V155 HydrophobicContact CG-CG2 4.32Å; F149-V155 HydrophobicContact CZ-CG2 4.43Å; P152-V155 VanDerWaalsContact O-CB 3.29Å; P152-V155 WeakPolarHBondContact O-CB 3.41Å; P152-V155 WeakPolarHBondContact O-CG2 3.41Å; P152-V155 PolarHBondContact O-N 3.42Å; C153-V155 PolarHBondContact O-N 2.61Å; C153-V155 VanDerWaalsContact O-N 3.12Å
156A68.9Low67.2Low0 Ų075.9 Ų75.90%039%0.392CS..THydrogen-bonded Turntrans-76.8-31.4177.400000112A37 R89 T91 F110 C153 F154 R161A37-A156 HydrophobicContact CB-CB 3.98Å; R89-A156 HydrophobicContact CB-CB 4.17Å; R89-A156 VanDerWaalsContact CZ-O 3.28Å; R89-A156 PolarHBondContact NH1-O 3.34Å; T91-A156 WeakPolarHBondContact OG1-CB 3.26Å; F110-A156 HydrophobicContact CB-CB 4.28Å; F110-A156 HydrophobicContact CG-CB 4.5Å; C153-A156 WeakPolarHBondContact O-CB 3.2Å; C153-A156 PolarHBondContact O-N 3.31Å; F154-A156 VanDerWaalsContact C-N 3.3Å; F154-A156 PolarHBondContact O-N 3.32Å; A156-R161 PolarHBondContact O-NH2 2.98Å
157Q74.7Confident68.3Low91 Ų9175.4 Ų75.443%0.42540%0.397SS..SBendtrans-60.1152.4-176.4-66.7178.5-13.600112.3C153 F154 S160 R161C153-Q157 PolarHBondContact O-N 2.76Å; F154-Q157 PolarHBondContact O-N 2.9Å; Q157-S160 PolarHBondContact O-OG 2.76Å; Q157-R161 PolarHBondContact O-NE 3.23Å
158S65.5Low69.8Low71 Ų7176.8 Ų76.850%0.49740%0.404SS..SBendtrans-74.6-37.7-179.342.30000112.2S160S158-S160 VanDerWaalsContact C-N 3.29Å; S158-S160 PolarHBondContact O-N 3.42Å
159D64.4Low70.9Confident141 Ų14174.7 Ų74.775%0.75440%0.399SS*.G310 helixtrans-75.7-24-162.1-62.90.7000112.4
160S60.1Low72.3Confident8 Ų873.5 Ų73.56%0.05640%0.396CS..G310 helixtrans-80.8-18.8-17654.90000114.7F154 Q157 S158 N162 L163F154-S160 PolarHBondContact O-OG 3.45Å; Q157-S160 PolarHBondContact O-OG 2.76Å; S158-S160 VanDerWaalsContact C-N 3.29Å; S158-S160 PolarHBondContact O-N 3.42Å; S160-N162 PolarHBondContact O-N 3.13Å; S160-N162 VanDerWaalsContact O-N 3.12Å; S160-L163 PolarHBondContact O-N 3.46Å
161R64.2Low73.8Confident124 Ų12467.4 Ų67.447%0.46836%0.36SS..G310 helixtrans-65.3-23.9-167.3-62-178.6-167-178.61.3114A156 Q157 L163A156-R161 PolarHBondContact O-NH2 2.98Å; Q157-R161 PolarHBondContact O-NE 3.23Å; R161-L163 VanDerWaalsContact C-N 3.34Å
162N62.8Low75.3Confident145 Ų14562.5 Ų62.578%0.77533%0.334SS*.G310 helixtrans-82.1-12.8-176.7-66.3-30.5000113.5S160S160-N162 PolarHBondContact O-N 3.13Å; S160-N162 VanDerWaalsContact O-N 3.12Å
163L64.1Low76.6Confident112 Ų11262.7 Ų62.759%0.58633%0.334SS*.THydrogen-bonded Turntrans-100.7-18.2-165.1-125.169.3000114.8S160 R161 V264S160-L163 PolarHBondContact O-N 3.46Å; R161-L163 VanDerWaalsContact C-N 3.34Å; L163-V264 HydrophobicContact CD1-CG2 3.71Å; L163-V264 HydrophobicContact CD2-CG2 4.08Å; L163-V264 HydrophobicContact CG-CG2 3.6Å
164T70.6Confident78Confident54 Ų5461.4 Ų61.433%0.33133%0.326SS..  trans-122.7123.5-171.957.40000111.9F149F149-T164 HydrophobicContact CE1-CG2 4.24Å; F149-T164 HydrophobicContact CZ-CG2 4.41Å
165R78.8Confident79.4Confident124 Ų12458 Ų5847%0.46831%0.311SS..  trans-70.8133.8163.5-66.2-176.1-176.7-178.33.9108.3P129 K130 V261P129-R165 CarbonylContact C-O 3.47Å; K130-R165 HydrophobicContact CB-CB 4.24Å; K130-R165 PolarHBondContact N-O 2.9Å; R165-V261 VanDerWaalsContact NH2-CG2 3.27Å
166V84.6Confident80.7Confident66 Ų6657.6 Ų57.640%0.431%0.309SS..EExtended strand (participates in β ladder)trans-124.5154.7-179.1-600000110.8F127 V128F127-V166 HydrophobicContact CB-CB 4.06Å; F127-V166 HydrophobicContact CB-CG2 4.24Å; F127-V166 HydrophobicContact CD2-CB 3.87Å; F127-V166 HydrophobicContact CD2-CG1 3.68Å; F127-V166 HydrophobicContact CD2-CG2 4.25Å; F127-V166 HydrophobicContact CE2-CG1 4.11Å; F127-V166 HydrophobicContact CG-CB 4.25Å; F127-V166 HydrophobicContact CG-CG2 4.34Å; V128-V166 CarbonylContact O-C 3.55Å; V128-V166 VanDerWaalsContact O-CA 3.31Å; V128-V166 WeakPolarHBondContact O-CA 3.27Å
