G4VQT2_SCHMA Loading...

Putative growth factor receptor-bound protein

AlphaFold DB , UniProt , Accession G4VQT2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 317 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
1M81.4Confident87.4Confident1 Ų146.8 Ų46.81%0.00526%0.255CS..  0159.80-72.1168.4-86.700109.4Y26 I27 M30 W60 Y61 F103 N137M1-Y26 CarbonylContact O-C 3.45Å; M1-Y26 WeakPolarHBondContact O-CA 3.36Å; M1-I27 HydrophobicContact CB-CB 4.4Å; M1-I27 PolarHBondContact N-O 3.48Å; M1-I27 PolarHBondContact O-N 3.19Å; M1-M30 HydrophobicContact CB-CE 4.44Å; M1-M30 HydrophobicContact CE-CE 3.33Å; M1-M30 HydrophobicContact CE-CG 4.48Å; M1-M30 HydrophobicContact CE-SD 3.61Å; M1-M30 HydrophobicContact SD-CE 3.73Å; M1-M30 HydrophobicContact SD-SD 4.4Å; M1-W60 HydrophobicContact CG-CH2 4.33Å; M1-Y61 HydrophobicContact CE-CD1 4.01Å; M1-Y61 HydrophobicContact CE-CE1 3.42Å; M1-Y61 VanDerWaalsContact CE-CE1 3.42Å; M1-Y61 HydrophobicContact CE-CE2 4.41Å; M1-Y61 HydrophobicContact SD-CD1 3.43Å; M1-Y61 WeakPolarHBondContact SD-CD1 3.48Å; M1-Y61 HydrophobicContact SD-CE1 3.53Å; M1-Y61 VanDerWaalsContact SD-CE1 3.53Å; M1-Y61 HydrophobicContact SD-CG 4.01Å; M1-F103 HydrophobicContact CE-CE1 4.08Å; M1-F103 HydrophobicContact CE-CZ 4.06Å; M1-N137 VanDerWaalsContact CA-OD1 3.31Å; M1-N137 WeakPolarHBondContact CA-OD1 3.39Å
2E85.8Confident87.7Confident38 Ų3852.3 Ų52.318%0.17829%0.291CS..EExtended strand (participates in β ladder)trans-96.9146.4176.8-68.6179.4179.700112.3L25 Y26 Y56 S135 N137E2-L25 CarbonylContact C-O 3.56Å; E2-L25 WeakPolarHBondContact CA-O 3.37Å; E2-Y26 HydrophobicContact CG-CD1 3.98Å; E2-Y26 HydrophobicContact CG-CE1 4.07Å; E2-Y56 HydrophobicContact CB-CD2 3.5Å; E2-Y56 VanDerWaalsContact CB-CD2 3.5Å; E2-Y56 HydrophobicContact CB-CE2 4.09Å; E2-Y56 HydrophobicContact CB-CG 4.21Å; E2-Y56 PolarHBondContact O-N 2.99Å; E2-Y56 VanDerWaalsContact OE2-CD2 3.32Å; E2-Y56 WeakPolarHBondContact OE2-CD2 3.32Å; E2-Y56 WeakPolarHBondContact OE2-CE2 3.27Å; E2-S135 VanDerWaalsContact OE1-CB 3.24Å; E2-S135 WeakPolarHBondContact OE1-CB 3.45Å; E2-S135 PolarHBondContact OE1-OG 2.91Å; E2-N137 HydrophobicContact CG-CB 4Å; E2-N137 PolarHBondContact N-OD1 2.99Å
3A85.3Confident88.1Confident0 Ų056.8 Ų56.80%031%0.309CS..EExtended strand (participates in β ladder)trans-141.5155173.400000110.2T24 L25 I27 I53 S54 L55A3-T24 CarbonylContact O-C 3.48Å; A3-T24 WeakPolarHBondContact O-CA 3.31Å; A3-L25 HydrophobicContact CB-CB 4.43Å; A3-L25 PolarHBondContact N-O 2.89Å; A3-L25 PolarHBondContact O-N 3.01Å; A3-I27 HydrophobicContact CB-CD1 3.87Å; A3-I27 HydrophobicContact CB-CG1 3.92Å; A3-I53 HydrophobicContact CB-CB 4.27Å; A3-I53 HydrophobicContact CB-CD1 4.01Å; A3-S54 CarbonylContact C-O 3.57Å; A3-S54 VanDerWaalsContact CA-O 3.25Å; A3-S54 WeakPolarHBondContact CA-O 3.37Å; A3-L55 HydrophobicContact CB-CD2 3.78Å
4V85.3Confident88.4Confident37 Ų3762 Ų6222%0.22435%0.347CS..EExtended strand (participates in β ladder)trans-111.5134.2172.162.40000110.2N6 I53 S54 Y56V4-N6 PolarHBondContact O-N 3.06Å; V4-I53 CarbonylContact O-C 3.55Å; V4-I53 VanDerWaalsContact O-CA 3.32Å; V4-I53 WeakPolarHBondContact O-CA 3.47Å; V4-S54 PolarHBondContact N-O 3.23Å; V4-S54 PolarHBondContact O-N 3.36Å; V4-Y56 HydrophobicContact CB-CE1 4.01Å; V4-Y56 HydrophobicContact CG1-CE1 3.97Å
5A90.5Very high88.7Confident3 Ų364.3 Ų64.33%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-71.7121.2175.300000111.4F19 E20 G22 S23 L25A5-F19 HydrophobicContact CB-CD2 3.47Å; A5-F19 VanDerWaalsContact CB-CD2 3.47Å; A5-F19 HydrophobicContact CB-CE2 3.75Å; A5-F19 HydrophobicContact CB-CG 4.42Å; A5-E20 WeakPolarHBondContact CB-O 3.3Å; A5-G22 PolarHBondContact O-N 2.9Å; A5-S23 PolarHBondContact N-O 3.38Å; A5-L25 HydrophobicContact CB-CD1 4.37Å
6N77.6Confident89.1Confident50 Ų5061.9 Ų61.927%0.26734%0.343SS..SBendtrans-81.1-27.9176.7-61.5-36.3000112.3V4 K21 Y52 S54V4-N6 PolarHBondContact O-N 3.06Å; N6-K21 WeakPolarHBondContact O-CD 3.47Å; N6-K21 VanDerWaalsContact O-CE 3.31Å; N6-K21 WeakPolarHBondContact O-CE 3.4Å; N6-K21 WeakPolarHBondContact O-CG 3.09Å; N6-Y52 WeakPolarHBondContact CB-O 3.34Å; N6-Y52 PolarHBondContact N-O 2.8Å; N6-S54 VanDerWaalsContact CG-OG 3.25Å; N6-S54 PolarHBondContact ND2-N 3.05Å; N6-S54 PolarHBondContact ND2-OG 2.97Å; N6-S54 PolarHBondContact OD1-OG 3.29Å
7Y80.6Confident89.5Confident119 Ų11958.5 Ų58.547%0.46732%0.324SS..SBendtrans-138.1156.7-177.5-52.1-69.4000109.8F19 Y52Y7-F19 VanDerWaalsContact O-CE2 3.25Å; Y7-F19 WeakPolarHBondContact O-CE2 3.46Å; Y7-Y52 HydrophobicContact CD2-CD1 4.47Å; Y7-Y52 HydrophobicContact CD2-CG 4.44Å
8P93.3Very high89.9Confident69 Ų6956.7 Ų56.745%0.44832%0.321SS..  trans-72151.4168.832.9-33.8000110.2F19 Y52P8-F19 CarbonylContact C-O 3.45Å; P8-F19 WeakPolarHBondContact CA-O 3.44Å; P8-Y52 WeakPolarHBondContact O-CE1 3.19Å
9F92.9Very high90.2Very high26 Ų2654.2 Ų54.211%0.11431%0.306CS..BIsolated β-bridgetrans-135.2128177.4179-112.2000110.5E16 L17 G18 F19 W36 P49 Y52F9-E16 HydrophobicContact CE1-CB 4.1Å; F9-E16 HydrophobicContact CE1-CG 4.48Å; F9-E16 HydrophobicContact CZ-CB 4.46Å; F9-E16 HydrophobicContact CZ-CG 4.42Å; F9-L17 WeakPolarHBondContact CD1-O 3.49Å; F9-G18 WeakPolarHBondContact O-CA 3.43Å; F9-F19 HydrophobicContact CB-CD1 4.03Å; F9-F19 HydrophobicContact CB-CD2 3.98Å; F9-F19 HydrophobicContact CB-CE1 3.52Å; F9-F19 HydrophobicContact CB-CE2 3.5Å; F9-F19 HydrophobicContact CB-CG 4.24Å; F9-F19 HydrophobicContact CB-CZ 3.25Å; F9-F19 HydrophobicContact CD1-CD1 4.23Å; F9-F19 AromaticContact CD1-CE1 3.63Å; F9-F19 HydrophobicContact CD1-CE1 3.63Å; F9-F19 HydrophobicContact CD1-CZ 4.13Å; F9-F19 AromaticContact CG-CE1 3.9Å; F9-F19 HydrophobicContact CG-CE1 3.9Å; F9-F19 AromaticContact CG-CZ 3.91Å; F9-F19 HydrophobicContact CG-CZ 3.91Å; F9-F19 PolarHBondContact N-O 3.02Å; F9-F19 PolarHBondContact O-N 2.79Å; F9-F19 VanDerWaalsContact O-N 3.11Å; F9-W36 HydrophobicContact CE1-CZ3 4.37Å; F9-W36 HydrophobicContact CE2-CH2 4.42Å; F9-W36 AromaticContact CZ-CH2 3.85Å; F9-W36 HydrophobicContact CZ-CH2 3.85Å; F9-W36 AromaticContact CZ-CZ3 3.92Å; F9-W36 HydrophobicContact CZ-CZ3 3.92Å; F9-P49 HydrophobicContact CD1-CG 4.4Å; F9-P49 HydrophobicContact CD2-CG 3.7Å; F9-P49 HydrophobicContact CE1-CG 4.44Å; F9-P49 HydrophobicContact CE2-CG 3.76Å; F9-P49 HydrophobicContact CG-CG 4.05Å; F9-P49 HydrophobicContact CZ-CG 4.15Å; F9-Y52 HydrophobicContact CB-CD1 3.97Å; F9-Y52 HydrophobicContact CB-CE1 4.31Å; F9-Y52 HydrophobicContact CD2-CD1 4.29Å; F9-Y52 HydrophobicContact CD2-CE1 4.12Å
10T95.1Very high90.5Very high116 Ų11658.3 Ų58.371%0.71232%0.322SS*.  trans-106119.8176.3-55.70000108.5T12T10-T12 PolarHBondContact O-N 3.28Å
11P93.7Very high90.6Very high56 Ų5662.6 Ų62.636%0.36434%0.338SS..  trans-56.9131.8177.1-29.439.2000111.9E16 G18P11-E16 WeakPolarHBondContact CA-OE2 3.41Å; P11-E16 HydrophobicContact CB-CB 3.86Å; P11-E16 HydrophobicContact CG-CB 4.42Å; P11-G18 VanDerWaalsContact CD-CA 3.43Å; P11-G18 VanDerWaalsContact CG-CA 3.42Å
12T91.1Very high90.9Very high112 Ų11264.8 Ų64.869%0.68736%0.361SS*.SBendtrans-99.2-27.216848.10000112.3T10 E16T10-T12 PolarHBondContact O-N 3.28Å; T12-E16 WeakPolarHBondContact CA-OE2 3.38Å; T12-E16 PolarHBondContact N-OE2 3.42Å; T12-E16 PolarHBondContact OG1-OE1 2.76Å; T12-E16 PolarHBondContact OG1-OE2 2.9Å
13E92.5Very high91.2Very high112 Ų11264.2 Ų64.252%0.52336%0.361SS..SBendtrans-117156.1179.1-64.2-62.4153.200112.6D15 E16E13-D15 VanDerWaalsContact C-N 3.26Å; E13-D15 VanDerWaalsContact CB-OD1 3.31Å; E13-D15 WeakPolarHBondContact CB-OD1 3.36Å; E13-D15 PolarHBondContact O-N 2.66Å; E13-E16 HydrophobicContact CB-CG 4.04Å; E13-E16 PolarHBondContact N-OE2 3.06Å; E13-E16 WeakPolarHBondContact O-CB 3.26Å; E13-E16 PolarHBondContact O-N 2.98Å
14P92.8Very high91.5Very high129 Ų12966.6 Ų66.684%0.83838%0.376SS*.THydrogen-bonded Turntrans-65.7-22.6-175.6-2233.9000115.5
15D93.4Very high91.8Very high97 Ų9764.9 Ų64.952%0.51937%0.365SS..THydrogen-bonded Turntrans-90.9-3179.764.3-46.3000113.1E13 G46 M47E13-D15 VanDerWaalsContact C-N 3.26Å; E13-D15 VanDerWaalsContact CB-OD1 3.31Å; E13-D15 WeakPolarHBondContact CB-OD1 3.36Å; E13-D15 PolarHBondContact O-N 2.66Å; D15-G46 CarbonylContact O-C 3.4Å; D15-G46 WeakPolarHBondContact O-CA 3.48Å; D15-M47 PolarHBondContact O-N 3.23Å
16E95Very high91.7Very high26 Ų2667.1 Ų67.112%0.12137%0.373CS..BIsolated β-bridgetrans-87144.7-179.9-71.9174.6171.900112.7F9 P11 T12 E13 W36 M47F9-E16 HydrophobicContact CE1-CB 4.1Å; F9-E16 HydrophobicContact CE1-CG 4.48Å; F9-E16 HydrophobicContact CZ-CB 4.46Å; F9-E16 HydrophobicContact CZ-CG 4.42Å; P11-E16 WeakPolarHBondContact CA-OE2 3.41Å; P11-E16 HydrophobicContact CB-CB 3.86Å; P11-E16 HydrophobicContact CG-CB 4.42Å; T12-E16 WeakPolarHBondContact CA-OE2 3.38Å; T12-E16 PolarHBondContact N-OE2 3.42Å; T12-E16 PolarHBondContact OG1-OE1 2.76Å; T12-E16 PolarHBondContact OG1-OE2 2.9Å; E13-E16 HydrophobicContact CB-CG 4.04Å; E13-E16 PolarHBondContact N-OE2 3.06Å; E13-E16 WeakPolarHBondContact O-CB 3.26Å; E13-E16 PolarHBondContact O-N 2.98Å; E16-W36 HydrophobicContact CG-CH2 4.17Å; E16-W36 HydrophobicContact CG-CZ3 3.91Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.05Å; E16-M47 WeakPolarHBondContact CA-O 3.41Å; E16-M47 HydrophobicContact CG-CB 4.5Å
17L95.3Very high92.1Very high4 Ų464.7 Ų64.72%0.02136%0.36CS..  trans-104.2116.8-179.4177.965.5000111F9 F19 L25 A39 L41 Q44 M47 V48F9-L17 WeakPolarHBondContact CD1-O 3.49Å; L17-F19 WeakPolarHBondContact O-CD1 3.47Å; L17-L25 HydrophobicContact CD2-CD2 4.4Å; L17-A39 HydrophobicContact CD2-CB 4.33Å; L17-A39 WeakPolarHBondContact CD2-O 3.41Å; L17-L41 HydrophobicContact CD1-CB 4.26Å; L17-L41 HydrophobicContact CD2-CB 3.86Å; L17-L41 HydrophobicContact CG-CB 4.35Å; L17-Q44 HydrophobicContact CD1-CB 3.55Å; L17-M47 PolarHBondContact N-O 3.03Å; L17-V48 HydrophobicContact CB-CG1 3.86Å; L17-V48 HydrophobicContact CD2-CG1 4.16Å; L17-V48 HydrophobicContact CG-CG1 4.34Å
18G95.7Very high92.3Very high25 Ų2560.2 Ų60.226%0.25835%0.345SS..  trans-78.3144.8177.200000112.9F9 P11F9-G18 WeakPolarHBondContact O-CA 3.43Å; P11-G18 VanDerWaalsContact CD-CA 3.43Å; P11-G18 VanDerWaalsContact CG-CA 3.42Å
19F96.5Very high91.7Very high9 Ų958 Ų584%0.03934%0.336CS..BIsolated β-bridgetrans-154.4155.4-179.752.2-96.6000113A5 Y7 P8 F9 L17 L25 L41 V48 Y52 I53A5-F19 HydrophobicContact CB-CD2 3.47Å; A5-F19 VanDerWaalsContact CB-CD2 3.47Å; A5-F19 HydrophobicContact CB-CE2 3.75Å; A5-F19 HydrophobicContact CB-CG 4.42Å; Y7-F19 VanDerWaalsContact O-CE2 3.25Å; Y7-F19 WeakPolarHBondContact O-CE2 3.46Å; P8-F19 CarbonylContact C-O 3.45Å; P8-F19 WeakPolarHBondContact CA-O 3.44Å; F9-F19 HydrophobicContact CB-CD1 4.03Å; F9-F19 HydrophobicContact CB-CD2 3.98Å; F9-F19 HydrophobicContact CB-CE1 3.52Å; F9-F19 HydrophobicContact CB-CE2 3.5Å; F9-F19 HydrophobicContact CB-CG 4.24Å; F9-F19 HydrophobicContact CB-CZ 3.25Å; F9-F19 HydrophobicContact CD1-CD1 4.23Å; F9-F19 AromaticContact CD1-CE1 3.63Å; F9-F19 HydrophobicContact CD1-CE1 3.63Å; F9-F19 HydrophobicContact CD1-CZ 4.13Å; F9-F19 AromaticContact CG-CE1 3.9Å; F9-F19 HydrophobicContact CG-CE1 3.9Å; F9-F19 AromaticContact CG-CZ 3.91Å; F9-F19 HydrophobicContact CG-CZ 3.91Å; F9-F19 PolarHBondContact N-O 3.02Å; F9-F19 PolarHBondContact O-N 2.79Å; F9-F19 VanDerWaalsContact O-N 3.11Å; L17-F19 WeakPolarHBondContact O-CD1 3.47Å; F19-L25 HydrophobicContact CB-CD2 4.05Å; F19-L25 HydrophobicContact CD1-CD1 3.99Å; F19-L25 HydrophobicContact CD1-CD2 4.22Å; F19-L25 HydrophobicContact CD2-CD1 4.35Å; F19-L25 HydrophobicContact CE1-CD1 4.16Å; F19-L25 HydrophobicContact CE2-CD1 4.47Å; F19-L25 HydrophobicContact CG-CD1 4.1Å; F19-L25 HydrophobicContact CG-CD2 4.25Å; F19-L25 HydrophobicContact CZ-CD1 4.38Å; F19-L41 HydrophobicContact CB-CD2 3.83Å; F19-V48 HydrophobicContact CD1-CG1 3.91Å; F19-V48 HydrophobicContact CE1-CB 3.7Å; F19-V48 HydrophobicContact CE1-CG1 3.54Å; F19-V48 HydrophobicContact CZ-CB 4.4Å; F19-Y52 HydrophobicContact CE2-CD1 4.42Å; F19-Y52 HydrophobicContact CZ-CD1 4.43Å; F19-I53 HydrophobicContact CE2-CG2 4.41Å; F19-I53 HydrophobicContact CZ-CG2 4.16Å
20E96.9Very high90.7Very high136 Ų13657.8 Ų57.864%0.63634%0.335SS*.  trans-91.5153.1173.5-68.1-60.5155.300111.2A5 G22 S23A5-E20 WeakPolarHBondContact CB-O 3.3Å; E20-G22 PolarHBondContact O-N 3.08Å; E20-S23 PolarHBondContact N-OG 2.8Å; E20-S23 WeakPolarHBondContact O-CB 3.34Å; E20-S23 PolarHBondContact O-N 3.08Å; E20-S23 PolarHBondContact O-OG 3.34Å
21K91.1Very high89.2Confident149 Ų14957 Ų5765%0.64832%0.323SS*.THydrogen-bonded Turntrans-54.4133.8171.3177.2175.3-179.8-178.90110.5N6 S23N6-K21 WeakPolarHBondContact O-CD 3.47Å; N6-K21 VanDerWaalsContact O-CE 3.31Å; N6-K21 WeakPolarHBondContact O-CE 3.4Å; N6-K21 WeakPolarHBondContact O-CG 3.09Å; K21-S23 VanDerWaalsContact C-N 3.3Å
22G88.6Confident87.9Confident47 Ų4763 Ų6349%0.48535%0.347SS..THydrogen-bonded Turntrans84.4-2.2-17800000114.4A5 E20A5-G22 PolarHBondContact O-N 2.9Å; E20-G22 PolarHBondContact O-N 3.08Å
23S93.1Very high87.1Confident26 Ų2660.3 Ų60.318%0.18233%0.328CS..  trans-62.6135.6172.5-61.70000110.8A5 E20 K21A5-S23 PolarHBondContact N-O 3.38Å; E20-S23 PolarHBondContact N-OG 2.8Å; E20-S23 WeakPolarHBondContact O-CB 3.34Å; E20-S23 PolarHBondContact O-N 3.08Å; E20-S23 PolarHBondContact O-OG 3.34Å; K21-S23 VanDerWaalsContact C-N 3.3Å
24T90.3Very high86.2Confident51 Ų5159.7 Ų59.731%0.31333%0.334SS..EExtended strand (participates in β ladder)trans-83.4117.9169.1-55.90000109.1A3 Y26 L41A3-T24 CarbonylContact O-C 3.48Å; A3-T24 WeakPolarHBondContact O-CA 3.31Å; T24-Y26 HydrophobicContact CG2-CE1 4.42Å; T24-L41 WeakPolarHBondContact O-CD1 3.19Å
25L91.2Very high85.5Confident0 Ų058.4 Ų58.40%032%0.32CS..EExtended strand (participates in β ladder)trans-104.1141.7179.6-61.7168.5000109.8E2 A3 A5 L17 F19 I27 A39 L41 I53E2-L25 CarbonylContact C-O 3.56Å; E2-L25 WeakPolarHBondContact CA-O 3.37Å; A3-L25 HydrophobicContact CB-CB 4.43Å; A3-L25 PolarHBondContact N-O 2.89Å; A3-L25 PolarHBondContact O-N 3.01Å; A5-L25 HydrophobicContact CB-CD1 4.37Å; L17-L25 HydrophobicContact CD2-CD2 4.4Å; F19-L25 HydrophobicContact CB-CD2 4.05Å; F19-L25 HydrophobicContact CD1-CD1 3.99Å; F19-L25 HydrophobicContact CD1-CD2 4.22Å; F19-L25 HydrophobicContact CD2-CD1 4.35Å; F19-L25 HydrophobicContact CE1-CD1 4.16Å; F19-L25 HydrophobicContact CE2-CD1 4.47Å; F19-L25 HydrophobicContact CG-CD1 4.1Å; F19-L25 HydrophobicContact CG-CD2 4.25Å; F19-L25 HydrophobicContact CZ-CD1 4.38Å; L25-I27 HydrophobicContact CB-CD1 4.46Å; L25-A39 HydrophobicContact CB-CB 4.47Å; L25-L41 HydrophobicContact CD2-CB 3.88Å; L25-L41 HydrophobicContact CD2-CD1 4.19Å; L25-L41 HydrophobicContact CD2-CD2 4.16Å; L25-L41 HydrophobicContact CD2-CG 4.3Å; L25-I53 HydrophobicContact CD1-CG2 3.47Å; L25-I53 VanDerWaalsContact CD1-CG2 3.47Å
26Y89.8Confident85.1Confident50 Ų5057.3 Ų57.320%0.19631%0.308CS..EExtended strand (participates in β ladder)trans-102.4104174.6-54.2-68.9000109.7M1 E2 T24 V28 A39 R40 D134M1-Y26 CarbonylContact O-C 3.45Å; M1-Y26 WeakPolarHBondContact O-CA 3.36Å; E2-Y26 HydrophobicContact CG-CD1 3.98Å; E2-Y26 HydrophobicContact CG-CE1 4.07Å; T24-Y26 HydrophobicContact CG2-CE1 4.42Å; Y26-V28 PolarHBondContact O-N 3.39Å; Y26-A39 CarbonylContact O-C 3.45Å; Y26-A39 VanDerWaalsContact O-CA 3.31Å; Y26-A39 WeakPolarHBondContact O-CA 3.42Å; Y26-R40 PolarHBondContact N-O 3.11Å; Y26-R40 PolarHBondContact O-N 3.34Å; Y26-D134 HydrophobicContact CE1-CB 4.31Å
27I86.3Confident84.7Confident0 Ų057.5 Ų57.50%031%0.308CS..EExtended strand (participates in β ladder)trans-71.6122178.5-46.1-54.5000109.8M1 A3 L25 M30 A39 V48 I53 L55M1-I27 HydrophobicContact CB-CB 4.4Å; M1-I27 PolarHBondContact N-O 3.48Å; M1-I27 PolarHBondContact O-N 3.19Å; A3-I27 HydrophobicContact CB-CD1 3.87Å; A3-I27 HydrophobicContact CB-CG1 3.92Å; L25-I27 HydrophobicContact CB-CD1 4.46Å; I27-M30 HydrophobicContact CB-CE 3.93Å; I27-M30 HydrophobicContact CG1-CE 4.2Å; I27-M30 HydrophobicContact CG2-CE 3.5Å; I27-M30 VanDerWaalsContact CG2-CE 3.5Å; I27-M30 HydrophobicContact CG2-CG 3.62Å; I27-M30 HydrophobicContact CG2-SD 4.43Å; I27-A39 HydrophobicContact CD1-CB 3.73Å; I27-V48 HydrophobicContact CD1-CG2 4.49Å; I27-I53 HydrophobicContact CD1-CD1 3.59Å; I27-I53 HydrophobicContact CG1-CD1 4.49Å; I27-L55 HydrophobicContact CD1-CD2 4.31Å; I27-L55 HydrophobicContact CG1-CD2 3.59Å
28V83.5Confident84.5Confident24 Ų2461.9 Ų61.915%0.14533%0.327CS..EExtended strand (participates in β ladder)trans-105.4-21.1-179.7-63.20000112Y26 K38 R40 Y126Y26-V28 PolarHBondContact O-N 3.39Å; V28-K38 HydrophobicContact CG2-CB 3.76Å; V28-K38 HydrophobicContact CG2-CD 3.81Å; V28-K38 HydrophobicContact CG2-CG 3.48Å; V28-K38 VanDerWaalsContact CG2-CG 3.48Å; V28-K38 WeakPolarHBondContact CG2-O 3.28Å; V28-K38 PolarHBondContact N-O 3.11Å; V28-R40 HydrophobicContact CG1-CB 4.41Å; V28-Y126 WeakPolarHBondContact CG1-OH 3.43Å
29G80Confident84.3Confident24 Ų2460.7 Ų60.725%0.24732%0.315CS..EExtended strand (participates in β ladder)trans-159.9146.7176.400000112.9Y37 K38G29-Y37 CarbonylContact O-C 3.57Å; G29-Y37 WeakPolarHBondContact O-CA 3.31Å; G29-K38 PolarHBondContact N-O 2.86Å; G29-K38 VanDerWaalsContact N-O 3.11Å; G29-K38 PolarHBondContact O-N 2.97Å
30M73.4Confident84Confident21 Ų2161 Ų6110%0.10332%0.315CS..EExtended strand (participates in β ladder)trans-131.76.1-174-65.1178.5173.400114.2M1 I27 Y37 L55 Y61M1-M30 HydrophobicContact CB-CE 4.44Å; M1-M30 HydrophobicContact CE-CE 3.33Å; M1-M30 HydrophobicContact CE-CG 4.48Å; M1-M30 HydrophobicContact CE-SD 3.61Å; M1-M30 HydrophobicContact SD-CE 3.73Å; M1-M30 HydrophobicContact SD-SD 4.4Å; I27-M30 HydrophobicContact CB-CE 3.93Å; I27-M30 HydrophobicContact CG1-CE 4.2Å; I27-M30 HydrophobicContact CG2-CE 3.5Å; I27-M30 VanDerWaalsContact CG2-CE 3.5Å; I27-M30 HydrophobicContact CG2-CG 3.62Å; I27-M30 HydrophobicContact CG2-SD 4.43Å; M30-Y37 HydrophobicContact CB-CD1 3.9Å; M30-Y37 HydrophobicContact CB-CE1 4Å; M30-Y37 HydrophobicContact CB-CG 4.49Å; M30-Y37 HydrophobicContact CG-CD1 4.01Å; M30-Y37 HydrophobicContact CG-CD2 4.42Å; M30-Y37 HydrophobicContact CG-CE1 4.23Å; M30-Y37 HydrophobicContact CG-CG 4.12Å; M30-L55 HydrophobicContact CE-CD1 3.47Å; M30-L55 VanDerWaalsContact CE-CD1 3.47Å; M30-L55 HydrophobicContact CE-CD2 3.61Å; M30-L55 HydrophobicContact CE-CG 4.2Å; M30-L55 HydrophobicContact SD-CD1 4.27Å; M30-Y61 HydrophobicContact SD-CE1 4.44Å
31E63.6Low83.8Confident99 Ų9956.7 Ų56.746%0.46330%0.297SS..EExtended strand (participates in β ladder)trans-116.1-9.1-152.1-61.4-170.2175.900116Q95E31-Q95 VanDerWaalsContact CD-CD 3.42Å; E31-Q95 VanDerWaalsContact CD-OE1 3.26Å; E31-Q95 PolarHBondContact OE1-NE2 3.09Å; E31-Q95 PolarHBondContact OE1-OE1 3.21Å; E31-Q95 PolarHBondContact OE2-NE2 2.77Å; E31-Q95 PolarHBondContact OE2-OE1 2.97Å
32E66.2Low83.6Confident183 Ų18352 Ų5286%0.85529%0.29SS*.EExtended strand (participates in β ladder)trans-79-43177.6-65.4-178.1-167.300111.4
33D73Confident83.5Confident55 Ų5557.7 Ų57.729%0.29431%0.31SS..EExtended strand (participates in β ladder)trans-141.3127.6178.6-174.6-28.6000109.6N35 W36D33-N35 PolarHBondContact O-N 2.87Å; D33-N35 VanDerWaalsContact O-N 3.08Å; D33-N35 VanDerWaalsContact OD1-CB 3.3Å; D33-N35 WeakPolarHBondContact OD1-CB 3.48Å; D33-N35 PolarHBondContact OD1-N 2.87Å; D33-N35 PolarHBondContact OD1-ND2 2.7Å; D33-W36 HydrophobicContact CB-CB 4.19Å; D33-W36 CarbonylContact O-C 3.54Å; D33-W36 PolarHBondContact O-N 2.8Å; D33-W36 VanDerWaalsContact O-N 3.08Å
34P74.8Confident83.3Confident99 Ų9962.9 Ų62.964%0.64333%0.331SS*.THydrogen-bonded Turntrans-60.6-17.8176.926-36000114.2A50P34-A50 WeakPolarHBondContact O-CB 3.25Å
35N78.2Confident83.4Confident102 Ų10265.1 Ų65.155%0.54534%0.338SS..THydrogen-bonded Turntrans-92.6-14.5178.5-53-68.9000113D33 P49 A50D33-N35 PolarHBondContact O-N 2.87Å; D33-N35 VanDerWaalsContact O-N 3.08Å; D33-N35 VanDerWaalsContact OD1-CB 3.3Å; D33-N35 WeakPolarHBondContact OD1-CB 3.48Å; D33-N35 PolarHBondContact OD1-N 2.87Å; D33-N35 PolarHBondContact OD1-ND2 2.7Å; N35-P49 CarbonylContact O-C 3.52Å; N35-P49 WeakPolarHBondContact O-CA 3.32Å; N35-A50 WeakPolarHBondContact O-CB 3.34Å; N35-A50 PolarHBondContact O-N 3.35Å
