A0A087YF82_POEFO Loading...

Repressor of RNA polymerase III transcription MAF1

Element of the TORC1 signaling pathway that acts as a mediator of diverse signals and that represses RNA polymerase III transcription. Inhibits the de novo assembly of TFIIIB onto DNA.

AlphaFold DB , UniProt , Accession A0A087YF82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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
1M86.8Confident93.9Very high11 Ų1176.3 Ų76.35%0.05441%0.412CS..  0150.20-72.3-66.1121.400108.5Y32 S33 C34 F94 Y95 T98 E102M1-Y32 HydrophobicContact CB-CD1 4.04Å; M1-S33 VanDerWaalsContact SD-O 3.41Å; M1-C34 VanDerWaalsContact SD-CA 3.56Å; M1-C34 HydrophobicContact SD-CB 4.2Å; M1-F94 HydrophobicContact CE-CE1 4.37Å; M1-Y95 HydrophobicContact CE-CD1 3.3Å; M1-Y95 HydrophobicContact CE-CE1 3.75Å; M1-Y95 HydrophobicContact CE-CG 4.19Å; M1-Y95 HydrophobicContact SD-CD1 4.3Å; M1-T98 VanDerWaalsContact CE-OG1 3.32Å; M1-T98 WeakPolarHBondContact CE-OG1 3.36Å; M1-T98 VanDerWaalsContact CG-OG1 3.28Å; M1-T98 WeakPolarHBondContact CG-OG1 3.43Å; M1-E102 HydrophobicContact CB-CG 4.16Å; M1-E102 WeakPolarHBondContact O-CG 3.1Å
2K91.3Very high94Very high145 Ų14570.8 Ų70.863%0.6338%0.382SS*.EExtended strand (participates in β ladder)trans-104.4122178.5-178.4179.1176.6-178.90111.2Y32 S33K2-Y32 CarbonylContact O-C 3.55Å; K2-Y32 WeakPolarHBondContact O-CA 3.48Å; K2-S33 PolarHBondContact N-O 3.44Å; K2-S33 PolarHBondContact O-N 3.16Å
3L93.8Very high94Very high90 Ų9066.6 Ų66.647%0.47136%0.362SS..EExtended strand (participates in β ladder)trans-61.4137.3171.2-174.768.2000110.7E30 Y32L3-E30 HydrophobicContact CD1-CB 3.92Å; L3-E30 HydrophobicContact CD1-CG 4.15Å; L3-Y32 HydrophobicContact CB-CD1 4.28Å; L3-Y32 HydrophobicContact CB-CE1 3.98Å; L3-Y32 HydrophobicContact CD1-CD1 4.35Å; L3-Y32 HydrophobicContact CD1-CE1 3.84Å; L3-Y32 HydrophobicContact CD1-CE2 4.25Å
4L94.8Very high94Very high44 Ų4468.1 Ų68.123%0.2338%0.38CS..EExtended strand (participates in β ladder)trans-109.9122.1175.6-58.1179000108.2N6 S31 R197L4-N6 PolarHBondContact O-N 2.88Å; L4-S31 WeakPolarHBondContact CB-O 3.34Å; L4-S31 PolarHBondContact N-O 2.96Å; L4-R197 HydrophobicContact CD1-CG 4.24Å
5E94.3Very high93.9Very high186 Ų18670.1 Ų70.187%0.86938%0.379SS*.  trans-63.3130.7177.9-66.8174.2-169.600110.7
6N94.6Very high93.7Very high27 Ų2765.9 Ų65.914%0.14436%0.356CS..  trans-148.2105.8176.6-176.1-43.6000108.9L4 S8 F9 E10 E157L4-N6 PolarHBondContact O-N 2.88Å; N6-S8 VanDerWaalsContact C-N 3.26Å; N6-S8 PolarHBondContact O-N 3.37Å; N6-S8 WeakPolarHBondContact OD1-CA 3.45Å; N6-S8 VanDerWaalsContact OD1-CB 3.29Å; N6-S8 WeakPolarHBondContact OD1-CB 3.38Å; N6-S8 PolarHBondContact OD1-N 2.98Å; N6-F9 HydrophobicContact CB-CB 4.09Å; N6-F9 HydrophobicContact CB-CD2 4.12Å; N6-F9 HydrophobicContact CB-CG 4.09Å; N6-F9 WeakPolarHBondContact O-CB 3.31Å; N6-F9 PolarHBondContact O-N 3.06Å; N6-F9 VanDerWaalsContact O-N 3.08Å; N6-F9 PolarHBondContact OD1-N 3.02Å; N6-F9 VanDerWaalsContact OD1-N 3.07Å; N6-E10 PolarHBondContact O-N 3.25Å; N6-E10 VanDerWaalsContact O-N 3.1Å; N6-E157 PolarHBondContact ND2-OE2 2.99Å
7S94.8Very high93.5Very high92 Ų9265.9 Ų65.964%0.64336%0.362SS*.Hα-helixtrans-63.9-29.4-176.953.90000113.4F9 E10 A11S7-F9 VanDerWaalsContact C-N 3.34Å; S7-E10 PolarHBondContact O-N 3.02Å; S7-A11 WeakPolarHBondContact O-CB 3.32Å; S7-A11 PolarHBondContact O-N 3.1Å
8S95.8Very high93.3Very high65 Ų6564.8 Ų64.846%0.45536%0.357SS..Hα-helixtrans-65.8-39.8174.1-56.40000111N6 A11 L12N6-S8 VanDerWaalsContact C-N 3.26Å; N6-S8 PolarHBondContact O-N 3.37Å; N6-S8 WeakPolarHBondContact OD1-CA 3.45Å; N6-S8 VanDerWaalsContact OD1-CB 3.29Å; N6-S8 WeakPolarHBondContact OD1-CB 3.38Å; N6-S8 PolarHBondContact OD1-N 2.98Å; S8-A11 PolarHBondContact O-N 3.22Å; S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 VanDerWaalsContact O-CG 3.27Å; S8-L12 WeakPolarHBondContact O-CG 3.37Å; S8-L12 PolarHBondContact O-N 2.9Å
9F96.9Very high92.9Very high4 Ų468.7 Ų68.72%0.01837%0.372CS..Hα-helixtrans-69.4-38176.8-75.94.2000112.4N6 S7 L12 S13 I29 A153 I154 E157 V199N6-F9 HydrophobicContact CB-CB 4.09Å; N6-F9 HydrophobicContact CB-CD2 4.12Å; N6-F9 HydrophobicContact CB-CG 4.09Å; N6-F9 WeakPolarHBondContact O-CB 3.31Å; N6-F9 PolarHBondContact O-N 3.06Å; N6-F9 VanDerWaalsContact O-N 3.08Å; N6-F9 PolarHBondContact OD1-N 3.02Å; N6-F9 VanDerWaalsContact OD1-N 3.07Å; S7-F9 VanDerWaalsContact C-N 3.34Å; F9-L12 PolarHBondContact O-N 3.25Å; F9-S13 VanDerWaalsContact O-CB 3.27Å; F9-S13 WeakPolarHBondContact O-CB 3.47Å; F9-S13 PolarHBondContact O-N 3.31Å; F9-S13 PolarHBondContact O-OG 3.28Å; F9-I29 HydrophobicContact CB-CB 4.49Å; F9-I29 HydrophobicContact CD1-CG2 4.01Å; F9-I29 HydrophobicContact CD2-CB 4.44Å; F9-I29 HydrophobicContact CD2-CG2 3.73Å; F9-I29 HydrophobicContact CE1-CG2 4.02Å; F9-I29 HydrophobicContact CE2-CG2 3.74Å; F9-I29 HydrophobicContact CG-CB 4.31Å; F9-I29 HydrophobicContact CG-CG2 3.86Å; F9-I29 HydrophobicContact CZ-CG2 3.89Å; F9-A153 HydrophobicContact CD1-CB 4.34Å; F9-A153 HydrophobicContact CE1-CB 4.06Å; F9-I154 HydrophobicContact CE1-CG1 4.21Å; F9-I154 HydrophobicContact CZ-CG1 4.3Å; F9-E157 HydrophobicContact CE1-CB 4.29Å; F9-E157 HydrophobicContact CE2-CB 4.33Å; F9-E157 HydrophobicContact CE2-CG 3.86Å; F9-E157 HydrophobicContact CZ-CB 3.67Å; F9-E157 HydrophobicContact CZ-CG 3.72Å; F9-V199 HydrophobicContact CE2-CG1 3.84Å; F9-V199 HydrophobicContact CE2-CG2 3.95Å; F9-V199 HydrophobicContact CZ-CG1 3.95Å; F9-V199 HydrophobicContact CZ-CG2 4.07Å
10E95.1Very high92.4Very high119 Ų11967.3 Ų67.356%0.55637%0.366SS*.Hα-helixtrans-62.2-45.4173.6-69.7173.1-170.900111.6N6 S7 S13 S14N6-E10 PolarHBondContact O-N 3.25Å; N6-E10 VanDerWaalsContact O-N 3.1Å; S7-E10 PolarHBondContact O-N 3.02Å; E10-S13 PolarHBondContact O-N 3.37Å; E10-S14 PolarHBondContact O-N 3.42Å; E10-S14 PolarHBondContact O-OG 3.41Å
11A95.2Very high91.8Very high56 Ų5667.9 Ų67.946%0.46339%0.388SS..Hα-helixtrans-64-43.3177.100000112.2S7 S8 S14 R15S7-A11 WeakPolarHBondContact O-CB 3.32Å; S7-A11 PolarHBondContact O-N 3.1Å; S8-A11 PolarHBondContact O-N 3.22Å; A11-S14 PolarHBondContact O-N 3.4Å; A11-R15 WeakPolarHBondContact O-CG 3.18Å; A11-R15 PolarHBondContact O-N 3.39Å; A11-R15 VanDerWaalsContact O-N 3.16Å
12L94.9Very high91.6Very high10 Ų1074.7 Ų74.75%0.05242%0.42CS..Hα-helixtrans-66.7-43.6177.1-76.4166.9000112.1S8 F9 S14 R15 L16 I29 V146 E149 L150 A153S8-L12 WeakPolarHBondContact O-CB 3.39Å; S8-L12 VanDerWaalsContact O-CG 3.27Å; S8-L12 WeakPolarHBondContact O-CG 3.37Å; S8-L12 PolarHBondContact O-N 2.9Å; F9-L12 PolarHBondContact O-N 3.25Å; L12-S14 VanDerWaalsContact C-N 3.27Å; L12-S14 PolarHBondContact O-N 2.74Å; L12-R15 CarbonylContact O-C 3.55Å; L12-R15 PolarHBondContact O-N 3.16Å; L12-R15 VanDerWaalsContact O-N 3.1Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.48Å; L12-I29 HydrophobicContact CB-CD1 3.9Å; L12-I29 HydrophobicContact CD1-CD1 4.5Å; L12-V146 HydrophobicContact CD2-CG1 4.4Å; L12-E149 HydrophobicContact CD2-CB 4.27Å; L12-L150 HydrophobicContact CD1-CD1 4.46Å; L12-L150 HydrophobicContact CD2-CB 4.43Å; L12-A153 HydrophobicContact CD1-CB 3.48Å; L12-A153 VanDerWaalsContact CD1-CB 3.48Å
13S94.4Very high91.4Very high17 Ų1768.4 Ų68.412%0.11939%0.394CS..Hα-helixtrans-60-40.7177.1-58.90000111F9 E10 R15 L16 C17 I29F9-S13 VanDerWaalsContact O-CB 3.27Å; F9-S13 WeakPolarHBondContact O-CB 3.47Å; F9-S13 PolarHBondContact O-N 3.31Å; F9-S13 PolarHBondContact O-OG 3.28Å; E10-S13 PolarHBondContact O-N 3.37Å; S13-R15 VanDerWaalsContact C-N 3.32Å; S13-R15 PolarHBondContact O-N 3.33Å; S13-L16 CarbonylContact O-C 3.51Å; S13-L16 PolarHBondContact O-N 2.87Å; S13-C17 PolarHBondContact O-N 3.47Å; S13-C17 PolarHBondContact O-SG 3.39Å; S13-I29 PolarHBondContact OG-N 3.08Å
14S93.1Very high91.3Very high87 Ų8770.3 Ų70.361%0.60840%0.395SS*.Hα-helixtrans-61.9-39.2175.3-57.50000112.3E10 A11 L12 C17E10-S14 PolarHBondContact O-N 3.42Å; E10-S14 PolarHBondContact O-OG 3.41Å; A11-S14 PolarHBondContact O-N 3.4Å; L12-S14 VanDerWaalsContact C-N 3.27Å; L12-S14 PolarHBondContact O-N 2.74Å; S14-C17 PolarHBondContact O-N 2.82Å
15R92.3Very high91.1Very high99 Ų9968.2 Ų68.237%0.37438%0.384SS..Hα-helixtrans-75.5-22.1176.6-71.8177.966.1-1654.6113.9A11 L12 S13 C17 V18 S145 E149A11-R15 WeakPolarHBondContact O-CG 3.18Å; A11-R15 PolarHBondContact O-N 3.39Å; A11-R15 VanDerWaalsContact O-N 3.16Å; L12-R15 CarbonylContact O-C 3.55Å; L12-R15 PolarHBondContact O-N 3.16Å; L12-R15 VanDerWaalsContact O-N 3.1Å; S13-R15 VanDerWaalsContact C-N 3.32Å; S13-R15 PolarHBondContact O-N 3.33Å; R15-C17 VanDerWaalsContact C-N 3.26Å; R15-V18 WeakPolarHBondContact O-CG1 3.3Å; R15-S145 PolarHBondContact NH2-OG 3.2Å; R15-E149 IonicContact CZ-OE2 3.55Å; R15-E149 IonicContact NH1-OE2 2.78Å; R15-E149 PolarHBondContact NH1-OE2 2.58Å
16L90.8Very high91Very high3 Ų361.4 Ų61.42%0.01635%0.353CS..THydrogen-bonded Turntrans-88.67.3173.3-67.3171000112.5L12 S13 G27 I29 L135 V146 L150 F201L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.48Å; S13-L16 CarbonylContact O-C 3.51Å; S13-L16 PolarHBondContact O-N 2.87Å; L16-G27 PolarHBondContact O-N 2.65Å; L16-I29 HydrophobicContact CD1-CD1 3.74Å; L16-I29 HydrophobicContact CD1-CG1 4.41Å; L16-L135 HydrophobicContact CD2-CD1 4.25Å; L16-L135 HydrophobicContact CD2-CD2 4.17Å; L16-V146 HydrophobicContact CD2-CG1 3.98Å; L16-V146 HydrophobicContact CG-CG1 4.46Å; L16-L150 HydrophobicContact CD1-CD1 4.37Å; L16-F201 HydrophobicContact CD1-CE2 4.04Å; L16-F201 HydrophobicContact CD1-CZ 4.03Å