167V86.5Confident82Confident67 Ų6761 Ų6141%0.40633%0.325SS..EExtended strand (participates in β ladder)trans-124.5130.8172.8173.10000107.9F127 V128 K130F127-V167 CarbonylContact C-O 3.56Å; F127-V167 VanDerWaalsContact CA-O 3.23Å; F127-V167 WeakPolarHBondContact CA-O 3.26Å; V128-V167 PolarHBondContact N-O 2.89Å; V128-V167 PolarHBondContact O-N 2.87Å; K130-V167 HydrophobicContact CB-CG2 4.08Å; K130-V167 HydrophobicContact CD-CG2 3.9Å; K130-V167 HydrophobicContact CG-CG2 4.35Å
168T89.7Confident83Confident98 Ų9856.7 Ų56.760%0.60131%0.305SS*.EExtended strand (participates in β ladder)trans-72.6127.8174.7-50.50000110A125 M126A125-T168 HydrophobicContact CB-CG2 4.22Å; M126-T168 CarbonylContact O-C 3.52Å; M126-T168 VanDerWaalsContact O-CA 3.27Å; M126-T168 WeakPolarHBondContact O-CA 3.1Å; M126-T168 WeakPolarHBondContact O-CG2 3.46Å
169T88.9Confident84.3Confident57 Ų5758.2 Ų58.235%0.3531%0.306SS..EExtended strand (participates in β ladder)trans-115.1-19.9-177.136.90000113.5R106 M126 V128R106-T169 WeakPolarHBondContact O-CB 3.2Å; R106-T169 PolarHBondContact O-OG1 2.97Å; M126-T169 PolarHBondContact O-N 2.78Å; V128-T169 HydrophobicContact CB-CG2 4.5Å; V128-T169 HydrophobicContact CG2-CG2 3.98Å
170G91.9Very high85.7Confident10 Ų1053 Ų5310%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-175.4-164.9-177.400000112.7E23 M126E23-G170 CarbonylContact O-C 3.54Å; E23-G170 WeakPolarHBondContact O-CA 2.98Å; M126-G170 PolarHBondContact N-O 2.71Å
171S94.9Very high87.2Confident17 Ų1759.7 Ų59.712%0.11931%0.311CS..EExtended strand (participates in β ladder)trans-147.6149.9177.165.60000112.7A22 E23 K123 V124A22-S171 CarbonylContact C-O 3.57Å; E23-S171 PolarHBondContact N-O 2.86Å; E23-S171 PolarHBondContact O-N 3.34Å; E23-S171 PolarHBondContact OE2-OG 2.91Å; K123-S171 WeakPolarHBondContact CE-OG 3.18Å; V124-S171 CarbonylContact O-C 3.47Å; V124-S171 WeakPolarHBondContact O-CA 3.43Å
172V95.9Very high88.4Confident0 Ų054.7 Ų54.70%030%0.298CS..EExtended strand (participates in β ladder)trans-123.7130.9178.4175.60000109.1I19 A22 F24 I92 V124 M126 I174I19-V172 HydrophobicContact CG2-CG1 3.5Å; I19-V172 VanDerWaalsContact CG2-CG1 3.5Å; A22-V172 HydrophobicContact CB-CG2 3.91Å; F24-V172 HydrophobicContact CE2-CG2 4.31Å; F24-V172 HydrophobicContact CZ-CG2 4.47Å; I92-V172 HydrophobicContact CD1-CG1 4.33Å; V124-V172 PolarHBondContact N-O 3.5Å; V124-V172 PolarHBondContact O-N 3.18Å; M126-V172 HydrophobicContact CE-CG2 4.28Å; M126-V172 HydrophobicContact CG-CB 4.38Å; M126-V172 HydrophobicContact CG-CG2 3.66Å; M126-V172 HydrophobicContact SD-CB 4.09Å; M126-V172 HydrophobicContact SD-CG2 3.62Å; V172-I174 HydrophobicContact CG1-CG1 4.05Å
173T96.8Very high89.5Confident19 Ų1948.5 Ų48.512%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-99.1124.7177.5-59.50000109.7E20 S21 T121E20-T173 PolarHBondContact N-O 2.85Å; S21-T173 PolarHBondContact N-O 2.84Å; S21-T173 PolarHBondContact O-N 3.08Å; T121-T173 HydrophobicContact CG2-CG2 3.81Å
174I97Very high90.6Very high0 Ų052 Ų520%028%0.275CS..EExtended strand (participates in β ladder)trans-125.4134.4-176.4-47.6155.1000107.9I75 L90 I92 T111 T121 R122 V124 V172 M176I75-I174 HydrophobicContact CD1-CG2 3.87Å; L90-I174 HydrophobicContact CD2-CD1 4.11Å; L90-I174 HydrophobicContact CD2-CG2 4.11Å; I92-I174 HydrophobicContact CD1-CD1 3.15Å; I92-I174 HydrophobicContact CD1-CG1 3.8Å; T111-I174 HydrophobicContact CG2-CD1 3.9Å; T121-I174 CarbonylContact C-O 3.4Å; T121-I174 WeakPolarHBondContact CA-O 3.27Å; R122-I174 PolarHBondContact N-O 2.79Å; R122-I174 PolarHBondContact O-N 3.38Å; V124-I174 HydrophobicContact CB-CD1 4.35Å; V124-I174 HydrophobicContact CG2-CD1 3.46Å; V124-I174 VanDerWaalsContact CG2-CD1 3.46Å; V124-I174 HydrophobicContact CG2-CG1 4.48Å; V172-I174 HydrophobicContact CG1-CG1 4.05Å; I174-M176 HydrophobicContact CG2-CE 4.48Å; I174-M176 HydrophobicContact CG2-CG 3.96Å