36W84.8Confident83.5Confident73 Ų7365.4 Ų65.428%0.27734%0.341SS..EExtended strand (participates in β ladder)trans-133.7120.8-174.8-68.595.9000111.6F9 E16 D33 M47 V48 P49F9-W36 HydrophobicContact CE1-CZ3 4.37Å; F9-W36 HydrophobicContact CE2-CH2 4.42Å; F9-W36 AromaticContact CZ-CH2 3.85Å; F9-W36 HydrophobicContact CZ-CH2 3.85Å; F9-W36 AromaticContact CZ-CZ3 3.92Å; F9-W36 HydrophobicContact CZ-CZ3 3.92Å; E16-W36 HydrophobicContact CG-CH2 4.17Å; E16-W36 HydrophobicContact CG-CZ3 3.91Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.05Å; D33-W36 HydrophobicContact CB-CB 4.19Å; D33-W36 CarbonylContact O-C 3.54Å; D33-W36 PolarHBondContact O-N 2.8Å; D33-W36 VanDerWaalsContact O-N 3.08Å; W36-M47 HydrophobicContact CB-CE 3.66Å; W36-M47 HydrophobicContact CE3-CB 3.79Å; W36-M47 HydrophobicContact CZ3-CB 4.3Å; W36-V48 WeakPolarHBondContact CA-O 3.4Å; W36-P49 HydrophobicContact CE3-CB 4.47Å; W36-P49 HydrophobicContact CZ3-CB 4.34Å; W36-P49 HydrophobicContact CZ3-CG 4.39Å
37Y87.6Confident83.7Confident30 Ų3064.5 Ų64.512%0.11834%0.339CS..EExtended strand (participates in β ladder)trans-104.9144.2175-59.4-23.2000109.8G29 M30 M47 V48 A50 I53 L55G29-Y37 CarbonylContact O-C 3.57Å; G29-Y37 WeakPolarHBondContact O-CA 3.31Å; M30-Y37 HydrophobicContact CB-CD1 3.9Å; M30-Y37 HydrophobicContact CB-CE1 4Å; M30-Y37 HydrophobicContact CB-CG 4.49Å; M30-Y37 HydrophobicContact CG-CD1 4.01Å; M30-Y37 HydrophobicContact CG-CD2 4.42Å; M30-Y37 HydrophobicContact CG-CE1 4.23Å; M30-Y37 HydrophobicContact CG-CG 4.12Å; Y37-M47 CarbonylContact O-C 3.55Å; Y37-M47 WeakPolarHBondContact O-CA 3.32Å; Y37-V48 PolarHBondContact N-O 2.86Å; Y37-V48 WeakPolarHBondContact O-CG2 3.34Å; Y37-V48 PolarHBondContact O-N 2.86Å; Y37-A50 HydrophobicContact CD1-CB 4.27Å; Y37-A50 HydrophobicContact CD2-CB 3.96Å; Y37-A50 HydrophobicContact CE1-CB 3.9Å; Y37-A50 HydrophobicContact CE2-CB 3.55Å; Y37-A50 HydrophobicContact CG-CB 4.3Å; Y37-I53 HydrophobicContact CD2-CD1 3.68Å; Y37-I53 HydrophobicContact CE2-CD1 4.29Å; Y37-L55 HydrophobicContact CE2-CD1 4.3Å; Y37-L55 HydrophobicContact CE2-CD2 4.43Å
38K89.8Confident84Confident97 Ų9764.5 Ų64.542%0.42234%0.339SS..EExtended strand (participates in β ladder)trans-80.4124.3166.4-165.9-178.7177.31790108V28 G29 E45 M47V28-K38 HydrophobicContact CG2-CB 3.76Å; V28-K38 HydrophobicContact CG2-CD 3.81Å; V28-K38 HydrophobicContact CG2-CG 3.48Å; V28-K38 VanDerWaalsContact CG2-CG 3.48Å; V28-K38 WeakPolarHBondContact CG2-O 3.28Å; V28-K38 PolarHBondContact N-O 3.11Å; G29-K38 PolarHBondContact N-O 2.86Å; G29-K38 VanDerWaalsContact N-O 3.11Å; G29-K38 PolarHBondContact O-N 2.97Å; K38-E45 IonicContact NZ-OE2 3.82Å; K38-M47 HydrophobicContact CB-SD 3.85Å; K38-M47 HydrophobicContact CG-SD 4.16Å
39A91.5Very high84.2Confident0 Ų063.7 Ų63.70%033%0.334CS..EExtended strand (participates in β ladder)trans-133.3167.4-178.800000111.7L17 L25 Y26 I27 E45 G46 V48L17-A39 HydrophobicContact CD2-CB 4.33Å; L17-A39 WeakPolarHBondContact CD2-O 3.41Å; L25-A39 HydrophobicContact CB-CB 4.47Å; Y26-A39 CarbonylContact O-C 3.45Å; Y26-A39 VanDerWaalsContact O-CA 3.31Å; Y26-A39 WeakPolarHBondContact O-CA 3.42Å; I27-A39 HydrophobicContact CD1-CB 3.73Å; A39-E45 VanDerWaalsContact O-CA 3.28Å; A39-E45 WeakPolarHBondContact O-CA 3.42Å; A39-G46 PolarHBondContact N-O 3.33Å; A39-G46 PolarHBondContact O-N 2.76Å; A39-V48 HydrophobicContact CB-CB 4.41Å; A39-V48 HydrophobicContact CB-CG1 3.83Å; A39-V48 HydrophobicContact CB-CG2 3.63Å
40R91.4Very high84.4Confident14 Ų1463.4 Ų63.45%0.05333%0.329CS..EExtended strand (participates in β ladder)trans-126.4138.5176.4-174.9179.162.7156.7-9.4110.9Y26 V28 Q44 E45 K123 G124 D134Y26-R40 PolarHBondContact N-O 3.11Å; Y26-R40 PolarHBondContact O-N 3.34Å; V28-R40 HydrophobicContact CG1-CB 4.41Å; R40-Q44 CarbonylContact C-O 3.58Å; R40-Q44 VanDerWaalsContact CA-O 3.27Å; R40-Q44 WeakPolarHBondContact CA-O 3.31Å; R40-Q44 VanDerWaalsContact CG-O 3.32Å; R40-Q44 WeakPolarHBondContact CG-O 3.21Å; R40-E45 HydrophobicContact CB-CG 3.9Å; R40-E45 HydrophobicContact CG-CG 3.81Å; R40-K123 PolarHBondContact NH1-O 3.22Å; R40-G124 PolarHBondContact NH1-O 2.71Å; R40-G124 PolarHBondContact NH2-O 3.41Å; R40-D134 PolarHBondContact NH2-O 2.78Å
41L91.9Very high84.7Confident46 Ų4668 Ų6824%0.24135%0.354CS..EExtended strand (participates in β ladder)trans-134.5113.1171.3-177.160.8000108.7L17 F19 T24 L25 N43 Q44L17-L41 HydrophobicContact CD1-CB 4.26Å; L17-L41 HydrophobicContact CD2-CB 3.86Å; L17-L41 HydrophobicContact CG-CB 4.35Å; F19-L41 HydrophobicContact CB-CD2 3.83Å; T24-L41 WeakPolarHBondContact O-CD1 3.19Å; L25-L41 HydrophobicContact CD2-CB 3.88Å; L25-L41 HydrophobicContact CD2-CD1 4.19Å; L25-L41 HydrophobicContact CD2-CD2 4.16Å; L25-L41 HydrophobicContact CD2-CG 4.3Å; L41-N43 PolarHBondContact O-N 3.15Å; L41-Q44 PolarHBondContact N-O 2.74Å; L41-Q44 PolarHBondContact O-N 2.91Å; L41-Q44 VanDerWaalsContact O-N 3.1Å
42G86.8Confident85.9Confident50 Ų5067 Ų6752%0.51535%0.347SS..THydrogen-bonded Turntrans59.3-121.7-171.500000111.5
43N85.9Confident86.8Confident167 Ų16758.9 Ų58.989%0.89331%0.309SS*.THydrogen-bonded Turntrans-96.76.2179.6-64.1-22.4000113.4L41L41-N43 PolarHBondContact O-N 3.15Å
44Q90.3Very high87.1Confident135 Ų13558.7 Ų58.763%0.63131%0.312SS*.EExtended strand (participates in β ladder)trans-107137.9-178.6-61.4-175.3-78.800110.1L17 R40 L41L17-Q44 HydrophobicContact CD1-CB 3.55Å; R40-Q44 CarbonylContact C-O 3.58Å; R40-Q44 VanDerWaalsContact CA-O 3.27Å; R40-Q44 WeakPolarHBondContact CA-O 3.31Å; R40-Q44 VanDerWaalsContact CG-O 3.32Å; R40-Q44 WeakPolarHBondContact CG-O 3.21Å; L41-Q44 PolarHBondContact N-O 2.74Å; L41-Q44 PolarHBondContact O-N 2.91Å; L41-Q44 VanDerWaalsContact O-N 3.1Å
45E91.7Very high87.1Confident99 Ų9956.3 Ų56.346%0.46329%0.294SS..EExtended strand (participates in β ladder)trans-119.6149.2170.5-64.4-166.8170.400109.7K38 A39 R40K38-E45 IonicContact NZ-OE2 3.82Å; A39-E45 VanDerWaalsContact O-CA 3.28Å; A39-E45 WeakPolarHBondContact O-CA 3.42Å; R40-E45 HydrophobicContact CB-CG 3.9Å; R40-E45 HydrophobicContact CG-CG 3.81Å
46G93Very high87Confident6 Ų655.4 Ų55.46%0.06228%0.284CS..EExtended strand (participates in β ladder)trans176.1179.6175.400000112.2D15 A39D15-G46 CarbonylContact O-C 3.4Å; D15-G46 WeakPolarHBondContact O-CA 3.48Å; A39-G46 PolarHBondContact N-O 3.33Å; A39-G46 PolarHBondContact O-N 2.76Å
47M93.9Very high86.1Confident30 Ų3057.1 Ų57.115%0.14830%0.304CS..EExtended strand (participates in β ladder)trans-77137179.4-57-55-71.400110.4D15 E16 L17 W36 Y37 K38D15-M47 PolarHBondContact O-N 3.23Å; E16-M47 WeakPolarHBondContact CA-O 3.41Å; E16-M47 HydrophobicContact CG-CB 4.5Å; L17-M47 PolarHBondContact N-O 3.03Å; W36-M47 HydrophobicContact CB-CE 3.66Å; W36-M47 HydrophobicContact CE3-CB 3.79Å; W36-M47 HydrophobicContact CZ3-CB 4.3Å; Y37-M47 CarbonylContact O-C 3.55Å; Y37-M47 WeakPolarHBondContact O-CA 3.32Å; K38-M47 HydrophobicContact CB-SD 3.85Å; K38-M47 HydrophobicContact CG-SD 4.16Å
48V92.9Very high85.5Confident0 Ų056.8 Ų56.80%030%0.303CS..EExtended strand (participates in β ladder)trans-127.6140.8176-58.30000109.9L17 F19 I27 W36 Y37 A39 A50 I53L17-V48 HydrophobicContact CB-CG1 3.86Å; L17-V48 HydrophobicContact CD2-CG1 4.16Å; L17-V48 HydrophobicContact CG-CG1 4.34Å; F19-V48 HydrophobicContact CD1-CG1 3.91Å; F19-V48 HydrophobicContact CE1-CB 3.7Å; F19-V48 HydrophobicContact CE1-CG1 3.54Å; F19-V48 HydrophobicContact CZ-CB 4.4Å; I27-V48 HydrophobicContact CD1-CG2 4.49Å; W36-V48 WeakPolarHBondContact CA-O 3.4Å; Y37-V48 PolarHBondContact N-O 2.86Å; Y37-V48 WeakPolarHBondContact O-CG2 3.34Å; Y37-V48 PolarHBondContact O-N 2.86Å; A39-V48 HydrophobicContact CB-CB 4.41Å; A39-V48 HydrophobicContact CB-CG1 3.83Å; A39-V48 HydrophobicContact CB-CG2 3.63Å; V48-A50 PolarHBondContact O-N 2.84Å; V48-I53 HydrophobicContact CG2-CD1 4.02Å
49P87.9Confident85Confident8 Ų854.9 Ų54.95%0.05230%0.301CS..EExtended strand (participates in β ladder)trans-70.3124.6178.322-26.4000110.5F9 N35 W36 N51 Y52F9-P49 HydrophobicContact CD1-CG 4.4Å; F9-P49 HydrophobicContact CD2-CG 3.7Å; F9-P49 HydrophobicContact CE1-CG 4.44Å; F9-P49 HydrophobicContact CE2-CG 3.76Å; F9-P49 HydrophobicContact CG-CG 4.05Å; F9-P49 HydrophobicContact CZ-CG 4.15Å; N35-P49 CarbonylContact O-C 3.52Å; N35-P49 WeakPolarHBondContact O-CA 3.32Å; W36-P49 HydrophobicContact CE3-CB 4.47Å; W36-P49 HydrophobicContact CZ3-CB 4.34Å; W36-P49 HydrophobicContact CZ3-CG 4.39Å; P49-N51 WeakPolarHBondContact CB-OD1 3.17Å; P49-N51 PolarHBondContact O-N 2.84Å; P49-Y52 HydrophobicContact CB-CD2 3.79Å; P49-Y52 HydrophobicContact CB-CE2 4.4Å; P49-Y52 HydrophobicContact CB-CG 4.28Å; P49-Y52 HydrophobicContact CG-CD1 4.26Å; P49-Y52 HydrophobicContact CG-CD2 3.55Å; P49-Y52 HydrophobicContact CG-CE2 4.16Å; P49-Y52 HydrophobicContact CG-CG 3.62Å; P49-Y52 WeakPolarHBondContact O-CB 3.43Å; P49-Y52 PolarHBondContact O-N 3.43Å
50A84.5Confident84.9Confident17 Ų1755.4 Ų55.414%0.1430%0.303CS..G310 helixtrans-58.2-33.2-17600000112.5P34 N35 Y37 V48 Y52 I53P34-A50 WeakPolarHBondContact O-CB 3.25Å; N35-A50 WeakPolarHBondContact O-CB 3.34Å; N35-A50 PolarHBondContact O-N 3.35Å; Y37-A50 HydrophobicContact CD1-CB 4.27Å; Y37-A50 HydrophobicContact CD2-CB 3.96Å; Y37-A50 HydrophobicContact CE1-CB 3.9Å; Y37-A50 HydrophobicContact CE2-CB 3.55Å; Y37-A50 HydrophobicContact CG-CB 4.3Å; V48-A50 PolarHBondContact O-N 2.84Å; A50-Y52 VanDerWaalsContact C-N 3.27Å; A50-Y52 PolarHBondContact O-N 2.84Å; A50-I53 WeakPolarHBondContact O-CG1 3.39Å; A50-I53 PolarHBondContact O-N 3.48Å
51N79.6Confident84.8Confident117 Ų11755 Ų5563%0.62630%0.301SS*.G310 helixtrans-76.9-6.2178.266.3-37000114.3P49P49-N51 WeakPolarHBondContact CB-OD1 3.17Å; P49-N51 PolarHBondContact O-N 2.84Å
52Y88.7Confident84.5Confident78 Ų7854.1 Ų54.131%0.30630%0.297SS..G310 helixtrans-92.2-7.3175.9-82.4-124.9000112.9N6 Y7 P8 F9 F19 P49 A50N6-Y52 WeakPolarHBondContact CB-O 3.34Å; N6-Y52 PolarHBondContact N-O 2.8Å; Y7-Y52 HydrophobicContact CD2-CD1 4.47Å; Y7-Y52 HydrophobicContact CD2-CG 4.44Å; P8-Y52 WeakPolarHBondContact O-CE1 3.19Å; F9-Y52 HydrophobicContact CB-CD1 3.97Å; F9-Y52 HydrophobicContact CB-CE1 4.31Å; F9-Y52 HydrophobicContact CD2-CD1 4.29Å; F9-Y52 HydrophobicContact CD2-CE1 4.12Å; F19-Y52 HydrophobicContact CE2-CD1 4.42Å; F19-Y52 HydrophobicContact CZ-CD1 4.43Å; P49-Y52 HydrophobicContact CB-CD2 3.79Å; P49-Y52 HydrophobicContact CB-CE2 4.4Å; P49-Y52 HydrophobicContact CB-CG 4.28Å; P49-Y52 HydrophobicContact CG-CD1 4.26Å; P49-Y52 HydrophobicContact CG-CD2 3.55Å; P49-Y52 HydrophobicContact CG-CE2 4.16Å; P49-Y52 HydrophobicContact CG-CG 3.62Å; P49-Y52 WeakPolarHBondContact O-CB 3.43Å; P49-Y52 PolarHBondContact O-N 3.43Å; A50-Y52 VanDerWaalsContact C-N 3.27Å; A50-Y52 PolarHBondContact O-N 2.84Å
53I84.8Confident84Confident13 Ų1352.9 Ų52.97%0.06728%0.28CS..EExtended strand (participates in β ladder)trans-128.3151.2-170.364.8169.5000110.4A3 V4 F19 L25 I27 Y37 V48 A50 L55A3-I53 HydrophobicContact CB-CB 4.27Å; A3-I53 HydrophobicContact CB-CD1 4.01Å; V4-I53 CarbonylContact O-C 3.55Å; V4-I53 VanDerWaalsContact O-CA 3.32Å; V4-I53 WeakPolarHBondContact O-CA 3.47Å; F19-I53 HydrophobicContact CE2-CG2 4.41Å; F19-I53 HydrophobicContact CZ-CG2 4.16Å; L25-I53 HydrophobicContact CD1-CG2 3.47Å; L25-I53 VanDerWaalsContact CD1-CG2 3.47Å; I27-I53 HydrophobicContact CD1-CD1 3.59Å; I27-I53 HydrophobicContact CG1-CD1 4.49Å; Y37-I53 HydrophobicContact CD2-CD1 3.68Å; Y37-I53 HydrophobicContact CE2-CD1 4.29Å; V48-I53 HydrophobicContact CG2-CD1 4.02Å; A50-I53 WeakPolarHBondContact O-CG1 3.39Å; A50-I53 PolarHBondContact O-N 3.48Å; I53-L55 HydrophobicContact CD1-CD2 4.25Å
54S78.2Confident83.6Confident51 Ų5155.5 Ų55.536%0.35728%0.277SS..EExtended strand (participates in β ladder)trans-111.2116.8167.9-60.90000107.9A3 V4 N6A3-S54 CarbonylContact C-O 3.57Å; A3-S54 VanDerWaalsContact CA-O 3.25Å; A3-S54 WeakPolarHBondContact CA-O 3.37Å; V4-S54 PolarHBondContact N-O 3.23Å; V4-S54 PolarHBondContact O-N 3.36Å; N6-S54 VanDerWaalsContact CG-OG 3.25Å; N6-S54 PolarHBondContact ND2-N 3.05Å; N6-S54 PolarHBondContact ND2-OG 2.97Å; N6-S54 PolarHBondContact OD1-OG 3.29Å
55L75.7Confident83.3Confident49 Ų4949.2 Ų49.226%0.25725%0.248SC..EExtended strand (participates in β ladder)trans-66.7137.6173-58.7176.3000109.9A3 I27 M30 Y37 I53 H58A3-L55 HydrophobicContact CB-CD2 3.78Å; I27-L55 HydrophobicContact CD1-CD2 4.31Å; I27-L55 HydrophobicContact CG1-CD2 3.59Å; M30-L55 HydrophobicContact CE-CD1 3.47Å; M30-L55 VanDerWaalsContact CE-CD1 3.47Å; M30-L55 HydrophobicContact CE-CD2 3.61Å; M30-L55 HydrophobicContact CE-CG 4.2Å; M30-L55 HydrophobicContact SD-CD1 4.27Å; Y37-L55 HydrophobicContact CE2-CD1 4.3Å; Y37-L55 HydrophobicContact CE2-CD2 4.43Å; I53-L55 HydrophobicContact CD1-CD2 4.25Å; L55-H58 VanDerWaalsContact CB-NE2 3.27Å; L55-H58 WeakPolarHBondContact CB-NE2 3.43Å
56Y75.3Confident83.1Confident84 Ų8445.9 Ų45.933%0.32924%0.236SC..PPolyproline II helixtrans-66.7150.3171.3-76.6-11.8000111.1E2 V4 H58E2-Y56 HydrophobicContact CB-CD2 3.5Å; E2-Y56 VanDerWaalsContact CB-CD2 3.5Å; E2-Y56 HydrophobicContact CB-CE2 4.09Å; E2-Y56 HydrophobicContact CB-CG 4.21Å; E2-Y56 PolarHBondContact O-N 2.99Å; E2-Y56 VanDerWaalsContact OE2-CD2 3.32Å; E2-Y56 WeakPolarHBondContact OE2-CD2 3.32Å; E2-Y56 WeakPolarHBondContact OE2-CE2 3.27Å; V4-Y56 HydrophobicContact CB-CE1 4.01Å; V4-Y56 HydrophobicContact CG1-CE1 3.97Å; Y56-H58 PolarHBondContact O-CD2 3.45Å; Y56-H58 PolarHBondContact O-N 3.25Å; Y56-H58 PolarHBondContact O-NE2 3.4Å; Y56-H58 VanDerWaalsContact O-NE2 3.11Å
57P67.2Low83Confident109 Ų10947.7 Ų47.771%0.70824%0.241SC*.PPolyproline II helixtrans-52.7128178.6-26.134.4000112P59P57-P59 VanDerWaalsContact C-CD 3.48Å
58H75.3Confident82.8Confident22 Ų2256 Ų5610%0.10227%0.27CS..  trans-128.571.5175.624.756.8000108.7L55 Y56 W60 Y61L55-H58 VanDerWaalsContact CB-NE2 3.27Å; L55-H58 WeakPolarHBondContact CB-NE2 3.43Å; Y56-H58 PolarHBondContact O-CD2 3.45Å; Y56-H58 PolarHBondContact O-N 3.25Å; Y56-H58 PolarHBondContact O-NE2 3.4Å; Y56-H58 VanDerWaalsContact O-NE2 3.11Å; H58-W60 HydrophobicContact CB-CD2 4.32Å; H58-W60 HydrophobicContact CB-CE3 4.26Å; H58-W60 HydrophobicContact CB-CH2 3.93Å; H58-W60 HydrophobicContact CB-CZ2 3.97Å; H58-W60 HydrophobicContact CB-CZ3 4.02Å; H58-W60 PolarHBondContact O-N 3.25Å; H58-W60 VanDerWaalsContact O-N 3.09Å; H58-Y61 PolarHBondContact O-N 3.32Å; H58-Y61 VanDerWaalsContact O-N 3.13Å
59P79.4Confident82.7Confident58 Ų5859 Ų5938%0.37729%0.285SS..THydrogen-bonded Turntrans-66-8.4-179.830-36.8000112.7P57 V168 G169P57-P59 VanDerWaalsContact C-CD 3.48Å; P59-V168 CarbonylContact O-C 3.53Å; P59-V168 WeakPolarHBondContact O-CB 3.44Å; P59-V168 WeakPolarHBondContact O-CG1 3.22Å; P59-G169 PolarHBondContact O-N 2.79Å
60W89.5Confident82.9Confident10 Ų1058.7 Ų58.74%0.03828%0.282CS..THydrogen-bonded Turntrans-100.5-7.717937.6-99000113.1M1 H58 F91 I92 L93 I136 I140M1-W60 HydrophobicContact CG-CH2 4.33Å; H58-W60 HydrophobicContact CB-CD2 4.32Å; H58-W60 HydrophobicContact CB-CE3 4.26Å; H58-W60 HydrophobicContact CB-CH2 3.93Å; H58-W60 HydrophobicContact CB-CZ2 3.97Å; H58-W60 HydrophobicContact CB-CZ3 4.02Å; H58-W60 PolarHBondContact O-N 3.25Å; H58-W60 VanDerWaalsContact O-N 3.09Å; W60-F91 HydrophobicContact CB-CD2 4.14Å; W60-F91 HydrophobicContact CB-CE1 4.27Å; W60-F91 HydrophobicContact CB-CE2 3.35Å; W60-F91 HydrophobicContact CB-CZ 3.4Å; W60-F91 VanDerWaalsContact CB-CZ 3.4Å; W60-F91 AromaticContact CD1-CZ 3.75Å; W60-F91 HydrophobicContact CD2-CE2 4.13Å; W60-F91 HydrophobicContact CD2-CZ 4.32Å; W60-F91 AromaticContact CG-CE2 3.63Å; W60-F91 HydrophobicContact CG-CE2 3.63Å; W60-F91 AromaticContact CG-CZ 3.52Å; W60-F91 HydrophobicContact CG-CZ 3.52Å; W60-I92 WeakPolarHBondContact O-CA 3.31Å; W60-L93 HydrophobicContact CE3-CB 3.5Å; W60-L93 VanDerWaalsContact CE3-CB 3.5Å; W60-L93 HydrophobicContact CE3-CD2 3.95Å; W60-L93 HydrophobicContact CE3-CG 4.3Å; W60-L93 HydrophobicContact CH2-CD2 4.3Å; W60-L93 HydrophobicContact CZ3-CB 3.85Å; W60-L93 HydrophobicContact CZ3-CD2 3.32Å; W60-L93 HydrophobicContact CZ3-CG 4.15Å; W60-L93 PolarHBondContact O-N 2.94Å; W60-I136 HydrophobicContact CH2-CG2 4.15Å; W60-I136 HydrophobicContact CZ3-CG2 4.32Å; W60-I140 HydrophobicContact CD2-CD1 3.48Å; W60-I140 VanDerWaalsContact CD2-CD1 3.48Å; W60-I140 VanDerWaalsContact CE2-CD1 3.46Å; W60-I140 HydrophobicContact CE3-CD1 3.51Å; W60-I140 HydrophobicContact CG-CD1 4.28Å; W60-I140 HydrophobicContact CH2-CD1 3.48Å; W60-I140 VanDerWaalsContact CH2-CD1 3.48Å; W60-I140 HydrophobicContact CZ2-CD1 3.44Å; W60-I140 VanDerWaalsContact CZ2-CD1 3.44Å; W60-I140 HydrophobicContact CZ3-CD1 3.56Å
61Y88.8Confident83.4Confident5 Ų560.5 Ų60.52%0.0229%0.288CS..BIsolated β-bridgetrans-94.5125.4-174-176.6-132.8000112.5M1 M30 H58 P63 L93 F103 G169M1-Y61 HydrophobicContact CE-CD1 4.01Å; M1-Y61 HydrophobicContact CE-CE1 3.42Å; M1-Y61 VanDerWaalsContact CE-CE1 3.42Å; M1-Y61 HydrophobicContact CE-CE2 4.41Å; M1-Y61 HydrophobicContact SD-CD1 3.43Å; M1-Y61 WeakPolarHBondContact SD-CD1 3.48Å; M1-Y61 HydrophobicContact SD-CE1 3.53Å; M1-Y61 VanDerWaalsContact SD-CE1 3.53Å; M1-Y61 HydrophobicContact SD-CG 4.01Å; M30-Y61 HydrophobicContact SD-CE1 4.44Å; H58-Y61 PolarHBondContact O-N 3.32Å; H58-Y61 VanDerWaalsContact O-N 3.13Å; Y61-P63 HydrophobicContact CD1-CG 4.04Å; Y61-P63 HydrophobicContact CE1-CB 3.98Å; Y61-P63 HydrophobicContact CE1-CG 3.48Å; Y61-P63 VanDerWaalsContact CE1-CG 3.48Å; Y61-P63 HydrophobicContact CE2-CB 4.39Å; Y61-P63 WeakPolarHBondContact OH-CB 3.47Å; Y61-L93 WeakPolarHBondContact CA-O 3.24Å; Y61-L93 HydrophobicContact CD2-CB 4.05Å; Y61-L93 HydrophobicContact CD2-CD2 3.67Å; Y61-L93 HydrophobicContact CD2-CG 3.98Å; Y61-L93 WeakPolarHBondContact CD2-O 3.38Å; Y61-L93 HydrophobicContact CE2-CD2 4.14Å; Y61-L93 HydrophobicContact CE2-CG 4.49Å; Y61-L93 HydrophobicContact CG-CD2 4.42Å; Y61-F103 HydrophobicContact CE2-CD1 4.08Å; Y61-F103 AromaticContact CE2-CE1 3.76Å; Y61-F103 HydrophobicContact CE2-CE1 3.76Å; Y61-F103 AromaticContact CZ-CE1 3.91Å; Y61-G169 WeakPolarHBondContact O-CA 3.34Å
62I85.4Confident84.1Confident29 Ų2957.1 Ų57.115%0.14928%0.276CS..  trans-125.7100168.7-51.3179.9000107.6R64 C65 I92 L93 V168I62-R64 PolarHBondContact O-N 3.37Å; I62-C65 HydrophobicContact CB-CB 3.67Å; I62-C65 HydrophobicContact CG2-CB 3.57Å; I62-C65 WeakPolarHBondContact O-CB 3.27Å; I62-C65 PolarHBondContact O-N 2.8Å; I62-I92 HydrophobicContact CB-CG2 4.16Å; I62-I92 HydrophobicContact CD1-CD1 4.16Å; I62-I92 HydrophobicContact CD1-CG1 4.45Å; I62-I92 HydrophobicContact CD1-CG2 3.98Å; I62-I92 HydrophobicContact CG1-CG2 4Å; I62-L93 PolarHBondContact N-O 3.03Å; I62-V168 HydrophobicContact CD1-CB 4.5Å; I62-V168 HydrophobicContact CD1-CG1 3.88Å; I62-V168 HydrophobicContact CD1-CG2 4.35Å; I62-V168 HydrophobicContact CG1-CG1 3.82Å
63P76.8Confident84.4Confident24 Ų2455.3 Ų55.316%0.15627%0.269CS..THydrogen-bonded Turntrans-51.5-54.9-169.8-21.321.9000113.8Y61 C65 Q95 P172Y61-P63 HydrophobicContact CD1-CG 4.04Å; Y61-P63 HydrophobicContact CE1-CB 3.98Å; Y61-P63 HydrophobicContact CE1-CG 3.48Å; Y61-P63 VanDerWaalsContact CE1-CG 3.48Å; Y61-P63 HydrophobicContact CE2-CB 4.39Å; Y61-P63 WeakPolarHBondContact OH-CB 3.47Å; P63-C65 PolarHBondContact O-N 2.9Å; P63-Q95 WeakPolarHBondContact O-CB 3.44Å; P63-Q95 PolarHBondContact O-N 3.15Å; P63-Q95 VanDerWaalsContact O-N 3.15Å; P63-P172 HydrophobicContact CG-CG 4.28Å
64R77.3Confident84.9Confident222 Ų22254.7 Ų54.784%0.83827%0.266SS*.THydrogen-bonded Turntrans-99.428.5-174-63-177.9-70.4177-3113.1I62 S66I62-R64 PolarHBondContact O-N 3.37Å; R64-S66 PolarHBondContact O-N 2.81Å
65C83.8Confident85.8Confident2 Ų255 Ų551%0.01426%0.263CS..  trans-75118.6176.8-170.10000109.8I62 P63 A70 R73 R94I62-C65 HydrophobicContact CB-CB 3.67Å; I62-C65 HydrophobicContact CG2-CB 3.57Å; I62-C65 WeakPolarHBondContact O-CB 3.27Å; I62-C65 PolarHBondContact O-N 2.8Å; P63-C65 PolarHBondContact O-N 2.9Å; C65-A70 PolarHBondContact SG-N 3.1Å; C65-A70 VanDerWaalsContact SG-N 3.44Å; C65-R73 PolarHBondContact SG-NH1 3.23Å; C65-R94 HydrophobicContact CB-CB 3.88Å; C65-R94 WeakPolarHBondContact O-CB 3.25Å; C65-R94 WeakPolarHBondContact O-CD 3.38Å
66S87.7Confident86.8Confident30 Ų3053.5 Ų53.521%0.2126%0.255CS..  trans-68160.1172.560.10000111.8R64 R68 E69 A70 E97R64-S66 PolarHBondContact O-N 2.81Å; S66-R68 PolarHBondContact O-N 3Å; S66-E69 PolarHBondContact N-OE2 3.2Å; S66-E69 PolarHBondContact O-N 3.08Å; S66-E69 WeakPolarHBondContact OG-CB 3.18Å; S66-E69 PolarHBondContact OG-N 2.92Å; S66-A70 WeakPolarHBondContact O-CB 3.3Å; S66-A70 PolarHBondContact O-N 2.72Å; S66-E97 WeakPolarHBondContact CA-OE1 3.17Å; S66-E97 WeakPolarHBondContact CB-OE1 3.5Å