17C91.2Very high91Very high66 Ų6660.1 Ų60.145%0.44635%0.347SS..EExtended strand (participates in β ladder)trans-105.286.3169.5-69.10000109.4S13 S14 R15 I25S13-C17 PolarHBondContact O-N 3.47Å; S13-C17 PolarHBondContact O-SG 3.39Å; S14-C17 PolarHBondContact O-N 2.82Å; R15-C17 VanDerWaalsContact C-N 3.26Å; C17-I25 WeakPolarHBondContact CA-O 3.01Å
18V88.7Confident91Very high45 Ų4559.7 Ų59.727%0.27333%0.331SS..EExtended strand (participates in β ladder)trans-127145.8-176.4-63.50000111.3R15 T20 I25 V139R15-V18 WeakPolarHBondContact O-CG1 3.3Å; V18-T20 HydrophobicContact CG2-CG2 4.29Å; V18-I25 HydrophobicContact CG2-CB 4Å; V18-I25 HydrophobicContact CG2-CD1 3.7Å; V18-I25 HydrophobicContact CG2-CG1 4.15Å; V18-I25 PolarHBondContact N-O 2.91Å; V18-I25 PolarHBondContact O-N 3.29Å; V18-V139 HydrophobicContact CG2-CG2 4.22Å
19E87.3Confident91Very high140 Ų14056.8 Ų56.865%0.65431%0.31SS*.EExtended strand (participates in β ladder)trans-99.5114.7168.7-166.1172.413400107.9V208E19-V208 HydrophobicContact CG-CG2 4.36Å
20T81.3Confident91Very high39 Ų3958 Ų5824%0.23932%0.316CS..EExtended strand (participates in β ladder)trans-99.9145.2167.362.40000107V18 E22 S23 S138V18-T20 HydrophobicContact CG2-CG2 4.29Å; T20-E22 PolarHBondContact O-N 3.23Å; T20-S23 CarbonylContact C-O 3.51Å; T20-S23 WeakPolarHBondContact CA-O 3.36Å; T20-S23 PolarHBondContact N-O 3.34Å; T20-S23 CarbonylContact O-C 3.42Å; T20-S23 PolarHBondContact O-N 3.17Å; T20-S23 PolarHBondContact OG1-O 3.3Å; T20-S23 PolarHBondContact OG1-OG 3.29Å; T20-S138 WeakPolarHBondContact CG2-O 3.35Å; T20-S138 PolarHBondContact OG1-O 3.33Å
21G80.8Confident91.2Very high81 Ų8152.4 Ų52.484%0.83529%0.29SS*.THydrogen-bonded Turntrans-46.8-29.8-158.100000117.4
22E81.8Confident91.3Very high154 Ų15449.9 Ų49.972%0.7227%0.268SS*.THydrogen-bonded Turntrans-109-9.9178.7-59.5-179.7175.100114.3T20 S207 V208T20-E22 PolarHBondContact O-N 3.23Å; E22-S207 WeakPolarHBondContact O-CA 3.27Å; E22-S207 PolarHBondContact O-OG 3.01Å; E22-V208 PolarHBondContact O-N 3.07Å
23S87.9Confident91.2Very high12 Ų1250.1 Ų50.18%0.08427%0.271CS..EExtended strand (participates in β ladder)trans-146.2142.2-176.569.40000114.1T20 S205 V206T20-S23 CarbonylContact C-O 3.51Å; T20-S23 WeakPolarHBondContact CA-O 3.36Å; T20-S23 PolarHBondContact N-O 3.34Å; T20-S23 CarbonylContact O-C 3.42Å; T20-S23 PolarHBondContact O-N 3.17Å; T20-S23 PolarHBondContact OG1-O 3.3Å; T20-S23 PolarHBondContact OG1-OG 3.29Å; S23-S205 WeakPolarHBondContact CB-OG 3.28Å; S23-S205 PolarHBondContact OG-OG 3.09Å; S23-V206 CarbonylContact C-O 3.51Å; S23-V206 WeakPolarHBondContact CA-O 3.45Å
24R90.7Very high91.1Very high130 Ų13049.4 Ų49.449%0.49127%0.266SS..EExtended strand (participates in β ladder)trans-102.4126171.8-176177.3177.3-171-1.1110L26 S205 V206 V208R24-L26 HydrophobicContact CG-CD2 4.33Å; R24-L26 HydrophobicContact CG-CG 4.43Å; R24-S205 WeakPolarHBondContact O-CA 3.36Å; R24-V206 HydrophobicContact CB-CG2 3.91Å; R24-V206 PolarHBondContact N-O 3Å; R24-V206 WeakPolarHBondContact O-CG2 3.36Å; R24-V206 PolarHBondContact O-N 3.23Å; R24-V208 HydrophobicContact CB-CG2 4.47Å
25I91.8Very high90.8Very high0 Ų051.9 Ų51.90%027%0.265CS..EExtended strand (participates in β ladder)trans-95.7134.2176.4-52.1175.2000108.6C17 V18 L135 V139 W184 R204C17-I25 WeakPolarHBondContact CA-O 3.01Å; V18-I25 HydrophobicContact CG2-CB 4Å; V18-I25 HydrophobicContact CG2-CD1 3.7Å; V18-I25 HydrophobicContact CG2-CG1 4.15Å; V18-I25 PolarHBondContact N-O 2.91Å; V18-I25 PolarHBondContact O-N 3.29Å; I25-L135 HydrophobicContact CG2-CD2 4.37Å; I25-V139 HydrophobicContact CD1-CB 4.38Å; I25-V139 HydrophobicContact CD1-CG2 3.3Å; I25-W184 HydrophobicContact CG2-CH2 4.49Å; I25-R204 WeakPolarHBondContact CA-O 3.44Å
26L92.1Very high90.3Very high43 Ų4349.6 Ų49.623%0.22526%0.26CS..EExtended strand (participates in β ladder)trans-129.488.1179.6-62.9170.4000108R24 C203 R204R24-L26 HydrophobicContact CG-CD2 4.33Å; R24-L26 HydrophobicContact CG-CG 4.43Å; L26-C203 WeakPolarHBondContact O-CA 3.09Å; L26-R204 HydrophobicContact CB-CG 3.97Å; L26-R204 HydrophobicContact CD1-CG 4.3Å; L26-R204 PolarHBondContact N-O 2.6Å; L26-R204 PolarHBondContact O-N 2.77Å; L26-R204 VanDerWaalsContact O-N 3.1Å
27G93.4Very high89.7Confident1 Ų152.4 Ų52.41%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-101.6137.1175.800000112.6L16 T202 C203L16-G27 PolarHBondContact O-N 2.65Å; G27-T202 WeakPolarHBondContact CA-O 3.46Å; G27-C203 VanDerWaalsContact CA-SG 3.55Å
28R95Very high89.2Confident83 Ų8352.7 Ų52.731%0.31330%0.297SS..EExtended strand (participates in β ladder)trans-140.1132.8176.6-173169.569.4-140.3-1.9111.1E30 S103 F104 F201 T202R28-E30 WeakPolarHBondContact CD-OE1 3.32Å; R28-E30 HydrophobicContact CG-CG 3.99Å; R28-E30 IonicContact CZ-OE1 3.61Å; R28-E30 IonicContact NE-OE1 2.63Å; R28-E30 PolarHBondContact NE-OE1 2.95Å; R28-E30 IonicContact NE-OE2 3.7Å; R28-S103 PolarHBondContact NH2-O 2.95Å; R28-S103 PolarHBondContact NH2-OG 3.31Å; R28-F104 VanDerWaalsContact NH2-CE1 3.28Å; R28-F201 WeakPolarHBondContact O-CD2 3.49Å; R28-T202 HydrophobicContact CB-CG2 3.94Å; R28-T202 PolarHBondContact N-O 3.46Å; R28-T202 PolarHBondContact O-N 3.3Å
29I97.1Very high88.8Confident4 Ų456.7 Ų56.72%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-124.1127.1179.9-51.4150.8000108.2F9 L12 S13 L16 L150 I154 V199 F200 F201F9-I29 HydrophobicContact CB-CB 4.49Å; F9-I29 HydrophobicContact CD1-CG2 4.01Å; F9-I29 HydrophobicContact CD2-CB 4.44Å; F9-I29 HydrophobicContact CD2-CG2 3.73Å; F9-I29 HydrophobicContact CE1-CG2 4.02Å; F9-I29 HydrophobicContact CE2-CG2 3.74Å; F9-I29 HydrophobicContact CG-CB 4.31Å; F9-I29 HydrophobicContact CG-CG2 3.86Å; F9-I29 HydrophobicContact CZ-CG2 3.89Å; L12-I29 HydrophobicContact CB-CD1 3.9Å; L12-I29 HydrophobicContact CD1-CD1 4.5Å; S13-I29 PolarHBondContact OG-N 3.08Å; L16-I29 HydrophobicContact CD1-CD1 3.74Å; L16-I29 HydrophobicContact CD1-CG1 4.41Å; I29-L150 HydrophobicContact CD1-CD1 3.17Å; I29-L150 HydrophobicContact CG1-CD1 4.18Å; I29-I154 HydrophobicContact CG2-CG1 4.38Å; I29-V199 HydrophobicContact CG2-CG1 3.94Å; I29-F200 WeakPolarHBondContact CA-O 3.49Å; I29-F201 HydrophobicContact CD1-CE2 4.31Å; I29-F201 HydrophobicContact CG1-CD2 3.49Å; I29-F201 VanDerWaalsContact CG1-CD2 3.49Å; I29-F201 HydrophobicContact CG1-CE2 3.68Å; I29-F201 HydrophobicContact CG1-CG 4.04Å; I29-F201 HydrophobicContact CG1-CZ 4.35Å
30E97.4Very high88.5Confident30 Ų3050.8 Ų50.814%0.1429%0.29CS..EExtended strand (participates in β ladder)trans-138.5145.9-173.3-70.1169.6160.300110.8L3 R28 Y32 S103 V199 F200L3-E30 HydrophobicContact CD1-CB 3.92Å; L3-E30 HydrophobicContact CD1-CG 4.15Å; R28-E30 WeakPolarHBondContact CD-OE1 3.32Å; R28-E30 HydrophobicContact CG-CG 3.99Å; R28-E30 IonicContact CZ-OE1 3.61Å; R28-E30 IonicContact NE-OE1 2.63Å; R28-E30 PolarHBondContact NE-OE1 2.95Å; R28-E30 IonicContact NE-OE2 3.7Å; E30-Y32 HydrophobicContact CB-CD2 4.13Å; E30-Y32 HydrophobicContact CB-CE2 3.38Å; E30-Y32 HydrophobicContact CG-CE2 4.34Å; E30-Y32 WeakPolarHBondContact OE2-CE2 3.45Å; E30-Y32 PolarHBondContact OE2-OH 3.45Å; E30-S103 VanDerWaalsContact OE2-CB 3.26Å; E30-S103 WeakPolarHBondContact OE2-CB 3.37Å; E30-S103 PolarHBondContact OE2-OG 2.99Å; E30-V199 CarbonylContact O-C 3.55Å; E30-V199 VanDerWaalsContact O-CA 3.29Å; E30-V199 WeakPolarHBondContact O-CA 3.28Å; E30-F200 PolarHBondContact N-O 3.32Å; E30-F200 PolarHBondContact O-N 3.14Å
31S97.6Very high88.6Confident0 Ų055.4 Ų55.40%031%0.307CS..EExtended strand (participates in β ladder)trans-110.2130.6175.7-175.40000110L4 E157 R197L4-S31 WeakPolarHBondContact CB-O 3.34Å; L4-S31 PolarHBondContact N-O 2.96Å; S31-E157 PolarHBondContact OG-OE1 2.75Å; S31-R197 WeakPolarHBondContact OG-CD 3.41Å
32Y96.9Very high88.7Confident4 Ų457.4 Ų57.42%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-126.2138.7-176.8-69.2-86.6000111.7M1 K2 L3 E30 T99 E102 S103 R197 I198 F200M1-Y32 HydrophobicContact CB-CD1 4.04Å; K2-Y32 CarbonylContact O-C 3.55Å; K2-Y32 WeakPolarHBondContact O-CA 3.48Å; L3-Y32 HydrophobicContact CB-CD1 4.28Å; L3-Y32 HydrophobicContact CB-CE1 3.98Å; L3-Y32 HydrophobicContact CD1-CD1 4.35Å; L3-Y32 HydrophobicContact CD1-CE1 3.84Å; L3-Y32 HydrophobicContact CD1-CE2 4.25Å; E30-Y32 HydrophobicContact CB-CD2 4.13Å; E30-Y32 HydrophobicContact CB-CE2 3.38Å; E30-Y32 HydrophobicContact CG-CE2 4.34Å; E30-Y32 WeakPolarHBondContact OE2-CE2 3.45Å; E30-Y32 PolarHBondContact OE2-OH 3.45Å; Y32-T99 HydrophobicContact CD2-CG2 3.58Å; Y32-T99 HydrophobicContact CE2-CG2 3.83Å; Y32-T99 HydrophobicContact CG-CG2 4.09Å; Y32-E102 HydrophobicContact CE1-CB 3.8Å; Y32-S103 VanDerWaalsContact OH-CA 3.3Å; Y32-S103 WeakPolarHBondContact OH-CA 3.29Å; Y32-S103 WeakPolarHBondContact OH-CB 3.34Å; Y32-S103 PolarHBondContact OH-N 2.82Å; Y32-R197 CarbonylContact O-C 3.3Å; Y32-R197 VanDerWaalsContact O-CA 3.24Å; Y32-R197 WeakPolarHBondContact O-CA 3.32Å; Y32-R197 WeakPolarHBondContact O-CG 3.4Å; Y32-I198 PolarHBondContact N-O 3.19Å; Y32-I198 PolarHBondContact O-N 2.95Å; Y32-F200 HydrophobicContact CD2-CB 4.22Å; Y32-F200 HydrophobicContact CE2-CB 4.07Å
33S94.7Very high88.8Confident15 Ų1553 Ų5311%0.10527%0.274CS..EExtended strand (participates in β ladder)trans-87.6128.9169.3-169.20000111.8M1 K2 K35M1-S33 VanDerWaalsContact SD-O 3.41Å; K2-S33 PolarHBondContact N-O 3.44Å; K2-S33 PolarHBondContact O-N 3.16Å; S33-K35 PolarHBondContact O-N 2.76Å; S33-K35 WeakPolarHBondContact OG-CG 3.24Å; S33-K35 PolarHBondContact OG-N 2.9Å