175T97.2Very high91.3Very high5 Ų556.9 Ų56.93%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-110.7122.3169.7-760000109G17 Q18 E20 R119 H120 T121G17-T175 CarbonylContact C-O 3.54Å; G17-T175 WeakPolarHBondContact CA-O 3.42Å; Q18-T175 PolarHBondContact N-O 2.81Å; Q18-T175 PolarHBondContact O-N 2.84Å; E20-T175 WeakPolarHBondContact OE1-CB 3.38Å; E20-T175 PolarHBondContact OE1-OG1 2.91Å; E20-T175 PolarHBondContact OE2-OG1 2.87Å; R119-T175 HydrophobicContact CG-CG2 4.04Å; H120-T175 WeakPolarHBondContact O-CA 3.1Å; T121-T175 PolarHBondContact OG1-OG1 2.84Å
176M96.4Very high91.6Very high0 Ų054 Ų540%029%0.285CS..EExtended strand (participates in β ladder)trans-118.7138.4177.7-65.5170.6-78.600110.1S16 L90 T111 P114 H120 R122 I174 I178S16-M176 CarbonylContact O-C 3.59Å; L90-M176 HydrophobicContact CD2-SD 4.36Å; T111-M176 HydrophobicContact CG2-CE 3.92Å; T111-M176 HydrophobicContact CG2-SD 4.49Å; P114-M176 HydrophobicContact CG-CE 4.18Å; H120-M176 PolarHBondContact N-O 3.23Å; H120-M176 PolarHBondContact O-N 3.5Å; R122-M176 HydrophobicContact CB-CE 4.23Å; R122-M176 HydrophobicContact CG-CE 3.88Å; I174-M176 HydrophobicContact CG2-CE 4.48Å; I174-M176 HydrophobicContact CG2-CG 3.96Å; M176-I178 HydrophobicContact CB-CD1 4.2Å
177Q96.2Very high91.6Very high71 Ų7154.1 Ų54.133%0.33230%0.301SS..EExtended strand (participates in β ladder)trans-114.3116.5175.2-67.9-75.623.900107.7S16 G118 R119S16-Q177 PolarHBondContact N-O 2.82Å; S16-Q177 WeakPolarHBondContact O-CA 3.22Å; S16-Q177 WeakPolarHBondContact O-CB 3.07Å; S16-Q177 PolarHBondContact O-N 2.93Å; G118-Q177 VanDerWaalsContact C-OE1 3.29Å; G118-Q177 PolarHBondContact O-OE1 2.8Å; R119-Q177 HydrophobicContact CG-CG 4.48Å
178I95.6Very high91.6Very high2 Ų255.2 Ų55.21%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-109.1128.1-173.5-53.4-54.9000110L13 L14 V15 V113 P114 P117 G118 M176L13-I178 HydrophobicContact CD1-CG2 3.54Å; L14-I178 WeakPolarHBondContact O-CA 3.29Å; V15-I178 HydrophobicContact CB-CD1 4.23Å; V15-I178 HydrophobicContact CG1-CD1 3.87Å; V15-I178 HydrophobicContact CG2-CD1 4.01Å; V113-I178 HydrophobicContact CG1-CD1 3.62Å; V113-I178 HydrophobicContact CG1-CG1 4.49Å; P114-I178 HydrophobicContact CB-CG1 3.97Å; P114-I178 HydrophobicContact CG-CG1 4.04Å; P117-I178 CarbonylContact C-O 3.53Å; P117-I178 WeakPolarHBondContact CA-O 3.43Å; P117-I178 WeakPolarHBondContact CB-O 3.17Å; G118-I178 PolarHBondContact N-O 2.93Å; G118-I178 PolarHBondContact O-N 2.73Å; M176-I178 HydrophobicContact CB-CD1 4.2Å
179I94.4Very high91.3Very high102 Ų10255.4 Ų55.452%0.52330%0.295SS..EExtended strand (participates in β ladder)trans-124.4116.8171.8-64.1163000107.9L14L14-I179 HydrophobicContact CB-CB 4.17Å; L14-I179 HydrophobicContact CD2-CB 4.41Å; L14-I179 HydrophobicContact CD2-CD1 3.97Å; L14-I179 PolarHBondContact N-O 3.32Å; L14-I179 PolarHBondContact O-N 2.91Å
180A92.6Very high90.5Very high31 Ų3153.7 Ų53.726%0.25629%0.287SS..EExtended strand (participates in β ladder)trans-106.4129.3176.500000110.2L12 L13 L183L12-A180 WeakPolarHBondContact O-CA 3.34Å; L13-A180 HydrophobicContact CD1-CB 4.25Å; A180-L183 HydrophobicContact CB-CD2 4.17Å
181K91.7Very high89.4Confident149 Ų14955.3 Ų55.365%0.64830%0.296SS*.EExtended strand (participates in β ladder)trans-123.5129.8178.3179.9179.8175.3-177.90110.2F11 L12 L183F11-K181 CarbonylContact C-O 3.59Å; F11-K181 WeakPolarHBondContact CA-O 2.97Å; F11-K181 WeakPolarHBondContact CB-O 3.47Å; L12-K181 HydrophobicContact CB-CB 4.36Å; L12-K181 HydrophobicContact CD1-CD 4.47Å; L12-K181 PolarHBondContact N-O 3.03Å; L12-K181 PolarHBondContact O-N 3.5Å; K181-L183 VanDerWaalsContact C-N 3.31Å; K181-L183 PolarHBondContact O-N 2.6Å