67R89.7Confident87.7Confident43 Ų4352.9 Ų52.916%0.16226%0.26CS..Hα-helixtrans-53.3-45.7171.2-171.9177-178.6-80.5-1.2111A70 E71 E97 H115 Q312R67-A70 WeakPolarHBondContact O-CB 3.37Å; R67-A70 PolarHBondContact O-N 2.86Å; R67-E71 IonicContact CZ-OE1 3.03Å; R67-E71 IonicContact NH1-OE1 2.96Å; R67-E71 PolarHBondContact NH1-OE1 2.86Å; R67-E71 IonicContact NH2-OE1 2.63Å; R67-E71 WeakPolarHBondContact O-CG 3.32Å; R67-E71 PolarHBondContact O-N 3.11Å; R67-E97 VanDerWaalsContact CB-OE2 3.31Å; R67-E97 WeakPolarHBondContact CB-OE2 3.31Å; R67-E97 PolarHBondContact N-OE2 2.95Å; R67-H115 PolarHBondContact NE-CD2 2.93Å; R67-H115 PolarHBondContact NH2-CD2 2.8Å; R67-Q312 PolarHBondContact NH2-O 3.06Å
68R90.8Very high89Confident205 Ų20549 Ų4977%0.77423%0.233SC*.Hα-helixtrans-64.8-39.5179.4-176.8-179.9178.8-173.8-0.1112.7S66 E71 A72S66-R68 PolarHBondContact O-N 3Å; R68-E71 PolarHBondContact O-N 3.44Å; R68-A72 WeakPolarHBondContact O-CB 3.08Å; R68-A72 PolarHBondContact O-N 3.02Å
69E90Very high89.8Confident64 Ų6452.9 Ų52.930%0.29926%0.261SS..Hα-helixtrans-72-36.2178.2-171-172.1173.700111.4S66 A72 R73S66-E69 PolarHBondContact N-OE2 3.2Å; S66-E69 PolarHBondContact O-N 3.08Å; S66-E69 WeakPolarHBondContact OG-CB 3.18Å; S66-E69 PolarHBondContact OG-N 2.92Å; E69-A72 PolarHBondContact O-N 2.91Å; E69-R73 WeakPolarHBondContact O-CG 3.28Å; E69-R73 PolarHBondContact O-N 3.43Å; E69-R73 IonicContact OE1-CZ 3.46Å; E69-R73 IonicContact OE1-NH1 3.21Å; E69-R73 PolarHBondContact OE1-NH1 2.85Å; E69-R73 IonicContact OE1-NH2 3.67Å; E69-R73 PolarHBondContact OE1-NH2 3.04Å; E69-R73 IonicContact OE2-NH1 3.38Å
70A91.8Very high90.4Very high0 Ų056.4 Ų56.40%028%0.276CS..Hα-helixtrans-61.1-45.3171.100000111.1C65 S66 R67 R73 L74 I92C65-A70 PolarHBondContact SG-N 3.1Å; C65-A70 VanDerWaalsContact SG-N 3.44Å; S66-A70 WeakPolarHBondContact O-CB 3.3Å; S66-A70 PolarHBondContact O-N 2.72Å; R67-A70 WeakPolarHBondContact O-CB 3.37Å; R67-A70 PolarHBondContact O-N 2.86Å; A70-R73 PolarHBondContact O-N 3.23Å; A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.46Å; A70-L74 VanDerWaalsContact O-CG 3.29Å; A70-L74 WeakPolarHBondContact O-CG 3.3Å; A70-L74 PolarHBondContact O-N 3.08Å; A70-I92 HydrophobicContact CB-CD1 4.44Å
71E95.8Very high90.7Very high55 Ų5559.8 Ų59.826%0.25730%0.298SS..Hα-helixtrans-56.9-49.7172.9-72.7169.6175.600111.7R67 R68 R73 L74 L75 V113 H115R67-E71 IonicContact CZ-OE1 3.03Å; R67-E71 IonicContact NH1-OE1 2.96Å; R67-E71 PolarHBondContact NH1-OE1 2.86Å; R67-E71 IonicContact NH2-OE1 2.63Å; R67-E71 WeakPolarHBondContact O-CG 3.32Å; R67-E71 PolarHBondContact O-N 3.11Å; R68-E71 PolarHBondContact O-N 3.44Å; E71-R73 VanDerWaalsContact C-N 3.31Å; E71-R73 PolarHBondContact O-N 2.49Å; E71-L74 PolarHBondContact O-N 3Å; E71-L75 VanDerWaalsContact O-CB 3.31Å; E71-L75 WeakPolarHBondContact O-CB 2.87Å; E71-L75 WeakPolarHBondContact O-CG 3.31Å; E71-L75 PolarHBondContact O-N 3.46Å; E71-V113 HydrophobicContact CG-CB 4.12Å; E71-V113 HydrophobicContact CG-CG2 4.35Å; E71-H115 IonicContact OE1-NE2 3.81Å; E71-H115 PolarHBondContact OE1-NE2 2.6Å
72A94.3Very high90.9Very high47 Ų4765.9 Ų65.939%0.38833%0.331SS..Hα-helixtrans-61.4-36.7-179.400000113.4R68 E69 E76 F165R68-A72 WeakPolarHBondContact O-CB 3.08Å; R68-A72 PolarHBondContact O-N 3.02Å; E69-A72 PolarHBondContact O-N 2.91Å; A72-E76 PolarHBondContact O-N 2.77Å; A72-F165 HydrophobicContact CB-CZ 4.03Å; A72-F165 WeakPolarHBondContact O-CE2 3.21Å
73R94.8Very high91.3Very high39 Ų3973.3 Ų73.315%0.14736%0.357CS..Hα-helixtrans-72.3-44176.4-75.7-175.3174110.410.9112.9C65 E69 A70 E71 I92 F165C65-R73 PolarHBondContact SG-NH1 3.23Å; E69-R73 WeakPolarHBondContact O-CG 3.28Å; E69-R73 PolarHBondContact O-N 3.43Å; E69-R73 IonicContact OE1-CZ 3.46Å; E69-R73 IonicContact OE1-NH1 3.21Å; E69-R73 PolarHBondContact OE1-NH1 2.85Å; E69-R73 IonicContact OE1-NH2 3.67Å; E69-R73 PolarHBondContact OE1-NH2 3.04Å; E69-R73 IonicContact OE2-NH1 3.38Å; A70-R73 PolarHBondContact O-N 3.23Å; E71-R73 VanDerWaalsContact C-N 3.31Å; E71-R73 PolarHBondContact O-N 2.49Å; R73-I92 HydrophobicContact CB-CD1 3.8Å; R73-I92 HydrophobicContact CG-CD1 4.46Å; R73-F165 HydrophobicContact CB-CD2 4.42Å; R73-F165 HydrophobicContact CG-CB 4.05Å; R73-F165 HydrophobicContact CG-CD1 3.67Å; R73-F165 HydrophobicContact CG-CD2 3.87Å; R73-F165 HydrophobicContact CG-CE1 3.99Å; R73-F165 HydrophobicContact CG-CE2 4.18Å; R73-F165 HydrophobicContact CG-CG 3.6Å; R73-F165 HydrophobicContact CG-CZ 4.23Å
74L96.4Very high92.3Very high0 Ų075.7 Ų75.70%037%0.369CS..Hα-helixtrans-76.6-28.9-175-71.9171000112.3A70 E71 A90 I92 S106 K108 V113A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.46Å; A70-L74 VanDerWaalsContact O-CG 3.29Å; A70-L74 WeakPolarHBondContact O-CG 3.3Å; A70-L74 PolarHBondContact O-N 3.08Å; E71-L74 PolarHBondContact O-N 3Å; L74-A90 HydrophobicContact CD2-CB 3.96Å; L74-A90 WeakPolarHBondContact CD2-O 3.03Å; L74-I92 HydrophobicContact CD1-CD1 4.39Å; L74-I92 HydrophobicContact CD2-CD1 4.3Å; L74-I92 HydrophobicContact CD2-CG1 4.26Å; L74-I92 HydrophobicContact CG-CD1 3.99Å; L74-I92 HydrophobicContact CG-CG1 4.36Å; L74-S106 WeakPolarHBondContact CD1-O 3.28Å; L74-K108 HydrophobicContact CB-CB 4.23Å; L74-K108 HydrophobicContact CD2-CB 4.37Å; L74-K108 WeakPolarHBondContact O-CD 3.34Å; L74-K108 WeakPolarHBondContact O-CE 3.32Å; L74-V113 HydrophobicContact CB-CG2 3.8Å; L74-V113 HydrophobicContact CD1-CG1 3.7Å; L74-V113 HydrophobicContact CD1-CG2 4.19Å
75L96.9Very high93.2Very high58 Ų5866.8 Ų66.830%0.30434%0.339SS..THydrogen-bonded Turntrans-99.718.2177.5-57.8177.1000112.8E71 T77 K108 V113E71-L75 VanDerWaalsContact O-CB 3.31Å; E71-L75 WeakPolarHBondContact O-CB 2.87Å; E71-L75 WeakPolarHBondContact O-CG 3.31Å; E71-L75 PolarHBondContact O-N 3.46Å; L75-T77 PolarHBondContact O-N 2.81Å; L75-K108 HydrophobicContact CD2-CG 4.32Å; L75-V113 HydrophobicContact CD1-CG2 4.01Å; L75-V113 HydrophobicContact CD2-CG2 3.94Å; L75-V113 HydrophobicContact CG-CG2 3.7Å
76E95Very high93.8Very high18 Ų1867 Ų678%0.08434%0.34CS..  trans-60.7130.9175.3-175.4-173.1-170.900110.6A72 V85 S162 T164 F165A72-E76 PolarHBondContact O-N 2.77Å; E76-V85 HydrophobicContact CB-CB 4.23Å; E76-V85 HydrophobicContact CB-CG2 4.21Å; E76-V85 HydrophobicContact CG-CB 4.26Å; E76-V85 HydrophobicContact CG-CG2 3.74Å; E76-V85 PolarHBondContact O-N 2.96Å; E76-S162 PolarHBondContact OE1-OG 2.83Å; E76-S162 WeakPolarHBondContact OE2-CB 3.47Å; E76-S162 PolarHBondContact OE2-OG 2.9Å; E76-T164 WeakPolarHBondContact OE1-CB 3.5Å; E76-T164 PolarHBondContact OE1-OG1 2.94Å; E76-F165 HydrophobicContact CB-CE2 4.3Å; E76-F165 HydrophobicContact CG-CE2 4.36Å
77T95.8Very high94.2Very high70 Ų7067.8 Ų67.843%0.42934%0.344SS..EExtended strand (participates in β ladder)trans-108.4131.5172.6560000110.1L75 R83L75-T77 PolarHBondContact O-N 2.81Å; T77-R83 CarbonylContact C-O 3.58Å; T77-R83 WeakPolarHBondContact CA-O 3.18Å
78D93.2Very high94.5Very high27 Ų2768.8 Ų68.814%0.14435%0.352CS..EExtended strand (participates in β ladder)trans-67.4123.7174.2175.4-72.4000109D80 T81 N82 R83 V85 K163D78-D80 VanDerWaalsContact C-N 3.26Å; D78-D80 PolarHBondContact O-N 2.85Å; D78-D80 WeakPolarHBondContact OD1-CA 3.45Å; D78-D80 WeakPolarHBondContact OD1-CB 3.28Å; D78-D80 PolarHBondContact OD1-N 3.27Å; D78-T81 WeakPolarHBondContact CB-OG1 3.4Å; D78-T81 PolarHBondContact O-N 3.09Å; D78-T81 PolarHBondContact OD1-N 3.44Å; D78-T81 PolarHBondContact OD1-OG1 2.94Å; D78-T81 VanDerWaalsContact OD1-OG1 3.13Å; D78-N82 VanDerWaalsContact O-CA 3.26Å; D78-N82 WeakPolarHBondContact O-CA 3.48Å; D78-N82 PolarHBondContact O-N 3.26Å; D78-R83 PolarHBondContact N-O 2.73Å; D78-V85 HydrophobicContact CB-CG2 3.98Å; D78-K163 IonicContact OD2-NZ 3.58Å; D78-K163 PolarHBondContact OD2-NZ 2.87Å; D78-K163 VanDerWaalsContact OD2-NZ 3.07Å
79P91.9Very high94.7Very high105 Ų10559 Ų5968%0.68232%0.316SS*.THydrogen-bonded Turntrans-70.1-21.7-172.827.9-35.6000113.6
80D93.8Very high95.1Very high131 Ų13156 Ų5670%0.70130%0.302SS*.THydrogen-bonded Turntrans-81.7-35.8-179-56.1-50.4000110.9D78 K163D78-D80 VanDerWaalsContact C-N 3.26Å; D78-D80 PolarHBondContact O-N 2.85Å; D78-D80 WeakPolarHBondContact OD1-CA 3.45Å; D78-D80 WeakPolarHBondContact OD1-CB 3.28Å; D78-D80 PolarHBondContact OD1-N 3.27Å; D80-K163 IonicContact OD2-NZ 2.74Å; D80-K163 PolarHBondContact OD2-NZ 3.2Å
81T94.7Very high95.3Very high81 Ų8156 Ų5650%0.49730%0.302SS..THydrogen-bonded Turntrans-106.9-14.8-174.763.30000114.4D78 R83D78-T81 WeakPolarHBondContact CB-OG1 3.4Å; D78-T81 PolarHBondContact O-N 3.09Å; D78-T81 PolarHBondContact OD1-N 3.44Å; D78-T81 PolarHBondContact OD1-OG1 2.94Å; D78-T81 VanDerWaalsContact OD1-OG1 3.13Å; T81-R83 PolarHBondContact O-N 2.88Å
82N92.9Very high95.3Very high134 Ų13453.4 Ų53.472%0.71729%0.289SS*.THydrogen-bonded Turntrans53.334.9-172.7-161.362.5000113.1D78D78-N82 VanDerWaalsContact O-CA 3.26Å; D78-N82 WeakPolarHBondContact O-CA 3.48Å; D78-N82 PolarHBondContact O-N 3.26Å
83R94.7Very high95.3Very high184 Ų18451.1 Ų51.169%0.69427%0.271SS*.EExtended strand (participates in β ladder)trans-113151176.8-66.2-178.7-179.3-176.6-0.1110T77 D78 T81 V85T77-R83 CarbonylContact C-O 3.58Å; T77-R83 WeakPolarHBondContact CA-O 3.18Å; D78-R83 PolarHBondContact N-O 2.73Å; T81-R83 PolarHBondContact O-N 2.88Å; R83-V85 PolarHBondContact O-N 3.44Å
84D96.3Very high95Very high75 Ų7550 Ų5040%0.40127%0.267SS..EExtended strand (participates in β ladder)trans-57130.2171.7-59.5-11.4000110.1K108D84-K108 WeakPolarHBondContact OD2-CE 3.33Å; D84-K108 IonicContact OD2-NZ 3.28Å; D84-K108 PolarHBondContact OD2-NZ 3.38Å
85V95.9Very high94.4Very high35 Ų3551.4 Ų51.421%0.21227%0.273CS..SBendtrans-69-46.11741740000109.4E76 D78 R83 V160E76-V85 HydrophobicContact CB-CB 4.23Å; E76-V85 HydrophobicContact CB-CG2 4.21Å; E76-V85 HydrophobicContact CG-CB 4.26Å; E76-V85 HydrophobicContact CG-CG2 3.74Å; E76-V85 PolarHBondContact O-N 2.96Å; D78-V85 HydrophobicContact CB-CG2 3.98Å; R83-V85 PolarHBondContact O-N 3.44Å; V85-V160 HydrophobicContact CG1-CG2 3.85Å; V85-V160 WeakPolarHBondContact O-CG2 3.37Å
86Q96.5Very high93.2Very high7 Ų749.5 Ų49.53%0.03326%0.264CS..SBendtrans-87.9137.2-177.1-60.3-57.1-2700111.5A90 K108 V160Q86-A90 HydrophobicContact CB-CB 3.77Å; Q86-A90 HydrophobicContact CG-CB 4.45Å; Q86-K108 HydrophobicContact CB-CD 3.91Å; Q86-K108 VanDerWaalsContact O-CD 3.27Å; Q86-K108 WeakPolarHBondContact O-CD 3.02Å; Q86-K108 WeakPolarHBondContact O-CE 3.19Å; Q86-V160 PolarHBondContact NE2-O 2.89Å
87P96.2Very high92.1Very high45 Ų4553.6 Ų53.629%0.29228%0.284SS..PPolyproline II helixtrans-73.1157.8173.431.4-36000111.6G89 A90P87-G89 PolarHBondContact O-N 2.63Å; P87-A90 HydrophobicContact CG-CB 4.3Å; P87-A90 WeakPolarHBondContact O-CB 3.49Å; P87-A90 PolarHBondContact O-N 2.9Å
88D96.1Very high90.8Very high64 Ų6454.8 Ų54.834%0.34229%0.288SS..THydrogen-bonded Turntrans-55.6136.8165.8-80.87.8000110.7A90 K108 G110 R157D88-A90 VanDerWaalsContact C-N 3.33Å; D88-K108 IonicContact OD1-NZ 2.71Å; D88-K108 PolarHBondContact OD1-NZ 3.09Å; D88-G110 VanDerWaalsContact CG-N 3.34Å; D88-G110 PolarHBondContact OD1-N 2.92Å; D88-G110 PolarHBondContact OD2-N 3.26Å; D88-R157 PolarHBondContact O-NH1 2.84Å
89G96.7Very high89.7Confident1 Ų155.9 Ų55.91%0.0129%0.293CS..THydrogen-bonded Turntrans88.2-9.5-171.300000114.6P87 F91 K108 L155 L156 R157P87-G89 PolarHBondContact O-N 2.63Å; G89-F91 PolarHBondContact O-N 3.13Å; G89-K108 PolarHBondContact N-O 2.74Å; G89-L155 WeakPolarHBondContact CA-O 3.37Å; G89-L156 CarbonylContact O-C 3.57Å; G89-L156 WeakPolarHBondContact O-CA 3.48Å; G89-R157 PolarHBondContact O-N 2.69Å
90A97Very high88.4Confident0 Ų056 Ų560%029%0.294CS..BIsolated β-bridgetrans-55.6134.7170.500000110.1L74 Q86 P87 D88 V107 K108 R157L74-A90 HydrophobicContact CD2-CB 3.96Å; L74-A90 WeakPolarHBondContact CD2-O 3.03Å; Q86-A90 HydrophobicContact CB-CB 3.77Å; Q86-A90 HydrophobicContact CG-CB 4.45Å; P87-A90 HydrophobicContact CG-CB 4.3Å; P87-A90 WeakPolarHBondContact O-CB 3.49Å; P87-A90 PolarHBondContact O-N 2.9Å; D88-A90 VanDerWaalsContact C-N 3.33Å; A90-V107 CarbonylContact O-C 3.52Å; A90-V107 WeakPolarHBondContact O-CA 3.18Å; A90-K108 HydrophobicContact CB-CB 4.38Å; A90-K108 PolarHBondContact O-N 2.77Å; A90-R157 VanDerWaalsContact CA-O 3.3Å; A90-R157 WeakPolarHBondContact CA-O 3.37Å
91F97.3Very high87.1Confident0 Ų051.4 Ų51.40%028%0.277CS..EExtended strand (participates in β ladder)trans-139.6158.2-175.979-79000114.4W60 G89 I105 S106 V107 I140 L156 R157 C159W60-F91 HydrophobicContact CB-CD2 4.14Å; W60-F91 HydrophobicContact CB-CE1 4.27Å; W60-F91 HydrophobicContact CB-CE2 3.35Å; W60-F91 HydrophobicContact CB-CZ 3.4Å; W60-F91 VanDerWaalsContact CB-CZ 3.4Å; W60-F91 AromaticContact CD1-CZ 3.75Å; W60-F91 HydrophobicContact CD2-CE2 4.13Å; W60-F91 HydrophobicContact CD2-CZ 4.32Å; W60-F91 AromaticContact CG-CE2 3.63Å; W60-F91 HydrophobicContact CG-CE2 3.63Å; W60-F91 AromaticContact CG-CZ 3.52Å; W60-F91 HydrophobicContact CG-CZ 3.52Å; G89-F91 PolarHBondContact O-N 3.13Å; F91-I105 HydrophobicContact CB-CG2 4.08Å; F91-I105 HydrophobicContact CD2-CG2 3.93Å; F91-I105 HydrophobicContact CG-CG2 4.34Å; F91-S106 CarbonylContact C-O 3.49Å; F91-S106 WeakPolarHBondContact CA-O 3.36Å; F91-S106 WeakPolarHBondContact CB-O 3.33Å; F91-V107 HydrophobicContact CB-CB 4.47Å; F91-V107 HydrophobicContact CB-CG1 4.46Å; F91-V107 HydrophobicContact CB-CG2 4.02Å; F91-I140 HydrophobicContact CE1-CG2 4.39Å; F91-I140 HydrophobicContact CE2-CD1 3.86Å; F91-I140 HydrophobicContact CE2-CG1 4.11Å; F91-I140 HydrophobicContact CE2-CG2 4.1Å; F91-I140 HydrophobicContact CZ-CD1 4.32Å; F91-I140 HydrophobicContact CZ-CG1 4.41Å; F91-I140 HydrophobicContact CZ-CG2 3.55Å; F91-L156 HydrophobicContact CB-CD2 3.89Å; F91-L156 HydrophobicContact CD1-CB 3.67Å; F91-L156 HydrophobicContact CD1-CD1 4.38Å; F91-L156 HydrophobicContact CD1-CD2 3.97Å; F91-L156 HydrophobicContact CD1-CG 4.21Å; F91-L156 HydrophobicContact CD2-CD1 4.41Å; F91-L156 HydrophobicContact CE1-CB 3.77Å; F91-L156 HydrophobicContact CE1-CD1 4.42Å; F91-L156 HydrophobicContact CE2-CD1 4.4Å; F91-L156 HydrophobicContact CG-CB 4.38Å; F91-L156 HydrophobicContact CG-CD1 4.4Å; F91-L156 HydrophobicContact CG-CD2 3.87Å; F91-L156 HydrophobicContact CG-CG 4.44Å; F91-L156 HydrophobicContact CZ-CD1 4.43Å; F91-R157 WeakPolarHBondContact CD1-O 3.4Å; F91-R157 WeakPolarHBondContact CE1-O 3.48Å; F91-R157 PolarHBondContact N-O 2.95Å; F91-C159 PolarHBondContact O-SG 2.87Å
92I95.2Very high86.4Confident0 Ų048.6 Ų48.60%026%0.259CS..EExtended strand (participates in β ladder)trans-128.4126.4172.5-64.3169.9000107.8W60 I62 A70 R73 L74 I105 S106 V168W60-I92 WeakPolarHBondContact O-CA 3.31Å; I62-I92 HydrophobicContact CB-CG2 4.16Å; I62-I92 HydrophobicContact CD1-CD1 4.16Å; I62-I92 HydrophobicContact CD1-CG1 4.45Å; I62-I92 HydrophobicContact CD1-CG2 3.98Å; I62-I92 HydrophobicContact CG1-CG2 4Å; A70-I92 HydrophobicContact CB-CD1 4.44Å; R73-I92 HydrophobicContact CB-CD1 3.8Å; R73-I92 HydrophobicContact CG-CD1 4.46Å; L74-I92 HydrophobicContact CD1-CD1 4.39Å; L74-I92 HydrophobicContact CD2-CD1 4.3Å; L74-I92 HydrophobicContact CD2-CG1 4.26Å; L74-I92 HydrophobicContact CG-CD1 3.99Å; L74-I92 HydrophobicContact CG-CG1 4.36Å; I92-I105 WeakPolarHBondContact O-CA 3.4Å; I92-S106 PolarHBondContact N-O 2.9Å; I92-S106 PolarHBondContact O-N 2.88Å; I92-V168 HydrophobicContact CG1-CG1 4.13Å; I92-V168 HydrophobicContact CG1-CG2 4.38Å
93L93.3Very high86.2Confident0 Ų042.7 Ų42.70%023%0.227CC..EExtended strand (participates in β ladder)trans-82130.3160-170.580.3000108.5W60 Y61 I62 F103 S104 I105 I118 I136W60-L93 HydrophobicContact CE3-CB 3.5Å; W60-L93 VanDerWaalsContact CE3-CB 3.5Å; W60-L93 HydrophobicContact CE3-CD2 3.95Å; W60-L93 HydrophobicContact CE3-CG 4.3Å; W60-L93 HydrophobicContact CH2-CD2 4.3Å; W60-L93 HydrophobicContact CZ3-CB 3.85Å; W60-L93 HydrophobicContact CZ3-CD2 3.32Å; W60-L93 HydrophobicContact CZ3-CG 4.15Å; W60-L93 PolarHBondContact O-N 2.94Å; Y61-L93 WeakPolarHBondContact CA-O 3.24Å; Y61-L93 HydrophobicContact CD2-CB 4.05Å; Y61-L93 HydrophobicContact CD2-CD2 3.67Å; Y61-L93 HydrophobicContact CD2-CG 3.98Å; Y61-L93 WeakPolarHBondContact CD2-O 3.38Å; Y61-L93 HydrophobicContact CE2-CD2 4.14Å; Y61-L93 HydrophobicContact CE2-CG 4.49Å; Y61-L93 HydrophobicContact CG-CD2 4.42Å; I62-L93 PolarHBondContact N-O 3.03Å; L93-F103 HydrophobicContact CD1-CB 4.06Å; L93-F103 HydrophobicContact CD2-CD1 3.87Å; L93-F103 HydrophobicContact CD2-CE1 4.45Å; L93-F103 HydrophobicContact CD2-CG 4.43Å; L93-F103 HydrophobicContact CG-CD1 4.24Å; L93-S104 WeakPolarHBondContact CA-O 3.33Å; L93-I105 HydrophobicContact CD1-CD1 4.27Å; L93-I105 HydrophobicContact CD1-CG1 3.47Å; L93-I105 VanDerWaalsContact CD1-CG1 3.47Å; L93-I118 HydrophobicContact CD1-CD1 3.46Å; L93-I118 VanDerWaalsContact CD1-CD1 3.46Å; L93-I136 HydrophobicContact CD1-CG2 4.07Å; L93-I136 HydrophobicContact CD2-CD1 4.23Å; L93-I136 HydrophobicContact CD2-CG2 3.79Å
94R89.7Confident86.1Confident15 Ų1534.3 Ų34.36%0.05720%0.196CC..EExtended strand (participates in β ladder)trans-131.1158.8174.665.5-174.6-16995.2-0.3110.1C65 E97 F103 S104 S106C65-R94 HydrophobicContact CB-CB 3.88Å; C65-R94 WeakPolarHBondContact O-CB 3.25Å; C65-R94 WeakPolarHBondContact O-CD 3.38Å; R94-E97 IonicContact CZ-OE2 3.44Å; R94-E97 IonicContact NH1-OE2 2.77Å; R94-E97 PolarHBondContact NH1-OE2 3.43Å; R94-F103 CarbonylContact O-C 3.53Å; R94-F103 WeakPolarHBondContact O-CA 3.35Å; R94-S104 PolarHBondContact N-O 3.35Å; R94-S104 PolarHBondContact O-N 2.95Å; R94-S106 PolarHBondContact NE-OG 2.86Å
95Q83.2Confident86Confident30 Ų3030.8 Ų30.814%0.1418%0.177CC..EExtended strand (participates in β ladder)trans-71.4150.5163.2-159.4-169.12900109.9E31 P63 Q102E31-Q95 VanDerWaalsContact CD-CD 3.42Å; E31-Q95 VanDerWaalsContact CD-OE1 3.26Å; E31-Q95 PolarHBondContact OE1-NE2 3.09Å; E31-Q95 PolarHBondContact OE1-OE1 3.21Å; E31-Q95 PolarHBondContact OE2-NE2 2.77Å; E31-Q95 PolarHBondContact OE2-OE1 2.97Å; P63-Q95 WeakPolarHBondContact O-CB 3.44Å; P63-Q95 PolarHBondContact O-N 3.15Å; P63-Q95 VanDerWaalsContact O-N 3.15Å; Q95-Q102 CarbonylContact C-O 3.56Å; Q95-Q102 WeakPolarHBondContact CA-O 3.32Å; Q95-Q102 WeakPolarHBondContact CG-O 3.32Å
96S72.7Confident86Confident17 Ų1729.1 Ų29.112%0.11917%0.167CC..  trans-68.8129.6172.2-178.80000110.1N98 D99 Q102S96-N98 VanDerWaalsContact C-N 3.27Å; S96-N98 PolarHBondContact O-N 3.37Å; S96-D99 WeakPolarHBondContact CB-O 3.49Å; S96-D99 PolarHBondContact OG-N 3.43Å; S96-Q102 PolarHBondContact N-O 2.88Å
97E71.4Confident86Confident104 Ų10428.8 Ų28.849%0.48617%0.166SC..SBendtrans-70.1-26.8177.4-70.3164.9111.800112.8S66 R67 R94S66-E97 WeakPolarHBondContact CA-OE1 3.17Å; S66-E97 WeakPolarHBondContact CB-OE1 3.5Å; R67-E97 VanDerWaalsContact CB-OE2 3.31Å; R67-E97 WeakPolarHBondContact CB-OE2 3.31Å; R67-E97 PolarHBondContact N-OE2 2.95Å; R94-E97 IonicContact CZ-OE2 3.44Å; R94-E97 IonicContact NH1-OE2 2.77Å; R94-E97 PolarHBondContact NH1-OE2 3.43Å
98N68.7Low86.1Confident96 Ų9626.7 Ų26.751%0.51315%0.152SC..SBendtrans-105.6-12.5-173.4-61.3-17.2000112.4S96S96-N98 VanDerWaalsContact C-N 3.27Å; S96-N98 PolarHBondContact O-N 3.37Å
99D69.1Low86.1Confident49 Ų4925.1 Ų25.126%0.26214%0.143SC..SBendtrans-13689.8-175.8-162.9-22.6000110.3S96 G101 Q102 R117S96-D99 WeakPolarHBondContact CB-O 3.49Å; S96-D99 PolarHBondContact OG-N 3.43Å; D99-G101 PolarHBondContact O-N 2.82Å; D99-Q102 HydrophobicContact CB-CB 4.04Å; D99-Q102 HydrophobicContact CB-CG 3.66Å; D99-Q102 WeakPolarHBondContact O-CB 3.3Å; D99-Q102 PolarHBondContact O-N 2.87Å; D99-Q102 WeakPolarHBondContact OD1-CG 3.25Å; D99-Q102 WeakPolarHBondContact OD2-CG 3.16Å; D99-R117 IonicContact OD2-CZ 3.38Å; D99-R117 IonicContact OD2-NH1 3.78Å; D99-R117 IonicContact OD2-NH2 2.6Å; D99-R117 PolarHBondContact OD2-NH2 3.34Å
100P65Low85.9Confident109 Ų10926.4 Ų26.471%0.70816%0.156SC*.THydrogen-bonded Turntrans-51.7128.5-178.5-27.635.5000112Q102P100-Q102 VanDerWaalsContact C-N 3.33Å
101G66.5Low85.8Confident33 Ų3331.5 Ų31.534%0.3419%0.191SC..THydrogen-bonded Turntrans86.5-7.2-178.100000115.3D99D99-G101 PolarHBondContact O-N 2.82Å
102Q79.7Confident85.7Confident23 Ų2334.3 Ų34.311%0.10721%0.211CC..  trans-87.6155.6169.9-55.5-56.5-51.500111.4Q95 S96 D99 P100Q95-Q102 CarbonylContact C-O 3.56Å; Q95-Q102 WeakPolarHBondContact CA-O 3.32Å; Q95-Q102 WeakPolarHBondContact CG-O 3.32Å; S96-Q102 PolarHBondContact N-O 2.88Å; D99-Q102 HydrophobicContact CB-CB 4.04Å; D99-Q102 HydrophobicContact CB-CG 3.66Å; D99-Q102 WeakPolarHBondContact O-CB 3.3Å; D99-Q102 PolarHBondContact O-N 2.87Å; D99-Q102 WeakPolarHBondContact OD1-CG 3.25Å; D99-Q102 WeakPolarHBondContact OD2-CG 3.16Å; P100-Q102 VanDerWaalsContact C-N 3.33Å