34C91.6Very high88.6Confident1 Ų154.1 Ų54.11%0.00728%0.278CS..  trans-83.69.8173.1-49.30000113.9M1 M36 Y95 K196M1-C34 VanDerWaalsContact SD-CA 3.56Å; M1-C34 HydrophobicContact SD-CB 4.2Å; C34-M36 PolarHBondContact O-N 3.03Å; C34-M36 VanDerWaalsContact O-N 3.16Å; C34-Y95 HydrophobicContact CB-CD1 4.44Å; C34-Y95 HydrophobicContact CB-CD2 4.07Å; C34-Y95 HydrophobicContact CB-CE1 4.29Å; C34-Y95 HydrophobicContact CB-CE2 3.93Å; C34-Y95 HydrophobicContact CB-CG 4.31Å; C34-Y95 PolarHBondContact O-OH 3.3Å; C34-K196 HydrophobicContact CB-CB 4.26Å; C34-K196 WeakPolarHBondContact CB-O 3.45Å; C34-K196 PolarHBondContact N-O 2.81Å
35K87.3Confident88.2Confident139 Ų13955 Ų5560%0.60429%0.285SS*.  trans-70.2111.2174.4-70.5176.2-176.3174.60108.1S33 A37S33-K35 PolarHBondContact O-N 2.76Å; S33-K35 WeakPolarHBondContact OG-CG 3.24Å; S33-K35 PolarHBondContact OG-N 2.9Å; K35-A37 PolarHBondContact O-N 3.01Å
36M81.7Confident87.8Confident52 Ų5260.3 Ų60.326%0.25631%0.31SS..  trans-57.9109.8174.1-67.6169.7167.500109.6C34 D40 K41 F44 Y95C34-M36 PolarHBondContact O-N 3.03Å; C34-M36 VanDerWaalsContact O-N 3.16Å; M36-D40 HydrophobicContact CB-CB 4.07Å; M36-D40 HydrophobicContact CG-CB 4.35Å; M36-K41 HydrophobicContact CB-CG 4.05Å; M36-F44 HydrophobicContact CE-CB 4.05Å; M36-F44 HydrophobicContact CE-CD1 3.74Å; M36-F44 HydrophobicContact CE-CD2 4.13Å; M36-F44 HydrophobicContact CE-CE1 4.24Å; M36-F44 HydrophobicContact CE-CG 3.67Å; M36-Y95 HydrophobicContact CE-CE1 4.01Å
37A77.9Confident87.3Confident62 Ų6260 Ų6051%0.51231%0.307SS..  trans-128.8156.1178.100000110.1K35 D39 D40K35-A37 PolarHBondContact O-N 3.01Å; A37-D39 PolarHBondContact O-N 3.1Å; A37-D40 PolarHBondContact N-OD2 3.46Å; A37-D40 VanDerWaalsContact O-CB 3.31Å; A37-D40 WeakPolarHBondContact O-CB 3.45Å; A37-D40 PolarHBondContact O-N 2.72Å; A37-D40 VanDerWaalsContact O-N 3.16Å; A37-D40 VanDerWaalsContact O-OD2 3.12Å
38G79.7Confident86.6Confident72 Ų7261 Ų6174%0.74231%0.314SS*.THydrogen-bonded Turntrans54.1-126.3-177.500000112.5D40G38-D40 VanDerWaalsContact C-N 3.32Å; G38-D40 PolarHBondContact O-N 2.72Å
39D80.3Confident85.4Confident129 Ų12964.6 Ų64.669%0.6933%0.334SS*.THydrogen-bonded Turntrans-81-5-175.4-61.3-35.2000114.2A37 K41 H42 M43A37-D39 PolarHBondContact O-N 3.1Å; D39-K41 PolarHBondContact O-N 3.08Å; D39-H42 WeakPolarHBondContact O-CA 2.91Å; D39-H42 WeakPolarHBondContact O-CB 3.47Å; D39-H42 PolarHBondContact O-N 3.07Å; D39-M43 PolarHBondContact O-N 2.97Å
40D81.9Confident83.8Confident15 Ų1572.3 Ų72.38%0.0837%0.37CS..Hα-helixtrans-52-36.7178.7-73.5-31.2000112.3M36 A37 G38 M43 F44M36-D40 HydrophobicContact CB-CB 4.07Å; M36-D40 HydrophobicContact CG-CB 4.35Å; A37-D40 PolarHBondContact N-OD2 3.46Å; A37-D40 VanDerWaalsContact O-CB 3.31Å; A37-D40 WeakPolarHBondContact O-CB 3.45Å; A37-D40 PolarHBondContact O-N 2.72Å; A37-D40 VanDerWaalsContact O-N 3.16Å; A37-D40 VanDerWaalsContact O-OD2 3.12Å; G38-D40 VanDerWaalsContact C-N 3.32Å; G38-D40 PolarHBondContact O-N 2.72Å; D40-M43 WeakPolarHBondContact OD1-CE 3.43Å; D40-F44 WeakPolarHBondContact O-CB 3.47Å; D40-F44 PolarHBondContact O-N 3.29Å
41K83.2Confident81.9Confident136 Ų13672 Ų7259%0.59138%0.375SS*.Hα-helixtrans-67.9-36.4178.4-71.6-176.2-178.5174.70112.4M36 D39 K45M36-K41 HydrophobicContact CB-CG 4.05Å; D39-K41 PolarHBondContact O-N 3.08Å; K41-K45 WeakPolarHBondContact O-CG 3.41Å; K41-K45 PolarHBondContact O-N 2.98Å
42H83.3Confident79.8Confident124 Ų12478.3 Ų78.357%0.57441%0.405SS*.Hα-helixtrans-71.5-47.2177.1-177.7-86.4000109.9D39 F44 K45 Q46D39-H42 WeakPolarHBondContact O-CA 2.91Å; D39-H42 WeakPolarHBondContact O-CB 3.47Å; D39-H42 PolarHBondContact O-N 3.07Å; H42-F44 VanDerWaalsContact C-N 3.32Å; H42-F44 PolarHBondContact O-N 3.31Å; H42-K45 WeakPolarHBondContact O-CB 3.49Å; H42-K45 PolarHBondContact O-N 2.92Å; H42-K45 VanDerWaalsContact O-N 3.1Å; H42-Q46 PolarHBondContact O-N 3.31Å
43M83.4Confident77.7Confident61 Ų6180.3 Ų80.330%0.342%0.418SS..Hα-helixtrans-57.6-43.5175.9-64.7-166.2-59.600111.9D39 D40 K45 Q46 F47 F94D39-M43 PolarHBondContact O-N 2.97Å; D40-M43 WeakPolarHBondContact OD1-CE 3.43Å; M43-K45 VanDerWaalsContact C-N 3.34Å; M43-K45 PolarHBondContact O-N 3.49Å; M43-Q46 PolarHBondContact O-N 2.78Å; M43-F47 WeakPolarHBondContact O-CB 3.29Å; M43-F47 PolarHBondContact O-N 2.94Å; M43-F94 HydrophobicContact CB-CE2 3.96Å; M43-F94 HydrophobicContact CB-CZ 3.94Å
44F83.7Confident75.9Confident36 Ų3687.4 Ų87.416%0.15845%0.449CS..Hα-helixtrans-63.7-38.2176.8-177.9-113.3000112.6M36 D40 H42 F47 C48 P53 K91 F94M36-F44 HydrophobicContact CE-CB 4.05Å; M36-F44 HydrophobicContact CE-CD1 3.74Å; M36-F44 HydrophobicContact CE-CD2 4.13Å; M36-F44 HydrophobicContact CE-CE1 4.24Å; M36-F44 HydrophobicContact CE-CG 3.67Å; D40-F44 WeakPolarHBondContact O-CB 3.47Å; D40-F44 PolarHBondContact O-N 3.29Å; H42-F44 VanDerWaalsContact C-N 3.32Å; H42-F44 PolarHBondContact O-N 3.31Å; F44-F47 PolarHBondContact O-N 3.06Å; F44-C48 VanDerWaalsContact CZ-SG 3.56Å; F44-C48 PolarHBondContact O-N 2.78Å; F44-C48 VanDerWaalsContact O-N 3.08Å; F44-C48 PolarHBondContact O-SG 3.11Å; F44-P53 HydrophobicContact CZ-CB 4.5Å; F44-K91 HydrophobicContact CE2-CB 4.21Å; F44-K91 HydrophobicContact CE2-CG 4.43Å; F44-K91 HydrophobicContact CZ-CB 4.15Å; F44-K91 HydrophobicContact CZ-CG 4.38Å; F44-F94 HydrophobicContact CB-CD1 4.25Å; F44-F94 HydrophobicContact CB-CD2 4.48Å; F44-F94 HydrophobicContact CB-CE1 3.9Å; F44-F94 HydrophobicContact CB-CE2 4.14Å; F44-F94 HydrophobicContact CB-CZ 3.83Å; F44-F94 HydrophobicContact CD2-CB 3.85Å; F44-F94 AromaticContact CD2-CD1 3.66Å; F44-F94 HydrophobicContact CD2-CD1 3.66Å; F44-F94 HydrophobicContact CD2-CD2 4.02Å; F44-F94 HydrophobicContact CD2-CE1 4.2Å; F44-F94 HydrophobicContact CD2-CE2 4.5Å; F44-F94 AromaticContact CD2-CG 3.56Å; F44-F94 HydrophobicContact CD2-CG 3.56Å; F44-F94 HydrophobicContact CE2-CB 4.1Å; F44-F94 HydrophobicContact CE2-CG 4.3Å; F44-F94 HydrophobicContact CG-CD1 4.34Å; F44-F94 HydrophobicContact CG-CE1 4.46Å
45K83.1Confident74.6Confident147 Ų14790.8 Ų90.864%0.63947%0.469SS*.Hα-helixtrans-64.3-42.3175.3-78.2179.6179-174.10111.6K41 H42 M43 C48 Q49K41-K45 WeakPolarHBondContact O-CG 3.41Å; K41-K45 PolarHBondContact O-N 2.98Å; H42-K45 WeakPolarHBondContact O-CB 3.49Å; H42-K45 PolarHBondContact O-N 2.92Å; H42-K45 VanDerWaalsContact O-N 3.1Å; M43-K45 VanDerWaalsContact C-N 3.34Å; M43-K45 PolarHBondContact O-N 3.49Å; K45-C48 PolarHBondContact O-N 2.93Å; K45-Q49 PolarHBondContact O-N 3.1Å
46Q82.6Confident73.8Confident112 Ų11288.6 Ų88.652%0.52346%0.464SS..Hα-helixtrans-65.2-43.6177.2-176.2177-11.800111.3H42 M43 C48 Q49H42-Q46 PolarHBondContact O-N 3.31Å; M43-Q46 PolarHBondContact O-N 2.78Å; Q46-C48 VanDerWaalsContact C-N 3.25Å; Q46-C48 PolarHBondContact O-N 3.45Å; Q46-Q49 WeakPolarHBondContact O-CB 3.18Å; Q46-Q49 PolarHBondContact O-N 2.98Å
47F81.3Confident73.4Confident36 Ų3688.1 Ų88.116%0.15846%0.461CS..Hα-helixtrans-56.5-39.3174.7-174.7-97.7000112.3M43 F44 Q49 R90 L93 F94 I97M43-F47 WeakPolarHBondContact O-CB 3.29Å; M43-F47 PolarHBondContact O-N 2.94Å; F44-F47 PolarHBondContact O-N 3.06Å; F47-Q49 VanDerWaalsContact C-N 3.29Å; F47-Q49 PolarHBondContact O-N 2.86Å; F47-R90 HydrophobicContact CE1-CB 4.33Å; F47-R90 HydrophobicContact CE1-CG 4.45Å; F47-L93 HydrophobicContact CE1-CD2 4.49Å; F47-L93 HydrophobicContact CZ-CD2 3.92Å; F47-L93 HydrophobicContact CZ-CG 4.01Å; F47-F94 HydrophobicContact CB-CD2 3.91Å; F47-F94 HydrophobicContact CB-CE2 4.34Å; F47-F94 HydrophobicContact CD1-CB 4.03Å; F47-F94 HydrophobicContact CD1-CD2 4.18Å; F47-F94 HydrophobicContact CD2-CD2 4.31Å; F47-F94 HydrophobicContact CE1-CB 4.11Å; F47-F94 AromaticContact CG-CD2 3.87Å; F47-F94 HydrophobicContact CG-CD2 3.87Å; F47-I97 HydrophobicContact CE2-CD1 3.64Å; F47-I97 HydrophobicContact CZ-CD1 3.86Å
48C78.7Confident73.4Confident23 Ų2388 Ų8816%0.15546%0.46CS..G310 helixtrans-78.90.7174.9-630000114.6F44 K45 Q46 E50 G51F44-C48 VanDerWaalsContact CZ-SG 3.56Å; F44-C48 PolarHBondContact O-N 2.78Å; F44-C48 VanDerWaalsContact O-N 3.08Å; F44-C48 PolarHBondContact O-SG 3.11Å; K45-C48 PolarHBondContact O-N 2.93Å; Q46-C48 VanDerWaalsContact C-N 3.25Å; Q46-C48 PolarHBondContact O-N 3.45Å; C48-E50 VanDerWaalsContact C-N 3.3Å; C48-G51 CarbonylContact C-O 3.53Å; C48-G51 WeakPolarHBondContact CA-O 3.4Å; C48-G51 CarbonylContact O-C 3.33Å; C48-G51 VanDerWaalsContact O-C 3.3Å; C48-G51 PolarHBondContact O-N 2.94Å
49Q69.9Low73.5Confident158 Ų15884.8 Ų84.874%0.73843%0.425SS*.G310 helixtrans-77.1-23.3171.3-71.8175.617.800111.6K45 Q46 F47 G51K45-Q49 PolarHBondContact O-N 3.1Å; Q46-Q49 WeakPolarHBondContact O-CB 3.18Å; Q46-Q49 PolarHBondContact O-N 2.98Å; F47-Q49 VanDerWaalsContact C-N 3.29Å; F47-Q49 PolarHBondContact O-N 2.86Å; Q49-G51 PolarHBondContact O-N 2.86Å
50E62.8Low73.3Confident167 Ų16780.2 Ų80.278%0.7840%0.404SS*.G310 helixtrans-78.14.8169.9-61.6-179.9-17500112C48 R90C48-E50 VanDerWaalsContact C-N 3.3Å; E50-R90 PolarHBondContact O-NH2 3.01Å
51G57.6Low73Confident24 Ų2482.9 Ų82.925%0.24742%0.422CS..SBendtrans154.3175.315800000115C48 Q49 R90C48-G51 CarbonylContact C-O 3.53Å; C48-G51 WeakPolarHBondContact CA-O 3.4Å; C48-G51 CarbonylContact O-C 3.33Å; C48-G51 VanDerWaalsContact O-C 3.3Å; C48-G51 PolarHBondContact O-N 2.94Å; Q49-G51 PolarHBondContact O-N 2.86Å; G51-R90 PolarHBondContact O-NH1 3.13Å
52E54.4Low72.7Confident132 Ų13277.5 Ų77.562%0.61740%0.401SS*.  trans-55.2134.5-177.1-78.2-73.3143.400114.9H54 V55 R90E52-H54 VanDerWaalsContact C-N 3.25Å; E52-H54 PolarHBondContact O-N 3.49Å; E52-V55 HydrophobicContact CB-CG2 3.6Å; E52-V55 WeakPolarHBondContact O-CB 3.22Å; E52-V55 PolarHBondContact O-N 3.03Å; E52-R90 VanDerWaalsContact N-NH1 3.16Å; E52-R90 PolarHBondContact O-NH1 2.85Å