182G89Confident87.9Confident20 Ų2062.1 Ų62.121%0.20632%0.324CS..SBendtrans86.1-8.2176.800000115.3K184 K185 L186G182-K184 PolarHBondContact O-N 2.72Å; G182-K185 WeakPolarHBondContact O-CB 3.27Å; G182-K185 PolarHBondContact O-N 3.06Å; G182-L186 PolarHBondContact O-N 2.83Å
183L87.7Confident86Confident15 Ų1568.9 Ų68.98%0.07936%0.355CS..G310 helixtrans-58.4-44.3-177.9-165.559.2000112.7F11 A180 K181 K185 L186 Y188 A190F11-L183 HydrophobicContact CB-CB 4.48Å; F11-L183 HydrophobicContact CB-CD1 4.46Å; F11-L183 HydrophobicContact CD1-CD1 4.18Å; F11-L183 HydrophobicContact CD2-CD1 3.82Å; F11-L183 HydrophobicContact CE1-CD1 4.37Å; F11-L183 HydrophobicContact CE2-CD1 4.04Å; F11-L183 HydrophobicContact CG-CD1 3.89Å; F11-L183 HydrophobicContact CZ-CD1 4.3Å; A180-L183 HydrophobicContact CB-CD2 4.17Å; K181-L183 VanDerWaalsContact C-N 3.31Å; K181-L183 PolarHBondContact O-N 2.6Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 2.81Å; L183-L186 PolarHBondContact O-N 2.83Å; L183-Y188 CarbonylContact C-O 3.54Å; L183-Y188 HydrophobicContact CD1-CD2 3.73Å; L183-Y188 HydrophobicContact CD1-CG 3.95Å; L183-Y188 PolarHBondContact O-N 3.16Å; L183-A190 HydrophobicContact CD2-CB 3.73Å
184K85.4Confident83.7Confident184 Ų18471.8 Ų71.880%0.837%0.373SS*.G310 helixtrans-63-28.6175.4-171.8172.1-177.81740113.9G182 L186 G187 Y188G182-K184 PolarHBondContact O-N 2.72Å; K184-L186 VanDerWaalsContact C-N 3.28Å; K184-L186 PolarHBondContact O-N 3.35Å; K184-G187 PolarHBondContact O-N 2.98Å; K184-Y188 WeakPolarHBondContact CA-O 3.19Å; K184-Y188 PolarHBondContact N-O 2.9Å
185K85.1Confident81.3Confident158 Ų15879.5 Ų79.569%0.68741%0.414SS*.G310 helixtrans-72.6-25.1179.9-64.6-177175.3-173.20112.2P8 G182 L183 G187P8-K185 HydrophobicContact CG-CB 4.19Å; P8-K185 HydrophobicContact CG-CD 3.33Å; P8-K185 HydrophobicContact CG-CG 4.42Å; G182-K185 WeakPolarHBondContact O-CB 3.27Å; G182-K185 PolarHBondContact O-N 3.06Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 2.81Å; K185-G187 VanDerWaalsContact C-N 3.31Å
186L85.4Confident78.7Confident62 Ų6282.9 Ų82.933%0.32544%0.436SS..G310 helixtrans-89.75.2173.9-64.4170.4000112.7F11 G182 L183 K184 Y188F11-L186 HydrophobicContact CB-CD1 4.02Å; F11-L186 HydrophobicContact CD1-CD1 3.48Å; F11-L186 VanDerWaalsContact CD1-CD1 3.48Å; F11-L186 HydrophobicContact CE1-CD1 4.44Å; F11-L186 HydrophobicContact CG-CD1 4.21Å; G182-L186 PolarHBondContact O-N 2.83Å; L183-L186 PolarHBondContact O-N 2.83Å; K184-L186 VanDerWaalsContact C-N 3.28Å; K184-L186 PolarHBondContact O-N 3.35Å; L186-Y188 HydrophobicContact CB-CD2 3.75Å; L186-Y188 HydrophobicContact CB-CE2 3.84Å
187G84.4Confident76.4Confident70 Ų7086.7 Ų86.772%0.72246%0.455SS*.THydrogen-bonded Turntrans86.75.7178.500000115.2K184 K185K184-G187 PolarHBondContact O-N 2.98Å; K185-G187 VanDerWaalsContact C-N 3.31Å
188Y86.7Confident74Confident89 Ų8990.6 Ų90.635%0.34948%0.477SS..  trans-89.2131.5176.4-59.4-66000111.3P84 L183 K184 L186P84-Y188 VanDerWaalsContact CD-OH 3.23Å; P84-Y188 WeakPolarHBondContact CD-OH 3.29Å; P84-Y188 HydrophobicContact CG-CD1 4.09Å; P84-Y188 HydrophobicContact CG-CE1 3.58Å; P84-Y188 HydrophobicContact CG-CE2 4.16Å; L183-Y188 CarbonylContact C-O 3.54Å; L183-Y188 HydrophobicContact CD1-CD2 3.73Å; L183-Y188 HydrophobicContact CD1-CG 3.95Å; L183-Y188 PolarHBondContact O-N 3.16Å; K184-Y188 WeakPolarHBondContact CA-O 3.19Å; K184-Y188 PolarHBondContact N-O 2.9Å; L186-Y188 HydrophobicContact CB-CD2 3.75Å; L186-Y188 HydrophobicContact CB-CE2 3.84Å
189D83.2Confident72.1Confident102 Ų10293.5 Ų93.555%0.54550%0.498SS..  trans-98.6135.7173.7-165.23.5000110.6C191D189-C191 VanDerWaalsContact CG-SG 3.58Å; D189-C191 PolarHBondContact OD1-N 3.39Å; D189-C191 PolarHBondContact OD1-SG 3.35Å; D189-C191 PolarHBondContact OD2-SG 3Å