103F88.6Confident85.8Confident9 Ų935.2 Ų35.24%0.03922%0.216CC..EExtended strand (participates in β ladder)trans-117154.6177.8-65.2-84.4000111.1M1 Y61 L93 R94 I118 I136M1-F103 HydrophobicContact CE-CE1 4.08Å; M1-F103 HydrophobicContact CE-CZ 4.06Å; Y61-F103 HydrophobicContact CE2-CD1 4.08Å; Y61-F103 AromaticContact CE2-CE1 3.76Å; Y61-F103 HydrophobicContact CE2-CE1 3.76Å; Y61-F103 AromaticContact CZ-CE1 3.91Å; L93-F103 HydrophobicContact CD1-CB 4.06Å; L93-F103 HydrophobicContact CD2-CD1 3.87Å; L93-F103 HydrophobicContact CD2-CE1 4.45Å; L93-F103 HydrophobicContact CD2-CG 4.43Å; L93-F103 HydrophobicContact CG-CD1 4.24Å; R94-F103 CarbonylContact O-C 3.53Å; R94-F103 WeakPolarHBondContact O-CA 3.35Å; F103-I118 HydrophobicContact CB-CB 4.28Å; F103-I118 HydrophobicContact CB-CD1 3.99Å; F103-I118 PolarHBondContact O-N 2.73Å; F103-I136 HydrophobicContact CB-CD1 4.19Å; F103-I136 HydrophobicContact CD1-CD1 4.27Å; F103-I136 HydrophobicContact CD2-CD1 3.48Å; F103-I136 VanDerWaalsContact CD2-CD1 3.48Å; F103-I136 HydrophobicContact CE2-CD1 3.86Å; F103-I136 HydrophobicContact CG-CD1 3.71Å; F103-I136 HydrophobicContact CZ-CD1 4.4Å
104S92Very high85.9Confident9 Ų937.1 Ų37.16%0.06323%0.226CC..EExtended strand (participates in β ladder)trans-136.9142.2171.7-57.10000110.7L93 R94 F116L93-S104 WeakPolarHBondContact CA-O 3.33Å; R94-S104 PolarHBondContact N-O 3.35Å; R94-S104 PolarHBondContact O-N 2.95Å; S104-F116 CarbonylContact C-O 3.59Å; S104-F116 WeakPolarHBondContact CA-O 3.28Å
105I94.8Very high86.1Confident0 Ų037.4 Ų37.40%023%0.228CC..EExtended strand (participates in β ladder)trans-100.3119.3171.3-66.8179.9000107.9F91 I92 L93 V107 H115 F116 I118 I128 L139 I140 I148 L156F91-I105 HydrophobicContact CB-CG2 4.08Å; F91-I105 HydrophobicContact CD2-CG2 3.93Å; F91-I105 HydrophobicContact CG-CG2 4.34Å; I92-I105 WeakPolarHBondContact O-CA 3.4Å; L93-I105 HydrophobicContact CD1-CD1 4.27Å; L93-I105 HydrophobicContact CD1-CG1 3.47Å; L93-I105 VanDerWaalsContact CD1-CG1 3.47Å; I105-V107 HydrophobicContact CG2-CG2 3.52Å; I105-H115 CarbonylContact O-C 3.55Å; I105-H115 WeakPolarHBondContact O-CA 3.4Å; I105-F116 HydrophobicContact CB-CB 4.47Å; I105-F116 PolarHBondContact N-O 3.19Å; I105-F116 PolarHBondContact O-N 2.9Å; I105-I118 HydrophobicContact CD1-CD1 3.95Å; I105-I118 HydrophobicContact CD1-CG1 4.38Å; I105-I118 HydrophobicContact CG1-CD1 3.88Å; I105-I118 HydrophobicContact CG1-CG1 4.3Å; I105-I128 HydrophobicContact CD1-CD1 4.26Å; I105-L139 HydrophobicContact CD1-CD2 3.7Å; I105-I140 HydrophobicContact CD1-CG1 4.05Å; I105-I148 HydrophobicContact CG2-CD1 4.2Å; I105-L156 HydrophobicContact CD1-CD1 4.38Å; I105-L156 HydrophobicContact CG2-CD2 4.26Å
106S96.2Very high86.5Confident0 Ų036 Ų360%022%0.222CC..EExtended strand (participates in β ladder)trans-99.2123.5172-50.70000108.5L74 F91 I92 R94 L114 H115L74-S106 WeakPolarHBondContact CD1-O 3.28Å; F91-S106 CarbonylContact C-O 3.49Å; F91-S106 WeakPolarHBondContact CA-O 3.36Å; F91-S106 WeakPolarHBondContact CB-O 3.33Å; I92-S106 PolarHBondContact N-O 2.9Å; I92-S106 PolarHBondContact O-N 2.88Å; R94-S106 PolarHBondContact NE-OG 2.86Å; S106-L114 CarbonylContact C-O 2.98Å; S106-L114 VanDerWaalsContact CA-O 3.26Å; S106-L114 WeakPolarHBondContact CA-O 3.27Å; S106-H115 WeakPolarHBondContact CB-ND1 3.49Å; S106-H115 PolarHBondContact OG-ND1 2.74Å
107V97.4Very high87.4Confident0 Ų038.3 Ų38.30%023%0.228CC..EExtended strand (participates in β ladder)trans-123.8130.9-173.6-167.80000110.2A90 F91 I105 V113 L114 F116 I148 L154 L156A90-V107 CarbonylContact O-C 3.52Å; A90-V107 WeakPolarHBondContact O-CA 3.18Å; F91-V107 HydrophobicContact CB-CB 4.47Å; F91-V107 HydrophobicContact CB-CG1 4.46Å; F91-V107 HydrophobicContact CB-CG2 4.02Å; I105-V107 HydrophobicContact CG2-CG2 3.52Å; V107-V113 CarbonylContact O-C 3.54Å; V107-V113 WeakPolarHBondContact O-CA 3.47Å; V107-L114 PolarHBondContact N-O 3.22Å; V107-L114 PolarHBondContact O-N 2.83Å; V107-F116 HydrophobicContact CB-CE2 4.19Å; V107-F116 HydrophobicContact CG2-CD2 3.82Å; V107-F116 HydrophobicContact CG2-CE2 3.74Å; V107-I148 HydrophobicContact CG2-CD1 4.09Å; V107-L154 HydrophobicContact CB-CD2 4.47Å; V107-L154 HydrophobicContact CG1-CD1 4.46Å; V107-L154 HydrophobicContact CG1-CD2 3.83Å; V107-L154 HydrophobicContact CG1-CG 4.15Å; V107-L156 HydrophobicContact CG1-CD2 4.11Å; V107-L156 HydrophobicContact CG2-CD2 3.65Å
108K97.1Very high88.3Confident2 Ų233.5 Ų33.51%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-72.1131.8172.9-172.1-169.9-175.2-690111.2L74 L75 D84 Q86 D88 G89 A90 G110L74-K108 HydrophobicContact CB-CB 4.23Å; L74-K108 HydrophobicContact CD2-CB 4.37Å; L74-K108 WeakPolarHBondContact O-CD 3.34Å; L74-K108 WeakPolarHBondContact O-CE 3.32Å; L75-K108 HydrophobicContact CD2-CG 4.32Å; D84-K108 WeakPolarHBondContact OD2-CE 3.33Å; D84-K108 IonicContact OD2-NZ 3.28Å; D84-K108 PolarHBondContact OD2-NZ 3.38Å; Q86-K108 HydrophobicContact CB-CD 3.91Å; Q86-K108 VanDerWaalsContact O-CD 3.27Å; Q86-K108 WeakPolarHBondContact O-CD 3.02Å; Q86-K108 WeakPolarHBondContact O-CE 3.19Å; D88-K108 IonicContact OD1-NZ 2.71Å; D88-K108 PolarHBondContact OD1-NZ 3.09Å; G89-K108 PolarHBondContact N-O 2.74Å; A90-K108 HydrophobicContact CB-CB 4.38Å; A90-K108 PolarHBondContact O-N 2.77Å; K108-G110 PolarHBondContact NZ-O 2.74Å
109E95.4Very high89.3Confident31 Ų3132.4 Ų32.415%0.14520%0.196CC..EExtended strand (participates in β ladder)trans-137.6109.8164.6-174.9-179.5-145.200110.7S111 S112 L114 Y149 K152 L154E109-S111 PolarHBondContact O-N 2.85Å; E109-S111 VanDerWaalsContact O-N 3.17Å; E109-S112 PolarHBondContact N-O 2.89Å; E109-S112 PolarHBondContact O-N 3.28Å; E109-L114 HydrophobicContact CB-CD1 4.44Å; E109-Y149 PolarHBondContact OE1-OH 2.89Å; E109-Y149 VanDerWaalsContact OE1-OH 3.11Å; E109-Y149 PolarHBondContact OE2-OH 3.48Å; E109-K152 WeakPolarHBondContact OE1-CD 3.48Å; E109-K152 WeakPolarHBondContact OE1-CE 3.42Å; E109-K152 IonicContact OE1-NZ 3.39Å; E109-K152 PolarHBondContact OE1-NZ 3.3Å; E109-L154 HydrophobicContact CB-CD1 4.36Å; E109-L154 HydrophobicContact CB-CD2 4.24Å; E109-L154 HydrophobicContact CG-CD1 4.43Å
110G94.2Very high90Very high27 Ų2735.7 Ų35.728%0.27821%0.209SC..THydrogen-bonded Turntrans56.2-121.6-176.200000110.7D88 K108D88-G110 VanDerWaalsContact CG-N 3.34Å; D88-G110 PolarHBondContact OD1-N 2.92Å; D88-G110 PolarHBondContact OD2-N 3.26Å; K108-G110 PolarHBondContact NZ-O 2.74Å
111S94.9Very high91Very high107 Ų10731 Ų3175%0.74818%0.178SC*.THydrogen-bonded Turntrans-94.311.7179.4-51.20000113.9E109E109-S111 PolarHBondContact O-N 2.85Å; E109-S111 VanDerWaalsContact O-N 3.17Å
112S95.1Very high91.8Very high60 Ų6036.3 Ų36.342%0.4221%0.206SC..EExtended strand (participates in β ladder)trans-125162.6-176.9-62.20000111.5E109E109-S112 PolarHBondContact N-O 2.89Å; E109-S112 PolarHBondContact O-N 3.28Å
113V96.1Very high92Very high18 Ų1843 Ų4311%0.10923%0.234CC..EExtended strand (participates in β ladder)trans-122.5126.9170.8179.20000109.1E71 L74 L75 V107 H115E71-V113 HydrophobicContact CG-CB 4.12Å; E71-V113 HydrophobicContact CG-CG2 4.35Å; L74-V113 HydrophobicContact CB-CG2 3.8Å; L74-V113 HydrophobicContact CD1-CG1 3.7Å; L74-V113 HydrophobicContact CD1-CG2 4.19Å; L75-V113 HydrophobicContact CD1-CG2 4.01Å; L75-V113 HydrophobicContact CD2-CG2 3.94Å; L75-V113 HydrophobicContact CG-CG2 3.7Å; V107-V113 CarbonylContact O-C 3.54Å; V107-V113 WeakPolarHBondContact O-CA 3.47Å; V113-H115 VanDerWaalsContact CG1-CE1 3.49Å; V113-H115 WeakPolarHBondContact CG1-CE1 3.32Å
114L95.4Very high91.7Very high40 Ų4043 Ų4321%0.20924%0.237CC..EExtended strand (participates in β ladder)trans-92.6144.5173.3-56.1178.1000109.1S106 V107 E109 F116 Y149 L154S106-L114 CarbonylContact C-O 2.98Å; S106-L114 VanDerWaalsContact CA-O 3.26Å; S106-L114 WeakPolarHBondContact CA-O 3.27Å; V107-L114 PolarHBondContact N-O 3.22Å; V107-L114 PolarHBondContact O-N 2.83Å; E109-L114 HydrophobicContact CB-CD1 4.44Å; L114-F116 HydrophobicContact CB-CD2 4.49Å; L114-F116 HydrophobicContact CB-CE2 3.59Å; L114-F116 HydrophobicContact CB-CZ 3.73Å; L114-F116 HydrophobicContact CD1-CE2 4.34Å; L114-F116 HydrophobicContact CD1-CZ 3.9Å; L114-F116 HydrophobicContact CG-CZ 4.48Å; L114-Y149 HydrophobicContact CD1-CD1 3.74Å; L114-Y149 HydrophobicContact CD1-CE1 3.17Å; L114-Y149 HydrophobicContact CD1-CE2 4.19Å; L114-Y149 HydrophobicContact CD1-CG 4.44Å; L114-Y149 VanDerWaalsContact CD1-CZ 3.44Å; L114-L154 HydrophobicContact CD1-CD2 3.98Å
115H93.7Very high91.5Very high21 Ų2145.6 Ų45.610%0.09725%0.248CC..EExtended strand (participates in β ladder)trans-128.691.2-173.2-63.2-79.5000112.9R67 E71 I105 S106 V113 A316R67-H115 PolarHBondContact NE-CD2 2.93Å; R67-H115 PolarHBondContact NH2-CD2 2.8Å; E71-H115 IonicContact OE1-NE2 3.81Å; E71-H115 PolarHBondContact OE1-NE2 2.6Å; I105-H115 CarbonylContact O-C 3.55Å; I105-H115 WeakPolarHBondContact O-CA 3.4Å; S106-H115 WeakPolarHBondContact CB-ND1 3.49Å; S106-H115 PolarHBondContact OG-ND1 2.74Å; V113-H115 VanDerWaalsContact CG1-CE1 3.49Å; V113-H115 WeakPolarHBondContact CG1-CE1 3.32Å; H115-A316 HydrophobicContact CB-CB 4.5Å; H115-A316 VanDerWaalsContact N-CB 3.3Å; H115-A316 WeakPolarHBondContact O-CB 3.41Å
116F93Very high91.3Very high2 Ų246.4 Ų46.41%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-83.9125.3-176.9-56.1-80.2000110.9S104 I105 V107 L114 I128 W129 I148 Y149 A316 T317S104-F116 CarbonylContact C-O 3.59Å; S104-F116 WeakPolarHBondContact CA-O 3.28Å; I105-F116 HydrophobicContact CB-CB 4.47Å; I105-F116 PolarHBondContact N-O 3.19Å; I105-F116 PolarHBondContact O-N 2.9Å; V107-F116 HydrophobicContact CB-CE2 4.19Å; V107-F116 HydrophobicContact CG2-CD2 3.82Å; V107-F116 HydrophobicContact CG2-CE2 3.74Å; L114-F116 HydrophobicContact CB-CD2 4.49Å; L114-F116 HydrophobicContact CB-CE2 3.59Å; L114-F116 HydrophobicContact CB-CZ 3.73Å; L114-F116 HydrophobicContact CD1-CE2 4.34Å; L114-F116 HydrophobicContact CD1-CZ 3.9Å; L114-F116 HydrophobicContact CG-CZ 4.48Å; F116-I128 HydrophobicContact CB-CD1 3.93Å; F116-I128 HydrophobicContact CB-CG1 4.34Å; F116-I128 HydrophobicContact CB-CG2 3.94Å; F116-I128 HydrophobicContact CD1-CG2 4.05Å; F116-I128 HydrophobicContact CG-CG2 4.36Å; F116-W129 HydrophobicContact CE1-CZ2 4.47Å; F116-I148 HydrophobicContact CB-CD1 4.43Å; F116-I148 HydrophobicContact CD1-CG1 4.44Å; F116-I148 HydrophobicContact CD2-CD1 3.49Å; F116-I148 VanDerWaalsContact CD2-CD1 3.49Å; F116-I148 HydrophobicContact CD2-CG1 4.07Å; F116-I148 HydrophobicContact CE2-CD1 3.86Å; F116-I148 HydrophobicContact CE2-CG1 4.13Å; F116-I148 HydrophobicContact CE2-CG2 3.81Å; F116-I148 HydrophobicContact CG-CD1 3.91Å; F116-I148 HydrophobicContact CG-CG1 4.23Å; F116-I148 HydrophobicContact CZ-CG1 4.36Å; F116-I148 HydrophobicContact CZ-CG2 3.89Å; F116-Y149 HydrophobicContact CE1-CG 4.21Å; F116-Y149 AromaticContact CZ-CD1 3.87Å; F116-Y149 HydrophobicContact CZ-CD1 3.87Å; F116-Y149 AromaticContact CZ-CG 3.97Å; F116-Y149 HydrophobicContact CZ-CG 3.97Å; F116-A316 HydrophobicContact CD1-CB 4.01Å; F116-A316 HydrophobicContact CE1-CB 4.1Å; F116-A316 HydrophobicContact CG-CB 4.4Å; F116-T317 WeakPolarHBondContact CD1-O 3.49Å; F116-T317 WeakPolarHBondContact CE1-O 3.47Å
117R90.7Very high91.1Very high64 Ų6449.2 Ų49.224%0.24226%0.262CS..EExtended strand (participates in β ladder)trans-76.4135170.7-176170.3173.2158.30.1109.5D99 F119D99-R117 IonicContact OD2-CZ 3.38Å; D99-R117 IonicContact OD2-NH1 3.78Å; D99-R117 IonicContact OD2-NH2 2.6Å; D99-R117 PolarHBondContact OD2-NH2 3.34Å; R117-F119 HydrophobicContact CB-CE2 4.07Å; R117-F119 HydrophobicContact CB-CZ 4.07Å; R117-F119 HydrophobicContact CG-CE1 4.14Å; R117-F119 HydrophobicContact CG-CE2 4.25Å; R117-F119 HydrophobicContact CG-CZ 4Å
118I91.5Very high90.9Very high3 Ų349.5 Ų49.52%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-92.3119.8169-61.9172.6000107.6L93 F103 I105 Y126 I128 I136 L139L93-I118 HydrophobicContact CD1-CD1 3.46Å; L93-I118 VanDerWaalsContact CD1-CD1 3.46Å; F103-I118 HydrophobicContact CB-CB 4.28Å; F103-I118 HydrophobicContact CB-CD1 3.99Å; F103-I118 PolarHBondContact O-N 2.73Å; I105-I118 HydrophobicContact CD1-CD1 3.95Å; I105-I118 HydrophobicContact CD1-CG1 4.38Å; I105-I118 HydrophobicContact CG1-CD1 3.88Å; I105-I118 HydrophobicContact CG1-CG1 4.3Å; I118-Y126 HydrophobicContact CG2-CD1 3.75Å; I118-Y126 HydrophobicContact CG2-CG 4.36Å; I118-I128 HydrophobicContact CG1-CG1 4.26Å; I118-I136 HydrophobicContact CD1-CD1 4.4Å; I118-I136 HydrophobicContact CD1-CG1 4.3Å; I118-I136 HydrophobicContact CD1-CG2 3.95Å; I118-L139 HydrophobicContact CG1-CD1 4.44Å; I118-L139 HydrophobicContact CG2-CD1 4.15Å
119F89Confident90.5Very high73 Ų7354 Ų5432%0.3228%0.28SS..EExtended strand (participates in β ladder)trans-92.9160.7172.2-60-83.7000110.7R117 Y126 Y127R117-F119 HydrophobicContact CB-CE2 4.07Å; R117-F119 HydrophobicContact CB-CZ 4.07Å; R117-F119 HydrophobicContact CG-CE1 4.14Å; R117-F119 HydrophobicContact CG-CE2 4.25Å; R117-F119 HydrophobicContact CG-CZ 4Å; F119-Y126 CarbonylContact O-C 3.52Å; F119-Y126 VanDerWaalsContact O-CA 3.28Å; F119-Y126 WeakPolarHBondContact O-CA 3.42Å; F119-Y127 HydrophobicContact CB-CD1 4.13Å; F119-Y127 HydrophobicContact CB-CD2 3.92Å; F119-Y127 HydrophobicContact CB-CE1 3.68Å; F119-Y127 HydrophobicContact CB-CE2 3.47Å; F119-Y127 VanDerWaalsContact CB-CE2 3.47Å; F119-Y127 HydrophobicContact CB-CG 4.25Å; F119-Y127 HydrophobicContact CD2-CD2 4.35Å; F119-Y127 HydrophobicContact CD2-CE2 4.06Å; F119-Y127 AromaticContact CG-CE2 3.97Å; F119-Y127 HydrophobicContact CG-CE2 3.97Å; F119-Y127 PolarHBondContact N-O 3.34Å; F119-Y127 PolarHBondContact O-N 3.24Å
120F84.7Confident90.3Very high119 Ų11958.4 Ų58.452%0.52231%0.31SS..EExtended strand (participates in β ladder)trans-125.2136172.466.4-79.2000108.4K125F120-K125 CarbonylContact C-O 3.47Å; F120-K125 WeakPolarHBondContact CA-O 3.33Å
121D85.3Confident90.2Very high11 Ų1160.5 Ų60.56%0.05931%0.314CS..  trans-87.8169.6175.381.3-1.1000111.3K123 G124 K125 Y127 K132D121-K123 PolarHBondContact O-N 3.34Å; D121-K123 VanDerWaalsContact OD1-C 3.27Å; D121-K123 VanDerWaalsContact OD1-CA 3.28Å; D121-K123 WeakPolarHBondContact OD1-CA 3.28Å; D121-K123 WeakPolarHBondContact OD1-CB 3.32Å; D121-K123 PolarHBondContact OD1-N 2.91Å; D121-G124 VanDerWaalsContact O-CA 3.28Å; D121-G124 WeakPolarHBondContact O-CA 3.49Å; D121-G124 PolarHBondContact O-N 2.95Å; D121-G124 PolarHBondContact OD1-N 2.86Å; D121-G124 VanDerWaalsContact OD1-N 3.09Å; D121-K125 PolarHBondContact N-O 2.9Å; D121-K125 PolarHBondContact OD1-N 3.33Å; D121-Y127 HydrophobicContact CB-CD1 4.45Å; D121-Y127 HydrophobicContact CB-CE1 3.86Å; D121-K132 WeakPolarHBondContact OD2-CD 3.4Å; D121-K132 WeakPolarHBondContact OD2-CE 3.18Å; D121-K132 IonicContact OD2-NZ 2.69Å; D121-K132 PolarHBondContact OD2-NZ 2.91Å
122P83Confident90.1Very high143 Ų14360.2 Ų60.293%0.92930%0.3SS*.THydrogen-bonded Turntrans-62.4-10.6177.6-26.336000115.1G124P122-G124 VanDerWaalsContact C-N 3.3Å
123K83.8Confident90Very high163 Ų16358.7 Ų58.771%0.70929%0.285SS*.THydrogen-bonded Turntrans-94.16.6171.7-56.3179.9179.8-179.30111.2R40 D121 K125R40-K123 PolarHBondContact NH1-O 3.22Å; D121-K123 PolarHBondContact O-N 3.34Å; D121-K123 VanDerWaalsContact OD1-C 3.27Å; D121-K123 VanDerWaalsContact OD1-CA 3.28Å; D121-K123 WeakPolarHBondContact OD1-CA 3.28Å; D121-K123 WeakPolarHBondContact OD1-CB 3.32Å; D121-K123 PolarHBondContact OD1-N 2.91Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 2.71Å
124G81.3Confident89.6Confident10 Ų1061.2 Ų61.210%0.10330%0.298CS..  trans67.319.1-177.400000114.8R40 D121 P122R40-G124 PolarHBondContact NH1-O 2.71Å; R40-G124 PolarHBondContact NH2-O 3.41Å; D121-G124 VanDerWaalsContact O-CA 3.28Å; D121-G124 WeakPolarHBondContact O-CA 3.49Å; D121-G124 PolarHBondContact O-N 2.95Å; D121-G124 PolarHBondContact OD1-N 2.86Å; D121-G124 VanDerWaalsContact OD1-N 3.09Å; P122-G124 VanDerWaalsContact C-N 3.3Å
125K88.3Confident89.3Confident64 Ų6459.3 Ų59.328%0.27829%0.288SS..  trans-80.2137.1175.3-67.6-176173.5-80.90110.5F120 D121 K123 K132 F133 D134F120-K125 CarbonylContact C-O 3.47Å; F120-K125 WeakPolarHBondContact CA-O 3.33Å; D121-K125 PolarHBondContact N-O 2.9Å; D121-K125 PolarHBondContact OD1-N 3.33Å; K123-K125 VanDerWaalsContact C-N 3.31Å; K123-K125 PolarHBondContact O-N 2.71Å; K125-K132 HydrophobicContact CB-CB 3.92Å; K125-K132 HydrophobicContact CD-CB 3.99Å; K125-F133 CarbonylContact C-O 3.51Å; K125-F133 VanDerWaalsContact CA-O 3.24Å; K125-F133 WeakPolarHBondContact CA-O 3.48Å; K125-F133 WeakPolarHBondContact CB-O 3.24Å; K125-D134 IonicContact NZ-OD1 2.76Å; K125-D134 PolarHBondContact NZ-OD1 2.92Å; K125-D134 IonicContact NZ-OD2 3.82Å
126Y90.8Very high89.1Confident17 Ų1758.3 Ų58.37%0.06728%0.284CS..EExtended strand (participates in β ladder)trans-84.7140.5178.5-61.7-85.8000111.3V28 I118 F119 K132 F133 I136V28-Y126 WeakPolarHBondContact CG1-OH 3.43Å; I118-Y126 HydrophobicContact CG2-CD1 3.75Å; I118-Y126 HydrophobicContact CG2-CG 4.36Å; F119-Y126 CarbonylContact O-C 3.52Å; F119-Y126 VanDerWaalsContact O-CA 3.28Å; F119-Y126 WeakPolarHBondContact O-CA 3.42Å; Y126-K132 CarbonylContact O-C 3.55Å; Y126-K132 WeakPolarHBondContact O-CA 3.49Å; Y126-F133 PolarHBondContact N-O 2.79Å; Y126-F133 WeakPolarHBondContact O-CD2 3.36Å; Y126-F133 PolarHBondContact O-N 2.99Å; Y126-I136 HydrophobicContact CD1-CD1 4.28Å; Y126-I136 HydrophobicContact CD1-CG1 3.72Å; Y126-I136 HydrophobicContact CD2-CG1 4.38Å; Y126-I136 HydrophobicContact CE1-CD1 4.01Å; Y126-I136 HydrophobicContact CE1-CG1 3.81Å; Y126-I136 HydrophobicContact CE2-CG1 4.49Å; Y126-I136 HydrophobicContact CG-CG1 3.99Å
127Y92.7Very high89Confident59 Ų5959.4 Ų59.423%0.23129%0.29CS..EExtended strand (participates in β ladder)trans-154.7155.5175.362-83.4000111.5F119 D121 W129 N131 K132F119-Y127 HydrophobicContact CB-CD1 4.13Å; F119-Y127 HydrophobicContact CB-CD2 3.92Å; F119-Y127 HydrophobicContact CB-CE1 3.68Å; F119-Y127 HydrophobicContact CB-CE2 3.47Å; F119-Y127 VanDerWaalsContact CB-CE2 3.47Å; F119-Y127 HydrophobicContact CB-CG 4.25Å; F119-Y127 HydrophobicContact CD2-CD2 4.35Å; F119-Y127 HydrophobicContact CD2-CE2 4.06Å; F119-Y127 AromaticContact CG-CE2 3.97Å; F119-Y127 HydrophobicContact CG-CE2 3.97Å; F119-Y127 PolarHBondContact N-O 3.34Å; F119-Y127 PolarHBondContact O-N 3.24Å; D121-Y127 HydrophobicContact CB-CD1 4.45Å; D121-Y127 HydrophobicContact CB-CE1 3.86Å; Y127-W129 WeakPolarHBondContact CD2-O 3.29Å; Y127-N131 WeakPolarHBondContact CB-O 3.5Å; Y127-K132 HydrophobicContact CD1-CG 4.23Å; Y127-K132 HydrophobicContact CG-CG 4.33Å
128I92Very high89.1Confident6 Ų658.1 Ų58.13%0.03129%0.293CS..SBendtrans-100.3-48.4162.5-62.8169000107.8I105 F116 I118 L139 I148 T317I105-I128 HydrophobicContact CD1-CD1 4.26Å; F116-I128 HydrophobicContact CB-CD1 3.93Å; F116-I128 HydrophobicContact CB-CG1 4.34Å; F116-I128 HydrophobicContact CB-CG2 3.94Å; F116-I128 HydrophobicContact CD1-CG2 4.05Å; F116-I128 HydrophobicContact CG-CG2 4.36Å; I118-I128 HydrophobicContact CG1-CG1 4.26Å; I128-L139 HydrophobicContact CD1-CD2 4Å; I128-L139 HydrophobicContact CG1-CD1 4.33Å; I128-L139 HydrophobicContact CG1-CD2 4.43Å; I128-I148 HydrophobicContact CD1-CD1 3.69Å; I128-I148 HydrophobicContact CD1-CG1 3.93Å; I128-T317 WeakPolarHBondContact CG2-OXT 3.47Å
129W90.2Very high89.2Confident96 Ų9658 Ų5836%0.36429%0.292SS..SBendtrans-115.9-127-177-55.7107.9000112.3F116 Y127 I148 T317F116-W129 HydrophobicContact CE1-CZ2 4.47Å; Y127-W129 WeakPolarHBondContact CD2-O 3.29Å; W129-I148 PolarHBondContact NE1-O 3.47Å; W129-T317 HydrophobicContact CH2-CG2 4.44Å; W129-T317 WeakPolarHBondContact CH2-O 3.31Å; W129-T317 WeakPolarHBondContact CH2-OG1 3.41Å; W129-T317 WeakPolarHBondContact CH2-OXT 3.39Å; W129-T317 WeakPolarHBondContact CZ2-O 3.39Å; W129-T317 WeakPolarHBondContact CZ2-OXT 3.45Å; W129-T317 HydrophobicContact CZ3-CG2 4.22Å
130T90.2Very high89.5Confident124 Ų12454.6 Ų54.676%0.76128%0.277SS*.SBendtrans-83-32.7-177.6530000113.3
131N91.6Very high89.9Confident71 Ų7153.2 Ų53.238%0.3828%0.275SS..  trans-77132.7-178.6-63.8-56.6000111.3Y127 F133 Y142Y127-N131 WeakPolarHBondContact CB-O 3.5Å; N131-F133 HydrophobicContact CB-CE2 3.85Å; N131-F133 HydrophobicContact CB-CZ 3.67Å; N131-F133 WeakPolarHBondContact O-CE2 3.47Å; N131-Y142 PolarHBondContact ND2-OH 3.4Å
132K93.8Very high90.4Very high101 Ų10156.3 Ų56.344%0.43929%0.287SS..  trans-119.7134.8-173.3-66.5-176171.6-168.80111.8D121 K125 Y126 Y127D121-K132 WeakPolarHBondContact OD2-CD 3.4Å; D121-K132 WeakPolarHBondContact OD2-CE 3.18Å; D121-K132 IonicContact OD2-NZ 2.69Å; D121-K132 PolarHBondContact OD2-NZ 2.91Å; K125-K132 HydrophobicContact CB-CB 3.92Å; K125-K132 HydrophobicContact CD-CB 3.99Å; Y126-K132 CarbonylContact O-C 3.55Å; Y126-K132 WeakPolarHBondContact O-CA 3.49Å; Y127-K132 HydrophobicContact CD1-CG 4.23Å; Y127-K132 HydrophobicContact CG-CG 4.33Å