53P52.8Low71.8Confident45 Ų4577 Ų7729%0.29240%0.399SS..THydrogen-bonded Turntrans-68.6-17-174.224.8-34.1000115F44F44-P53 HydrophobicContact CZ-CB 4.5Å
54H55.9Low70.4Confident164 Ų16477.5 Ų77.576%0.75941%0.408SS*.THydrogen-bonded Turntrans-96.8-4178.7-65.3-66.8000113.3E52 L56E52-H54 VanDerWaalsContact C-N 3.25Å; E52-H54 PolarHBondContact O-N 3.49Å; H54-L56 PolarHBondContact O-N 2.97Å
55V64.9Low68.6Low72 Ų7279.4 Ų79.444%0.43642%0.423SS..PPolyproline II helixtrans-69.5125.2174.6176.10000108.1E52E52-V55 HydrophobicContact CB-CG2 3.6Å; E52-V55 WeakPolarHBondContact O-CB 3.22Å; E52-V55 PolarHBondContact O-N 3.03Å
56L70.2Confident66.6Low93 Ų9376.4 Ų76.449%0.48742%0.421SS..EExtended strand (participates in β ladder)trans-80125.9173.9-71.2178.9000108.4H54 K87 V88 C89H54-L56 PolarHBondContact O-N 2.97Å; L56-K87 HydrophobicContact CB-CB 3.88Å; L56-K87 HydrophobicContact CB-CD 3.83Å; L56-K87 HydrophobicContact CB-CG 4.01Å; L56-K87 HydrophobicContact CD1-CB 3.96Å; L56-K87 HydrophobicContact CD1-CD 3.71Å; L56-K87 HydrophobicContact CD1-CG 4.35Å; L56-K87 HydrophobicContact CD2-CB 4.3Å; L56-K87 HydrophobicContact CG-CB 4.26Å; L56-K87 HydrophobicContact CG-CD 4.41Å; L56-V88 WeakPolarHBondContact CA-O 3.44Å; L56-C89 HydrophobicContact CD2-CB 4.11Å
57E74.4Confident64.4Low43 Ų4375.6 Ų75.620%0.20143%0.433CS..EExtended strand (participates in β ladder)trans-98.3138.5175.9-63-175-135.100109.6L59 K87 V88 R90 A115E57-L59 PolarHBondContact O-N 3.26Å; E57-K87 WeakPolarHBondContact O-CA 3.21Å; E57-V88 HydrophobicContact CB-CG1 4.34Å; E57-V88 PolarHBondContact N-O 3.01Å; E57-V88 PolarHBondContact O-N 2.89Å; E57-R90 VanDerWaalsContact OE1-CG 3.29Å; E57-R90 WeakPolarHBondContact OE1-CG 3.41Å; E57-R90 IonicContact OE1-CZ 3.81Å; E57-R90 IonicContact OE1-NE 3.51Å; E57-R90 PolarHBondContact OE1-NE 3.34Å; E57-R90 IonicContact OE1-NH2 3.12Å; E57-A115 HydrophobicContact CB-CB 3.44Å; E57-A115 VanDerWaalsContact CB-CB 3.44Å; E57-A115 HydrophobicContact CG-CB 4.39Å; E57-A115 WeakPolarHBondContact OE2-CB 3.35Å
58A78.3Confident62.2Low58 Ų5879.6 Ų79.648%0.47946%0.461SS..EExtended strand (participates in β ladder)trans-68.812417700000109.8S85A58-S85 VanDerWaalsContact CA-OG 3.23Å; A58-S85 WeakPolarHBondContact CA-OG 3.46Å; A58-S85 WeakPolarHBondContact CB-OG 3.13Å
59L80Confident60.1Low5 Ų584.1 Ų84.13%0.02649%0.492CS..PPolyproline II helixtrans-84.1158.8169.8-64179.6000110.7E57 S85 D86 V88 A115 F118 R120 Y166E57-L59 PolarHBondContact O-N 3.26Å; L59-S85 PolarHBondContact N-OG 3.1Å; L59-S85 PolarHBondContact O-OG 2.95Å; L59-D86 WeakPolarHBondContact CB-O 3.3Å; L59-D86 HydrophobicContact CD1-CB 4.41Å; L59-D86 VanDerWaalsContact CG-O 3.31Å; L59-D86 WeakPolarHBondContact CG-O 3.3Å; L59-D86 PolarHBondContact N-O 2.85Å; L59-V88 HydrophobicContact CD1-CB 4.01Å; L59-V88 HydrophobicContact CD2-CB 3.78Å; L59-V88 HydrophobicContact CD2-CG1 3.46Å; L59-V88 VanDerWaalsContact CD2-CG1 3.46Å; L59-V88 HydrophobicContact CG-CB 3.92Å; L59-V88 HydrophobicContact CG-CG1 4Å; L59-A115 WeakPolarHBondContact CD2-O 3.48Å; L59-F118 WeakPolarHBondContact CB-O 3.44Å; L59-F118 HydrophobicContact CD2-CB 3.76Å; L59-R120 HydrophobicContact CD1-CB 3.59Å; L59-Y166 HydrophobicContact CD1-CD1 4.12Å; L59-Y166 HydrophobicContact CD1-CE1 4.06Å
60S76.3Confident59Low33 Ų3382.6 Ų82.623%0.23150%0.496CS..BIsolated β-bridgetrans-69.5150.9167.6-87.40000111.7H116 F118 S119S60-H116 WeakPolarHBondContact CB-O 3.45Å; S60-H116 PolarHBondContact OG-O 3.19Å; S60-F118 PolarHBondContact N-O 2.84Å; S60-S119 WeakPolarHBondContact O-CA 3.5Å; S60-S119 WeakPolarHBondContact O-CB 3.34Å; S60-S119 PolarHBondContact O-OG 2.85Å
61P76.8Confident58.1Low71 Ų7180.1 Ų80.146%0.46150%0.497SS..PPolyproline II helixtrans-57.9152.7168.7-20.832.4000111.4Q63 S119P61-Q63 PolarHBondContact O-N 3.36Å; P61-S119 PolarHBondContact O-OG 2.96Å
62P76.2Confident57.3Low23 Ų2387.9 Ų87.915%0.14953%0.527CS..PPolyproline II helixtrans-62124.7171.2-21.132.5000111S64 T65 R120P62-S64 PolarHBondContact O-N 2.78Å; P62-S64 VanDerWaalsContact O-N 3.07Å; P62-T65 HydrophobicContact CB-CG2 4.38Å; P62-T65 PolarHBondContact O-N 2.9Å; P62-T65 PolarHBondContact O-OG1 3.01Å; P62-R120 WeakPolarHBondContact CG-O 3.46Å
63Q65.5Low56.8Low114 Ų11490.2 Ų90.253%0.53354%0.543SS..G310 helixtrans-55.5-30.3-172.5-69.9-74.2-37.500114.1P61 T65 S66 N169P61-Q63 PolarHBondContact O-N 3.36Å; Q63-T65 PolarHBondContact O-N 3.45Å; Q63-S66 WeakPolarHBondContact O-CB 3.46Å; Q63-S66 PolarHBondContact O-N 2.92Å; Q63-S66 PolarHBondContact O-OG 3.21Å; Q63-N169 HydrophobicContact CG-CB 4.08Å
64S54.1Low56.3Low71 Ų7191.1 Ų91.150%0.49756%0.56SS.*G310 helixtrans-76.8-1.1-180-60.60000114.5P62P62-S64 PolarHBondContact O-N 2.78Å; P62-S64 VanDerWaalsContact O-N 3.07Å
65T45.1Very low55.5Low77 Ų7793.1 Ų93.147%0.47257%0.566SS.*G310 helixtrans-87.9-4.7172.160.80000113.3P62 Q63 A67 W126P62-T65 HydrophobicContact CB-CG2 4.38Å; P62-T65 PolarHBondContact O-N 2.9Å; P62-T65 PolarHBondContact O-OG1 3.01Å; Q63-T65 PolarHBondContact O-N 3.45Å; T65-A67 PolarHBondContact O-N 3.04Å; T65-W126 HydrophobicContact CG2-CZ2 4.34Å
66S40.4Very low54.5Low84 Ų8495.3 Ų95.359%0.58759%0.585SS**  trans-85.44.4-171.5-34.70000115.3Q63 T68Q63-S66 WeakPolarHBondContact O-CB 3.46Å; Q63-S66 PolarHBondContact O-N 2.92Å; Q63-S66 PolarHBondContact O-OG 3.21Å; S66-T68 VanDerWaalsContact C-N 3.34Å; S66-T68 PolarHBondContact O-N 3.17Å
67A36.9Very low53Low95 Ų9596.4 Ų96.479%0.78560%0.6SS**  trans-9124.2-173.800000115.1T65T65-A67 PolarHBondContact O-N 3.04Å
68T35.7Very low51.7Low120 Ų120104 Ų10474%0.73664%0.636SS**SBendtrans-131.898.6165.360.30000110.3S66S66-T68 VanDerWaalsContact C-N 3.34Å; S66-T68 PolarHBondContact O-N 3.17Å
69S33.1Very low50Low117 Ų117108.7 Ų108.782%0.81865%0.653SS**  trans-51.8127.5168.4-55.10000110.5S71S69-S71 PolarHBondContact O-N 2.57Å
70P47.2Very low48.3Very low126 Ų126111.9 Ų111.982%0.81869%0.687SS**  trans-86.1103.6179.431.5-29.7000109.7Q72P70-Q72 VanDerWaalsContact C-N 3.31Å; P70-Q72 PolarHBondContact O-N 2.65Å
71S43.8Very low46.8Very low115 Ų115117.2 Ų117.280%0.80471%0.708SS**  trans-83.876.8157.755.90000109S69S69-S71 PolarHBondContact O-N 2.57Å
72Q41.1Very low45.2Very low187 Ų187120.4 Ų120.487%0.87472%0.721SS**  trans-145.5105.1153.7-72.8-149.74.100111.9P70P70-Q72 VanDerWaalsContact C-N 3.31Å; P70-Q72 PolarHBondContact O-N 2.65Å
73L44Very low43.7Very low182 Ų182125 Ų12595%0.95375%0.752SS**  trans-65.4124.5163.4-175.677.1000109.7
74G42.1Very low43Very low63 Ų63126.5 Ų126.565%0.64976%0.762SS**  trans101.7106.9150.700000117
75K39.1Very low43.1Very low206 Ų206124.7 Ų124.790%0.89675%0.75SS**  -179.5125.2110.5-96.3167.7-177178.80109.9
76S45.2Very low44.4Very low119 Ų119124.3 Ų124.383%0.83275%0.745SS**  trans-55.9129.3168.114.90000110.9
77S38Very low46.2Very low115 Ų115125.7 Ų125.780%0.80474%0.74SS**  trans-148.7107157.8-68.90000107.1D79S77-D79 PolarHBondContact O-N 3.09Å
78E47.9Very low48.4Very low202 Ų202121.3 Ų121.394%0.94470%0.704SS**  trans-69.395.6166.7-66.6174.1104.200107.8
79D41.9Very low50.7Low158 Ų158117.8 Ų117.885%0.84568%0.684SS**  trans-157.7109.7147.6-142.51.3000108.1S77 E81S77-D79 PolarHBondContact O-N 3.09Å; D79-E81 PolarHBondContact O-N 3.03Å
80G44.9Very low53.2Low72 Ų72113.5 Ų113.574%0.74265%0.649SS**  trans-85.684.6-159.900000114.5
81E42.9Very low55.1Low145 Ų145112.1 Ų112.168%0.67863%0.631SS**  trans-136.2109154.4-73.4-75.1126.100107.6D79 P83 K87D79-E81 PolarHBondContact O-N 3.03Å; E81-P83 WeakPolarHBondContact O-CD 3.29Å; E81-P83 WeakPolarHBondContact O-CG 3.41Å; E81-P83 VanDerWaalsContact O-N 3.12Å; E81-K87 IonicContact OE2-NZ 3.8Å
82N43.5Very low57.4Low137 Ų137106.9 Ų106.973%0.73359%0.594SS**  trans-62.9107.5174.5-155.967.7000108.2L84N82-L84 PolarHBondContact O-N 2.94Å
83P44.6Very low59.8Low121 Ų12198 Ų9879%0.78655%0.552SS**THydrogen-bonded Turntrans-7210.6-158.2-20.432.8000117.1E81E81-P83 WeakPolarHBondContact O-CD 3.29Å; E81-P83 WeakPolarHBondContact O-CG 3.41Å; E81-P83 VanDerWaalsContact O-N 3.12Å
84L51.7Low62.1Low144 Ų14489.6 Ų89.675%0.75451%0.508SS*.THydrogen-bonded Turntrans-139.10.9-164.4-65.2171.8000115.1N82 D86N82-L84 PolarHBondContact O-N 2.94Å; L84-D86 PolarHBondContact O-N 3.35Å
85S56.9Low64.6Low34 Ų3487 Ų8724%0.23848%0.479CS..  trans-82.8102.5176.1-177.30000109.6A58 L59 K87A58-S85 VanDerWaalsContact CA-OG 3.23Å; A58-S85 WeakPolarHBondContact CA-OG 3.46Å; A58-S85 WeakPolarHBondContact CB-OG 3.13Å; L59-S85 PolarHBondContact N-OG 3.1Å; L59-S85 PolarHBondContact O-OG 2.95Å; S85-K87 PolarHBondContact O-N 3.06Å
86D71.1Confident67.2Low68 Ų6877.2 Ų77.236%0.36444%0.436SS..  trans-58.6135170.7-105.80.7000109.1L59 L84 R120L59-D86 WeakPolarHBondContact CB-O 3.3Å; L59-D86 HydrophobicContact CD1-CB 4.41Å; L59-D86 VanDerWaalsContact CG-O 3.31Å; L59-D86 WeakPolarHBondContact CG-O 3.3Å; L59-D86 PolarHBondContact N-O 2.85Å; L84-D86 PolarHBondContact O-N 3.35Å; D86-R120 HydrophobicContact CB-CB 3.93Å; D86-R120 IonicContact OD1-NH1 3.93Å; D86-R120 WeakPolarHBondContact OD2-CB 3.41Å; D86-R120 WeakPolarHBondContact OD2-CD 3.24Å; D86-R120 WeakPolarHBondContact OD2-CG 3.41Å; D86-R120 IonicContact OD2-CZ 3.86Å; D86-R120 IonicContact OD2-NE 3.93Å; D86-R120 IonicContact OD2-NH1 2.98Å; D86-R120 PolarHBondContact OD2-NH1 3.39Å
87K78.8Confident69.5Low114 Ų11471.8 Ų71.850%0.49640%0.398SS..EExtended strand (participates in β ladder)trans-95.7130.9-174.8-80.1177.6-171.8175.80110.4L56 E57 E81 S85L56-K87 HydrophobicContact CB-CB 3.88Å; L56-K87 HydrophobicContact CB-CD 3.83Å; L56-K87 HydrophobicContact CB-CG 4.01Å; L56-K87 HydrophobicContact CD1-CB 3.96Å; L56-K87 HydrophobicContact CD1-CD 3.71Å; L56-K87 HydrophobicContact CD1-CG 4.35Å; L56-K87 HydrophobicContact CD2-CB 4.3Å; L56-K87 HydrophobicContact CG-CB 4.26Å; L56-K87 HydrophobicContact CG-CD 4.41Å; E57-K87 WeakPolarHBondContact O-CA 3.21Å; E81-K87 IonicContact OE2-NZ 3.8Å; S85-K87 PolarHBondContact O-N 3.06Å