190A73.8Confident70.2Confident21 Ų2196.3 Ų96.317%0.17451%0.509CS..  trans-123.317-177.300000112.6P117 L183P117-A190 WeakPolarHBondContact CD-O 2.9Å; L183-A190 HydrophobicContact CD2-CB 3.73Å
191C68.2Low68.3Low44 Ų4499.9 Ų99.930%0.29752%0.519SS..  trans-71.3153.7-179.269.80000112.6D189 Q193D189-C191 VanDerWaalsContact CG-SG 3.58Å; D189-C191 PolarHBondContact OD1-N 3.39Å; D189-C191 PolarHBondContact OD1-SG 3.35Å; D189-C191 PolarHBondContact OD2-SG 3Å; C191-Q193 PolarHBondContact O-N 3.27Å
192K63.8Low66.4Low160 Ų16098.2 Ų98.270%0.69652%0.523SS*.THydrogen-bonded Turntrans-65-0.8173-73.1-178.9179.4-176.80113.5V116V116-K192 HydrophobicContact CG1-CD 4.2Å; V116-K192 HydrophobicContact CG1-CG 3.37Å
193Q55Low64.4Low142 Ų142106.1 Ų106.166%0.66455%0.547SS*.THydrogen-bonded Turntrans-120.913.1-159.8-86.4179.8-34.300115.5C191 L195 P196C191-Q193 PolarHBondContact O-N 3.27Å; Q193-L195 PolarHBondContact O-N 2.98Å; Q193-P196 WeakPolarHBondContact O-CD 3.26Å
194T49.8Very low62.5Low80 Ų80113.9 Ų113.949%0.49158%0.58SS.*  trans-70.31.8-178.1-29.80000114.4
195L45Very low60.9Low163 Ų163114.6 Ų114.685%0.85358%0.583SS**SBendtrans-118.574.8165.5-59.5175.2000108.6Q193Q193-L195 PolarHBondContact O-N 2.98Å
196P42.9Very low59.4Low76 Ų76113.8 Ų113.849%0.49458%0.583SS.*SBend-147.83786.339.8-19.9000114.7Q193 L198 S199Q193-P196 WeakPolarHBondContact O-CD 3.26Å; P196-L198 PolarHBondContact O-N 3.05Å; P196-S199 WeakPolarHBondContact O-CA 3.48Å; P196-S199 WeakPolarHBondContact O-CB 3.24Å; P196-S199 PolarHBondContact O-N 2.85Å; P196-S199 PolarHBondContact O-OG 3.2Å
197I49.2Very low57.8Low80 Ų80115.1 Ų115.141%0.4159%0.591SS.*Hα-helixtrans-67.6-18.4175.6-77.1167.6000112.8S199 E200 F201I197-S199 PolarHBondContact O-N 3.29Å; I197-E200 PolarHBondContact O-N 3.42Å; I197-F201 PolarHBondContact O-N 2.64Å
198L45.7Very low56.5Low152 Ų152117.1 Ų117.180%0.79659%0.589SS**Hα-helixtrans-63.6-22.8165.7-87.8166.4000113.1P196 F201P196-L198 PolarHBondContact O-N 3.05Å; L198-F201 HydrophobicContact CD2-CD2 4.47Å
199S54.5Low55.2Low63 Ų63117 Ų11744%0.44160%0.601SS.*Hα-helixtrans-87.9-15.3175.478.40000114P196 I197P196-S199 WeakPolarHBondContact O-CA 3.48Å; P196-S199 WeakPolarHBondContact O-CB 3.24Å; P196-S199 PolarHBondContact O-N 2.85Å; P196-S199 PolarHBondContact O-OG 3.2Å; I197-S199 PolarHBondContact O-N 3.29Å
200E56.3Low54Low162 Ų162120.1 Ų120.176%0.75761%0.61SS**Hα-helixtrans-101-3.1174.1-64.8-145.1157.500113.3I197I197-E200 PolarHBondContact O-N 3.42Å
201F51.1Low53Low106 Ų106125.4 Ų125.447%0.46563%0.634SS.*SBendtrans-58.1139.6173.9-126.9-78.9000109.4I197 L198 W203I197-F201 PolarHBondContact O-N 2.64Å; L198-F201 HydrophobicContact CD2-CD2 4.47Å; F201-W203 AromaticContact CD1-CD1 3.59Å; F201-W203 AromaticContact CD1-NE1 3.09Å; F201-W203 AromaticContact CE1-NE1 3.83Å; F201-W203 AromaticContact CG-NE1 3.83Å; F201-W203 PolarHBondContact O-N 3.4Å
202P52.4Low52.2Low114 Ų114126.7 Ų126.774%0.7465%0.648SS**G310 helixtrans-72.520.1-160.5-13.930.5000115.4K204P202-K204 PolarHBondContact O-N 2.71Å
203W47.3Very low51.3Low186 Ų186124.7 Ų124.771%0.70565%0.651SS**G310 helixtrans-77.3-11.2177.6-49.165.6000110.8F201 K205 M206F201-W203 AromaticContact CD1-CD1 3.59Å; F201-W203 AromaticContact CD1-NE1 3.09Å; F201-W203 AromaticContact CE1-NE1 3.83Å; F201-W203 AromaticContact CG-NE1 3.83Å; F201-W203 PolarHBondContact O-N 3.4Å; W203-K205 PolarHBondContact O-N 3.42Å; W203-M206 PolarHBondContact O-N 3.22Å
204K46.5Very low50.8Low177 Ų177129.9 Ų129.977%0.7767%0.665SS**G310 helixtrans-7514.9-178.8-132176.1-173175.50115.7P202P202-K204 PolarHBondContact O-N 2.71Å
205K52.9Low50.5Low199 Ų199130.6 Ų130.687%0.86567%0.673SS**G310 helixtrans-139.922.6168.8-76.6-170-179.51760113.9W203 D207W203-K205 PolarHBondContact O-N 3.42Å; K205-D207 PolarHBondContact O-N 2.86Å; K205-D207 VanDerWaalsContact O-N 3.13Å