133F92.7Very high91Very high27 Ų2749.8 Ų49.812%0.11824%0.244CC..BIsolated β-bridgetrans-126.7150.8-171.3-53.5-82.9000111.8K125 Y126 N131 S135 A138 L139 Y142K125-F133 CarbonylContact C-O 3.51Å; K125-F133 VanDerWaalsContact CA-O 3.24Å; K125-F133 WeakPolarHBondContact CA-O 3.48Å; K125-F133 WeakPolarHBondContact CB-O 3.24Å; Y126-F133 PolarHBondContact N-O 2.79Å; Y126-F133 WeakPolarHBondContact O-CD2 3.36Å; Y126-F133 PolarHBondContact O-N 2.99Å; N131-F133 HydrophobicContact CB-CE2 3.85Å; N131-F133 HydrophobicContact CB-CZ 3.67Å; N131-F133 WeakPolarHBondContact O-CE2 3.47Å; F133-S135 VanDerWaalsContact C-N 3.25Å; F133-S135 PolarHBondContact O-N 2.84Å; F133-A138 HydrophobicContact CB-CB 4.15Å; F133-A138 HydrophobicContact CD1-CB 4.36Å; F133-L139 HydrophobicContact CB-CB 4.04Å; F133-L139 HydrophobicContact CD2-CB 3.5Å; F133-L139 HydrophobicContact CD2-CD1 3.92Å; F133-L139 HydrophobicContact CD2-CG 3.66Å; F133-L139 HydrophobicContact CE2-CB 4.12Å; F133-L139 HydrophobicContact CE2-CD1 4.42Å; F133-L139 HydrophobicContact CE2-CG 3.93Å; F133-L139 HydrophobicContact CG-CB 3.81Å; F133-L139 HydrophobicContact CG-CG 4.46Å; F133-Y142 VanDerWaalsContact CE1-CB 3.44Å; F133-Y142 HydrophobicContact CE1-CD1 4.16Å; F133-Y142 AromaticContact CE1-CD2 3.9Å; F133-Y142 HydrophobicContact CE1-CD2 3.9Å; F133-Y142 AromaticContact CE1-CG 3.57Å; F133-Y142 HydrophobicContact CE1-CG 3.57Å; F133-Y142 HydrophobicContact CE2-CD1 4.41Å; F133-Y142 AromaticContact CZ-CD1 3.49Å; F133-Y142 HydrophobicContact CZ-CD1 3.49Å; F133-Y142 VanDerWaalsContact CZ-CD1 3.49Å; F133-Y142 AromaticContact CZ-CD2 3.99Å; F133-Y142 HydrophobicContact CZ-CD2 3.99Å; F133-Y142 HydrophobicContact CZ-CE1 4.12Å; F133-Y142 AromaticContact CZ-CG 3.4Å; F133-Y142 HydrophobicContact CZ-CG 3.4Å; F133-Y142 VanDerWaalsContact CZ-CG 3.4Å
134D87.7Confident91.6Very high71 Ų7144.9 Ų44.938%0.3822%0.221SC..SBendtrans-74.8-19.5178.8-61.8-48000112.7Y26 R40 K125Y26-D134 HydrophobicContact CE1-CB 4.31Å; R40-D134 PolarHBondContact NH2-O 2.78Å; K125-D134 IonicContact NZ-OD1 2.76Å; K125-D134 PolarHBondContact NZ-OD1 2.92Å; K125-D134 IonicContact NZ-OD2 3.82Å
135S88.8Confident92.2Very high0 Ų051.1 Ų51.10%025%0.247CC..SBendtrans-147.1158.8179.576.80000112E2 F133 N137 A138 L139E2-S135 VanDerWaalsContact OE1-CB 3.24Å; E2-S135 WeakPolarHBondContact OE1-CB 3.45Å; E2-S135 PolarHBondContact OE1-OG 2.91Å; F133-S135 VanDerWaalsContact C-N 3.25Å; F133-S135 PolarHBondContact O-N 2.84Å; S135-N137 PolarHBondContact O-N 2.96Å; S135-N137 PolarHBondContact OG-N 3.47Å; S135-A138 PolarHBondContact O-N 2.84Å; S135-A138 WeakPolarHBondContact OG-CB 3.48Å; S135-A138 PolarHBondContact OG-N 2.77Å; S135-L139 PolarHBondContact O-N 3.44Å
136I90.5Very high92.5Very high0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-62.7-31.6170.1-60173.9000111W60 L93 F103 I118 Y126 L139 I140W60-I136 HydrophobicContact CH2-CG2 4.15Å; W60-I136 HydrophobicContact CZ3-CG2 4.32Å; L93-I136 HydrophobicContact CD1-CG2 4.07Å; L93-I136 HydrophobicContact CD2-CD1 4.23Å; L93-I136 HydrophobicContact CD2-CG2 3.79Å; F103-I136 HydrophobicContact CB-CD1 4.19Å; F103-I136 HydrophobicContact CD1-CD1 4.27Å; F103-I136 HydrophobicContact CD2-CD1 3.48Å; F103-I136 VanDerWaalsContact CD2-CD1 3.48Å; F103-I136 HydrophobicContact CE2-CD1 3.86Å; F103-I136 HydrophobicContact CG-CD1 3.71Å; F103-I136 HydrophobicContact CZ-CD1 4.4Å; I118-I136 HydrophobicContact CD1-CD1 4.4Å; I118-I136 HydrophobicContact CD1-CG1 4.3Å; I118-I136 HydrophobicContact CD1-CG2 3.95Å; Y126-I136 HydrophobicContact CD1-CD1 4.28Å; Y126-I136 HydrophobicContact CD1-CG1 3.72Å; Y126-I136 HydrophobicContact CD2-CG1 4.38Å; Y126-I136 HydrophobicContact CE1-CD1 4.01Å; Y126-I136 HydrophobicContact CE1-CG1 3.81Å; Y126-I136 HydrophobicContact CE2-CG1 4.49Å; Y126-I136 HydrophobicContact CG-CG1 3.99Å; I136-L139 PolarHBondContact O-N 2.85Å; I136-I140 HydrophobicContact CG2-CD1 3.71Å; I136-I140 HydrophobicContact CG2-CG1 4.27Å; I136-I140 WeakPolarHBondContact O-CB 3.31Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.49Å; I136-I140 PolarHBondContact O-N 3.34Å
137N90Very high92.6Very high25 Ų2552.9 Ų52.913%0.13426%0.259CS..Hα-helixtrans-61.9-46.8175.8-65.566.7000111M1 E2 S135 I140 D141M1-N137 VanDerWaalsContact CA-OD1 3.31Å; M1-N137 WeakPolarHBondContact CA-OD1 3.39Å; E2-N137 HydrophobicContact CG-CB 4Å; E2-N137 PolarHBondContact N-OD1 2.99Å; S135-N137 PolarHBondContact O-N 2.96Å; S135-N137 PolarHBondContact OG-N 3.47Å; N137-I140 PolarHBondContact O-N 2.96Å; N137-D141 WeakPolarHBondContact O-CB 3.39Å; N137-D141 PolarHBondContact O-N 3.38Å
138A92.1Very high92.5Very high37 Ų3750.1 Ų50.131%0.30625%0.248SC..Hα-helixtrans-66-38.3176.500000112.4F133 S135 D141 Y142F133-A138 HydrophobicContact CB-CB 4.15Å; F133-A138 HydrophobicContact CD1-CB 4.36Å; S135-A138 PolarHBondContact O-N 2.84Å; S135-A138 WeakPolarHBondContact OG-CB 3.48Å; S135-A138 PolarHBondContact OG-N 2.77Å; A138-D141 PolarHBondContact O-N 2.81Å; A138-Y142 WeakPolarHBondContact O-CB 3.18Å; A138-Y142 PolarHBondContact O-N 2.93Å
139L94.6Very high92.4Very high0 Ų053.1 Ų53.10%026%0.259CS..Hα-helixtrans-59.5-46.2173.3-177.6156.8000111.5I105 I118 I128 F133 S135 I136 H143I105-L139 HydrophobicContact CD1-CD2 3.7Å; I118-L139 HydrophobicContact CG1-CD1 4.44Å; I118-L139 HydrophobicContact CG2-CD1 4.15Å; I128-L139 HydrophobicContact CD1-CD2 4Å; I128-L139 HydrophobicContact CG1-CD1 4.33Å; I128-L139 HydrophobicContact CG1-CD2 4.43Å; F133-L139 HydrophobicContact CB-CB 4.04Å; F133-L139 HydrophobicContact CD2-CB 3.5Å; F133-L139 HydrophobicContact CD2-CD1 3.92Å; F133-L139 HydrophobicContact CD2-CG 3.66Å; F133-L139 HydrophobicContact CE2-CB 4.12Å; F133-L139 HydrophobicContact CE2-CD1 4.42Å; F133-L139 HydrophobicContact CE2-CG 3.93Å; F133-L139 HydrophobicContact CG-CB 3.81Å; F133-L139 HydrophobicContact CG-CG 4.46Å; S135-L139 PolarHBondContact O-N 3.44Å; I136-L139 PolarHBondContact O-N 2.85Å; L139-H143 PolarHBondContact O-CD2 3.36Å; L139-H143 VanDerWaalsContact O-CD2 3.28Å; L139-H143 PolarHBondContact O-N 2.81Å
140I94.4Very high91.9Very high2 Ų251.3 Ų51.31%0.0127%0.271CS..Hα-helixtrans-65.7-46179-74.6167000110.7W60 F91 I105 I136 N137 Y142 H143 R144 L156W60-I140 HydrophobicContact CD2-CD1 3.48Å; W60-I140 VanDerWaalsContact CD2-CD1 3.48Å; W60-I140 VanDerWaalsContact CE2-CD1 3.46Å; W60-I140 HydrophobicContact CE3-CD1 3.51Å; W60-I140 HydrophobicContact CG-CD1 4.28Å; W60-I140 HydrophobicContact CH2-CD1 3.48Å; W60-I140 VanDerWaalsContact CH2-CD1 3.48Å; W60-I140 HydrophobicContact CZ2-CD1 3.44Å; W60-I140 VanDerWaalsContact CZ2-CD1 3.44Å; W60-I140 HydrophobicContact CZ3-CD1 3.56Å; F91-I140 HydrophobicContact CE1-CG2 4.39Å; F91-I140 HydrophobicContact CE2-CD1 3.86Å; F91-I140 HydrophobicContact CE2-CG1 4.11Å; F91-I140 HydrophobicContact CE2-CG2 4.1Å; F91-I140 HydrophobicContact CZ-CD1 4.32Å; F91-I140 HydrophobicContact CZ-CG1 4.41Å; F91-I140 HydrophobicContact CZ-CG2 3.55Å; I105-I140 HydrophobicContact CD1-CG1 4.05Å; I136-I140 HydrophobicContact CG2-CD1 3.71Å; I136-I140 HydrophobicContact CG2-CG1 4.27Å; I136-I140 WeakPolarHBondContact O-CB 3.31Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.49Å; I136-I140 PolarHBondContact O-N 3.34Å; N137-I140 PolarHBondContact O-N 2.96Å; I140-Y142 VanDerWaalsContact C-N 3.3Å; I140-Y142 PolarHBondContact O-N 3.33Å; I140-H143 CarbonylContact O-C 3.47Å; I140-H143 PolarHBondContact O-N 2.66Å; I140-H143 VanDerWaalsContact O-N 3.09Å; I140-R144 WeakPolarHBondContact O-CG 3.43Å; I140-R144 PolarHBondContact O-N 3.42Å; I140-L156 HydrophobicContact CG1-CD1 4.35Å; I140-L156 HydrophobicContact CG2-CD1 4.38Å
141D93.8Very high91.3Very high91 Ų9153 Ų5349%0.48728%0.28SS..Hα-helixtrans-60.9-39.7179.7-172.158.5000112.2N137 A138 H143 R144 H145N137-D141 WeakPolarHBondContact O-CB 3.39Å; N137-D141 PolarHBondContact O-N 3.38Å; A138-D141 PolarHBondContact O-N 2.81Å; D141-H143 PolarHBondContact O-N 2.91Å; D141-R144 WeakPolarHBondContact O-CB 3.47Å; D141-R144 PolarHBondContact O-N 2.96Å; D141-H145 PolarHBondContact O-ND1 3.22Å; D141-H145 IonicContact OD1-CE1 3.96Å
142Y95.8Very high90.8Very high75 Ų7554.8 Ų54.829%0.29429%0.285SS..Hα-helixtrans-57.1-48.5171.4177.6-95.5000111.8N131 F133 A138 I140 R144 H145 Q146N131-Y142 PolarHBondContact ND2-OH 3.4Å; F133-Y142 VanDerWaalsContact CE1-CB 3.44Å; F133-Y142 HydrophobicContact CE1-CD1 4.16Å; F133-Y142 AromaticContact CE1-CD2 3.9Å; F133-Y142 HydrophobicContact CE1-CD2 3.9Å; F133-Y142 AromaticContact CE1-CG 3.57Å; F133-Y142 HydrophobicContact CE1-CG 3.57Å; F133-Y142 HydrophobicContact CE2-CD1 4.41Å; F133-Y142 AromaticContact CZ-CD1 3.49Å; F133-Y142 HydrophobicContact CZ-CD1 3.49Å; F133-Y142 VanDerWaalsContact CZ-CD1 3.49Å; F133-Y142 AromaticContact CZ-CD2 3.99Å; F133-Y142 HydrophobicContact CZ-CD2 3.99Å; F133-Y142 HydrophobicContact CZ-CE1 4.12Å; F133-Y142 AromaticContact CZ-CG 3.4Å; F133-Y142 HydrophobicContact CZ-CG 3.4Å; F133-Y142 VanDerWaalsContact CZ-CG 3.4Å; A138-Y142 WeakPolarHBondContact O-CB 3.18Å; A138-Y142 PolarHBondContact O-N 2.93Å; I140-Y142 VanDerWaalsContact C-N 3.3Å; I140-Y142 PolarHBondContact O-N 3.33Å; Y142-R144 PolarHBondContact O-N 3.32Å; Y142-H145 PolarHBondContact O-N 3.34Å; Y142-Q146 HydrophobicContact CD1-CB 4.15Å; Y142-Q146 HydrophobicContact CE1-CB 3.66Å; Y142-Q146 HydrophobicContact CE1-CG 3.76Å; Y142-Q146 HydrophobicContact CE2-CB 4.32Å; Y142-Q146 PolarHBondContact O-N 2.97Å
143H95.9Very high90.6Very high6 Ų654 Ų543%0.02830%0.297CS..Hα-helixtrans-77.3-2.9-177.9-72.9-61.8000114.9L139 I140 D141 H145 Q146 T147 I148 L156L139-H143 PolarHBondContact O-CD2 3.36Å; L139-H143 VanDerWaalsContact O-CD2 3.28Å; L139-H143 PolarHBondContact O-N 2.81Å; I140-H143 CarbonylContact O-C 3.47Å; I140-H143 PolarHBondContact O-N 2.66Å; I140-H143 VanDerWaalsContact O-N 3.09Å; D141-H143 PolarHBondContact O-N 2.91Å; H143-H145 VanDerWaalsContact C-N 3.28Å; H143-Q146 CarbonylContact C-O 3.52Å; H143-Q146 VanDerWaalsContact CA-O 3.22Å; H143-Q146 WeakPolarHBondContact CA-O 3.42Å; H143-Q146 PolarHBondContact ND1-O 3.06Å; H143-Q146 VanDerWaalsContact O-O 3.11Å; H143-T147 PolarHBondContact ND1-O 2.91Å; H143-I148 WeakPolarHBondContact ND1-CA 3.19Å; H143-L156 HydrophobicContact CB-CD1 3.57Å; H143-L156 HydrophobicContact CB-CG 3.74Å; H143-L156 PolarHBondContact O-N 2.88Å
144R95.4Very high90.6Very high60 Ų6052.9 Ų52.923%0.22629%0.292CS..Hα-helixtrans-74.3-22.2163-69.2177.7-176.2-91.3-3.1112.5I140 D141 Y142 L156 D158I140-R144 WeakPolarHBondContact O-CG 3.43Å; I140-R144 PolarHBondContact O-N 3.42Å; D141-R144 WeakPolarHBondContact O-CB 3.47Å; D141-R144 PolarHBondContact O-N 2.96Å; Y142-R144 PolarHBondContact O-N 3.32Å; R144-L156 HydrophobicContact CG-CB 4.24Å; R144-L156 WeakPolarHBondContact CG-O 3.06Å; R144-D158 IonicContact CZ-OD1 3.83Å; R144-D158 IonicContact CZ-OD2 2.71Å; R144-D158 IonicContact NH1-OD1 3.07Å; R144-D158 IonicContact NH1-OD2 3.69Å; R144-D158 PolarHBondContact NH1-OD2 2.56Å; R144-D158 VanDerWaalsContact NH2-CG 3.28Å; R144-D158 IonicContact NH2-OD1 3.47Å; R144-D158 PolarHBondContact NH2-OD1 2.79Å; R144-D158 IonicContact NH2-OD2 2.66Å; R144-D158 PolarHBondContact NH2-OD2 2.7Å
145H95.4Very high91.1Very high142 Ų14252.1 Ų52.166%0.65729%0.288SS*.Hα-helixtrans-113.5-23-176.2-57.692.5000112.8D141 Y142 H143D141-H145 PolarHBondContact O-ND1 3.22Å; D141-H145 IonicContact OD1-CE1 3.96Å; Y142-H145 PolarHBondContact O-N 3.34Å; H143-H145 VanDerWaalsContact C-N 3.28Å
146Q94Very high91.4Very high95 Ų9552.2 Ų52.244%0.44429%0.288SS..SBendtrans-122.3141.4177.2-175.261.236.700111.2Y142 H143 I148Y142-Q146 HydrophobicContact CD1-CB 4.15Å; Y142-Q146 HydrophobicContact CE1-CB 3.66Å; Y142-Q146 HydrophobicContact CE1-CG 3.76Å; Y142-Q146 HydrophobicContact CE2-CB 4.32Å; Y142-Q146 PolarHBondContact O-N 2.97Å; H143-Q146 CarbonylContact C-O 3.52Å; H143-Q146 VanDerWaalsContact CA-O 3.22Å; H143-Q146 WeakPolarHBondContact CA-O 3.42Å; H143-Q146 PolarHBondContact ND1-O 3.06Å; H143-Q146 VanDerWaalsContact O-O 3.11Å; Q146-I148 PolarHBondContact O-N 3.36Å
147T93.1Very high91.7Very high23 Ų2358.5 Ų58.514%0.14131%0.312CS..  trans-57.5140.7179.5-169.30000112.1H143 Y149 G150 K152 L154H143-T147 PolarHBondContact ND1-O 2.91Å; T147-Y149 PolarHBondContact OG1-O 3.32Å; T147-Y149 VanDerWaalsContact OG1-O 3.06Å; T147-G150 WeakPolarHBondContact CG2-O 3.05Å; T147-K152 WeakPolarHBondContact CB-O 3.4Å; T147-K152 PolarHBondContact OG1-O 2.71Å; T147-L154 PolarHBondContact OG1-N 2.52Å; T147-L154 VanDerWaalsContact OG1-N 3.1Å; T147-L154 PolarHBondContact OG1-O 2.69Å
148I91.3Very high91.8Very high1 Ų160.4 Ų60.41%0.00532%0.322CS..SBendtrans-73.5-28.6178.1-166.5163.8000112.5I105 V107 F116 I128 W129 H143 Q146 L154 L156I105-I148 HydrophobicContact CG2-CD1 4.2Å; V107-I148 HydrophobicContact CG2-CD1 4.09Å; F116-I148 HydrophobicContact CB-CD1 4.43Å; F116-I148 HydrophobicContact CD1-CG1 4.44Å; F116-I148 HydrophobicContact CD2-CD1 3.49Å; F116-I148 VanDerWaalsContact CD2-CD1 3.49Å; F116-I148 HydrophobicContact CD2-CG1 4.07Å; F116-I148 HydrophobicContact CE2-CD1 3.86Å; F116-I148 HydrophobicContact CE2-CG1 4.13Å; F116-I148 HydrophobicContact CE2-CG2 3.81Å; F116-I148 HydrophobicContact CG-CD1 3.91Å; F116-I148 HydrophobicContact CG-CG1 4.23Å; F116-I148 HydrophobicContact CZ-CG1 4.36Å; F116-I148 HydrophobicContact CZ-CG2 3.89Å; I128-I148 HydrophobicContact CD1-CD1 3.69Å; I128-I148 HydrophobicContact CD1-CG1 3.93Å; W129-I148 PolarHBondContact NE1-O 3.47Å; H143-I148 WeakPolarHBondContact ND1-CA 3.19Å; Q146-I148 PolarHBondContact O-N 3.36Å; I148-L154 HydrophobicContact CG2-CB 4.47Å; I148-L154 HydrophobicContact CG2-CD2 4.06Å; I148-L154 HydrophobicContact CG2-CG 4.35Å; I148-L154 PolarHBondContact N-O 2.78Å; I148-L154 VanDerWaalsContact N-O 3.12Å; I148-L156 HydrophobicContact CD1-CD1 4.46Å; I148-L156 HydrophobicContact CD1-CD2 3.94Å; I148-L156 HydrophobicContact CD1-CG 4.47Å
149Y88.7Confident91.9Very high68 Ų6859.7 Ų59.727%0.26732%0.315SS..SBendtrans-154.6157.4178.989.2-71.5000111.8E109 L114 F116 T147 L154E109-Y149 PolarHBondContact OE1-OH 2.89Å; E109-Y149 VanDerWaalsContact OE1-OH 3.11Å; E109-Y149 PolarHBondContact OE2-OH 3.48Å; L114-Y149 HydrophobicContact CD1-CD1 3.74Å; L114-Y149 HydrophobicContact CD1-CE1 3.17Å; L114-Y149 HydrophobicContact CD1-CE2 4.19Å; L114-Y149 HydrophobicContact CD1-CG 4.44Å; L114-Y149 VanDerWaalsContact CD1-CZ 3.44Å; F116-Y149 HydrophobicContact CE1-CG 4.21Å; F116-Y149 AromaticContact CZ-CD1 3.87Å; F116-Y149 HydrophobicContact CZ-CD1 3.87Å; F116-Y149 AromaticContact CZ-CG 3.97Å; F116-Y149 HydrophobicContact CZ-CG 3.97Å; T147-Y149 PolarHBondContact OG1-O 3.32Å; T147-Y149 VanDerWaalsContact OG1-O 3.06Å; Y149-L154 HydrophobicContact CD1-CB 4.39Å; Y149-L154 HydrophobicContact CD1-CD2 3.88Å; Y149-L154 HydrophobicContact CE1-CB 4.18Å; Y149-L154 HydrophobicContact CE1-CD2 3.51Å; Y149-L154 HydrophobicContact CE1-CG 4.47Å
150G81.2Confident91.8Very high59 Ų5962.8 Ų62.861%0.60833%0.334SS*.SBendtrans59.5-159.2172.700000114.8T147T147-G150 WeakPolarHBondContact CG2-O 3.05Å
151V76.1Confident91.4Very high158 Ų15866.7 Ų66.796%0.95836%0.361SS*.SBendtrans-99.6-13.9179.9-650000113.3
152K82.8Confident91.1Very high110 Ų11062.9 Ų62.948%0.47834%0.342SS..SBendtrans-76.7142.6177.1-175.1179.1169.3-164.30109.1E109 T147 L154E109-K152 WeakPolarHBondContact OE1-CD 3.48Å; E109-K152 WeakPolarHBondContact OE1-CE 3.42Å; E109-K152 IonicContact OE1-NZ 3.39Å; E109-K152 PolarHBondContact OE1-NZ 3.3Å; T147-K152 WeakPolarHBondContact CB-O 3.4Å; T147-K152 PolarHBondContact OG1-O 2.71Å; K152-L154 PolarHBondContact O-N 2.85Å
153A88.8Confident90.5Very high84 Ų8466.9 Ų66.969%0.69436%0.36SS*.  trans-74.187.6176.400000111.1
154L93.4Very high89.8Confident4 Ų471.4 Ų71.42%0.02139%0.389CS..  trans-108.189.1168.8-170.669.5000109.1V107 E109 L114 T147 I148 Y149 K152V107-L154 HydrophobicContact CB-CD2 4.47Å; V107-L154 HydrophobicContact CG1-CD1 4.46Å; V107-L154 HydrophobicContact CG1-CD2 3.83Å; V107-L154 HydrophobicContact CG1-CG 4.15Å; E109-L154 HydrophobicContact CB-CD1 4.36Å; E109-L154 HydrophobicContact CB-CD2 4.24Å; E109-L154 HydrophobicContact CG-CD1 4.43Å; L114-L154 HydrophobicContact CD1-CD2 3.98Å; T147-L154 PolarHBondContact OG1-N 2.52Å; T147-L154 VanDerWaalsContact OG1-N 3.1Å; T147-L154 PolarHBondContact OG1-O 2.69Å; I148-L154 HydrophobicContact CG2-CB 4.47Å; I148-L154 HydrophobicContact CG2-CD2 4.06Å; I148-L154 HydrophobicContact CG2-CG 4.35Å; I148-L154 PolarHBondContact N-O 2.78Å; I148-L154 VanDerWaalsContact N-O 3.12Å; Y149-L154 HydrophobicContact CD1-CB 4.39Å; Y149-L154 HydrophobicContact CD1-CD2 3.88Å; Y149-L154 HydrophobicContact CE1-CB 4.18Å; Y149-L154 HydrophobicContact CE1-CD2 3.51Å; Y149-L154 HydrophobicContact CE1-CG 4.47Å; K152-L154 PolarHBondContact O-N 2.85Å
155L96.4Very high89.1Confident54 Ų5472.2 Ų72.228%0.28339%0.394SS..  trans-90142178.6-56.9180000110.3G89G89-L155 WeakPolarHBondContact CA-O 3.37Å
156L96.9Very high88.3Confident3 Ų367 Ų672%0.01638%0.379CS..  trans-66.5134.4176.3-65.3-172.6000111.3G89 F91 I105 V107 I140 H143 R144 I148G89-L156 CarbonylContact O-C 3.57Å; G89-L156 WeakPolarHBondContact O-CA 3.48Å; F91-L156 HydrophobicContact CB-CD2 3.89Å; F91-L156 HydrophobicContact CD1-CB 3.67Å; F91-L156 HydrophobicContact CD1-CD1 4.38Å; F91-L156 HydrophobicContact CD1-CD2 3.97Å; F91-L156 HydrophobicContact CD1-CG 4.21Å; F91-L156 HydrophobicContact CD2-CD1 4.41Å; F91-L156 HydrophobicContact CE1-CB 3.77Å; F91-L156 HydrophobicContact CE1-CD1 4.42Å; F91-L156 HydrophobicContact CE2-CD1 4.4Å; F91-L156 HydrophobicContact CG-CB 4.38Å; F91-L156 HydrophobicContact CG-CD1 4.4Å; F91-L156 HydrophobicContact CG-CD2 3.87Å; F91-L156 HydrophobicContact CG-CG 4.44Å; F91-L156 HydrophobicContact CZ-CD1 4.43Å; I105-L156 HydrophobicContact CD1-CD1 4.38Å; I105-L156 HydrophobicContact CG2-CD2 4.26Å; V107-L156 HydrophobicContact CG1-CD2 4.11Å; V107-L156 HydrophobicContact CG2-CD2 3.65Å; I140-L156 HydrophobicContact CG1-CD1 4.35Å; I140-L156 HydrophobicContact CG2-CD1 4.38Å; H143-L156 HydrophobicContact CB-CD1 3.57Å; H143-L156 HydrophobicContact CB-CG 3.74Å; H143-L156 PolarHBondContact O-N 2.88Å; R144-L156 HydrophobicContact CG-CB 4.24Å; R144-L156 WeakPolarHBondContact CG-O 3.06Å; I148-L156 HydrophobicContact CD1-CD1 4.46Å; I148-L156 HydrophobicContact CD1-CD2 3.94Å; I148-L156 HydrophobicContact CD1-CG 4.47Å
157R95.3Very high87.3Confident132 Ų13266 Ų6650%0.49838%0.382SS..BIsolated β-bridgetrans-134142.5178.1-63.6-178.8177.4169.5-3.9110D88 G89 A90 F91D88-R157 PolarHBondContact O-NH1 2.84Å; G89-R157 PolarHBondContact O-N 2.69Å; A90-R157 VanDerWaalsContact CA-O 3.3Å; A90-R157 WeakPolarHBondContact CA-O 3.37Å; F91-R157 WeakPolarHBondContact CD1-O 3.4Å; F91-R157 WeakPolarHBondContact CE1-O 3.48Å; F91-R157 PolarHBondContact N-O 2.95Å
158D93.2Very high86.1Confident65 Ų6565.7 Ų65.735%0.34838%0.38SS..PPolyproline II helixtrans-62.9143.3174-65.2-54.6000110.3R144R144-D158 IonicContact CZ-OD1 3.83Å; R144-D158 IonicContact CZ-OD2 2.71Å; R144-D158 IonicContact NH1-OD1 3.07Å; R144-D158 IonicContact NH1-OD2 3.69Å; R144-D158 PolarHBondContact NH1-OD2 2.56Å; R144-D158 VanDerWaalsContact NH2-CG 3.28Å; R144-D158 IonicContact NH2-OD1 3.47Å; R144-D158 PolarHBondContact NH2-OD1 2.79Å; R144-D158 IonicContact NH2-OD2 2.66Å; R144-D158 PolarHBondContact NH2-OD2 2.7Å
159C93.3Very high84.6Confident22 Ų2266.7 Ų66.715%0.14939%0.391CS..PPolyproline II helixtrans-63141.4172.7-69.80000110.1F91 V168F91-C159 PolarHBondContact O-SG 2.87Å; C159-V168 HydrophobicContact CB-CB 3.96Å; C159-V168 HydrophobicContact CB-CG2 3.44Å; C159-V168 VanDerWaalsContact CB-CG2 3.44Å
160V92.2Very high82.5Confident65 Ų6568.6 Ų68.639%0.39441%0.414SS..PPolyproline II helixtrans-77.4154.3168.1-590000109.7V85 Q86 S162V85-V160 HydrophobicContact CG1-CG2 3.85Å; V85-V160 WeakPolarHBondContact O-CG2 3.37Å; Q86-V160 PolarHBondContact NE2-O 2.89Å; V160-S162 PolarHBondContact O-N 2.95Å
161S87.7Confident80.4Confident84 Ų8467 Ų6759%0.58740%0.398SS*.PPolyproline II helixtrans-65.5129.8179.3-670000110.9S167S161-S167 PolarHBondContact OG-OG 2.98Å
162S86Confident78.2Confident11 Ų1162.6 Ų62.68%0.07737%0.372CS..BIsolated β-bridgetrans-93.8144.1179.3167.10000111.2E76 V160 T164 F165 G166E76-S162 PolarHBondContact OE1-OG 2.83Å; E76-S162 WeakPolarHBondContact OE2-CB 3.47Å; E76-S162 PolarHBondContact OE2-OG 2.9Å; V160-S162 PolarHBondContact O-N 2.95Å; S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact OG-N 2.77Å; S162-F165 PolarHBondContact OG-N 3.19Å; S162-G166 WeakPolarHBondContact CB-O 3.22Å; S162-G166 PolarHBondContact N-O 2.76Å; S162-G166 WeakPolarHBondContact O-CA 3.5Å; S162-G166 PolarHBondContact O-N 2.85Å