88V83.3Confident72.1Confident2 Ų266.8 Ų66.81%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-107.2139.9171.273.40000110.1L56 E57 L59 T92 L93 A115 Y166L56-V88 WeakPolarHBondContact CA-O 3.44Å; E57-V88 HydrophobicContact CB-CG1 4.34Å; E57-V88 PolarHBondContact N-O 3.01Å; E57-V88 PolarHBondContact O-N 2.89Å; L59-V88 HydrophobicContact CD1-CB 4.01Å; L59-V88 HydrophobicContact CD2-CB 3.78Å; L59-V88 HydrophobicContact CD2-CG1 3.46Å; L59-V88 VanDerWaalsContact CD2-CG1 3.46Å; L59-V88 HydrophobicContact CG-CB 3.92Å; L59-V88 HydrophobicContact CG-CG1 4Å; V88-T92 HydrophobicContact CG2-CG2 3.72Å; V88-L93 HydrophobicContact CG1-CB 4.18Å; V88-A115 HydrophobicContact CG1-CB 4.42Å; V88-Y166 HydrophobicContact CG2-CE1 4.27Å
89C84.7Confident74.3Confident47 Ų4757.1 Ų57.132%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-79.7145.9170.168.40000110L56 K91 T92 L93L56-C89 HydrophobicContact CD2-CB 4.11Å; C89-K91 PolarHBondContact O-N 2.74Å; C89-T92 PolarHBondContact O-N 2.97Å; C89-T92 PolarHBondContact SG-OG1 3.04Å; C89-T92 VanDerWaalsContact SG-OG1 3.33Å; C89-L93 PolarHBondContact O-N 3.48Å
90R83.8Confident76.7Confident26 Ų2649.6 Ų49.610%0.09828%0.277CS..Hα-helixtrans-50-34.5179.2-81.2-151.6157.2120.9-18.3114.6F47 E50 G51 E52 E57 L93 F94F47-R90 HydrophobicContact CE1-CB 4.33Å; F47-R90 HydrophobicContact CE1-CG 4.45Å; E50-R90 PolarHBondContact O-NH2 3.01Å; G51-R90 PolarHBondContact O-NH1 3.13Å; E52-R90 VanDerWaalsContact N-NH1 3.16Å; E52-R90 PolarHBondContact O-NH1 2.85Å; E57-R90 VanDerWaalsContact OE1-CG 3.29Å; E57-R90 WeakPolarHBondContact OE1-CG 3.41Å; E57-R90 IonicContact OE1-CZ 3.81Å; E57-R90 IonicContact OE1-NE 3.51Å; E57-R90 PolarHBondContact OE1-NE 3.34Å; E57-R90 IonicContact OE1-NH2 3.12Å; R90-L93 PolarHBondContact O-N 2.83Å; R90-F94 WeakPolarHBondContact O-CB 3.47Å; R90-F94 PolarHBondContact O-N 3.45Å
91K88.6Confident79Confident98 Ų9846.6 Ų46.643%0.42624%0.244SC..Hα-helixtrans-63.3-42.6177.2-173.3174.1179.9175.60112.7F44 C89 Y95F44-K91 HydrophobicContact CE2-CB 4.21Å; F44-K91 HydrophobicContact CE2-CG 4.43Å; F44-K91 HydrophobicContact CZ-CB 4.15Å; F44-K91 HydrophobicContact CZ-CG 4.38Å; C89-K91 PolarHBondContact O-N 2.74Å; K91-Y95 HydrophobicContact CD-CE2 4.45Å; K91-Y95 WeakPolarHBondContact CE-OH 3.32Å; K91-Y95 HydrophobicContact CG-CE1 4.42Å; K91-Y95 HydrophobicContact CG-CE2 3.9Å; K91-Y95 WeakPolarHBondContact O-CD2 3.26Å; K91-Y95 PolarHBondContact O-N 2.81Å
92T91.1Very high81.3Confident4 Ų443 Ų433%0.02523%0.227CC..Hα-helixtrans-69.2-44.8175.3-61.80000109.9V88 C89 F94 Y95 L96 Y166 Y191V88-T92 HydrophobicContact CG2-CG2 3.72Å; C89-T92 PolarHBondContact O-N 2.97Å; C89-T92 PolarHBondContact SG-OG1 3.04Å; C89-T92 VanDerWaalsContact SG-OG1 3.33Å; T92-F94 VanDerWaalsContact C-N 3.31Å; T92-F94 PolarHBondContact O-N 2.9Å; T92-Y95 WeakPolarHBondContact O-CA 3.41Å; T92-Y95 WeakPolarHBondContact O-CB 3.41Å; T92-Y95 PolarHBondContact O-N 2.83Å; T92-L96 HydrophobicContact CG2-CD1 4.4Å; T92-L96 HydrophobicContact CG2-CG 4.38Å; T92-L96 WeakPolarHBondContact O-CG 3.4Å; T92-L96 PolarHBondContact O-N 2.94Å; T92-Y166 HydrophobicContact CG2-CE2 3.95Å; T92-Y191 HydrophobicContact CG2-CD1 3.99Å; T92-Y191 HydrophobicContact CG2-CE1 4.12Å
93L91.6Very high83.6Confident1 Ų137 Ų371%0.00520%0.195CC..Hα-helixtrans-55.3-46.8176.8-178.360.3000111.9F47 V88 C89 R90 Y95 L96 I97 A115 F118F47-L93 HydrophobicContact CE1-CD2 4.49Å; F47-L93 HydrophobicContact CZ-CD2 3.92Å; F47-L93 HydrophobicContact CZ-CG 4.01Å; V88-L93 HydrophobicContact CG1-CB 4.18Å; C89-L93 PolarHBondContact O-N 3.48Å; R90-L93 PolarHBondContact O-N 2.83Å; L93-Y95 VanDerWaalsContact C-N 3.29Å; L93-Y95 PolarHBondContact O-N 3.33Å; L93-L96 PolarHBondContact O-N 3.49Å; L93-L96 VanDerWaalsContact O-N 3.1Å; L93-I97 HydrophobicContact CD1-CD1 4Å; L93-I97 HydrophobicContact CD1-CG1 4.29Å; L93-I97 HydrophobicContact CG-CD1 3.84Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 2.98Å; L93-A115 HydrophobicContact CD1-CB 4.48Å; L93-A115 HydrophobicContact CD2-CB 3.91Å; L93-F118 HydrophobicContact CD1-CD2 3.62Å; L93-F118 HydrophobicContact CD1-CE2 3.73Å; L93-F118 HydrophobicContact CD1-CG 4.33Å; L93-F118 HydrophobicContact CD1-CZ 4.49Å
94F92.1Very high85.7Confident6 Ų632 Ų323%0.02616%0.161CC..Hα-helixtrans-56.5-41.5173.2175.9-100.1000112.3M1 M43 F44 F47 R90 T92 T98M1-F94 HydrophobicContact CE-CE1 4.37Å; M43-F94 HydrophobicContact CB-CE2 3.96Å; M43-F94 HydrophobicContact CB-CZ 3.94Å; F44-F94 HydrophobicContact CB-CD1 4.25Å; F44-F94 HydrophobicContact CB-CD2 4.48Å; F44-F94 HydrophobicContact CB-CE1 3.9Å; F44-F94 HydrophobicContact CB-CE2 4.14Å; F44-F94 HydrophobicContact CB-CZ 3.83Å; F44-F94 HydrophobicContact CD2-CB 3.85Å; F44-F94 AromaticContact CD2-CD1 3.66Å; F44-F94 HydrophobicContact CD2-CD1 3.66Å; F44-F94 HydrophobicContact CD2-CD2 4.02Å; F44-F94 HydrophobicContact CD2-CE1 4.2Å; F44-F94 HydrophobicContact CD2-CE2 4.5Å; F44-F94 AromaticContact CD2-CG 3.56Å; F44-F94 HydrophobicContact CD2-CG 3.56Å; F44-F94 HydrophobicContact CE2-CB 4.1Å; F44-F94 HydrophobicContact CE2-CG 4.3Å; F44-F94 HydrophobicContact CG-CD1 4.34Å; F44-F94 HydrophobicContact CG-CE1 4.46Å; F47-F94 HydrophobicContact CB-CD2 3.91Å; F47-F94 HydrophobicContact CB-CE2 4.34Å; F47-F94 HydrophobicContact CD1-CB 4.03Å; F47-F94 HydrophobicContact CD1-CD2 4.18Å; F47-F94 HydrophobicContact CD2-CD2 4.31Å; F47-F94 HydrophobicContact CE1-CB 4.11Å; F47-F94 AromaticContact CG-CD2 3.87Å; F47-F94 HydrophobicContact CG-CD2 3.87Å; R90-F94 WeakPolarHBondContact O-CB 3.47Å; R90-F94 PolarHBondContact O-N 3.45Å; T92-F94 VanDerWaalsContact C-N 3.31Å; T92-F94 PolarHBondContact O-N 2.9Å; F94-T98 HydrophobicContact CD1-CG2 4.34Å; F94-T98 HydrophobicContact CD2-CG2 4.01Å; F94-T98 HydrophobicContact CE1-CG2 3.94Å; F94-T98 HydrophobicContact CE2-CG2 3.58Å; F94-T98 HydrophobicContact CG-CG2 4.38Å; F94-T98 HydrophobicContact CZ-CG2 3.54Å; F94-T98 WeakPolarHBondContact O-CB 3.43Å; F94-T98 WeakPolarHBondContact O-CG2 3.29Å; F94-T98 PolarHBondContact O-N 2.96Å; F94-T98 PolarHBondContact O-OG1 2.65Å
95Y94.3Very high87.3Confident9 Ų931.5 Ų31.54%0.03515%0.149CC..Hα-helixtrans-64.2-39.3175.9-63.7-23000112.7M1 C34 M36 K91 T92 L93 T98 T99 Y191M1-Y95 HydrophobicContact CE-CD1 3.3Å; M1-Y95 HydrophobicContact CE-CE1 3.75Å; M1-Y95 HydrophobicContact CE-CG 4.19Å; M1-Y95 HydrophobicContact SD-CD1 4.3Å; C34-Y95 HydrophobicContact CB-CD1 4.44Å; C34-Y95 HydrophobicContact CB-CD2 4.07Å; C34-Y95 HydrophobicContact CB-CE1 4.29Å; C34-Y95 HydrophobicContact CB-CE2 3.93Å; C34-Y95 HydrophobicContact CB-CG 4.31Å; C34-Y95 PolarHBondContact O-OH 3.3Å; M36-Y95 HydrophobicContact CE-CE1 4.01Å; K91-Y95 HydrophobicContact CD-CE2 4.45Å; K91-Y95 WeakPolarHBondContact CE-OH 3.32Å; K91-Y95 HydrophobicContact CG-CE1 4.42Å; K91-Y95 HydrophobicContact CG-CE2 3.9Å; K91-Y95 WeakPolarHBondContact O-CD2 3.26Å; K91-Y95 PolarHBondContact O-N 2.81Å; T92-Y95 WeakPolarHBondContact O-CA 3.41Å; T92-Y95 WeakPolarHBondContact O-CB 3.41Å; T92-Y95 PolarHBondContact O-N 2.83Å; L93-Y95 VanDerWaalsContact C-N 3.29Å; L93-Y95 PolarHBondContact O-N 3.33Å; Y95-T98 PolarHBondContact O-OG1 3.18Å; Y95-T99 WeakPolarHBondContact O-CB 3.27Å; Y95-T99 PolarHBondContact O-N 3.45Å; Y95-T99 PolarHBondContact O-OG1 2.96Å; Y95-Y191 HydrophobicContact CD2-CE1 4.45Å; Y95-Y191 HydrophobicContact CD2-CE2 4.41Å; Y95-Y191 AromaticContact CD2-CZ 3.94Å; Y95-Y191 WeakPolarHBondContact CE2-OH 3.04Å
96L94.8Very high88.7Confident0 Ų035.7 Ų35.70%018%0.176CC..Hα-helixtrans-65.2-51.1176.6-57.8177.7000110.8T92 L93 T98 T99 L100 F118 Y166 F189 I198T92-L96 HydrophobicContact CG2-CD1 4.4Å; T92-L96 HydrophobicContact CG2-CG 4.38Å; T92-L96 WeakPolarHBondContact O-CG 3.4Å; T92-L96 PolarHBondContact O-N 2.94Å; L93-L96 PolarHBondContact O-N 3.49Å; L93-L96 VanDerWaalsContact O-N 3.1Å; L96-T98 PolarHBondContact O-N 2.86Å; L96-T99 WeakPolarHBondContact O-CB 3.36Å; L96-T99 PolarHBondContact O-N 3.31Å; L96-T99 VanDerWaalsContact O-N 3.09Å; L96-L100 PolarHBondContact O-N 3Å; L96-F118 HydrophobicContact CB-CD1 4.15Å; L96-F118 HydrophobicContact CB-CE1 3.7Å; L96-F118 HydrophobicContact CB-CZ 4.24Å; L96-F118 HydrophobicContact CD1-CD1 3.83Å; L96-F118 HydrophobicContact CD1-CE1 4.27Å; L96-F118 HydrophobicContact CD1-CG 4.33Å; L96-Y166 HydrophobicContact CD1-CD1 4.16Å; L96-Y166 HydrophobicContact CD1-CD2 4.33Å; L96-Y166 HydrophobicContact CD1-CG 3.9Å; L96-Y166 HydrophobicContact CD2-CD2 4.1Å; L96-Y166 HydrophobicContact CD2-CG 4.32Å; L96-F189 HydrophobicContact CB-CE1 4.45Å; L96-F189 HydrophobicContact CD2-CB 3.67Å; L96-F189 HydrophobicContact CD2-CD1 3.75Å; L96-F189 HydrophobicContact CD2-CD2 4.14Å; L96-F189 HydrophobicContact CD2-CE1 4.41Å; L96-F189 HydrophobicContact CD2-CG 3.59Å; L96-I198 HydrophobicContact CD2-CD1 4.42Å
97I92.6Very high89.3Confident5 Ų538.4 Ų38.43%0.02619%0.191CC..Hα-helixtrans-60.5-46.6179.9-66.4169.4000111.6F47 L93 T99 L100 N101 F110 A113 F118F47-I97 HydrophobicContact CE2-CD1 3.64Å; F47-I97 HydrophobicContact CZ-CD1 3.86Å; L93-I97 HydrophobicContact CD1-CD1 4Å; L93-I97 HydrophobicContact CD1-CG1 4.29Å; L93-I97 HydrophobicContact CG-CD1 3.84Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 2.98Å; I97-T99 VanDerWaalsContact C-N 3.25Å; I97-T99 PolarHBondContact O-N 2.97Å; I97-L100 WeakPolarHBondContact O-CB 3.38Å; I97-L100 PolarHBondContact O-N 3.13Å; I97-N101 PolarHBondContact O-N 3.41Å; I97-F110 HydrophobicContact CG2-CB 4.42Å; I97-F110 WeakPolarHBondContact CG2-O 3.4Å; I97-A113 HydrophobicContact CD1-CB 4.45Å; I97-A113 VanDerWaalsContact CD1-O 3.25Å; I97-A113 WeakPolarHBondContact CD1-O 3.49Å; I97-A113 HydrophobicContact CG1-CB 4.23Å; I97-F118 HydrophobicContact CG1-CE2 4.02Å; I97-F118 HydrophobicContact CG1-CZ 3.87Å