206M53.1Low50.3Low141 Ų141132.2 Ų132.270%0.69567%0.673SS**  trans-78.298.9162.8-91.4177.4177.400108.8W203 V208W203-M206 PolarHBondContact O-N 3.22Å; M206-V208 VanDerWaalsContact C-N 3.26Å; M206-V208 WeakPolarHBondContact O-CG2 2.94Å; M206-V208 PolarHBondContact O-N 2.77Å
207D53Low50.3Low91 Ų91137.3 Ų137.349%0.48770%0.695SS.*  trans-64.989.3168.7-135.5-16.3000107.5K205 S209 K210K205-D207 PolarHBondContact O-N 2.86Å; K205-D207 VanDerWaalsContact O-N 3.13Å; D207-S209 PolarHBondContact O-N 3.02Å; D207-S209 PolarHBondContact OD1-OG 3.15Å; D207-K210 HydrophobicContact CB-CB 4.44Å; D207-K210 HydrophobicContact CB-CD 4.16Å; D207-K210 HydrophobicContact CB-CG 4.1Å; D207-K210 WeakPolarHBondContact O-CB 3.29Å; D207-K210 PolarHBondContact O-N 3.13Å
208V57.1Low49.8Very low111 Ų111139.5 Ų139.567%0.67372%0.718SS**G310 helixtrans-59.4-19178.2-167.80000110.6M206 K210 L211M206-V208 VanDerWaalsContact C-N 3.26Å; M206-V208 WeakPolarHBondContact O-CG2 2.94Å; M206-V208 PolarHBondContact O-N 2.77Å; V208-K210 VanDerWaalsContact C-N 3.28Å; V208-K210 PolarHBondContact O-N 3.31Å; V208-L211 PolarHBondContact O-N 3.41Å
209S59.3Low49.9Very low87 Ų87135.6 Ų135.661%0.60871%0.714SS**G310 helixtrans-65.6-22170.568.60000114.4D207D207-S209 PolarHBondContact O-N 3.02Å; D207-S209 PolarHBondContact OD1-OG 3.15Å
210K57.1Low49.1Very low168 Ų168138.6 Ų138.673%0.7373%0.733SS**G310 helixtrans-88.4-11.4173.8-70.7-176.3-177.4-179.80113.2D207 V208 A212D207-K210 HydrophobicContact CB-CB 4.44Å; D207-K210 HydrophobicContact CB-CD 4.16Å; D207-K210 HydrophobicContact CB-CG 4.1Å; D207-K210 WeakPolarHBondContact O-CB 3.29Å; D207-K210 PolarHBondContact O-N 3.13Å; V208-K210 VanDerWaalsContact C-N 3.28Å; V208-K210 PolarHBondContact O-N 3.31Å; K210-A212 PolarHBondContact O-N 3.16Å; K210-A212 VanDerWaalsContact O-N 3.11Å
211L51.8Low48Very low131 Ų131136 Ų13669%0.68673%0.732SS**  trans-85.653.7167.2-64.8166.7000108.7V208V208-L211 PolarHBondContact O-N 3.41Å
212A51.5Low47.4Very low71 Ų71139.3 Ų139.359%0.58775%0.754SS**  trans-64.4134.217000000108.2K210 R214K210-A212 PolarHBondContact O-N 3.16Å; K210-A212 VanDerWaalsContact O-N 3.11Å; A212-R214 PolarHBondContact O-N 3.25Å
213P46.7Very low46.9Very low118 Ų118139.6 Ų139.677%0.76675%0.753SS**  trans-61.9116.5-179.425.8-31.2000107.2S215P213-S215 PolarHBondContact O-N 3.06Å
214R43.9Very low46.2Very low252 Ų252135.2 Ų135.295%0.95176%0.756SS**  trans-69.884.1175.3-148.8177.3176.2-177.3-2.4107.1A212A212-R214 PolarHBondContact O-N 3.25Å
215S43.2Very low46Very low94 Ų94133 Ų13366%0.65776%0.758SS**  trans-59.2142.9172.858.60000109.4P213P213-S215 PolarHBondContact O-N 3.06Å
216K40.5Very low45.1Very low197 Ų197128.4 Ų128.486%0.85775%0.75SS**  trans77.181.3170.9-52.5-178.8-177.4-179.10115.6
217L42.7Very low44.4Very low183 Ų183131 Ų13196%0.95876%0.761SS**  trans-128.4133.4137.3-132.582.4000109.3
218S39.6Very low43.5Very low126 Ų126132.1 Ų132.188%0.88177%0.771SS**  trans-92.5124.1-166.4165.80000111.9
219G48.2Very low42.6Very low70 Ų70133.5 Ų133.572%0.72278%0.775SS**  trans94.7160.2151.800000117.8
220P37.2Very low41.5Very low127 Ų127137.1 Ų137.183%0.82578%0.782SS**  cis-122.9147.3-33.333.6-17.6000113.5
221S32.1Very low40.5Very low107 Ų107134.6 Ų134.675%0.74878%0.781SS**  trans1.5115.3154.4164.60000118.7
222L40.2Very low39.8Very low175 Ų175137.4 Ų137.492%0.91679%0.791SS**  trans-122.3130.6149.8-88.3170.7000110.3
223V40.1Very low39.2Very low121 Ų121143.5 Ų143.573%0.73380%0.804SS**PPolyproline II helixtrans-69.7128.6-168.9174.60000110.4
224A33.7Very low38.6Very low93 Ų93142 Ų14277%0.76981%0.809SS**PPolyproline II helixtrans-85.8117.9167.700000109.2
225V42.2Very low38.2Very low131 Ų131134.9 Ų134.979%0.79480%0.804SS**PPolyproline II helixtrans-81.6124.1163.5177.90000107
226S34.8Very low37.7Very low102 Ų102141.9 Ų141.971%0.71382%0.817SS**PPolyproline II helixtrans-101.3132171.638.70000107.9