163K82.9Confident75.8Confident159 Ų15964.1 Ų64.169%0.69139%0.386SS*.THydrogen-bonded Turntrans-69.2-34.8168.3-66.9173.5-176159.10111.3D78 D80D78-K163 IonicContact OD2-NZ 3.58Å; D78-K163 PolarHBondContact OD2-NZ 2.87Å; D78-K163 VanDerWaalsContact OD2-NZ 3.07Å; D80-K163 IonicContact OD2-NZ 2.74Å; D80-K163 PolarHBondContact OD2-NZ 3.2Å
164T82Confident73.1Confident101 Ų10165.5 Ų65.562%0.6239%0.386SS*.THydrogen-bonded Turntrans-84.3-44.8-174.8-49.50000112.2E76 S162E76-T164 WeakPolarHBondContact OE1-CB 3.5Å; E76-T164 PolarHBondContact OE1-OG1 2.94Å; S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact OG-N 2.77Å
165F81.2Confident69.8Low76 Ų7670.2 Ų70.233%0.33341%0.414SS..THydrogen-bonded Turntrans-106.5-7.7-172.5-62-76.1000113.9A72 R73 E76 S162A72-F165 HydrophobicContact CB-CZ 4.03Å; A72-F165 WeakPolarHBondContact O-CE2 3.21Å; R73-F165 HydrophobicContact CB-CD2 4.42Å; R73-F165 HydrophobicContact CG-CB 4.05Å; R73-F165 HydrophobicContact CG-CD1 3.67Å; R73-F165 HydrophobicContact CG-CD2 3.87Å; R73-F165 HydrophobicContact CG-CE1 3.99Å; R73-F165 HydrophobicContact CG-CE2 4.18Å; R73-F165 HydrophobicContact CG-CG 3.6Å; R73-F165 HydrophobicContact CG-CZ 4.23Å; E76-F165 HydrophobicContact CB-CE2 4.3Å; E76-F165 HydrophobicContact CG-CE2 4.36Å; S162-F165 PolarHBondContact OG-N 3.19Å
166G77.4Confident66.4Low34 Ų3476.2 Ų76.235%0.35144%0.438SS..BIsolated β-bridgetrans72.4-158.6-172.400000112.7S162S162-G166 WeakPolarHBondContact CB-O 3.22Å; S162-G166 PolarHBondContact N-O 2.76Å; S162-G166 WeakPolarHBondContact O-CA 3.5Å; S162-G166 PolarHBondContact O-N 2.85Å
167S72.6Confident63Low72 Ų7282.9 Ų82.950%0.50347%0.474SS..  trans-80.4141.8174.9-52.40000110.8S161S161-S167 PolarHBondContact OG-OG 2.98Å
168V69.5Low59.5Low17 Ų1781.4 Ų81.410%0.10348%0.484CS..SBendtrans-69142.2166.4179.50000108P59 I62 I92 C159P59-V168 CarbonylContact O-C 3.53Å; P59-V168 WeakPolarHBondContact O-CB 3.44Å; P59-V168 WeakPolarHBondContact O-CG1 3.22Å; I62-V168 HydrophobicContact CD1-CB 4.5Å; I62-V168 HydrophobicContact CD1-CG1 3.88Å; I62-V168 HydrophobicContact CD1-CG2 4.35Å; I62-V168 HydrophobicContact CG1-CG1 3.82Å; I92-V168 HydrophobicContact CG1-CG1 4.13Å; I92-V168 HydrophobicContact CG1-CG2 4.38Å; C159-V168 HydrophobicContact CB-CB 3.96Å; C159-V168 HydrophobicContact CB-CG2 3.44Å; C159-V168 VanDerWaalsContact CB-CG2 3.44Å
169G59.3Low56.5Low23 Ų2383.6 Ų83.624%0.23750%0.502CS..  trans71.889.3176.600000113.9P59 Y61P59-G169 PolarHBondContact O-N 2.79Å; Y61-G169 WeakPolarHBondContact O-CA 3.34Å
170S44.5Very low53.5Low108 Ų10887.6 Ų87.676%0.75553%0.53SS*.  trans-113.2-1.3161.8-56.40000112.9
171G37.3Very low50.4Low26 Ų2691.1 Ų91.127%0.26855%0.545SS..  trans59.4155.4-172.100000112.8N173G171-N173 PolarHBondContact O-N 3.14Å
172P30.4Very low47.7Very low64 Ų6496.1 Ų96.142%0.41656%0.559SS.*SBendtrans-73.5114.5162.628.9-26000108P63P63-P172 HydrophobicContact CG-CG 4.28Å
173N31.7Very low44.9Very low142 Ų142100.8 Ų100.876%0.75959%0.587SS**  trans57.370.9161.3-60.5-46.2000118.4G171 V175G171-N173 PolarHBondContact O-N 3.14Å; N173-V175 PolarHBondContact O-N 2.93Å; N173-V175 VanDerWaalsContact O-N 3.15Å
174V31.3Very low42.4Very low114 Ų114101.2 Ų101.269%0.69160%0.597SS**  trans-83.372.8150.1-170.40000108.3F176V174-F176 HydrophobicContact CG1-CD2 3.78Å; V174-F176 HydrophobicContact CG1-CE2 3.53Å; V174-F176 HydrophobicContact CG1-CG 4.47Å; V174-F176 HydrophobicContact CG1-CZ 4.03Å
175V24.6Very low39.8Very low102 Ų102101.6 Ų101.662%0.61860%0.599SS**  trans-85.3106.4158.1-178.30000105.3N173 N177N173-V175 PolarHBondContact O-N 2.93Å; N173-V175 VanDerWaalsContact O-N 3.15Å; V175-N177 PolarHBondContact O-N 3.11Å
176F25.7Very low37.5Very low181 Ų181103.5 Ų103.579%0.79462%0.617SS**  trans-64.484.8168.3-78.3-84.9000108.5V174 S178V174-F176 HydrophobicContact CG1-CD2 3.78Å; V174-F176 HydrophobicContact CG1-CE2 3.53Å; V174-F176 HydrophobicContact CG1-CG 4.47Å; V174-F176 HydrophobicContact CG1-CZ 4.03Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 3.35Å
177N24.4Very low35.4Very low142 Ų142109 Ų10976%0.75964%0.639SS**  trans-73.794.8160.8-9512.8000107.1V175 P179V175-N177 PolarHBondContact O-N 3.11Å; N177-P179 VanDerWaalsContact O-CD 3.26Å; N177-P179 WeakPolarHBondContact O-CD 3.3Å
178S23.1Very low33.5Very low101 Ų101115.5 Ų115.571%0.70666%0.658SS**  trans-50.5115.7164.2-65.60000109.2F176 S180F176-S178 VanDerWaalsContact C-N 3.3Å; F176-S178 PolarHBondContact O-N 3.35Å; S178-S180 PolarHBondContact O-N 3.36Å
179P29.9Very low31.8Very low111 Ų111118.2 Ų118.272%0.72169%0.689SS**  trans-81.892.9173.124-14.8000108N177 I181N177-P179 VanDerWaalsContact O-CD 3.26Å; N177-P179 WeakPolarHBondContact O-CD 3.3Å; P179-I181 VanDerWaalsContact C-N 3.34Å; P179-I181 PolarHBondContact O-N 2.7Å
180S29.6Very low30.6Very low107 Ų107122.4 Ų122.475%0.74872%0.715SS**  trans-63.1100.5156.3-67.50000108.2S178S178-S180 PolarHBondContact O-N 3.36Å
181I28.3Very low30.3Very low138 Ų138126.5 Ų126.571%0.70872%0.722SS**  trans25104.6140.7-52.4170000114.4P179P179-I181 VanDerWaalsContact C-N 3.34Å; P179-I181 PolarHBondContact O-N 2.7Å
182H30.7Very low30.3Very low189 Ų189129.9 Ų129.988%0.87574%0.739SS**  trans-148.1100.1138.7-81.3-59.2000110.1
183T25.8Very low30.5Very low110 Ų110135.2 Ų135.268%0.67576%0.758SS**  trans-56.4138.3162.849.90000110.8
184N30.9Very low30.5Very low168 Ų168134 Ų13490%0.89876%0.757SS**  trans-158147.6137.4-101.3-15.7000113
185T28.4Very low30.6Very low109 Ų109134.2 Ų134.267%0.66976%0.758SS**  trans-108.5160.6-151.9-54.20000110.7
186T31.3Very low30.8Very low116 Ų116136 Ų13671%0.71277%0.769SS**  trans76113.6150.438.50000122.4
187N33.6Very low31.1Very low150 Ų150131.2 Ų131.280%0.80277%0.771SS**  176.4111.3103-102.1-18.6000109.7
188K33.8Very low31.3Very low208 Ų208129.2 Ų129.290%0.90477%0.768SS**  59.4114.984.6-92.1-166.2-180-179.20117.4
189G32.3Very low31.8Very low74 Ų74133.6 Ų133.676%0.76378%0.777SS**  trans131135.3156.400000112.5
190S35.3Very low31.7Very low111 Ų111135.1 Ų135.178%0.77678%0.778SS**  cis178.4119.5-15.237.70000107.6
191H38.2Very low31.8Very low193 Ų193138.5 Ų138.589%0.89478%0.782SS**  trans53.5157.4144.4-86.7-56.1000124.3
192P38.1Very low31.7Very low98 Ų98137.8 Ų137.864%0.63678%0.784SS**  trans-135.4-163-13634.7-8.1000115.6
193Q32.6Very low31.8Very low175 Ų175138.2 Ų138.282%0.81878%0.783SS**  trans78.4140.1167-62.5-177.4-4.100115.6
194T31.6Very low31.8Very low118 Ų118141 Ų14172%0.72479%0.788SS**  cis-173.6155.339.9-20.10000111.7
195T33.9Very low31.8Very low117 Ų117140.7 Ų140.772%0.71878%0.782SS**  trans85.1101.6141.4-37.10000123.4
196V29.9Very low31.9Very low140 Ų140140.6 Ų140.685%0.84878%0.783SS**  26.5128.2125.3-162.30000120.9
197G31.7Very low31.6Very low81 Ų81139.4 Ų139.484%0.83579%0.785SS**  trans-163.9110.3154.100000111.8
198S28.2Very low31.4Very low100 Ų100141.1 Ų141.170%0.69979%0.788SS**  trans-90.1146.3176.144.20000111.5
199H33.7Very low31.3Very low193 Ų193139.3 Ų139.389%0.89479%0.785SS**  trans-156.3119.7153.8-113.1-73.6000111.5
200L28.4Very low31.2Very low143 Ų143143.2 Ų143.275%0.74979%0.788SS**  trans-73.9149.8169.3-73.799.4000111.2
201H31.5Very low32Very low177 Ų177141.4 Ų141.482%0.81977%0.769SS**  trans-144.3107.5152.2-116.370.8000109.8
202T25.2Very low33.2Very low123 Ų123139.5 Ų139.576%0.75577%0.766SS**  trans-88.4134.4165.2-44.80000107.9
203K33.2Very low34.8Very low199 Ų199136.7 Ų136.787%0.86575%0.745SS**  trans-131.8135.2166.2-112.9-178.4178.9177.70109.9
204E26.9Very low36.7Very low167 Ų167130.6 Ų130.678%0.7872%0.721SS**  trans-84158-165.9-57.9-175.792.300115.9
205H29.5Very low38.5Very low163 Ų163131.1 Ų131.176%0.75573%0.726SS**  trans62.7157.2140.6-96.490.1000120.1
206P30.9Very low40.3Very low106 Ų106128.2 Ų128.269%0.68872%0.72SS**  cis-139.8160.67.433-10.7000118.6
207A26Very low42.3Very low91 Ų91122.1 Ų122.175%0.75268%0.682SS**  trans49.598143.700000120.2
208Q29.2Very low44.1Very low186 Ų186122.4 Ų122.487%0.86967%0.668SS**  trans-134.8136.6156.9-80.3179-3000110.1N210Q208-N210 PolarHBondContact O-N 3.32Å
209M30.1Very low46.4Very low170 Ų170123.1 Ų123.184%0.83766%0.659SS**  trans-52.1125.3-174.5-61.4173.7-173.800111L211M209-L211 VanDerWaalsContact C-N 3.31Å; M209-L211 PolarHBondContact O-N 3.1Å
210N31.6Very low48.4Very low157 Ų157116 Ų11684%0.8463%0.629SS**  trans-63.892.4169.2-100.53.8000108.7Q208Q208-N210 PolarHBondContact O-N 3.32Å
211L52.3Low50.8Low72 Ų72115.7 Ų115.738%0.37763%0.628SS.*  trans-82.9113.7150.9-82.3108.2000106M209 L213 F219 L252M209-L211 VanDerWaalsContact C-N 3.31Å; M209-L211 PolarHBondContact O-N 3.1Å; L211-L213 PolarHBondContact O-N 3.11Å; L211-F219 HydrophobicContact CB-CZ 4.44Å; L211-L252 HydrophobicContact CD2-CD1 4.34Å; L211-L252 HydrophobicContact CD2-CD2 4.31Å
212D63.9Low52.9Low154 Ų154108.1 Ų108.182%0.82459%0.593SS**  trans-63.2101.6170.7-78.9-26.1000108.2
213L70.5Confident55.6Low38 Ų38103.7 Ų103.720%0.19957%0.567CS.*PPolyproline II helixtrans-74.2148.6174.2-71.3176.1000110.1L211 V217 F219 L252 F261L211-L213 PolarHBondContact O-N 3.11Å; L213-V217 HydrophobicContact CB-CB 4.29Å; L213-V217 HydrophobicContact CB-CG1 4.39Å; L213-V217 HydrophobicContact CD1-CG1 4.13Å; L213-V217 HydrophobicContact CD2-CG1 4.02Å; L213-V217 HydrophobicContact CG-CG1 4.42Å; L213-F219 HydrophobicContact CD1-CD1 4.49Å; L213-F219 HydrophobicContact CD1-CD2 3.3Å; L213-F219 HydrophobicContact CD1-CE2 3.35Å; L213-F219 HydrophobicContact CD1-CG 3.91Å; L213-F219 HydrophobicContact CD1-CZ 3.99Å; L213-F219 HydrophobicContact CG-CD2 4.24Å; L213-F219 HydrophobicContact CG-CE2 3.78Å; L213-F219 HydrophobicContact CG-CZ 4.2Å; L213-L252 HydrophobicContact CD2-CB 4.14Å; L213-F261 HydrophobicContact CD2-CD1 3.99Å
214P73.5Confident58.1Low47 Ų4796.6 Ų96.631%0.30555%0.55SS.*PPolyproline II helixtrans-59.7154.3172.4-17.828.3000112.2G216 V217 F261P214-G216 PolarHBondContact O-N 2.81Å; P214-V217 HydrophobicContact CB-CG2 4.11Å; P214-V217 HydrophobicContact CG-CG2 4.14Å; P214-V217 PolarHBondContact O-N 3.39Å; P214-V217 VanDerWaalsContact O-N 3.11Å; P214-F261 HydrophobicContact CG-CD1 4.36Å; P214-F261 HydrophobicContact CG-CD2 3.94Å; P214-F261 HydrophobicContact CG-CE1 3.97Å; P214-F261 HydrophobicContact CG-CE2 3.48Å; P214-F261 VanDerWaalsContact CG-CE2 3.48Å; P214-F261 HydrophobicContact CG-CG 4.37Å; P214-F261 HydrophobicContact CG-CZ 3.51Å
215P69.2Low61.1Low130 Ų13092.8 Ų92.884%0.84453%0.529SS*.THydrogen-bonded Turntrans-53.5132.4171.7-23.633.4000111.7V217P215-V217 VanDerWaalsContact C-N 3.33Å
216G70.6Confident64.1Low56 Ų5688.3 Ų88.358%0.57751%0.508SS*.THydrogen-bonded Turntrans92.3-20-178.600000114.5P214P214-G216 PolarHBondContact O-N 2.81Å
217V73.2Confident67Low11 Ų1183.2 Ų83.27%0.06748%0.475CS..  trans-87.4126.9175.7-176.40000110L213 P214 P215 E254 E255 F261 L278L213-V217 HydrophobicContact CB-CB 4.29Å; L213-V217 HydrophobicContact CB-CG1 4.39Å; L213-V217 HydrophobicContact CD1-CG1 4.13Å; L213-V217 HydrophobicContact CD2-CG1 4.02Å; L213-V217 HydrophobicContact CG-CG1 4.42Å; P214-V217 HydrophobicContact CB-CG2 4.11Å; P214-V217 HydrophobicContact CG-CG2 4.14Å; P214-V217 PolarHBondContact O-N 3.39Å; P214-V217 VanDerWaalsContact O-N 3.11Å; P215-V217 VanDerWaalsContact C-N 3.33Å; V217-E254 WeakPolarHBondContact CA-O 3.09Å; V217-E255 HydrophobicContact CG2-CB 4.24Å; V217-F261 HydrophobicContact CB-CB 4.41Å; V217-F261 HydrophobicContact CG1-CB 3.51Å; V217-F261 HydrophobicContact CG1-CG 4.16Å; V217-F261 HydrophobicContact CG2-CB 4Å; V217-F261 HydrophobicContact CG2-CD2 4.37Å; V217-F261 HydrophobicContact CG2-CG 4.25Å; V217-L278 HydrophobicContact CG2-CD2 4.22Å
218V67.5Low70.1Confident87 Ų8780.7 Ų80.753%0.52745%0.451SS..BIsolated β-bridgetrans-114.5148.2177.2-65.60000111.4T220 G253 E254V218-T220 HydrophobicContact CG2-CG2 4.06Å; V218-G253 CarbonylContact O-C 3.5Å; V218-G253 WeakPolarHBondContact O-CA 3.11Å; V218-E254 WeakPolarHBondContact CG2-O 3.49Å; V218-E254 PolarHBondContact N-O 2.95Å; V218-E254 PolarHBondContact O-N 2.85Å
219F77.9Confident73.1Confident116 Ų11672 Ų7251%0.50941%0.411SS..  trans-67.2135167.2-84.4-80.5000109.8L211 L213 S223 L252L211-F219 HydrophobicContact CB-CZ 4.44Å; L213-F219 HydrophobicContact CD1-CD1 4.49Å; L213-F219 HydrophobicContact CD1-CD2 3.3Å; L213-F219 HydrophobicContact CD1-CE2 3.35Å; L213-F219 HydrophobicContact CD1-CG 3.91Å; L213-F219 HydrophobicContact CD1-CZ 3.99Å; L213-F219 HydrophobicContact CG-CD2 4.24Å; L213-F219 HydrophobicContact CG-CE2 3.78Å; L213-F219 HydrophobicContact CG-CZ 4.2Å; F219-S223 WeakPolarHBondContact CD1-OG 3.43Å; F219-L252 WeakPolarHBondContact CD1-O 3.45Å; F219-L252 WeakPolarHBondContact CE1-O 3.44Å
220T75.3Confident75.9Confident43 Ų4367.6 Ų67.626%0.26439%0.387SS..  trans-133.2-176.7179.169.80000111V218 L222 S223 E254V218-T220 HydrophobicContact CG2-CG2 4.06Å; T220-L222 PolarHBondContact O-N 3.43Å; T220-L222 PolarHBondContact OG1-N 2.77Å; T220-L222 VanDerWaalsContact OG1-N 3.08Å; T220-S223 PolarHBondContact N-OG 2.78Å; T220-S223 VanDerWaalsContact N-OG 3.09Å; T220-S223 WeakPolarHBondContact O-CB 3.37Å; T220-S223 PolarHBondContact O-N 3.44Å; T220-S223 PolarHBondContact O-OG 3Å; T220-E254 WeakPolarHBondContact CB-OE1 3.44Å; T220-E254 HydrophobicContact CG2-CB 3.77Å; T220-E254 HydrophobicContact CG2-CG 3.72Å; T220-E254 VanDerWaalsContact CG2-OE1 3.3Å; T220-E254 WeakPolarHBondContact CG2-OE1 3.35Å; T220-E254 PolarHBondContact OG1-OE1 2.8Å
221N77.8Confident78Confident137 Ų13762.1 Ų62.173%0.73336%0.356SS*.THydrogen-bonded Turntrans-66-12.3171.267.7-27.4000113.6
222L76.5Confident79.5Confident18 Ų1862 Ų629%0.09436%0.355CS..THydrogen-bonded Turntrans-86.4-21.3174.2-61.4-169.5000112.8T220 G224 R225 L251 E254 W260 L286T220-L222 PolarHBondContact O-N 3.43Å; T220-L222 PolarHBondContact OG1-N 2.77Å; T220-L222 VanDerWaalsContact OG1-N 3.08Å; L222-G224 PolarHBondContact O-N 2.9Å; L222-R225 WeakPolarHBondContact O-CB 3.19Å; L222-R225 VanDerWaalsContact O-CG 3.3Å; L222-R225 WeakPolarHBondContact O-CG 2.95Å; L222-R225 PolarHBondContact O-N 3.32Å; L222-L251 HydrophobicContact CB-CD1 3.88Å; L222-L251 HydrophobicContact CD1-CD1 4.35Å; L222-E254 WeakPolarHBondContact CB-OE1 3.28Å; L222-E254 WeakPolarHBondContact CD1-OE1 3.32Å; L222-E254 VanDerWaalsContact CG-OE1 3.28Å; L222-E254 WeakPolarHBondContact CG-OE1 3.32Å; L222-W260 HydrophobicContact CD1-CD2 4.33Å; L222-W260 HydrophobicContact CD1-CH2 3.93Å; L222-W260 HydrophobicContact CD1-CZ2 3.39Å; L222-L286 HydrophobicContact CD1-CD1 4.46Å; L222-L286 HydrophobicContact CD2-CD1 3.83Å
223S82.9Confident80.3Confident30 Ų3054.8 Ų54.821%0.2132%0.316CS..THydrogen-bonded Turntrans-54.6132.1177.5-63.30000111.8F219 T220 R225 L252F219-S223 WeakPolarHBondContact CD1-OG 3.43Å; T220-S223 PolarHBondContact N-OG 2.78Å; T220-S223 VanDerWaalsContact N-OG 3.09Å; T220-S223 WeakPolarHBondContact O-CB 3.37Å; T220-S223 PolarHBondContact O-N 3.44Å; T220-S223 PolarHBondContact O-OG 3Å; S223-R225 VanDerWaalsContact C-N 3.28Å; S223-R225 PolarHBondContact O-N 3.34Å; S223-L252 WeakPolarHBondContact CB-O 3.36Å; S223-L252 PolarHBondContact OG-O 2.77Å
224G85.1Confident80.9Confident49 Ų4959.1 Ų59.151%0.50534%0.34SS..THydrogen-bonded Turntrans84-14.4-174.500000115L222 L251L222-G224 PolarHBondContact O-N 2.9Å; G224-L251 WeakPolarHBondContact CA-O 3.41Å; G224-L251 PolarHBondContact N-O 3.31Å
225R89.5Confident81.1Confident87 Ų8758.4 Ų58.433%0.32834%0.338SS..  trans-70.9149.1176.6-60.8-172.267.4-178.6-2.6110.8L222 S223 L251 L286 L287L222-R225 WeakPolarHBondContact O-CB 3.19Å; L222-R225 VanDerWaalsContact O-CG 3.3Å; L222-R225 WeakPolarHBondContact O-CG 2.95Å; L222-R225 PolarHBondContact O-N 3.32Å; S223-R225 VanDerWaalsContact C-N 3.28Å; S223-R225 PolarHBondContact O-N 3.34Å; R225-L251 PolarHBondContact O-N 2.79Å; R225-L286 HydrophobicContact CB-CD2 3.85Å; R225-L287 PolarHBondContact NH2-O 3.23Å
226Q93Very high81Confident69 Ų6958 Ų5832%0.32233%0.325SS..EExtended strand (participates in β ladder)trans-97143.9174-64.7-174.814.800110.8L249 I265 L287Q226-L249 CarbonylContact C-O 3.57Å; Q226-L249 VanDerWaalsContact CA-O 3.31Å; Q226-L249 WeakPolarHBondContact CA-O 3.42Å; Q226-I265 HydrophobicContact CG-CD1 4.12Å; Q226-L287 HydrophobicContact CB-CD1 4.02Å; Q226-L287 WeakPolarHBondContact O-CB 3.22Å; Q226-L287 PolarHBondContact O-N 3.45Å
227C90.4Very high81Confident0 Ų060.1 Ų60.10%032%0.318CS..EExtended strand (participates in β ladder)trans-131166.5171.7660000110.8R248 L249 V284 K285 L286C227-R248 WeakPolarHBondContact O-CA 3.08Å; C227-L249 PolarHBondContact N-O 2.85Å; C227-L249 PolarHBondContact O-N 2.79Å; C227-V284 HydrophobicContact CB-CB 4.03Å; C227-V284 HydrophobicContact CB-CG2 4.23Å; C227-K285 CarbonylContact C-O 3.58Å; C227-K285 WeakPolarHBondContact CA-O 3.21Å; C227-K285 VanDerWaalsContact CB-O 3.32Å; C227-K285 WeakPolarHBondContact CB-O 3.48Å; C227-L286 HydrophobicContact CB-CD2 4.42Å
228V93.1Very high81.2Confident38 Ų3868.6 Ų68.623%0.2336%0.357CS..EExtended strand (participates in β ladder)trans-123.1137.6174.464.60000110.3K230 D247 V284 K285 L287V228-K230 PolarHBondContact O-N 2.9Å; V228-D247 CarbonylContact C-O 3.52Å; V228-D247 VanDerWaalsContact CA-O 3.25Å; V228-D247 WeakPolarHBondContact CA-O 3.21Å; V228-V284 CarbonylContact O-C 3.54Å; V228-V284 VanDerWaalsContact O-CA 3.3Å; V228-V284 WeakPolarHBondContact O-CA 3.06Å; V228-K285 HydrophobicContact CG1-CB 4.08Å; V228-K285 PolarHBondContact N-O 3.45Å; V228-K285 PolarHBondContact O-N 3.28Å; V228-L287 HydrophobicContact CB-CD2 4.46Å; V228-L287 HydrophobicContact CG1-CD2 4.09Å
229A91.9Very high81.7Confident4 Ų469.3 Ų69.33%0.03336%0.355CS..EExtended strand (participates in β ladder)trans-67122.9176.200000111.3F243 R244 G246 D247 L249A229-F243 HydrophobicContact CB-CD2 3.42Å; A229-F243 VanDerWaalsContact CB-CD2 3.42Å; A229-F243 HydrophobicContact CB-CE2 3.7Å; A229-F243 HydrophobicContact CB-CG 4.45Å; A229-R244 WeakPolarHBondContact CB-O 3.12Å; A229-G246 PolarHBondContact O-N 2.85Å; A229-D247 HydrophobicContact CB-CB 4.21Å; A229-D247 PolarHBondContact N-O 2.88Å; A229-L249 HydrophobicContact CB-CD1 4.32Å
230K87.9Confident82.2Confident77 Ų7764.7 Ų64.734%0.33534%0.335SS..SBendtrans-81.5-27.2174.5-60.6178.9-57.9-151.70111.8V228 Q245 N282 Y283 V284 K285V228-K230 PolarHBondContact O-N 2.9Å; K230-Q245 WeakPolarHBondContact O-CG 3.42Å; K230-Q245 PolarHBondContact O-NE2 2.82Å; K230-N282 WeakPolarHBondContact CE-O 3.09Å; K230-N282 PolarHBondContact NZ-O 3.36Å; K230-Y283 WeakPolarHBondContact CB-O 3.4Å; K230-Y283 PolarHBondContact N-O 3.44Å; K230-V284 WeakPolarHBondContact CE-O 3.09Å; K230-V284 PolarHBondContact NZ-O 3.35Å; K230-K285 HydrophobicContact CD-CB 4.12Å; K230-K285 HydrophobicContact CG-CB 4.04Å
231F76.3Confident82.8Confident42 Ų4263 Ų6318%0.18432%0.324CS..SBendtrans-141.7163.7-177-45.6-71000110.3F243 Y283 Q308 P309F231-F243 WeakPolarHBondContact O-CE2 3.34Å; F231-Y283 HydrophobicContact CB-CD1 3.8Å; F231-Y283 HydrophobicContact CB-CE1 4.12Å; F231-Y283 HydrophobicContact CD2-CD1 4.15Å; F231-Y283 HydrophobicContact CD2-CG 4.27Å; F231-Y283 HydrophobicContact CG-CD1 4.47Å; F231-Q308 HydrophobicContact CB-CG 4.27Å; F231-P309 HydrophobicContact CD2-CG 4.28Å; F231-P309 HydrophobicContact CE2-CG 4.06Å
232D84.5Confident83.4Confident68 Ų6859.4 Ų59.436%0.36431%0.31SS..  trans-69.8145.5167.7-65.75.3000109.8Q245 Y283 Q308D232-Q245 VanDerWaalsContact OD1-CB 3.3Å; D232-Q245 WeakPolarHBondContact OD1-CB 3.12Å; D232-Q245 PolarHBondContact OD1-N 2.83Å; D232-Y283 VanDerWaalsContact O-CE1 3.32Å; D232-Y283 WeakPolarHBondContact O-CE1 3.34Å; D232-Q308 PolarHBondContact O-NE2 2.61Å