98T92.8Very high89.5Confident9 Ų936.3 Ų36.36%0.05518%0.18CC..Hα-helixtrans-69.2-24.1177.851.70000112.9M1 F94 Y95 L96 E102M1-T98 VanDerWaalsContact CE-OG1 3.32Å; M1-T98 WeakPolarHBondContact CE-OG1 3.36Å; M1-T98 VanDerWaalsContact CG-OG1 3.28Å; M1-T98 WeakPolarHBondContact CG-OG1 3.43Å; F94-T98 HydrophobicContact CD1-CG2 4.34Å; F94-T98 HydrophobicContact CD2-CG2 4.01Å; F94-T98 HydrophobicContact CE1-CG2 3.94Å; F94-T98 HydrophobicContact CE2-CG2 3.58Å; F94-T98 HydrophobicContact CG-CG2 4.38Å; F94-T98 HydrophobicContact CZ-CG2 3.54Å; F94-T98 WeakPolarHBondContact O-CB 3.43Å; F94-T98 WeakPolarHBondContact O-CG2 3.29Å; F94-T98 PolarHBondContact O-N 2.96Å; F94-T98 PolarHBondContact O-OG1 2.65Å; Y95-T98 PolarHBondContact O-OG1 3.18Å; L96-T98 PolarHBondContact O-N 2.86Å; T98-E102 VanDerWaalsContact O-CG 3.27Å; T98-E102 WeakPolarHBondContact O-CG 3.29Å; T98-E102 PolarHBondContact O-N 3.3Å
99T94.8Very high89.7Confident0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-71.1-43.5171.6-59.20000110.8Y32 Y95 L96 I97 E102 S103 F189 I198 F200Y32-T99 HydrophobicContact CD2-CG2 3.58Å; Y32-T99 HydrophobicContact CE2-CG2 3.83Å; Y32-T99 HydrophobicContact CG-CG2 4.09Å; Y95-T99 WeakPolarHBondContact O-CB 3.27Å; Y95-T99 PolarHBondContact O-N 3.45Å; Y95-T99 PolarHBondContact O-OG1 2.96Å; L96-T99 WeakPolarHBondContact O-CB 3.36Å; L96-T99 PolarHBondContact O-N 3.31Å; L96-T99 VanDerWaalsContact O-N 3.09Å; I97-T99 VanDerWaalsContact C-N 3.25Å; I97-T99 PolarHBondContact O-N 2.97Å; T99-E102 PolarHBondContact O-N 3.18Å; T99-S103 WeakPolarHBondContact O-CB 3.26Å; T99-S103 PolarHBondContact O-N 2.8Å; T99-F189 HydrophobicContact CG2-CD1 4.2Å; T99-F189 HydrophobicContact CG2-CE1 4.11Å; T99-I198 HydrophobicContact CG2-CG2 4.09Å; T99-F200 HydrophobicContact CG2-CB 3.78Å; T99-F200 HydrophobicContact CG2-CG 4.05Å
100L93Very high89.8Confident0 Ų040.2 Ų40.20%020%0.197CC..Hα-helixtrans-57.1-51.2173-73.2171.8000111.4L96 I97 E102 S103 F104 F110 F118 Y168 F189 F200L96-L100 PolarHBondContact O-N 3Å; I97-L100 WeakPolarHBondContact O-CB 3.38Å; I97-L100 PolarHBondContact O-N 3.13Å; L100-E102 VanDerWaalsContact C-N 3.3Å; L100-E102 PolarHBondContact O-N 2.99Å; L100-S103 PolarHBondContact O-N 3.5Å; L100-S103 VanDerWaalsContact O-N 3.13Å; L100-F104 HydrophobicContact CB-CD2 4.49Å; L100-F104 HydrophobicContact CD2-CD2 4.1Å; L100-F104 HydrophobicContact CD2-CE2 3.69Å; L100-F104 VanDerWaalsContact O-CD2 3.3Å; L100-F104 WeakPolarHBondContact O-CD2 3.39Å; L100-F104 PolarHBondContact O-N 2.79Å; L100-F110 HydrophobicContact CB-CB 4.13Å; L100-F110 HydrophobicContact CB-CD1 4.35Å; L100-F110 HydrophobicContact CB-CD2 3.69Å; L100-F110 HydrophobicContact CB-CE2 4.18Å; L100-F110 HydrophobicContact CB-CG 3.77Å; L100-F110 HydrophobicContact CD1-CB 4.39Å; L100-F110 HydrophobicContact CD1-CD1 4.02Å; L100-F110 HydrophobicContact CD1-CG 4.14Å; L100-F118 HydrophobicContact CD1-CE1 3.91Å; L100-F118 HydrophobicContact CD1-CZ 3.75Å; L100-Y168 HydrophobicContact CD1-CD1 3.87Å; L100-Y168 HydrophobicContact CD1-CD2 3.86Å; L100-Y168 HydrophobicContact CD1-CE1 4.12Å; L100-Y168 HydrophobicContact CD1-CE2 4.12Å; L100-Y168 HydrophobicContact CD1-CG 3.73Å; L100-Y168 HydrophobicContact CD2-CD1 4.12Å; L100-Y168 HydrophobicContact CD2-CG 4.43Å; L100-F189 HydrophobicContact CD1-CZ 4.15Å; L100-F189 HydrophobicContact CD2-CE1 4.25Å; L100-F189 HydrophobicContact CD2-CZ 3.64Å; L100-F189 HydrophobicContact CG-CE1 4.08Å; L100-F189 HydrophobicContact CG-CZ 3.65Å; L100-F200 HydrophobicContact CD2-CE1 4.43Å; L100-F200 HydrophobicContact CD2-CE2 4.05Å; L100-F200 HydrophobicContact CD2-CZ 3.67Å
101N91.4Very high89.9Confident8 Ų842.3 Ų42.34%0.04322%0.216CC..Hα-helixtrans-57.3-40.6179.5-85.4-35.1000112.7I97 R105 D109 F110 S111I97-N101 PolarHBondContact O-N 3.41Å; N101-R105 VanDerWaalsContact O-CB 3.3Å; N101-R105 WeakPolarHBondContact O-CB 3.43Å; N101-R105 WeakPolarHBondContact O-CD 3.4Å; N101-R105 WeakPolarHBondContact O-CG 3.25Å; N101-R105 PolarHBondContact O-N 3.39Å; N101-D109 PolarHBondContact OD1-OD1 3.02Å; N101-F110 PolarHBondContact OD1-N 2.94Å; N101-S111 PolarHBondContact ND2-OG 3.16Å
102E92Very high89.7Confident71 Ų7141.8 Ų41.833%0.33223%0.23SC..Hα-helixtrans-72.4-35.3177.9-67.8-65.7148.600112.5M1 Y32 T98 T99 L100 R105M1-E102 HydrophobicContact CB-CG 4.16Å; M1-E102 WeakPolarHBondContact O-CG 3.1Å; Y32-E102 HydrophobicContact CE1-CB 3.8Å; T98-E102 VanDerWaalsContact O-CG 3.27Å; T98-E102 WeakPolarHBondContact O-CG 3.29Å; T98-E102 PolarHBondContact O-N 3.3Å; T99-E102 PolarHBondContact O-N 3.18Å; L100-E102 VanDerWaalsContact C-N 3.3Å; L100-E102 PolarHBondContact O-N 2.99Å; E102-R105 IonicContact OE1-CZ 3.89Å; E102-R105 IonicContact OE1-NH1 3.02Å; E102-R105 PolarHBondContact OE1-NH1 3.01Å
103S91.9Very high89.5Confident9 Ų942 Ų426%0.06323%0.232CC..Hα-helixtrans-71.8-34.3-179.2-167.90000113.4R28 E30 Y32 T99 L100 F200R28-S103 PolarHBondContact NH2-O 2.95Å; R28-S103 PolarHBondContact NH2-OG 3.31Å; E30-S103 VanDerWaalsContact OE2-CB 3.26Å; E30-S103 WeakPolarHBondContact OE2-CB 3.37Å; E30-S103 PolarHBondContact OE2-OG 2.99Å; Y32-S103 VanDerWaalsContact OH-CA 3.3Å; Y32-S103 WeakPolarHBondContact OH-CA 3.29Å; Y32-S103 WeakPolarHBondContact OH-CB 3.34Å; Y32-S103 PolarHBondContact OH-N 2.82Å; T99-S103 WeakPolarHBondContact O-CB 3.26Å; T99-S103 PolarHBondContact O-N 2.8Å; L100-S103 PolarHBondContact O-N 3.5Å; L100-S103 VanDerWaalsContact O-N 3.13Å; S103-F200 WeakPolarHBondContact OG-CD1 3.25Å; S103-F200 WeakPolarHBondContact OG-CE1 3.27Å
104F89.5Confident89.3Confident16 Ų1650 Ų507%0.0726%0.262CS..Hα-helixtrans-110.77-171.9-66.9-65.9000114.4R28 L100 D107 Y108 F110 F177 F200 T202R28-F104 VanDerWaalsContact NH2-CE1 3.28Å; L100-F104 HydrophobicContact CB-CD2 4.49Å; L100-F104 HydrophobicContact CD2-CD2 4.1Å; L100-F104 HydrophobicContact CD2-CE2 3.69Å; L100-F104 VanDerWaalsContact O-CD2 3.3Å; L100-F104 WeakPolarHBondContact O-CD2 3.39Å; L100-F104 PolarHBondContact O-N 2.79Å; F104-D107 PolarHBondContact O-N 3.24Å; F104-Y108 HydrophobicContact CB-CD2 4.15Å; F104-Y108 PolarHBondContact O-N 2.84Å; F104-Y108 VanDerWaalsContact O-N 3.1Å; F104-F110 HydrophobicContact CB-CE2 3.69Å; F104-F110 HydrophobicContact CB-CZ 4.37Å; F104-F110 AromaticContact CD2-CE2 3.61Å; F104-F110 HydrophobicContact CD2-CE2 3.61Å; F104-F110 AromaticContact CD2-CZ 3.82Å; F104-F110 HydrophobicContact CD2-CZ 3.82Å; F104-F110 HydrophobicContact CE2-CZ 4.5Å; F104-F110 AromaticContact CG-CE2 3.96Å; F104-F110 HydrophobicContact CG-CE2 3.96Å; F104-F110 HydrophobicContact CG-CZ 4.25Å; F104-F177 HydrophobicContact CE1-CE1 4.03Å; F104-F177 AromaticContact CE1-CZ 3.61Å; F104-F177 HydrophobicContact CE1-CZ 3.61Å; F104-F177 HydrophobicContact CE2-CZ 4.33Å; F104-F177 HydrophobicContact CZ-CE1 4.37Å; F104-F177 HydrophobicContact CZ-CE2 4.36Å; F104-F177 AromaticContact CZ-CZ 3.51Å; F104-F177 HydrophobicContact CZ-CZ 3.51Å; F104-F200 AromaticContact CE2-CE1 3.66Å; F104-F200 HydrophobicContact CE2-CE1 3.66Å; F104-F200 AromaticContact CE2-CZ 3.73Å; F104-F200 HydrophobicContact CE2-CZ 3.73Å; F104-F200 AromaticContact CZ-CE1 3.88Å; F104-F200 HydrophobicContact CZ-CE1 3.88Å; F104-F200 HydrophobicContact CZ-CZ 4.05Å; F104-T202 HydrophobicContact CE1-CG2 4.46Å; F104-T202 HydrophobicContact CZ-CG2 4.01Å
105R84.9Confident89.1Confident134 Ų13449.9 Ų49.951%0.50626%0.262SS..THydrogen-bonded Turntrans-68.7143.8171.7-96.1167.1-175.3-175.71.4111N101 E102N101-R105 VanDerWaalsContact O-CB 3.3Å; N101-R105 WeakPolarHBondContact O-CB 3.43Å; N101-R105 WeakPolarHBondContact O-CD 3.4Å; N101-R105 WeakPolarHBondContact O-CG 3.25Å; N101-R105 PolarHBondContact O-N 3.39Å; E102-R105 IonicContact OE1-CZ 3.89Å; E102-R105 IonicContact OE1-NH1 3.02Å; E102-R105 PolarHBondContact OE1-NH1 3.01Å
106P85.2Confident88.7Confident122 Ų12252.7 Ų52.779%0.79228%0.276SS*.THydrogen-bonded Turncis-89.93.70.537-35.6000114.3Y108P106-Y108 PolarHBondContact O-N 3.13Å
107D84.4Confident88.4Confident126 Ų12653.1 Ų53.167%0.67428%0.278SS*.THydrogen-bonded Turntrans-73-31.4-165.5-53.4-54.5000113.1F104F104-D107 PolarHBondContact O-N 3.24Å
108Y83.4Confident88.4Confident70 Ų7052.9 Ų52.928%0.27528%0.277SS..  trans-134.7147.7-175.9-61.4-79.7000113.3F104 P106 F110 P176F104-Y108 HydrophobicContact CB-CD2 4.15Å; F104-Y108 PolarHBondContact O-N 2.84Å; F104-Y108 VanDerWaalsContact O-N 3.1Å; P106-Y108 PolarHBondContact O-N 3.13Å; Y108-F110 VanDerWaalsContact CB-CE2 3.44Å; Y108-F110 HydrophobicContact CG-CE2 4.46Å; Y108-F110 HydrophobicContact CG-CZ 4.32Å; Y108-P176 HydrophobicContact CD1-CB 3.22Å; Y108-P176 HydrophobicContact CD2-CB 4.09Å; Y108-P176 VanDerWaalsContact CE1-CA 3.46Å; Y108-P176 HydrophobicContact CE1-CB 3.24Å; Y108-P176 HydrophobicContact CE2-CB 4.11Å; Y108-P176 HydrophobicContact CG-CB 3.67Å; Y108-P176 PolarHBondContact OH-O 2.7Å
109D86.4Confident88.4Confident121 Ų12152.5 Ų52.565%0.64727%0.274SS*.  trans-121.3114.7174-177.715000111N101 S111N101-D109 PolarHBondContact OD1-OD1 3.02Å; D109-S111 WeakPolarHBondContact OD1-CB 3.26Å; D109-S111 PolarHBondContact OD1-N 2.96Å; D109-S111 PolarHBondContact OD1-OG 3.41Å