227E38Very low37.4Very low196 Ų196137.7 Ų137.792%0.91681%0.812SS**  trans-112.6104.9160.7-99.8175.5162.100107.1
228T33.9Very low37.1Very low115 Ų115134.3 Ų134.371%0.70680%0.799SS**  trans-83.5145.7158.941.70000109.1
229D37.1Very low36.9Very low140 Ų140137 Ų13775%0.74980%0.795SS**  trans148.5137.6144.1-91.8-8.4000110.9
230E37.7Very low36.5Very low162 Ų162139.9 Ų139.976%0.75780%0.798SS**  cis-150.6139.5-0.8-54.2-164.7100.400105.8
231T35.7Very low36.7Very low116 Ų116138.5 Ų138.571%0.71279%0.789SS**  55.3101.375.1-32.90000117.2
232E37.5Very low36.9Very low190 Ų190142.2 Ų142.289%0.88880%0.795SS**  trans-166.6100.4133.1-116.1-172.1148.900109.5
233K37.8Very low36.7Very low199 Ų199137.4 Ų137.487%0.86578%0.781SS**  57.3119.487.7-90.5-175.1178.4174.30115.8
234G34.5Very low36.6Very low85 Ų85140.7 Ų140.788%0.87679%0.788SS**  trans174.961.8166.300000114.1
235A34.6Very low36.5Very low103 Ų103144.6 Ų144.685%0.85179%0.79SS**  trans-73.7142.517600000112.8
236R34.6Very low36Very low242 Ų242142.3 Ų142.391%0.91379%0.785SS**  -166.8122.9129.2-153.7163.7179.7174.3-1.2112.7
237S32.6Very low36.2Very low109 Ų109146.7 Ų146.776%0.76279%0.791SS**  trans-107145.4170.5167.90000109.2
238T36.8Very low35.8Very low112 Ų112145 Ų14569%0.68779%0.789SS**  trans-166.7117.3148.513.10000114
239K35.1Very low35.9Very low181 Ų181143.6 Ų143.679%0.78779%0.788SS**  trans59.5124136.4-65.6177.4175.1-1720120.7
240V40.2Very low35.6Very low132 Ų132146.1 Ų146.180%0.880%0.796SS**  cis78.8141.745.2176.30000112.6
241P41.7Very low35.3Very low97 Ų97147.3 Ų147.363%0.6380%0.801SS**  cis-146.7-157.5-30.743.4-22.1000115.2
242E35.1Very low35.2Very low185 Ų185146.9 Ų146.986%0.86480%0.803SS**  trans79.2142.7155.5-91.9174.4120.500119.3
243A37.8Very low35.3Very low75 Ų75144.2 Ų144.262%0.6280%0.799SS**  cis-165.5161.85.300000110.8
244E37.3Very low35.3Very low189 Ų189140 Ų14088%0.88379%0.792SS**  trans53.4142.5155.1-68.8179.713700119.8
245E32.4Very low35.4Very low176 Ų176142.2 Ų142.282%0.82279%0.788SS**  cis-163.9158.139.4-166.4179.5145.100110.4
246A31.5Very low35.5Very low82 Ų82143 Ų14368%0.67878%0.783SS**  trans-77.3150.8-174.200000115.8
247K37.8Very low35.5Very low194 Ų194137 Ų13784%0.84377%0.773SS**  172.2128.9126.2-94.9161-175170.80113.2
248N31.3Very low35.8Very low162 Ų162138.8 Ų138.887%0.86677%0.773SS**  trans35.6115145.9-89.6-6.5000119.8
249A34.6Very low35.6Very low85 Ų85138.2 Ų138.270%0.70277%0.769SS**  168.6143.6112.100000110.7Q251A249-Q251 PolarHBondContact O-N 3.33Å
250Q30.2Very low35.7Very low192 Ų192135.3 Ų135.390%0.89777%0.767SS**  trans-21.8123.3171.7-9391.4-38.800115.1
251Q31.6Very low35.4Very low187 Ų187133.6 Ų133.687%0.87476%0.756SS**  trans-136.4130.2165.6-145.4160.87.700112.8A249A249-Q251 PolarHBondContact O-N 3.33Å
252S34.8Very low35Very low107 Ų107132.7 Ų132.775%0.74876%0.757SS**PPolyproline II helixtrans-65.7148.7-174.740.10000113.4
253V38.7Very low34.9Very low134 Ų134129.7 Ų129.781%0.81275%0.752SS**PPolyproline II helixtrans-70.2127.1174.2-1750000109.6
254P38.4Very low34.8Very low110 Ų110130.8 Ų130.871%0.71475%0.75SS**PPolyproline II helixtrans-81.5127172.731-30000110.4T256P254-T256 PolarHBondContact O-N 3.36Å
255V36.9Very low34.7Very low132 Ų132127.9 Ų127.980%0.875%0.746SS**  trans-77.7112.8169.5174.80000108.9T257V255-T257 PolarHBondContact O-N 3.45Å
256T35.6Very low34.9Very low119 Ų119127.1 Ų127.173%0.7375%0.748SS**  trans-68.2113.9175.9-54.10000110.8P254 I258P254-T256 PolarHBondContact O-N 3.36Å; T256-I258 HydrophobicContact CG2-CG1 4.32Å
257T36.1Very low35.2Very low117 Ų117132.2 Ų132.272%0.71875%0.754SS**  trans-86.7109.4169.5-60.80000109.2V255V255-T257 PolarHBondContact O-N 3.45Å
258I38.3Very low34.9Very low146 Ų146126.9 Ų126.975%0.74975%0.754SS**  trans-84.5114.5170.3-59.5175000107.7T256T256-I258 HydrophobicContact CG2-CG1 4.32Å