233F79.1Confident84.2Confident3 Ų358.9 Ų58.91%0.01331%0.307CS..BIsolated β-bridgetrans-138.5128.4174.2177.8-103.4000109.4A235 E240 M241 S242 F243 W259 P280 Y283 A311F233-A235 HydrophobicContact CE1-CB 4.39Å; F233-E240 HydrophobicContact CE1-CB 4.31Å; F233-M241 VanDerWaalsContact CD1-O 3.25Å; F233-M241 WeakPolarHBondContact CD1-O 3.37Å; F233-S242 CarbonylContact O-C 3.49Å; F233-S242 WeakPolarHBondContact O-CA 3.44Å; F233-S242 WeakPolarHBondContact O-CB 3.31Å; F233-F243 HydrophobicContact CB-CD1 4.05Å; F233-F243 HydrophobicContact CB-CD2 4.05Å; F233-F243 HydrophobicContact CB-CE1 3.56Å; F233-F243 HydrophobicContact CB-CE2 3.58Å; F233-F243 HydrophobicContact CB-CG 4.28Å; F233-F243 HydrophobicContact CB-CZ 3.31Å; F233-F243 HydrophobicContact CD1-CD1 4.05Å; F233-F243 AromaticContact CD1-CE1 3.56Å; F233-F243 HydrophobicContact CD1-CE1 3.56Å; F233-F243 HydrophobicContact CD1-CZ 4.13Å; F233-F243 HydrophobicContact CG-CD1 4.48Å; F233-F243 AromaticContact CG-CE1 3.8Å; F233-F243 HydrophobicContact CG-CE1 3.8Å; F233-F243 AromaticContact CG-CZ 3.88Å; F233-F243 HydrophobicContact CG-CZ 3.88Å; F233-F243 PolarHBondContact N-O 3.18Å; F233-F243 PolarHBondContact O-N 2.84Å; F233-F243 VanDerWaalsContact O-O 3.14Å; F233-W259 HydrophobicContact CE1-CZ3 4.5Å; F233-W259 HydrophobicContact CE2-CH2 4.32Å; F233-W259 AromaticContact CZ-CH2 3.87Å; F233-W259 HydrophobicContact CZ-CH2 3.87Å; F233-W259 AromaticContact CZ-CZ3 3.91Å; F233-W259 HydrophobicContact CZ-CZ3 3.91Å; F233-P280 HydrophobicContact CD2-CG 3.66Å; F233-P280 HydrophobicContact CE2-CG 3.67Å; F233-P280 HydrophobicContact CG-CG 4.13Å; F233-P280 HydrophobicContact CZ-CG 4.16Å; F233-Y283 HydrophobicContact CB-CD1 3.95Å; F233-Y283 HydrophobicContact CB-CE1 4.23Å; F233-Y283 HydrophobicContact CD2-CD1 4.31Å; F233-Y283 HydrophobicContact CD2-CE1 4.11Å; F233-A311 HydrophobicContact CD2-CB 4.34Å; F233-A311 HydrophobicContact CE2-CB 4.02Å
234N83.2Confident84.7Confident129 Ų12965.9 Ų65.969%0.6933%0.329SS*.  trans-108.4115.7175-63.1-37.9000107.2E236N234-E236 PolarHBondContact O-N 3.4Å
235A78.1Confident85Confident33 Ų3369.9 Ų69.927%0.27333%0.334SS..  trans-58.6132.6175.900000111F233 E240 S242F233-A235 HydrophobicContact CE1-CB 4.39Å; A235-E240 HydrophobicContact CB-CB 3.6Å; A235-S242 WeakPolarHBondContact CB-OG 3.26Å; A235-S242 PolarHBondContact N-OG 3.09Å
236E68.4Low85.1Confident121 Ų12167.9 Ų67.957%0.56534%0.34SS*.SBendtrans-97.8-26.2175.3-64.8-174.5-178.800111.2N234 E240N234-E236 PolarHBondContact O-N 3.4Å; E236-E240 PolarHBondContact N-OE2 3Å
237F70Confident85.2Confident100 Ų10065.1 Ų65.144%0.43933%0.328SS..SBendtrans-117.6159.9-179.4-57.8-80.8000112.5E239 E240F237-E239 VanDerWaalsContact C-N 3.28Å; F237-E239 PolarHBondContact O-N 3.24Å; F237-E240 HydrophobicContact CB-CG 4.3Å; F237-E240 WeakPolarHBondContact CD2-OE1 3.33Å; F237-E240 PolarHBondContact N-OE2 3.44Å; F237-E240 PolarHBondContact O-N 3.39Å
238Q76.4Confident85.4Confident190 Ų19071.1 Ų71.189%0.88835%0.35SS*.THydrogen-bonded Turntrans-67.1-27.3-175-173.6174.211.300113.2E240Q238-E240 VanDerWaalsContact C-N 3.31Å
239E79.2Confident85.4Confident102 Ų10269.3 Ų69.348%0.47734%0.339SS..THydrogen-bonded Turntrans-83.1-8.7179-46.479.8-170.700113F237 G277 L278 R315F237-E239 VanDerWaalsContact C-N 3.28Å; F237-E239 PolarHBondContact O-N 3.24Å; E239-G277 CarbonylContact O-C 3.43Å; E239-G277 VanDerWaalsContact O-CA 3.27Å; E239-G277 WeakPolarHBondContact O-CA 3.43Å; E239-L278 HydrophobicContact CB-CD1 4.31Å; E239-L278 PolarHBondContact O-N 2.89Å; E239-R315 IonicContact OE2-CZ 2.69Å; E239-R315 IonicContact OE2-NH1 3.59Å; E239-R315 PolarHBondContact OE2-NH1 3.4Å; E239-R315 IonicContact OE2-NH2 3.57Å
240E86.8Confident85.5Confident18 Ų1873.8 Ų73.88%0.08436%0.355CS..BIsolated β-bridgetrans-90.9157179-65.8175.2176.200111.7F233 A235 E236 F237 Q238 W259 L278F233-E240 HydrophobicContact CE1-CB 4.31Å; A235-E240 HydrophobicContact CB-CB 3.6Å; E236-E240 PolarHBondContact N-OE2 3Å; F237-E240 HydrophobicContact CB-CG 4.3Å; F237-E240 WeakPolarHBondContact CD2-OE1 3.33Å; F237-E240 PolarHBondContact N-OE2 3.44Å; F237-E240 PolarHBondContact O-N 3.39Å; Q238-E240 VanDerWaalsContact C-N 3.31Å; E240-W259 HydrophobicContact CG-CH2 4.21Å; E240-W259 HydrophobicContact CG-CZ3 3.92Å; E240-W259 WeakPolarHBondContact OE1-CH2 3.3Å; E240-L278 WeakPolarHBondContact CA-O 3.35Å; E240-L278 HydrophobicContact CG-CB 4.47Å
241M89.7Confident85.7Confident8 Ų870.1 Ų70.14%0.03934%0.34CS..  trans-119.9122.5178.3175.3175.254.600111.6F233 F243 L249 A262 L264 P275 L278 I279F233-M241 VanDerWaalsContact CD1-O 3.25Å; F233-M241 WeakPolarHBondContact CD1-O 3.37Å; M241-F243 VanDerWaalsContact O-CD1 3.29Å; M241-F243 WeakPolarHBondContact O-CD1 3.41Å; M241-L249 HydrophobicContact CE-CD2 3.47Å; M241-L249 VanDerWaalsContact CE-CD2 3.47Å; M241-A262 HydrophobicContact CE-CB 4.05Å; M241-A262 VanDerWaalsContact CE-O 3.25Å; M241-A262 WeakPolarHBondContact CE-O 3.37Å; M241-L264 HydrophobicContact SD-CB 3.77Å; M241-P275 HydrophobicContact CG-CB 4.38Å; M241-P275 VanDerWaalsContact SD-C 3.51Å; M241-P275 HydrophobicContact SD-CB 3.89Å; M241-L278 PolarHBondContact N-O 3.03Å; M241-I279 HydrophobicContact CB-CG2 4.27Å; M241-I279 HydrophobicContact CE-CG2 3.59Å
242S90.4Very high86.3Confident62 Ų6268.8 Ų68.843%0.43433%0.334SS..  trans-69.7142170.7-57.40000111.9F233 A235F233-S242 CarbonylContact O-C 3.49Å; F233-S242 WeakPolarHBondContact O-CA 3.44Å; F233-S242 WeakPolarHBondContact O-CB 3.31Å; A235-S242 WeakPolarHBondContact CB-OG 3.26Å; A235-S242 PolarHBondContact N-OG 3.09Å
243F92.5Very high86.4Confident7 Ų765.6 Ų65.63%0.03132%0.317CS..BIsolated β-bridgetrans-151.2160.617555.2-96.1000111.2A229 F231 F233 M241 D247 L249 I279 Y283 V284A229-F243 HydrophobicContact CB-CD2 3.42Å; A229-F243 VanDerWaalsContact CB-CD2 3.42Å; A229-F243 HydrophobicContact CB-CE2 3.7Å; A229-F243 HydrophobicContact CB-CG 4.45Å; F231-F243 WeakPolarHBondContact O-CE2 3.34Å; F233-F243 HydrophobicContact CB-CD1 4.05Å; F233-F243 HydrophobicContact CB-CD2 4.05Å; F233-F243 HydrophobicContact CB-CE1 3.56Å; F233-F243 HydrophobicContact CB-CE2 3.58Å; F233-F243 HydrophobicContact CB-CG 4.28Å; F233-F243 HydrophobicContact CB-CZ 3.31Å; F233-F243 HydrophobicContact CD1-CD1 4.05Å; F233-F243 AromaticContact CD1-CE1 3.56Å; F233-F243 HydrophobicContact CD1-CE1 3.56Å; F233-F243 HydrophobicContact CD1-CZ 4.13Å; F233-F243 HydrophobicContact CG-CD1 4.48Å; F233-F243 AromaticContact CG-CE1 3.8Å; F233-F243 HydrophobicContact CG-CE1 3.8Å; F233-F243 AromaticContact CG-CZ 3.88Å; F233-F243 HydrophobicContact CG-CZ 3.88Å; F233-F243 PolarHBondContact N-O 3.18Å; F233-F243 PolarHBondContact O-N 2.84Å; F233-F243 VanDerWaalsContact O-O 3.14Å; M241-F243 VanDerWaalsContact O-CD1 3.29Å; M241-F243 WeakPolarHBondContact O-CD1 3.41Å; F243-D247 HydrophobicContact CB-CB 4.22Å; F243-L249 HydrophobicContact CB-CD2 4.39Å; F243-L249 HydrophobicContact CD1-CD2 4.13Å; F243-L249 HydrophobicContact CG-CD2 4.33Å; F243-I279 HydrophobicContact CD1-CG2 3.84Å; F243-I279 HydrophobicContact CE1-CB 3.75Å; F243-I279 HydrophobicContact CE1-CG2 3.56Å; F243-I279 HydrophobicContact CZ-CB 4.5Å; F243-Y283 HydrophobicContact CE2-CD1 4.46Å; F243-Y283 HydrophobicContact CZ-CD1 4.42Å; F243-Y283 HydrophobicContact CZ-CG 4.41Å; F243-V284 HydrophobicContact CZ-CG1 4.4Å
244R92.5Very high86.4Confident177 Ų17766.7 Ų66.767%0.66832%0.322SS*.  trans-104.2154.2177-66-178.4178.7-99.60.7111A229 G246 D247A229-R244 WeakPolarHBondContact CB-O 3.12Å; R244-G246 PolarHBondContact O-N 3.21Å; R244-D247 PolarHBondContact N-OD2 3.47Å; R244-D247 WeakPolarHBondContact O-CB 3.21Å; R244-D247 PolarHBondContact O-N 2.76Å
245Q91.5Very high86Confident133 Ų13363.4 Ų63.462%0.62130%0.303SS*.THydrogen-bonded Turntrans-50.5131.6170.6178.4177.851.400110.3K230 D232 D247K230-Q245 WeakPolarHBondContact O-CG 3.42Å; K230-Q245 PolarHBondContact O-NE2 2.82Å; D232-Q245 VanDerWaalsContact OD1-CB 3.3Å; D232-Q245 WeakPolarHBondContact OD1-CB 3.12Å; D232-Q245 PolarHBondContact OD1-N 2.83Å; Q245-D247 VanDerWaalsContact C-N 3.33Å
246G92.2Very high85.7Confident44 Ų4463.8 Ų63.845%0.45430%0.3SS..THydrogen-bonded Turntrans89.7-9.5-176.600000114.6A229 R244A229-G246 PolarHBondContact O-N 2.85Å; R244-G246 PolarHBondContact O-N 3.21Å
247D94.9Very high85.4Confident11 Ų1164.4 Ų64.46%0.05930%0.303CS..  trans-61.7138.8174-84.8-30.6000111.8V228 A229 F243 R244 Q245 L249 L264 T266 H267V228-D247 CarbonylContact C-O 3.52Å; V228-D247 VanDerWaalsContact CA-O 3.25Å; V228-D247 WeakPolarHBondContact CA-O 3.21Å; A229-D247 HydrophobicContact CB-CB 4.21Å; A229-D247 PolarHBondContact N-O 2.88Å; F243-D247 HydrophobicContact CB-CB 4.22Å; R244-D247 PolarHBondContact N-OD2 3.47Å; R244-D247 WeakPolarHBondContact O-CB 3.21Å; R244-D247 PolarHBondContact O-N 2.76Å; Q245-D247 VanDerWaalsContact C-N 3.33Å; D247-L249 WeakPolarHBondContact O-CD1 3.42Å; D247-L264 HydrophobicContact CB-CD1 3.69Å; D247-T266 WeakPolarHBondContact CA-OG1 3.29Å; D247-T266 WeakPolarHBondContact CB-OG1 3.25Å; D247-T266 VanDerWaalsContact OD1-CB 3.3Å; D247-T266 WeakPolarHBondContact OD1-CB 3.21Å; D247-T266 PolarHBondContact OD1-OG1 3Å; D247-H267 IonicContact OD1-CD2 3.53Å; D247-H267 IonicContact OD1-NE2 3.74Å
248R94.6Very high85.3Confident127 Ų12762.3 Ų62.348%0.47930%0.297SS..EExtended strand (participates in β ladder)trans-94.4133.8172.3-68.1-178.5176.8-114.90.3109C227 I265 T266C227-R248 WeakPolarHBondContact O-CA 3.08Å; R248-I265 HydrophobicContact CB-CD1 3.88Å; R248-I265 HydrophobicContact CB-CG1 3.58Å; R248-I265 WeakPolarHBondContact O-CG1 3.46Å; R248-I265 PolarHBondContact O-N 2.92Å; R248-T266 PolarHBondContact N-OG1 2.91Å; R248-T266 PolarHBondContact O-N 3.13Å; R248-T266 PolarHBondContact O-OG1 3.07Å
249L94.4Very high85.3Confident0 Ų053.4 Ų53.40%026%0.255CS..EExtended strand (participates in β ladder)trans-129150.1178-47.197.2000109.9Q226 C227 A229 M241 F243 D247 A262 E263 L264 I279 V284Q226-L249 CarbonylContact C-O 3.57Å; Q226-L249 VanDerWaalsContact CA-O 3.31Å; Q226-L249 WeakPolarHBondContact CA-O 3.42Å; C227-L249 PolarHBondContact N-O 2.85Å; C227-L249 PolarHBondContact O-N 2.79Å; A229-L249 HydrophobicContact CB-CD1 4.32Å; M241-L249 HydrophobicContact CE-CD2 3.47Å; M241-L249 VanDerWaalsContact CE-CD2 3.47Å; F243-L249 HydrophobicContact CB-CD2 4.39Å; F243-L249 HydrophobicContact CD1-CD2 4.13Å; F243-L249 HydrophobicContact CG-CD2 4.33Å; D247-L249 WeakPolarHBondContact O-CD1 3.42Å; L249-A262 HydrophobicContact CB-CB 4.25Å; L249-A262 HydrophobicContact CD2-CB 4.5Å; L249-E263 CarbonylContact C-O 3.59Å; L249-E263 WeakPolarHBondContact CA-O 3.3Å; L249-E263 WeakPolarHBondContact CB-O 3.48Å; L249-L264 HydrophobicContact CD2-CD1 4.32Å; L249-L264 HydrophobicContact CG-CD1 4.23Å; L249-I279 HydrophobicContact CD2-CD1 4.16Å; L249-I279 HydrophobicContact CD2-CG2 4.14Å; L249-V284 HydrophobicContact CD1-CG1 4.05Å
250R93.9Very high85.7Confident97 Ų9749.9 Ų49.937%0.36624%0.238SC..EExtended strand (participates in β ladder)trans-108.4127.2169.6180-173.2-61.1144.77.8108.6A262 E263 I265R250-A262 CarbonylContact O-C 3.55Å; R250-A262 VanDerWaalsContact O-CA 3.22Å; R250-A262 WeakPolarHBondContact O-CA 3.35Å; R250-A262 WeakPolarHBondContact O-CB 3.19Å; R250-E263 HydrophobicContact CB-CG 3.75Å; R250-E263 WeakPolarHBondContact CD-OE1 3.28Å; R250-E263 IonicContact CZ-OE1 3.79Å; R250-E263 VanDerWaalsContact CZ-OE1 3.28Å; R250-E263 PolarHBondContact N-O 3.34Å; R250-E263 IonicContact NE-OE1 3.88Å; R250-E263 IonicContact NH1-OE1 3.98Å; R250-E263 PolarHBondContact NH1-OE1 3.39Å; R250-E263 PolarHBondContact O-N 3.47Å; R250-I265 HydrophobicContact CB-CG2 4.08Å
251L91.5Very high85.9Confident1 Ų150 Ų501%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-74.1134.7176.5-55.5-176.6000109.5L222 G224 R225 W260 A262 I279 L286L222-L251 HydrophobicContact CB-CD1 3.88Å; L222-L251 HydrophobicContact CD1-CD1 4.35Å; G224-L251 WeakPolarHBondContact CA-O 3.41Å; G224-L251 PolarHBondContact N-O 3.31Å; R225-L251 PolarHBondContact O-N 2.79Å; L251-W260 HydrophobicContact CD1-CD2 4.08Å; L251-W260 HydrophobicContact CD1-CE3 3.54Å; L251-W260 HydrophobicContact CD1-CZ3 3.82Å; L251-W260 HydrophobicContact CD2-CB 3.98Å; L251-W260 HydrophobicContact CD2-CD2 4.33Å; L251-W260 HydrophobicContact CD2-CE3 3.68Å; L251-W260 HydrophobicContact CD2-CZ3 4.5Å; L251-W260 HydrophobicContact CG-CE3 4.27Å; L251-A262 HydrophobicContact CD2-CB 3.93Å; L251-I279 HydrophobicContact CD2-CD1 4.04Å; L251-L286 HydrophobicContact CD1-CD2 3.72Å
252L88.8Confident86.1Confident13 Ų1349.6 Ų49.67%0.06824%0.236CC..EExtended strand (participates in β ladder)trans-107.4-36178.2-59.6-180000110.5L211 L213 F219 S223 F261 E263 Q276L211-L252 HydrophobicContact CD2-CD1 4.34Å; L211-L252 HydrophobicContact CD2-CD2 4.31Å; L213-L252 HydrophobicContact CD2-CB 4.14Å; F219-L252 WeakPolarHBondContact CD1-O 3.45Å; F219-L252 WeakPolarHBondContact CE1-O 3.44Å; S223-L252 WeakPolarHBondContact CB-O 3.36Å; S223-L252 PolarHBondContact OG-O 2.77Å; L252-F261 HydrophobicContact CB-CD1 3.93Å; L252-F261 HydrophobicContact CD1-CD1 3.95Å; L252-F261 HydrophobicContact CD1-CE1 3.9Å; L252-F261 PolarHBondContact N-O 2.72Å; L252-E263 HydrophobicContact CD1-CB 4.19Å; L252-E263 HydrophobicContact CD1-CG 4.49Å; L252-E263 HydrophobicContact CD2-CG 4.21Å; L252-E263 HydrophobicContact CG-CG 4.43Å; L252-Q276 HydrophobicContact CD1-CG 4.2Å
253G86Confident86.3Confident1 Ų147.7 Ų47.71%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-169.8-172.3174.900000111.9V218 F261V218-G253 CarbonylContact O-C 3.5Å; V218-G253 WeakPolarHBondContact O-CA 3.11Å; G253-F261 PolarHBondContact N-O 2.95Å; G253-F261 PolarHBondContact O-N 3.08Å
254E79.4Confident86.4Confident26 Ų2648.1 Ų48.112%0.12122%0.223CC..EExtended strand (participates in β ladder)trans-126.5132.2178.3-58.3-174.9-122.500109.3V217 V218 T220 L222 W260V217-E254 WeakPolarHBondContact CA-O 3.09Å; V218-E254 WeakPolarHBondContact CG2-O 3.49Å; V218-E254 PolarHBondContact N-O 2.95Å; V218-E254 PolarHBondContact O-N 2.85Å; T220-E254 WeakPolarHBondContact CB-OE1 3.44Å; T220-E254 HydrophobicContact CG2-CB 3.77Å; T220-E254 HydrophobicContact CG2-CG 3.72Å; T220-E254 VanDerWaalsContact CG2-OE1 3.3Å; T220-E254 WeakPolarHBondContact CG2-OE1 3.35Å; T220-E254 PolarHBondContact OG1-OE1 2.8Å; L222-E254 WeakPolarHBondContact CB-OE1 3.28Å; L222-E254 WeakPolarHBondContact CD1-OE1 3.32Å; L222-E254 VanDerWaalsContact CG-OE1 3.28Å; L222-E254 WeakPolarHBondContact CG-OE1 3.32Å; E254-W260 HydrophobicContact CG-CG 4.28Å; E254-W260 PolarHBondContact OE2-NE1 2.99Å
255E73.8Confident86.3Confident60 Ų6041.4 Ų41.428%0.2820%0.199SC..SBendtrans-82.7-43.8166.3-175.8173.7-104.200108.8V217 W259 L278 R315V217-E255 HydrophobicContact CG2-CB 4.24Å; E255-W259 HydrophobicContact CB-CB 4.32Å; E255-W259 PolarHBondContact N-O 2.7Å; E255-L278 HydrophobicContact CB-CD2 3.73Å; E255-L278 WeakPolarHBondContact OE1-CD1 3.37Å; E255-L278 WeakPolarHBondContact OE2-CD1 3.38Å; E255-R315 IonicContact OE1-NH2 3.02Å; E255-R315 PolarHBondContact OE1-NH2 2.84Å; E255-R315 IonicContact OE2-NE 2.71Å; E255-R315 IonicContact OE2-NH2 2.76Å
256D72.7Confident86Confident41 Ų4137.9 Ų37.922%0.21919%0.187CC..SBendtrans-155.7-174.2167.865.647.9000110.8N258 W259D256-N258 PolarHBondContact O-N 3.21Å; D256-N258 VanDerWaalsContact OD1-CA 3.28Å; D256-N258 WeakPolarHBondContact OD1-CA 3.46Å; D256-N258 VanDerWaalsContact OD1-CB 3.32Å; D256-N258 WeakPolarHBondContact OD1-CB 3.45Å; D256-N258 PolarHBondContact OD1-N 2.89Å; D256-W259 PolarHBondContact N-O 2.97Å; D256-W259 CarbonylContact O-C 3.59Å; D256-W259 PolarHBondContact O-N 3.36Å; D256-W259 PolarHBondContact OD1-N 2.76Å
257E62.9Low85.3Confident134 Ų13442.5 Ų42.563%0.62620%0.197SC*.SBendtrans-64.1-20.8-178.7-56.8-176.5160.700114.3A281E257-A281 WeakPolarHBondContact O-CB 3.43Å
258N67.5Low84.1Confident57 Ų5744.6 Ų44.631%0.30522%0.216SC..SBendtrans-99.5-25179.6-51.1-72.2000112.3D256 P280 A281 A314D256-N258 PolarHBondContact O-N 3.21Å; D256-N258 VanDerWaalsContact OD1-CA 3.28Å; D256-N258 WeakPolarHBondContact OD1-CA 3.46Å; D256-N258 VanDerWaalsContact OD1-CB 3.32Å; D256-N258 WeakPolarHBondContact OD1-CB 3.45Å; D256-N258 PolarHBondContact OD1-N 2.89Å; N258-P280 CarbonylContact O-C 3.42Å; N258-P280 VanDerWaalsContact O-CA 3.27Å; N258-P280 WeakPolarHBondContact O-CA 3.19Å; N258-A281 WeakPolarHBondContact O-CB 2.81Å; N258-A281 PolarHBondContact O-N 3.25Å; N258-A314 HydrophobicContact CB-CB 3.95Å
259W76.8Confident82.7Confident3 Ų342 Ų421%0.01122%0.217CC..EExtended strand (participates in β ladder)trans-122.2116.4179.9-67.899.2000112.7F233 E240 E255 D256 L278 I279 P280 A314 R315F233-W259 HydrophobicContact CE1-CZ3 4.5Å; F233-W259 HydrophobicContact CE2-CH2 4.32Å; F233-W259 AromaticContact CZ-CH2 3.87Å; F233-W259 HydrophobicContact CZ-CH2 3.87Å; F233-W259 AromaticContact CZ-CZ3 3.91Å; F233-W259 HydrophobicContact CZ-CZ3 3.91Å; E240-W259 HydrophobicContact CG-CH2 4.21Å; E240-W259 HydrophobicContact CG-CZ3 3.92Å; E240-W259 WeakPolarHBondContact OE1-CH2 3.3Å; E255-W259 HydrophobicContact CB-CB 4.32Å; E255-W259 PolarHBondContact N-O 2.7Å; D256-W259 PolarHBondContact N-O 2.97Å; D256-W259 CarbonylContact O-C 3.59Å; D256-W259 PolarHBondContact O-N 3.36Å; D256-W259 PolarHBondContact OD1-N 2.76Å; W259-L278 HydrophobicContact CB-CD2 4.3Å; W259-L278 HydrophobicContact CE3-CB 3.84Å; W259-L278 HydrophobicContact CZ3-CB 4.43Å; W259-I279 WeakPolarHBondContact CA-O 3.15Å; W259-I279 VanDerWaalsContact CE3-C 3.45Å; W259-P280 HydrophobicContact CE3-CB 4.43Å; W259-P280 HydrophobicContact CH2-CB 4.47Å; W259-P280 HydrophobicContact CZ3-CB 4.29Å; W259-P280 HydrophobicContact CZ3-CG 4.33Å; W259-A314 PolarHBondContact NE1-O 3.1Å; W259-R315 HydrophobicContact CZ2-CG 4.47Å
260W88Confident81.3Confident28 Ų2848.3 Ų48.311%0.10626%0.261CS..EExtended strand (participates in β ladder)trans-105.7141.1176.2-58.5-20.8000110.1L222 L251 E254 L278 I279 A281 V284 L286L222-W260 HydrophobicContact CD1-CD2 4.33Å; L222-W260 HydrophobicContact CD1-CH2 3.93Å; L222-W260 HydrophobicContact CD1-CZ2 3.39Å; L251-W260 HydrophobicContact CD1-CD2 4.08Å; L251-W260 HydrophobicContact CD1-CE3 3.54Å; L251-W260 HydrophobicContact CD1-CZ3 3.82Å; L251-W260 HydrophobicContact CD2-CB 3.98Å; L251-W260 HydrophobicContact CD2-CD2 4.33Å; L251-W260 HydrophobicContact CD2-CE3 3.68Å; L251-W260 HydrophobicContact CD2-CZ3 4.5Å; L251-W260 HydrophobicContact CG-CE3 4.27Å; E254-W260 HydrophobicContact CG-CG 4.28Å; E254-W260 PolarHBondContact OE2-NE1 2.99Å; W260-L278 CarbonylContact O-C 3.59Å; W260-L278 WeakPolarHBondContact O-CA 3.3Å; W260-I279 HydrophobicContact CB-CG1 4.12Å; W260-I279 PolarHBondContact N-O 3.27Å; W260-I279 VanDerWaalsContact O-CG1 3.28Å; W260-I279 WeakPolarHBondContact O-CG1 3.18Å; W260-I279 PolarHBondContact O-N 2.89Å; W260-A281 HydrophobicContact CD2-CB 3.68Å; W260-A281 VanDerWaalsContact CE2-CB 3.41Å; W260-A281 HydrophobicContact CE3-CB 4.07Å; W260-A281 HydrophobicContact CG-CB 4.23Å; W260-A281 HydrophobicContact CH2-CB 4.03Å; W260-A281 HydrophobicContact CZ2-CB 3.61Å; W260-A281 HydrophobicContact CZ3-CB 4.25Å; W260-V284 HydrophobicContact CE3-CG2 3.77Å; W260-V284 HydrophobicContact CZ3-CG2 3.53Å; W260-L286 HydrophobicContact CH2-CD1 4Å; W260-L286 HydrophobicContact CH2-CG 4.21Å; W260-L286 HydrophobicContact CZ3-CG 4.24Å
261F90.8Very high80Confident19 Ų1947.3 Ų47.38%0.08328%0.281CS..EExtended strand (participates in β ladder)trans-87.3124171.1-164.9-109.9000108.8L213 P214 V217 L252 G253 Q276 L278L213-F261 HydrophobicContact CD2-CD1 3.99Å; P214-F261 HydrophobicContact CG-CD1 4.36Å; P214-F261 HydrophobicContact CG-CD2 3.94Å; P214-F261 HydrophobicContact CG-CE1 3.97Å; P214-F261 HydrophobicContact CG-CE2 3.48Å; P214-F261 VanDerWaalsContact CG-CE2 3.48Å; P214-F261 HydrophobicContact CG-CG 4.37Å; P214-F261 HydrophobicContact CG-CZ 3.51Å; V217-F261 HydrophobicContact CB-CB 4.41Å; V217-F261 HydrophobicContact CG1-CB 3.51Å; V217-F261 HydrophobicContact CG1-CG 4.16Å; V217-F261 HydrophobicContact CG2-CB 4Å; V217-F261 HydrophobicContact CG2-CD2 4.37Å; V217-F261 HydrophobicContact CG2-CG 4.25Å; L252-F261 HydrophobicContact CB-CD1 3.93Å; L252-F261 HydrophobicContact CD1-CD1 3.95Å; L252-F261 HydrophobicContact CD1-CE1 3.9Å; L252-F261 PolarHBondContact N-O 2.72Å; G253-F261 PolarHBondContact N-O 2.95Å; G253-F261 PolarHBondContact O-N 3.08Å; F261-Q276 HydrophobicContact CE1-CB 4.34Å; F261-Q276 HydrophobicContact CZ-CB 3.98Å; F261-L278 HydrophobicContact CB-CD2 4.12Å; F261-L278 HydrophobicContact CD2-CD2 4.05Å; F261-L278 HydrophobicContact CD2-CG 4.14Å
262A93Very high78.6Confident0 Ų053.7 Ų53.70%031%0.311CS..EExtended strand (participates in β ladder)trans-139.1160.3-172.400000112.4M241 L249 R250 L251 Q276 G277 I279M241-A262 HydrophobicContact CE-CB 4.05Å; M241-A262 VanDerWaalsContact CE-O 3.25Å; M241-A262 WeakPolarHBondContact CE-O 3.37Å; L249-A262 HydrophobicContact CB-CB 4.25Å; L249-A262 HydrophobicContact CD2-CB 4.5Å; R250-A262 CarbonylContact O-C 3.55Å; R250-A262 VanDerWaalsContact O-CA 3.22Å; R250-A262 WeakPolarHBondContact O-CA 3.35Å; R250-A262 WeakPolarHBondContact O-CB 3.19Å; L251-A262 HydrophobicContact CD2-CB 3.93Å; A262-Q276 VanDerWaalsContact O-CA 3.28Å; A262-Q276 WeakPolarHBondContact O-CA 3.25Å; A262-G277 PolarHBondContact N-O 3.17Å; A262-G277 PolarHBondContact O-N 3.12Å; A262-G277 VanDerWaalsContact O-N 3.08Å; A262-I279 HydrophobicContact CB-CD1 3.59Å; A262-I279 HydrophobicContact CB-CG1 3.92Å; A262-I279 HydrophobicContact CB-CG2 4.4Å