110F87.9Confident88.3Confident10 Ų1056.6 Ų56.64%0.04429%0.29CS..  trans-101.111.8-179.9-58.8-86.9000112.6I97 L100 N101 F104 Y108 A112 A113 Y168 P176I97-F110 HydrophobicContact CG2-CB 4.42Å; I97-F110 WeakPolarHBondContact CG2-O 3.4Å; L100-F110 HydrophobicContact CB-CB 4.13Å; L100-F110 HydrophobicContact CB-CD1 4.35Å; L100-F110 HydrophobicContact CB-CD2 3.69Å; L100-F110 HydrophobicContact CB-CE2 4.18Å; L100-F110 HydrophobicContact CB-CG 3.77Å; L100-F110 HydrophobicContact CD1-CB 4.39Å; L100-F110 HydrophobicContact CD1-CD1 4.02Å; L100-F110 HydrophobicContact CD1-CG 4.14Å; N101-F110 PolarHBondContact OD1-N 2.94Å; F104-F110 HydrophobicContact CB-CE2 3.69Å; F104-F110 HydrophobicContact CB-CZ 4.37Å; F104-F110 AromaticContact CD2-CE2 3.61Å; F104-F110 HydrophobicContact CD2-CE2 3.61Å; F104-F110 AromaticContact CD2-CZ 3.82Å; F104-F110 HydrophobicContact CD2-CZ 3.82Å; F104-F110 HydrophobicContact CE2-CZ 4.5Å; F104-F110 AromaticContact CG-CE2 3.96Å; F104-F110 HydrophobicContact CG-CE2 3.96Å; F104-F110 HydrophobicContact CG-CZ 4.25Å; Y108-F110 VanDerWaalsContact CB-CE2 3.44Å; Y108-F110 HydrophobicContact CG-CE2 4.46Å; Y108-F110 HydrophobicContact CG-CZ 4.32Å; F110-A112 PolarHBondContact O-N 3.1Å; F110-A113 HydrophobicContact CB-CB 4.3Å; F110-A113 WeakPolarHBondContact O-CB 3.5Å; F110-A113 PolarHBondContact O-N 3.49Å; F110-Y168 HydrophobicContact CD1-CE1 4.03Å; F110-Y168 AromaticContact CD1-CZ 3.94Å; F110-Y168 AromaticContact CE1-CE1 3.73Å; F110-Y168 HydrophobicContact CE1-CE1 3.73Å; F110-P176 HydrophobicContact CE1-CB 4.37Å; F110-P176 HydrophobicContact CE1-CG 3.74Å; F110-P176 HydrophobicContact CZ-CB 4.08Å; F110-P176 HydrophobicContact CZ-CG 3.75Å
111S85.8Confident88.4Confident69 Ų6957.3 Ų57.348%0.48329%0.293SS..THydrogen-bonded Turntrans-59.3-22.6-176-59.50000113.8N101 D109N101-S111 PolarHBondContact ND2-OG 3.16Å; D109-S111 WeakPolarHBondContact OD1-CB 3.26Å; D109-S111 PolarHBondContact OD1-N 2.96Å; D109-S111 PolarHBondContact OD1-OG 3.41Å
112A84.6Confident88.3Confident88 Ų8861 Ų6173%0.72732%0.317SS*.THydrogen-bonded Turntrans-94.8-0.1176.500000114.5F110F110-A112 PolarHBondContact O-N 3.1Å
113A87.1Confident88.4Confident9 Ų960.1 Ų60.17%0.07432%0.319CS..  trans-63.1139.4-177.700000111.5I97 F110 E117 F118 Y168I97-A113 HydrophobicContact CD1-CB 4.45Å; I97-A113 VanDerWaalsContact CD1-O 3.25Å; I97-A113 WeakPolarHBondContact CD1-O 3.49Å; I97-A113 HydrophobicContact CG1-CB 4.23Å; F110-A113 HydrophobicContact CB-CB 4.3Å; F110-A113 WeakPolarHBondContact O-CB 3.5Å; F110-A113 PolarHBondContact O-N 3.49Å; A113-E117 VanDerWaalsContact CA-OE2 3.27Å; A113-E117 WeakPolarHBondContact CA-OE2 3.36Å; A113-F118 HydrophobicContact CB-CE2 4.25Å; A113-Y168 HydrophobicContact CB-CE2 4.37Å
114R86.3Confident88.5Confident167 Ų16761.4 Ų61.463%0.6333%0.325SS*.  trans-111.6160.4-172.3-63.4-171.2-179.2171.62.3112H116 E117 F118R114-H116 WeakPolarHBondContact CB-ND1 3.34Å; R114-H116 PolarHBondContact O-N 3.35Å; R114-H116 VanDerWaalsContact O-N 3.13Å; R114-E117 PolarHBondContact N-OE2 3.37Å; R114-E117 WeakPolarHBondContact O-CB 3.37Å; R114-E117 PolarHBondContact O-N 3.23Å; R114-F118 VanDerWaalsContact O-CD2 3.26Å; R114-F118 WeakPolarHBondContact O-CD2 3.32Å
115A87.8Confident88.8Confident4 Ų465.7 Ų65.73%0.03335%0.349CS..G310 helixtrans-56.1-31.7-17900000114E57 L59 V88 L93 E117 F118E57-A115 HydrophobicContact CB-CB 3.44Å; E57-A115 VanDerWaalsContact CB-CB 3.44Å; E57-A115 HydrophobicContact CG-CB 4.39Å; E57-A115 WeakPolarHBondContact OE2-CB 3.35Å; L59-A115 WeakPolarHBondContact CD2-O 3.48Å; V88-A115 HydrophobicContact CG1-CB 4.42Å; L93-A115 HydrophobicContact CD1-CB 4.48Å; L93-A115 HydrophobicContact CD2-CB 3.91Å; A115-E117 PolarHBondContact O-N 2.9Å; A115-F118 PolarHBondContact O-N 3.46Å
116H86.1Confident89.1Confident69 Ų6963.6 Ų63.632%0.31934%0.341SS..G310 helixtrans-71.6-12.5179.975.8-94.1000113.3S60 R114 F118 D171S60-H116 WeakPolarHBondContact CB-O 3.45Å; S60-H116 PolarHBondContact OG-O 3.19Å; R114-H116 WeakPolarHBondContact CB-ND1 3.34Å; R114-H116 PolarHBondContact O-N 3.35Å; R114-H116 VanDerWaalsContact O-N 3.13Å; H116-F118 VanDerWaalsContact C-N 3.25Å; H116-D171 IonicContact CD2-OD2 3.97Å; H116-D171 IonicContact CE1-OD2 3.6Å; H116-D171 IonicContact NE2-OD2 3.98Å; H116-D171 PolarHBondContact NE2-OD2 3.49Å
117E88.8Confident89.6Confident9 Ų957.8 Ų57.84%0.04230%0.303CS..G310 helixtrans-86.2-0.7171.5-61.4171.477.500111.9A113 R114 A115 Y168 N169A113-E117 VanDerWaalsContact CA-OE2 3.27Å; A113-E117 WeakPolarHBondContact CA-OE2 3.36Å; R114-E117 PolarHBondContact N-OE2 3.37Å; R114-E117 WeakPolarHBondContact O-CB 3.37Å; R114-E117 PolarHBondContact O-N 3.23Å; A115-E117 PolarHBondContact O-N 2.9Å; E117-Y168 HydrophobicContact CB-CD2 4.07Å; E117-Y168 HydrophobicContact CB-CE2 3.6Å; E117-Y168 HydrophobicContact CG-CE2 4.48Å; E117-Y168 WeakPolarHBondContact O-CD2 3.18Å; E117-Y168 PolarHBondContact OE1-OH 2.92Å; E117-N169 CarbonylContact O-C 3.48Å; E117-N169 PolarHBondContact O-N 2.88Å
118F92.4Very high90.2Very high0 Ų053.1 Ų53.10%028%0.279CS..EExtended strand (participates in β ladder)trans-114.8147.6177.1-62.2-93.2000110.5L59 S60 L93 L96 I97 L100 A113 R114 A115 H116 S167 Y168 F189L59-F118 WeakPolarHBondContact CB-O 3.44Å; L59-F118 HydrophobicContact CD2-CB 3.76Å; S60-F118 PolarHBondContact N-O 2.84Å; L93-F118 HydrophobicContact CD1-CD2 3.62Å; L93-F118 HydrophobicContact CD1-CE2 3.73Å; L93-F118 HydrophobicContact CD1-CG 4.33Å; L93-F118 HydrophobicContact CD1-CZ 4.49Å; L96-F118 HydrophobicContact CB-CD1 4.15Å; L96-F118 HydrophobicContact CB-CE1 3.7Å; L96-F118 HydrophobicContact CB-CZ 4.24Å; L96-F118 HydrophobicContact CD1-CD1 3.83Å; L96-F118 HydrophobicContact CD1-CE1 4.27Å; L96-F118 HydrophobicContact CD1-CG 4.33Å; I97-F118 HydrophobicContact CG1-CE2 4.02Å; I97-F118 HydrophobicContact CG1-CZ 3.87Å; L100-F118 HydrophobicContact CD1-CE1 3.91Å; L100-F118 HydrophobicContact CD1-CZ 3.75Å; A113-F118 HydrophobicContact CB-CE2 4.25Å; R114-F118 VanDerWaalsContact O-CD2 3.26Å; R114-F118 WeakPolarHBondContact O-CD2 3.32Å; A115-F118 PolarHBondContact O-N 3.46Å; H116-F118 VanDerWaalsContact C-N 3.25Å; F118-S167 CarbonylContact C-O 3.57Å; F118-S167 VanDerWaalsContact CA-O 3.22Å; F118-S167 WeakPolarHBondContact CA-O 3.37Å; F118-Y168 AromaticContact CD1-CD2 3.93Å; F118-Y168 HydrophobicContact CD1-CD2 3.93Å; F118-Y168 HydrophobicContact CD1-CG 4.47Å; F118-Y168 HydrophobicContact CD2-CD2 4.28Å; F118-Y168 AromaticContact CE1-CD2 3.51Å; F118-Y168 HydrophobicContact CE1-CD2 3.51Å; F118-Y168 HydrophobicContact CE1-CE2 4.44Å; F118-Y168 HydrophobicContact CE1-CG 4.03Å; F118-Y168 AromaticContact CE2-CD2 3.89Å; F118-Y168 HydrophobicContact CE2-CD2 3.89Å; F118-Y168 HydrophobicContact CE2-CE2 4.15Å; F118-Y168 HydrophobicContact CG-CD2 4.3Å; F118-Y168 AromaticContact CZ-CD2 3.49Å; F118-Y168 HydrophobicContact CZ-CD2 3.49Å; F118-Y168 VanDerWaalsContact CZ-CD2 3.49Å; F118-Y168 AromaticContact CZ-CE2 3.98Å; F118-Y168 HydrophobicContact CZ-CE2 3.98Å; F118-Y168 HydrophobicContact CZ-CG 4.35Å; F118-F189 HydrophobicContact CD1-CE2 4.4Å; F118-F189 HydrophobicContact CE1-CE2 4.19Å; F118-F189 HydrophobicContact CE1-CZ 4.2Å
119S92.9Very high90.7Very high0 Ų053.5 Ų53.50%029%0.286CS..EExtended strand (participates in β ladder)trans-128145.4173.3-52.70000110S60 P61 Y166 S167 N169S60-S119 WeakPolarHBondContact O-CA 3.5Å; S60-S119 WeakPolarHBondContact O-CB 3.34Å; S60-S119 PolarHBondContact O-OG 2.85Å; P61-S119 PolarHBondContact O-OG 2.96Å; S119-Y166 CarbonylContact O-C 3.41Å; S119-Y166 WeakPolarHBondContact O-CA 3.28Å; S119-S167 PolarHBondContact N-O 2.78Å; S119-S167 PolarHBondContact O-N 3.17Å; S119-N169 PolarHBondContact OG-ND2 2.96Å
120R93.6Very high91.1Very high87 Ų8748.9 Ų48.933%0.32826%0.264SS..EExtended strand (participates in β ladder)trans-92.1124.6170.9-178.9162.8178.6-108.54.6108.8L59 P62 D86 D164 Y166L59-R120 HydrophobicContact CD1-CB 3.59Å; P62-R120 WeakPolarHBondContact CG-O 3.46Å; D86-R120 HydrophobicContact CB-CB 3.93Å; D86-R120 IonicContact OD1-NH1 3.93Å; D86-R120 WeakPolarHBondContact OD2-CB 3.41Å; D86-R120 WeakPolarHBondContact OD2-CD 3.24Å; D86-R120 WeakPolarHBondContact OD2-CG 3.41Å; D86-R120 IonicContact OD2-CZ 3.86Å; D86-R120 IonicContact OD2-NE 3.93Å; D86-R120 IonicContact OD2-NH1 2.98Å; D86-R120 PolarHBondContact OD2-NH1 3.39Å; R120-D164 IonicContact CZ-OD1 3.04Å; R120-D164 IonicContact NE-OD1 3.31Å; R120-D164 IonicContact NH2-OD1 2.68Å; R120-D164 PolarHBondContact NH2-OD1 3.32Å; R120-Y166 HydrophobicContact CB-CD1 4.04Å; R120-Y166 HydrophobicContact CB-CE1 4.02Å; R120-Y166 HydrophobicContact CG-CD1 4.33Å; R120-Y166 HydrophobicContact CG-CE1 4.05Å
121E93.6Very high91.5Very high15 Ų1548.4 Ų48.47%0.0726%0.262CS..  trans-78.8139.9-174.9-64.6-61.3148.700111.2S123 V127 I165 S167 Y188E121-S123 PolarHBondContact O-N 2.81Å; E121-V127 HydrophobicContact CB-CG2 3.52Å; E121-V127 HydrophobicContact CG-CG2 3.6Å; E121-I165 HydrophobicContact CB-CB 4.04Å; E121-I165 HydrophobicContact CB-CG2 4.05Å; E121-I165 HydrophobicContact CG-CG2 4.06Å; E121-I165 PolarHBondContact N-O 2.82Å; E121-S167 WeakPolarHBondContact OE1-CB 3.31Å; E121-S167 PolarHBondContact OE1-OG 3.17Å; E121-Y188 HydrophobicContact CG-CD1 4.18Å; E121-Y188 HydrophobicContact CG-CE1 3.9Å
122P90.4Very high91.9Very high84 Ų8447.2 Ų47.255%0.54525%0.25SS..SBendtrans-72.1-29.8-168.325-31.9000113.3W126P122-W126 HydrophobicContact CG-CB 4.11Å; P122-W126 HydrophobicContact CG-CD2 4.11Å; P122-W126 HydrophobicContact CG-CG 3.79Å
123S93Very high92.4Very high53 Ų5346.9 Ų46.937%0.37124%0.243SC..  trans-161.5159.2176.268.10000112.4E121 N125 W126 V127E121-S123 PolarHBondContact O-N 2.81Å; S123-N125 VanDerWaalsContact C-N 3.31Å; S123-N125 PolarHBondContact O-N 2.95Å; S123-W126 WeakPolarHBondContact O-CB 3.47Å; S123-W126 PolarHBondContact O-N 2.63Å; S123-W126 WeakPolarHBondContact OG-CB 3.38Å; S123-W126 PolarHBondContact OG-N 3.48Å; S123-W126 VanDerWaalsContact OG-N 3.16Å; S123-V127 PolarHBondContact O-N 2.89Å