259T32.1Very low35.1Very low100 Ų100128.4 Ų128.461%0.61376%0.756SS**  trans-106107.8174-60.90000109V261T259-V261 HydrophobicContact CG2-CG2 3.96Å
260T37.6Very low35Very low120 Ų120134 Ų13474%0.73677%0.765SS**  trans-98126.6167-56.30000109
261V34.7Very low35.3Very low96 Ų96134.4 Ų134.458%0.58277%0.767SS**  trans-106.5111.5-177.7177.50000108.9R165 T259R165-V261 VanDerWaalsContact NH2-CG2 3.27Å; T259-V261 HydrophobicContact CG2-CG2 3.96Å
262A31.6Very low35.4Very low78 Ų78134 Ų13465%0.64577%0.765SS**  trans-129.1130.6161.700000108.7
263T34.6Very low35.5Very low123 Ų123137.5 Ų137.576%0.75577%0.769SS**  trans-94124178.541.10000109.4
264V34.8Very low35.4Very low97 Ų97135.4 Ų135.459%0.58876%0.761SS**  trans-96.7115.2166.2177.80000109L163L163-V264 HydrophobicContact CD1-CG2 3.71Å; L163-V264 HydrophobicContact CD2-CG2 4.08Å; L163-V264 HydrophobicContact CG-CG2 3.6Å
265T35.6Very low35.6Very low129 Ų129137 Ų13779%0.79177%0.768SS**PPolyproline II helixtrans-84.5119.816543.70000108.3
266D36Very low35.6Very low160 Ų160133.8 Ų133.886%0.85676%0.762SS**PPolyproline II helixtrans-92.2129.6169.4-167.418.7000109.9
267K37.6Very low35.7Very low188 Ų188136.2 Ų136.282%0.81777%0.771SS**PPolyproline II helixtrans-87.1132.9-177.8-89.5179.7171179.90108.4
268G32.1Very low36.1Very low82 Ų82135.2 Ų135.285%0.84577%0.774SS**PPolyproline II helixtrans-68.6138.3171.700000112.6
269E35.8Very low36.2Very low195 Ų195131.7 Ų131.791%0.91177%0.774SS**PPolyproline II helixtrans-90.9126.3166-72.3176.1152.200109.7
270K32.2Very low36.9Very low201 Ų201133.6 Ų133.687%0.87479%0.788SS**  trans-116.3120.9161.2-105.2-172.3172.8-169.30105
271E37.1Very low37.2Very low201 Ų201132.9 Ų132.994%0.93979%0.794SS**  trans-112.8132.1162.6-77-172.5153.500109.1
272E33.7Very low37.7Very low180 Ų180133.3 Ų133.384%0.84180%0.801SS**  trans-142.6123.7-178.4-172.8177.7-148.700105.7
273E36.3Very low38.3Very low179 Ų179134.5 Ų134.584%0.83680%0.801SS**  trans162.9115.4150.1-97.8-167.712200110
274S36.3Very low38.8Very low90 Ų90136.9 Ų136.963%0.62981%0.805SS**  75.2133.883.687.70000111.2
275V42.5Very low39.1Very low143 Ų143141.7 Ų141.787%0.86782%0.819SS**  cis-171.8155.139.1167.40000109.9
276G38.1Very low39.5Very low66 Ų66141.7 Ų141.768%0.6882%0.819SS**  trans106.795.7143.100000117
277D36.9Very low39.9Very low170 Ų170138.9 Ų138.991%0.90981%0.811SS**  67.3110.582.5-163.737.1000116.4
278A43.5Very low40.6Very low95 Ų95135.3 Ų135.379%0.78581%0.805SS**  trans167.5120.413800000111.3
279G40.2Very low41.4Very low73 Ų73138.4 Ų138.475%0.75380%0.802SS**  trans-81.1-175.7178.500000116.1
280P47.7Very low42.3Very low139 Ų139140.9 Ų140.990%0.90382%0.822SS**  trans-111.2166.7-138.139.5-32.7000115.8
281A43.6Very low42.8Very low105 Ų105137.9 Ų137.987%0.86882%0.819SS**  trans-135.2138.1167.500000112.8
282S45.2Very low43.1Very low105 Ų105134.5 Ų134.573%0.73481%0.813SS**  trans-57.8159.3-174.466.20000118.9
283T44.8Very low43.6Very low104 Ų104132 Ų13264%0.63881%0.811SS**  130.7131.4118.7-68.30000117.7
284M44.8Very low44Very low172 Ų172129.2 Ų129.285%0.84781%0.81SS**  trans71.7108.6158.5-76.4160-16300118.7
285K41.2Very low44.5Very low199 Ų199131.7 Ų131.787%0.86582%0.821SS**  57113.669.3-89.1-170177.2-179.90115.5
286T44.3Very low44.7Very low129 Ų129130.9 Ų130.979%0.79182%0.818SS**  165.5102.5125.739.40000107
287S44.8Very low45.1Very low101 Ų101135.6 Ų135.671%0.70683%0.828SS**  73.9137.286.667.30000114.5
288V51.8Low45.8Very low113 Ų113132.9 Ų132.969%0.68582%0.821SS**  trans121.2110.9142.9-177.80000115.5
289D47.9Very low45.9Very low147 Ų147136.1 Ų136.179%0.78682%0.824SS**  trans89.3130.9142-58.6-12.8000123.9
290D54.9Low46.5Very low246 Ų246141.8 Ų141.8100%1.31683%0.831SS**  trans71.40-178.1-66.5-43000120.7

Retrieved 290 of 290 residues in 509.2 ms (Link to these results)

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