263E94.4Very high77.9Confident22 Ų2258.6 Ų58.610%0.10334%0.343CS..EExtended strand (participates in β ladder)trans-109.6139.3167.263.1179.1-164.500111L249 R250 L252 I265 P275 Q276L249-E263 CarbonylContact C-O 3.59Å; L249-E263 WeakPolarHBondContact CA-O 3.3Å; L249-E263 WeakPolarHBondContact CB-O 3.48Å; R250-E263 HydrophobicContact CB-CG 3.75Å; R250-E263 WeakPolarHBondContact CD-OE1 3.28Å; R250-E263 IonicContact CZ-OE1 3.79Å; R250-E263 VanDerWaalsContact CZ-OE1 3.28Å; R250-E263 PolarHBondContact N-O 3.34Å; R250-E263 IonicContact NE-OE1 3.88Å; R250-E263 IonicContact NH1-OE1 3.98Å; R250-E263 PolarHBondContact NH1-OE1 3.39Å; R250-E263 PolarHBondContact O-N 3.47Å; L252-E263 HydrophobicContact CD1-CB 4.19Å; L252-E263 HydrophobicContact CD1-CG 4.49Å; L252-E263 HydrophobicContact CD2-CG 4.21Å; L252-E263 HydrophobicContact CG-CG 4.43Å; E263-I265 HydrophobicContact CG-CG2 4.04Å; E263-P275 WeakPolarHBondContact CA-O 3.37Å; E263-Q276 HydrophobicContact CB-CG 3.76Å
264L94Very high77.7Confident17 Ų1760 Ų609%0.08935%0.352CS..EExtended strand (participates in β ladder)trans-78.2120.1175-178.465.5000110.5M241 D247 L249 T274 P275M241-L264 HydrophobicContact SD-CB 3.77Å; D247-L264 HydrophobicContact CB-CD1 3.69Å; L249-L264 HydrophobicContact CD2-CD1 4.32Å; L249-L264 HydrophobicContact CG-CD1 4.23Å; L264-T274 WeakPolarHBondContact O-CB 3.27Å; L264-T274 VanDerWaalsContact O-CG2 3.3Å; L264-T274 WeakPolarHBondContact O-CG2 3.39Å; L264-P275 HydrophobicContact CB-CB 4.36Å; L264-P275 HydrophobicContact CD2-CG 4.42Å; L264-P275 PolarHBondContact N-O 3.41Å
265I91.8Very high78.2Confident35 Ų3562.3 Ų62.318%0.17937%0.369CS..  trans-108.2-14.2-176.460.9167.9000114.2Q226 R248 R250 E263 H267 A268Q226-I265 HydrophobicContact CG-CD1 4.12Å; R248-I265 HydrophobicContact CB-CD1 3.88Å; R248-I265 HydrophobicContact CB-CG1 3.58Å; R248-I265 WeakPolarHBondContact O-CG1 3.46Å; R248-I265 PolarHBondContact O-N 2.92Å; R250-I265 HydrophobicContact CB-CG2 4.08Å; E263-I265 HydrophobicContact CG-CG2 4.04Å; I265-H267 VanDerWaalsContact C-N 3.3Å; I265-H267 PolarHBondContact O-N 2.75Å; I265-A268 PolarHBondContact O-N 2.71Å
266T85.3Confident79.1Confident59 Ų5963.9 Ų63.936%0.36238%0.377SS..THydrogen-bonded Turntrans-56.9-42.4-178.4-390000113.2D247 R248D247-T266 WeakPolarHBondContact CA-OG1 3.29Å; D247-T266 WeakPolarHBondContact CB-OG1 3.25Å; D247-T266 VanDerWaalsContact OD1-CB 3.3Å; D247-T266 WeakPolarHBondContact OD1-CB 3.21Å; D247-T266 PolarHBondContact OD1-OG1 3Å; R248-T266 PolarHBondContact N-OG1 2.91Å; R248-T266 PolarHBondContact O-N 3.13Å; R248-T266 PolarHBondContact O-OG1 3.07Å
267H76.2Confident79.9Confident141 Ų14162 Ų6265%0.65337%0.367SS*.THydrogen-bonded Turntrans-111.918.4-171.5-63.3-60.2000112.5D247 I265 S269D247-H267 IonicContact OD1-CD2 3.53Å; D247-H267 IonicContact OD1-NE2 3.74Å; I265-H267 VanDerWaalsContact C-N 3.3Å; I265-H267 PolarHBondContact O-N 2.75Å; H267-S269 PolarHBondContact O-N 3.02Å
268A69.8Low81Confident56 Ų5655.8 Ų55.846%0.46334%0.338SS..  trans-63.6103.9178.200000109.9I265 T274I265-A268 PolarHBondContact O-N 2.71Å; A268-T274 HydrophobicContact CB-CG2 3.57Å
269S66.1Low82Confident72 Ų7253 Ų5350%0.50332%0.323SS..  trans-81.2138.9166.754.30000108.8H267 G271 Q272H267-S269 PolarHBondContact O-N 3.02Å; S269-G271 PolarHBondContact O-N 2.94Å; S269-Q272 PolarHBondContact O-N 2.97Å
270S65.2Low82Confident133 Ų13353.1 Ų53.193%0.9332%0.324SS*.THydrogen-bonded Turntrans-58115.3-176.567.20000110.4
271G66.3Low81.6Confident76 Ų7652.4 Ų52.478%0.78432%0.324SS*.THydrogen-bonded Turntrans96.95.5174.500000116.5S269S269-G271 PolarHBondContact O-N 2.94Å
272Q62.9Low80.7Confident134 Ų13454.6 Ų54.663%0.62634%0.337SS*.SBendtrans-102.2144.5167.6-70.4-61.7-65.300111.1S269 T274S269-Q272 PolarHBondContact O-N 2.97Å; Q272-T274 PolarHBondContact O-N 2.82Å
273P73.5Confident80.3Confident116 Ų11654.8 Ų54.875%0.75334%0.337SS*.PPolyproline II helixtrans-60.3124.4171.725.3-31.5000108.7
274T81.8Confident80Confident31 Ų3154 Ų5419%0.1933%0.334CS..PPolyproline II helixtrans-70.713917245.30000108.9L264 A268 Q272 Q276L264-T274 WeakPolarHBondContact O-CB 3.27Å; L264-T274 VanDerWaalsContact O-CG2 3.3Å; L264-T274 WeakPolarHBondContact O-CG2 3.39Å; A268-T274 HydrophobicContact CB-CG2 3.57Å; Q272-T274 PolarHBondContact O-N 2.82Å; T274-Q276 PolarHBondContact O-N 2.86Å
275P89.3Confident79.6Confident75 Ų7559.6 Ų59.649%0.48736%0.358SS..PPolyproline II helixtrans-51.3137169.5-25.734.5000110.5M241 E263 L264M241-P275 HydrophobicContact CG-CB 4.38Å; M241-P275 VanDerWaalsContact SD-C 3.51Å; M241-P275 HydrophobicContact SD-CB 3.89Å; E263-P275 WeakPolarHBondContact CA-O 3.37Å; L264-P275 HydrophobicContact CB-CB 4.36Å; L264-P275 HydrophobicContact CD2-CG 4.42Å; L264-P275 PolarHBondContact N-O 3.41Å
276Q92.7Very high79.5Confident93 Ų9360.3 Ų60.344%0.43536%0.361SS..EExtended strand (participates in β ladder)trans-130.1147176.7-69.7-178-16.900109.1L252 F261 A262 E263 T274L252-Q276 HydrophobicContact CD1-CG 4.2Å; F261-Q276 HydrophobicContact CE1-CB 4.34Å; F261-Q276 HydrophobicContact CZ-CB 3.98Å; A262-Q276 VanDerWaalsContact O-CA 3.28Å; A262-Q276 WeakPolarHBondContact O-CA 3.25Å; E263-Q276 HydrophobicContact CB-CG 3.76Å; T274-Q276 PolarHBondContact O-N 2.86Å
277G90.6Very high79.6Confident1 Ų159.8 Ų59.81%0.0136%0.356CS..EExtended strand (participates in β ladder)trans172.2175.5176.400000111.9E239 A262E239-G277 CarbonylContact O-C 3.43Å; E239-G277 VanDerWaalsContact O-CA 3.27Å; E239-G277 WeakPolarHBondContact O-CA 3.43Å; A262-G277 PolarHBondContact N-O 3.17Å; A262-G277 PolarHBondContact O-N 3.12Å; A262-G277 VanDerWaalsContact O-N 3.08Å
278L86Confident79.5Confident3 Ų358 Ų582%0.01636%0.36CS..EExtended strand (participates in β ladder)trans-71.7138.5173.5-66.8165.2000110.3V217 E239 E240 M241 E255 W259 W260 F261V217-L278 HydrophobicContact CG2-CD2 4.22Å; E239-L278 HydrophobicContact CB-CD1 4.31Å; E239-L278 PolarHBondContact O-N 2.89Å; E240-L278 WeakPolarHBondContact CA-O 3.35Å; E240-L278 HydrophobicContact CG-CB 4.47Å; M241-L278 PolarHBondContact N-O 3.03Å; E255-L278 HydrophobicContact CB-CD2 3.73Å; E255-L278 WeakPolarHBondContact OE1-CD1 3.37Å; E255-L278 WeakPolarHBondContact OE2-CD1 3.38Å; W259-L278 HydrophobicContact CB-CD2 4.3Å; W259-L278 HydrophobicContact CE3-CB 3.84Å; W259-L278 HydrophobicContact CZ3-CB 4.43Å; W260-L278 CarbonylContact O-C 3.59Å; W260-L278 WeakPolarHBondContact O-CA 3.3Å; F261-L278 HydrophobicContact CB-CD2 4.12Å; F261-L278 HydrophobicContact CD2-CD2 4.05Å; F261-L278 HydrophobicContact CD2-CG 4.14Å
279I88.2Confident78.9Confident0 Ų062.3 Ų62.30%038%0.375CS..EExtended strand (participates in β ladder)trans-129.9144177.962.9166000109.8M241 F243 L249 L251 W259 W260 A262 A281 V284M241-I279 HydrophobicContact CB-CG2 4.27Å; M241-I279 HydrophobicContact CE-CG2 3.59Å; F243-I279 HydrophobicContact CD1-CG2 3.84Å; F243-I279 HydrophobicContact CE1-CB 3.75Å; F243-I279 HydrophobicContact CE1-CG2 3.56Å; F243-I279 HydrophobicContact CZ-CB 4.5Å; L249-I279 HydrophobicContact CD2-CD1 4.16Å; L249-I279 HydrophobicContact CD2-CG2 4.14Å; L251-I279 HydrophobicContact CD2-CD1 4.04Å; W259-I279 WeakPolarHBondContact CA-O 3.15Å; W259-I279 VanDerWaalsContact CE3-C 3.45Å; W260-I279 HydrophobicContact CB-CG1 4.12Å; W260-I279 PolarHBondContact N-O 3.27Å; W260-I279 VanDerWaalsContact O-CG1 3.28Å; W260-I279 WeakPolarHBondContact O-CG1 3.18Å; W260-I279 PolarHBondContact O-N 2.89Å; A262-I279 HydrophobicContact CB-CD1 3.59Å; A262-I279 HydrophobicContact CB-CG1 3.92Å; A262-I279 HydrophobicContact CB-CG2 4.4Å; I279-A281 PolarHBondContact O-N 3.45Å; I279-V284 HydrophobicContact CD1-CG1 3.9Å; I279-V284 HydrophobicContact CD1-CG2 4.3Å
280P76Confident77.9Confident4 Ų466.2 Ų66.23%0.02639%0.39CS..EExtended strand (participates in β ladder)trans-74.1121.1176.326-29.3000110.5F233 N258 W259 N282 Y283F233-P280 HydrophobicContact CD2-CG 3.66Å; F233-P280 HydrophobicContact CE2-CG 3.67Å; F233-P280 HydrophobicContact CG-CG 4.13Å; F233-P280 HydrophobicContact CZ-CG 4.16Å; N258-P280 CarbonylContact O-C 3.42Å; N258-P280 VanDerWaalsContact O-CA 3.27Å; N258-P280 WeakPolarHBondContact O-CA 3.19Å; W259-P280 HydrophobicContact CE3-CB 4.43Å; W259-P280 HydrophobicContact CH2-CB 4.47Å; W259-P280 HydrophobicContact CZ3-CB 4.29Å; W259-P280 HydrophobicContact CZ3-CG 4.33Å; P280-N282 WeakPolarHBondContact CB-OD1 3.12Å; P280-N282 PolarHBondContact O-N 2.79Å; P280-Y283 HydrophobicContact CB-CD2 3.76Å; P280-Y283 HydrophobicContact CB-CE2 4.31Å; P280-Y283 HydrophobicContact CB-CG 4.41Å; P280-Y283 HydrophobicContact CG-CD1 4.44Å; P280-Y283 HydrophobicContact CG-CD2 3.44Å; P280-Y283 VanDerWaalsContact CG-CD2 3.44Å; P280-Y283 HydrophobicContact CG-CE2 4Å; P280-Y283 HydrophobicContact CG-CG 3.7Å; P280-Y283 WeakPolarHBondContact O-CB 3.43Å; P280-Y283 PolarHBondContact O-N 3.29Å
281A78.8Confident76.4Confident13 Ų1366.1 Ų66.111%0.10738%0.384CS..G310 helixtrans-54.8-36.8-178.100000112.2E257 N258 W260 I279 Y283 V284E257-A281 WeakPolarHBondContact O-CB 3.43Å; N258-A281 WeakPolarHBondContact O-CB 2.81Å; N258-A281 PolarHBondContact O-N 3.25Å; W260-A281 HydrophobicContact CD2-CB 3.68Å; W260-A281 VanDerWaalsContact CE2-CB 3.41Å; W260-A281 HydrophobicContact CE3-CB 4.07Å; W260-A281 HydrophobicContact CG-CB 4.23Å; W260-A281 HydrophobicContact CH2-CB 4.03Å; W260-A281 HydrophobicContact CZ2-CB 3.61Å; W260-A281 HydrophobicContact CZ3-CB 4.25Å; I279-A281 PolarHBondContact O-N 3.45Å; A281-Y283 PolarHBondContact O-N 3.01Å; A281-V284 WeakPolarHBondContact O-CG2 3.27Å; A281-V284 PolarHBondContact O-N 3.32Å
282N72.2Confident75.1Confident66 Ų6667.6 Ų67.635%0.35338%0.383SS..G310 helixtrans-70.9-11.3177.366-21.7000113.9K230 P280K230-N282 WeakPolarHBondContact CE-O 3.09Å; K230-N282 PolarHBondContact NZ-O 3.36Å; P280-N282 WeakPolarHBondContact CB-OD1 3.12Å; P280-N282 PolarHBondContact O-N 2.79Å
283Y85.8Confident73.8Confident3 Ų366.1 Ų66.11%0.01239%0.387CS..G310 helixtrans-89.3-10.9173.8-81.4-121.1000113.5K230 F231 D232 F233 F243 P280 A281 Q308 P309 A311K230-Y283 WeakPolarHBondContact CB-O 3.4Å; K230-Y283 PolarHBondContact N-O 3.44Å; F231-Y283 HydrophobicContact CB-CD1 3.8Å; F231-Y283 HydrophobicContact CB-CE1 4.12Å; F231-Y283 HydrophobicContact CD2-CD1 4.15Å; F231-Y283 HydrophobicContact CD2-CG 4.27Å; F231-Y283 HydrophobicContact CG-CD1 4.47Å; D232-Y283 VanDerWaalsContact O-CE1 3.32Å; D232-Y283 WeakPolarHBondContact O-CE1 3.34Å; F233-Y283 HydrophobicContact CB-CD1 3.95Å; F233-Y283 HydrophobicContact CB-CE1 4.23Å; F233-Y283 HydrophobicContact CD2-CD1 4.31Å; F233-Y283 HydrophobicContact CD2-CE1 4.11Å; F243-Y283 HydrophobicContact CE2-CD1 4.46Å; F243-Y283 HydrophobicContact CZ-CD1 4.42Å; F243-Y283 HydrophobicContact CZ-CG 4.41Å; P280-Y283 HydrophobicContact CB-CD2 3.76Å; P280-Y283 HydrophobicContact CB-CE2 4.31Å; P280-Y283 HydrophobicContact CB-CG 4.41Å; P280-Y283 HydrophobicContact CG-CD1 4.44Å; P280-Y283 HydrophobicContact CG-CD2 3.44Å; P280-Y283 VanDerWaalsContact CG-CD2 3.44Å; P280-Y283 HydrophobicContact CG-CE2 4Å; P280-Y283 HydrophobicContact CG-CG 3.7Å; P280-Y283 WeakPolarHBondContact O-CB 3.43Å; P280-Y283 PolarHBondContact O-N 3.29Å; A281-Y283 PolarHBondContact O-N 3.01Å; Y283-Q308 HydrophobicContact CE1-CG 4.2Å; Y283-P309 HydrophobicContact CD2-CG 4.31Å; Y283-P309 HydrophobicContact CE2-CB 3.77Å; Y283-P309 HydrophobicContact CE2-CG 3.85Å; Y283-P309 PolarHBondContact OH-O 2.74Å; Y283-A311 PolarHBondContact OH-N 2.74Å
284V87.1Confident71.9Confident5 Ų565.7 Ų65.73%0.0339%0.387CS..EExtended strand (participates in β ladder)trans-115.9167.1-177.4-640000112.5C227 V228 K230 F243 L249 W260 I279 A281C227-V284 HydrophobicContact CB-CB 4.03Å; C227-V284 HydrophobicContact CB-CG2 4.23Å; V228-V284 CarbonylContact O-C 3.54Å; V228-V284 VanDerWaalsContact O-CA 3.3Å; V228-V284 WeakPolarHBondContact O-CA 3.06Å; K230-V284 WeakPolarHBondContact CE-O 3.09Å; K230-V284 PolarHBondContact NZ-O 3.35Å; F243-V284 HydrophobicContact CZ-CG1 4.4Å; L249-V284 HydrophobicContact CD1-CG1 4.05Å; W260-V284 HydrophobicContact CE3-CG2 3.77Å; W260-V284 HydrophobicContact CZ3-CG2 3.53Å; I279-V284 HydrophobicContact CD1-CG1 3.9Å; I279-V284 HydrophobicContact CD1-CG2 4.3Å; A281-V284 WeakPolarHBondContact O-CG2 3.27Å; A281-V284 PolarHBondContact O-N 3.32Å
285K86.5Confident69.7Low136 Ų13670.7 Ų70.759%0.59142%0.417SS*.EExtended strand (participates in β ladder)trans-128.8120.1172.3-177.8179.7178.5-179.60109.2C227 V228 K230C227-K285 CarbonylContact C-O 3.58Å; C227-K285 WeakPolarHBondContact CA-O 3.21Å; C227-K285 VanDerWaalsContact CB-O 3.32Å; C227-K285 WeakPolarHBondContact CB-O 3.48Å; V228-K285 HydrophobicContact CG1-CB 4.08Å; V228-K285 PolarHBondContact N-O 3.45Å; V228-K285 PolarHBondContact O-N 3.28Å; K230-K285 HydrophobicContact CD-CB 4.12Å; K230-K285 HydrophobicContact CG-CB 4.04Å
286L88.4Confident67.2Low49 Ų4973.3 Ų73.326%0.25743%0.432SS..EExtended strand (participates in β ladder)trans-60.8135.4173.3-78162.7000111.2L222 R225 C227 L251 W260L222-L286 HydrophobicContact CD1-CD1 4.46Å; L222-L286 HydrophobicContact CD2-CD1 3.83Å; R225-L286 HydrophobicContact CB-CD2 3.85Å; C227-L286 HydrophobicContact CB-CD2 4.42Å; L251-L286 HydrophobicContact CD1-CD2 3.72Å; W260-L286 HydrophobicContact CH2-CD1 4Å; W260-L286 HydrophobicContact CH2-CG 4.21Å; W260-L286 HydrophobicContact CZ3-CG 4.24Å
287L87.3Confident64.7Low49 Ų4973.5 Ų73.526%0.25744%0.443SS..PPolyproline II helixtrans-82.8138.6172.7-59.3178.4000109.6R225 Q226 V228R225-L287 PolarHBondContact NH2-O 3.23Å; Q226-L287 HydrophobicContact CB-CD1 4.02Å; Q226-L287 WeakPolarHBondContact O-CB 3.22Å; Q226-L287 PolarHBondContact O-N 3.45Å; V228-L287 HydrophobicContact CB-CD2 4.46Å; V228-L287 HydrophobicContact CG1-CD2 4.09Å
288S74.8Confident62Low103 Ų10380.8 Ų80.872%0.7248%0.482SS*.PPolyproline II helixtrans-83.3126.5176.551.80000110.7N290S288-N290 VanDerWaalsContact C-N 3.32Å; S288-N290 PolarHBondContact O-N 3Å
289N58.1Low59.6Low146 Ų14688.6 Ų88.678%0.78152%0.52SS*.  trans-78.978.1170.4-74.4-3000109.5
290N43.7Very low56.8Low154 Ų154100.9 Ų100.982%0.82457%0.567SS**  trans-132.1116.7166.9-1125.8000111.2S288S288-N290 VanDerWaalsContact C-N 3.32Å; S288-N290 PolarHBondContact O-N 3Å
291T35.4Very low54.8Low131 Ų131105.8 Ų105.880%0.80460%0.601SS**  trans-67.9145.7177.4-38.90000110.5
292S38.1Very low52.5Low108 Ų108111.8 Ų111.876%0.75563%0.631SS**  trans89.6123.9162.267.20000121.2
293S36.2Very low50.5Low102 Ų102114.4 Ų114.471%0.71365%0.652SS**  trans70.495.3154.351.30000120.9
294S32.9Very low47.8Very low108 Ų108118.9 Ų118.976%0.75568%0.684SS**  27.411212355.80000118.9
295T35.4Very low45.4Very low136 Ų136128.6 Ų128.683%0.83473%0.725SS**  -154.1122.7124.4-690000108.3S297T295-S297 PolarHBondContact O-N 2.95Å
296V37.5Very low42.8Very low129 Ų129127 Ų12778%0.78273%0.727SS**  trans-71.6112.2174.5177.80000107.9
297S39.2Very low40.2Very low97 Ų97130.1 Ų130.168%0.67875%0.75SS**  trans-113.298.3162.756.90000108.9T295 M299T295-S297 PolarHBondContact O-N 2.95Å; S297-M299 PolarHBondContact O-N 3.23Å
298N34.4Very low37.8Very low155 Ų155133.1 Ų133.183%0.82976%0.763SS**  trans-57.198.9161.7-91.5-21.8000108.8
299M35.1Very low36.1Very low166 Ų166130 Ų13082%0.81874%0.74SS**  trans-111.192.2163.6-77.6-90.3178.400107S297 S301S297-M299 PolarHBondContact O-N 3.23Å; M299-S301 VanDerWaalsContact C-N 3.31Å; M299-S301 PolarHBondContact O-N 3.38Å; M299-S301 VanDerWaalsContact O-N 3.08Å
300R29.6Very low35.3Very low259 Ų259126.9 Ų126.998%0.97773%0.73SS**  trans-74.286.7169.4-162.6178.5-167.1-1653.5106.9
301S34.4Very low35.3Very low106 Ų106121.2 Ų121.274%0.74170%0.704SS**  trans-104.2123.1171.557.50000110.1M299M299-S301 VanDerWaalsContact C-N 3.31Å; M299-S301 PolarHBondContact O-N 3.38Å; M299-S301 VanDerWaalsContact O-N 3.08Å
302N30.3Very low35.6Very low140 Ų140121.2 Ų121.275%0.74970%0.695SS**  trans-34.4139.1174.8-134.310000113.6S304N302-S304 PolarHBondContact O-N 3.48Å
303P31.1Very low35.7Very low121 Ų121119.6 Ų119.679%0.78668%0.677SS**  trans-77.180.1173.333.4-30.1000108.2K305P303-K305 PolarHBondContact O-N 2.88Å
304S29.2Very low35.3Very low97 Ų97116.3 Ų116.368%0.67866%0.656SS**  trans-65.6115.4158.5-70.60000106.2N302 V306N302-S304 PolarHBondContact O-N 3.48Å; S304-V306 VanDerWaalsContact C-N 3.27Å; S304-V306 PolarHBondContact O-N 3.33Å
305K35.5Very low35.3Very low208 Ų208113.4 Ų113.490%0.90463%0.629SS**  trans-54.685.3-179.3-144178.4-172.6-170.50109.2P303 P307P303-K305 PolarHBondContact O-N 2.88Å; K305-P307 WeakPolarHBondContact O-CD 3.26Å
306V32.7Very low35.1Very low104 Ų104108 Ų10863%0.6360%0.598SS**PPolyproline II helixtrans-61.9123.8170.5-178.50000105.2S304 Q308S304-V306 VanDerWaalsContact C-N 3.27Å; S304-V306 PolarHBondContact O-N 3.33Å; V306-Q308 PolarHBondContact O-N 3.11Å; V306-Q308 VanDerWaalsContact O-N 3.14Å
307P34.2Very low35.1Very low113 Ų113105.5 Ų105.573%0.73458%0.583SS**PPolyproline II helixtrans-54.6125178.8-2130.6000108.8K305K305-P307 WeakPolarHBondContact O-CD 3.26Å
308Q36Very low34.8Very low112 Ų112105.9 Ų105.952%0.52358%0.578SS.*PPolyproline II helixtrans-60132.9168.3-171.8175.7-6.700106.9F231 D232 Y283 V306F231-Q308 HydrophobicContact CB-CG 4.27Å; D232-Q308 PolarHBondContact O-NE2 2.61Å; Y283-Q308 HydrophobicContact CE1-CG 4.2Å; V306-Q308 PolarHBondContact O-N 3.11Å; V306-Q308 VanDerWaalsContact O-N 3.14Å
309P38.2Very low34.9Very low39 Ų39103.3 Ų103.325%0.25357%0.565SS.*PPolyproline II helixtrans-55.5151.9173.5-1626.6000109.6F231 Y283 A311F231-P309 HydrophobicContact CD2-CG 4.28Å; F231-P309 HydrophobicContact CE2-CG 4.06Å; Y283-P309 HydrophobicContact CD2-CG 4.31Å; Y283-P309 HydrophobicContact CE2-CB 3.77Å; Y283-P309 HydrophobicContact CE2-CG 3.85Å; Y283-P309 PolarHBondContact OH-O 2.74Å; P309-A311 PolarHBondContact O-N 3.32Å
310S42.4Very low34.9Very low80 Ų8099.8 Ų99.856%0.55955%0.551SS**PPolyproline II helixtrans-70.3123.5168.2-61.50000108.2Q312S310-Q312 PolarHBondContact O-N 2.84Å; S310-Q312 VanDerWaalsContact O-N 3.1Å
311A43.4Very low35.2Very low34 Ų3490.5 Ų90.528%0.28153%0.526SS..THydrogen-bonded Turntrans-62.1-15.1177.600000113.1F233 Y283 P309 I313F233-A311 HydrophobicContact CD2-CB 4.34Å; F233-A311 HydrophobicContact CE2-CB 4.02Å; Y283-A311 PolarHBondContact OH-N 2.74Å; P309-A311 PolarHBondContact O-N 3.32Å; A311-I313 PolarHBondContact O-N 2.97Å; A311-I313 VanDerWaalsContact O-N 3.11Å
312Q41Very low35.2Very low132 Ų13289.5 Ų89.562%0.61751%0.512SS*.THydrogen-bonded Turntrans-76.510-177.6-68.9179.7-2600114.9R67 S310R67-Q312 PolarHBondContact NH2-O 3.06Å; S310-Q312 PolarHBondContact O-N 2.84Å; S310-Q312 VanDerWaalsContact O-N 3.1Å
313I40.5Very low35.5Very low73 Ų7386.1 Ų86.137%0.37450%0.497SS..SBendtrans-100.793.6176.4-49.6-179.3000107.6A311A311-I313 PolarHBondContact O-N 2.97Å; A311-I313 VanDerWaalsContact O-N 3.11Å
314A28.5Very low35.9Very low33 Ų3383.6 Ų83.627%0.27348%0.476SS..SBendtrans134.716.3150.600000118.5N258 W259N258-A314 HydrophobicContact CB-CB 3.95Å; W259-A314 PolarHBondContact NE1-O 3.1Å
315R33.1Very low36.4Very low47 Ų4782.6 Ų82.618%0.17746%0.46CS..  trans-129.676.4160.2-96.2178.6162.2-148.8-10111.2E239 E255 W259 T317E239-R315 IonicContact OE2-CZ 2.69Å; E239-R315 IonicContact OE2-NH1 3.59Å; E239-R315 PolarHBondContact OE2-NH1 3.4Å; E239-R315 IonicContact OE2-NH2 3.57Å; E255-R315 IonicContact OE1-NH2 3.02Å; E255-R315 PolarHBondContact OE1-NH2 2.84Å; E255-R315 IonicContact OE2-NE 2.71Å; E255-R315 IonicContact OE2-NH2 2.76Å; W259-R315 HydrophobicContact CZ2-CG 4.47Å; R315-T317 VanDerWaalsContact C-N 3.34Å
316A31.1Very low36.4Very low24 Ų2472.2 Ų72.220%0.19842%0.423CS..BIsolated β-bridgetrans-100.784.2142.100000104.6H115 F116H115-A316 HydrophobicContact CB-CB 4.5Å; H115-A316 VanDerWaalsContact N-CB 3.3Å; H115-A316 WeakPolarHBondContact O-CB 3.41Å; F116-A316 HydrophobicContact CD1-CB 4.01Å; F116-A316 HydrophobicContact CE1-CB 4.1Å; F116-A316 HydrophobicContact CG-CB 4.4Å
317T36.3Very low36.8Very low75 Ų7569.3 Ų69.346%0.4641%0.405SS..  trans-50.50152.531.50000108.6F116 I128 W129 R315F116-T317 WeakPolarHBondContact CD1-O 3.49Å; F116-T317 WeakPolarHBondContact CE1-O 3.47Å; I128-T317 WeakPolarHBondContact CG2-OXT 3.47Å; W129-T317 HydrophobicContact CH2-CG2 4.44Å; W129-T317 WeakPolarHBondContact CH2-O 3.31Å; W129-T317 WeakPolarHBondContact CH2-OG1 3.41Å; W129-T317 WeakPolarHBondContact CH2-OXT 3.39Å; W129-T317 WeakPolarHBondContact CZ2-O 3.39Å; W129-T317 WeakPolarHBondContact CZ2-OXT 3.45Å; W129-T317 HydrophobicContact CZ3-CG2 4.22Å; R315-T317 VanDerWaalsContact C-N 3.34Å

Retrieved 317 of 317 residues in 294.3 ms (Link to these results)

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