124L94.6Very high92.7Very high36 Ų3648 Ų4819%0.18825%0.25CC..Hα-helixtrans-57.1-44.4171176.962.7000112.1W126 V127 V128 L160 I165 F190L124-W126 PolarHBondContact O-N 3.3Å; L124-V127 PolarHBondContact O-N 3.46Å; L124-V128 HydrophobicContact CD1-CG2 3.9Å; L124-V128 HydrophobicContact CG-CG2 4.08Å; L124-V128 WeakPolarHBondContact O-CB 3.42Å; L124-V128 VanDerWaalsContact O-CG2 3.28Å; L124-V128 WeakPolarHBondContact O-CG2 3.33Å; L124-V128 PolarHBondContact O-N 3.01Å; L124-L160 HydrophobicContact CD1-CB 4.07Å; L124-L160 HydrophobicContact CD1-CD1 4.21Å; L124-L160 HydrophobicContact CD1-CD2 3.91Å; L124-L160 HydrophobicContact CD1-CG 4.3Å; L124-L160 HydrophobicContact CD2-CB 3.69Å; L124-L160 HydrophobicContact CD2-CD1 4.49Å; L124-I165 HydrophobicContact CB-CD1 3.99Å; L124-I165 HydrophobicContact CD1-CD1 3.84Å; L124-F190 HydrophobicContact CD1-CE1 4.27Å
125N95.4Very high93Very high107 Ų10740 Ų4057%0.57222%0.22SC*.Hα-helixtrans-60.5-36.6-178.8-174.972.8000112.1S123 N129S123-N125 VanDerWaalsContact C-N 3.31Å; S123-N125 PolarHBondContact O-N 2.95Å; N125-N129 PolarHBondContact ND2-ND2 3.18Å; N125-N129 WeakPolarHBondContact O-CB 3.2Å; N125-N129 PolarHBondContact O-N 3.33Å; N125-N129 PolarHBondContact O-ND2 3.03Å; N125-N129 VanDerWaalsContact O-ND2 3.14Å
126W92.1Very high93.2Very high89 Ų8944.5 Ų44.534%0.33724%0.239SC..Hα-helixtrans-60.5-51.3175-178.4-97.3000111.8T65 P122 S123 L124 N129 A130T65-W126 HydrophobicContact CG2-CZ2 4.34Å; P122-W126 HydrophobicContact CG-CB 4.11Å; P122-W126 HydrophobicContact CG-CD2 4.11Å; P122-W126 HydrophobicContact CG-CG 3.79Å; S123-W126 WeakPolarHBondContact O-CB 3.47Å; S123-W126 PolarHBondContact O-N 2.63Å; S123-W126 WeakPolarHBondContact OG-CB 3.38Å; S123-W126 PolarHBondContact OG-N 3.48Å; S123-W126 VanDerWaalsContact OG-N 3.16Å; L124-W126 PolarHBondContact O-N 3.3Å; W126-N129 PolarHBondContact O-N 2.83Å; W126-A130 PolarHBondContact O-N 3.22Å
127V95.6Very high93.4Very high0 Ų045.3 Ų45.30%025%0.252CS..Hα-helixtrans-65-43.4-179.4178.10000111.1E121 S123 L124 N129 A130 V131 I165 Y188 F190E121-V127 HydrophobicContact CB-CG2 3.52Å; E121-V127 HydrophobicContact CG-CG2 3.6Å; S123-V127 PolarHBondContact O-N 2.89Å; L124-V127 PolarHBondContact O-N 3.46Å; V127-N129 VanDerWaalsContact C-N 3.31Å; V127-N129 PolarHBondContact O-N 2.94Å; V127-A130 PolarHBondContact O-N 2.82Å; V127-V131 HydrophobicContact CG1-CG2 4.23Å; V127-V131 WeakPolarHBondContact O-CB 3.18Å; V127-V131 VanDerWaalsContact O-CG2 3.32Å; V127-V131 WeakPolarHBondContact O-CG2 3.39Å; V127-V131 PolarHBondContact O-N 3.04Å; V127-I165 HydrophobicContact CG1-CG2 4.45Å; V127-I165 HydrophobicContact CG2-CD1 4.39Å; V127-I165 HydrophobicContact CG2-CG2 3.91Å; V127-Y188 HydrophobicContact CG1-CD1 3.86Å; V127-Y188 HydrophobicContact CG1-CD2 3.86Å; V127-Y188 HydrophobicContact CG1-CE1 3.93Å; V127-Y188 HydrophobicContact CG1-CE2 3.93Å; V127-Y188 HydrophobicContact CG1-CG 3.84Å; V127-Y188 HydrophobicContact CG2-CD1 4.4Å; V127-Y188 HydrophobicContact CG2-CE1 4.1Å; V127-F190 HydrophobicContact CG1-CE1 4.24Å; V127-F190 HydrophobicContact CG1-CZ 4.03Å
128V95.9Very high93.4Very high28 Ų2845.6 Ų45.617%0.1726%0.255CS..Hα-helixtrans-57.6-45.8176.3169.70000110.8L124 N132 W151L124-V128 HydrophobicContact CD1-CG2 3.9Å; L124-V128 HydrophobicContact CG-CG2 4.08Å; L124-V128 WeakPolarHBondContact O-CB 3.42Å; L124-V128 VanDerWaalsContact O-CG2 3.28Å; L124-V128 WeakPolarHBondContact O-CG2 3.33Å; L124-V128 PolarHBondContact O-N 3.01Å; V128-N132 WeakPolarHBondContact CG1-ND2 3.32Å; V128-N132 WeakPolarHBondContact O-CB 3.18Å; V128-N132 PolarHBondContact O-N 3.35Å; V128-N132 PolarHBondContact O-ND2 3.06Å; V128-N132 PolarHBondContact O-OD1 3.15Å; V128-W151 HydrophobicContact CB-CH2 4.27Å; V128-W151 HydrophobicContact CB-CZ2 4.03Å; V128-W151 HydrophobicContact CG1-CD2 4.49Å; V128-W151 HydrophobicContact CG1-CZ2 4.05Å; V128-W151 HydrophobicContact CG2-CD2 4.1Å; V128-W151 HydrophobicContact CG2-CE3 3.97Å; V128-W151 HydrophobicContact CG2-CH2 3.76Å; V128-W151 HydrophobicContact CG2-CZ2 3.88Å; V128-W151 HydrophobicContact CG2-CZ3 3.8Å
129N95.3Very high93.2Very high79 Ų7947 Ų4742%0.42226%0.263SS..Hα-helixtrans-65.2-45.3178.2-70.6-24.1000112N125 W126 V127 V131 N132 S133N125-N129 PolarHBondContact ND2-ND2 3.18Å; N125-N129 WeakPolarHBondContact O-CB 3.2Å; N125-N129 PolarHBondContact O-N 3.33Å; N125-N129 PolarHBondContact O-ND2 3.03Å; N125-N129 VanDerWaalsContact O-ND2 3.14Å; W126-N129 PolarHBondContact O-N 2.83Å; V127-N129 VanDerWaalsContact C-N 3.31Å; V127-N129 PolarHBondContact O-N 2.94Å; N129-V131 PolarHBondContact O-N 2.68Å; N129-N132 PolarHBondContact O-N 2.79Å; N129-S133 WeakPolarHBondContact O-CB 3.42Å; N129-S133 PolarHBondContact O-N 2.86Å; N129-S133 PolarHBondContact O-OG 2.79Å; N129-S133 VanDerWaalsContact O-OG 3.06Å
130A94.6Very high93Very high23 Ų2348.2 Ų48.219%0.1928%0.277CS..Hα-helixtrans-60.8-45.9179.300000112.4W126 V127 S134W126-A130 PolarHBondContact O-N 3.22Å; V127-A130 PolarHBondContact O-N 2.82Å; A130-S134 WeakPolarHBondContact O-CB 3.33Å; A130-S134 PolarHBondContact O-N 2.85Å; A130-S134 VanDerWaalsContact O-N 3.09Å; A130-S134 PolarHBondContact O-OG 3.22Å
131V95.2Very high92.8Very high0 Ų051.7 Ų51.70%030%0.296CS..Hα-helixtrans-64-48.8176.5167.50000110.8V127 N129 S133 S134 L135 W151 F186 Y188 F201V127-V131 HydrophobicContact CG1-CG2 4.23Å; V127-V131 WeakPolarHBondContact O-CB 3.18Å; V127-V131 VanDerWaalsContact O-CG2 3.32Å; V127-V131 WeakPolarHBondContact O-CG2 3.39Å; V127-V131 PolarHBondContact O-N 3.04Å; N129-V131 PolarHBondContact O-N 2.68Å; V131-S133 VanDerWaalsContact C-N 3.33Å; V131-S133 PolarHBondContact O-N 3.02Å; V131-S134 PolarHBondContact O-N 3.07Å; V131-L135 HydrophobicContact CG1-CD1 3.68Å; V131-L135 HydrophobicContact CG1-CG 4.44Å; V131-L135 WeakPolarHBondContact O-CB 3.28Å; V131-L135 PolarHBondContact O-N 2.99Å; V131-W151 HydrophobicContact CB-CH2 4.04Å; V131-W151 HydrophobicContact CB-CZ2 3.79Å; V131-W151 HydrophobicContact CG1-CH2 4.01Å; V131-W151 HydrophobicContact CG1-CZ2 3.6Å; V131-W151 HydrophobicContact CG2-CH2 4.21Å; V131-W151 HydrophobicContact CG2-CZ2 4.46Å; V131-F186 HydrophobicContact CB-CZ 4.38Å; V131-F186 HydrophobicContact CG1-CE1 4.48Å; V131-F186 HydrophobicContact CG1-CZ 3.98Å; V131-F186 HydrophobicContact CG2-CD2 4.43Å; V131-F186 HydrophobicContact CG2-CE1 4.25Å; V131-F186 HydrophobicContact CG2-CE2 4.04Å; V131-F186 HydrophobicContact CG2-CZ 3.92Å; V131-Y188 HydrophobicContact CG2-CD2 3.67Å; V131-Y188 HydrophobicContact CG2-CE2 3.49Å; V131-Y188 VanDerWaalsContact CG2-CE2 3.49Å; V131-F201 HydrophobicContact CG1-CE1 3.71Å; V131-F201 HydrophobicContact CG1-CZ 4.36Å
132N95.5Very high92.5Very high44 Ų4457.4 Ų57.424%0.23532%0.323CS..Hα-helixtrans-61-42.9-179.9-72.8-10.4000111.4V128 N129 F136 F143 W151V128-N132 WeakPolarHBondContact CG1-ND2 3.32Å; V128-N132 WeakPolarHBondContact O-CB 3.18Å; V128-N132 PolarHBondContact O-N 3.35Å; V128-N132 PolarHBondContact O-ND2 3.06Å; V128-N132 PolarHBondContact O-OD1 3.15Å; N129-N132 PolarHBondContact O-N 2.79Å; N132-F136 WeakPolarHBondContact O-CB 3.36Å; N132-F136 PolarHBondContact O-N 2.87Å; N132-F143 HydrophobicContact CB-CE1 3.97Å; N132-F143 HydrophobicContact CB-CZ 4.45Å; N132-F143 WeakPolarHBondContact OD1-CE1 3.31Å; N132-F143 VanDerWaalsContact OD1-CZ 3.31Å; N132-F143 WeakPolarHBondContact OD1-CZ 3.18Å; N132-W151 PolarHBondContact OD1-NE1 3.02Å
133S94.2Very high92.5Very high82 Ų8253.9 Ų53.957%0.57330%0.299SS*.Hα-helixtrans-62.6-42.6177.3-67.80000112.2N129 V131 S137N129-S133 WeakPolarHBondContact O-CB 3.42Å; N129-S133 PolarHBondContact O-N 2.86Å; N129-S133 PolarHBondContact O-OG 2.79Å; N129-S133 VanDerWaalsContact O-OG 3.06Å; V131-S133 VanDerWaalsContact C-N 3.33Å; V131-S133 PolarHBondContact O-N 3.02Å; S133-S137 WeakPolarHBondContact O-CB 3.35Å; S133-S137 PolarHBondContact O-N 3Å; S133-S137 VanDerWaalsContact O-N 3.09Å; S133-S137 PolarHBondContact O-OG 2.95Å
134S92.8Very high92.4Very high31 Ų3156.3 Ų56.322%0.21731%0.308CS..Hα-helixtrans-70-42-179.1-53.10000112.4A130 V131 S137 S138 W184A130-S134 WeakPolarHBondContact O-CB 3.33Å; A130-S134 PolarHBondContact O-N 2.85Å; A130-S134 VanDerWaalsContact O-N 3.09Å; A130-S134 PolarHBondContact O-OG 3.22Å; V131-S134 PolarHBondContact O-N 3.07Å; S134-S137 PolarHBondContact O-OG 3.3Å; S134-S138 PolarHBondContact O-N 2.54Å; S134-S138 PolarHBondContact O-OG 2.79Å; S134-W184 VanDerWaalsContact O-CZ2 3.27Å; S134-W184 WeakPolarHBondContact O-CZ2 3.35Å
135L92.3Very high92.3Very high0 Ų057 Ų570%032%0.316CS..Hα-helixtrans-73.7-42.1178.2-71.5172.7000111.7L16 I25 V131 S137 S138 V139 F143 L150 W184 F201L16-L135 HydrophobicContact CD2-CD1 4.25Å; L16-L135 HydrophobicContact CD2-CD2 4.17Å; I25-L135 HydrophobicContact CG2-CD2 4.37Å; V131-L135 HydrophobicContact CG1-CD1 3.68Å; V131-L135 HydrophobicContact CG1-CG 4.44Å; V131-L135 WeakPolarHBondContact O-CB 3.28Å; V131-L135 PolarHBondContact O-N 2.99Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 2.85Å; L135-S138 PolarHBondContact O-N 3.1Å; L135-S138 VanDerWaalsContact O-N 3.17Å; L135-V139 VanDerWaalsContact O-CB 3.26Å; L135-V139 WeakPolarHBondContact O-CB 3.24Å; L135-V139 WeakPolarHBondContact O-CG2 3.22Å; L135-V139 PolarHBondContact O-N 2.57Å; L135-F143 HydrophobicContact CB-CD2 3.78Å; L135-F143 HydrophobicContact CB-CE2 3.62Å; L135-F143 HydrophobicContact CB-CG 4.32Å; L135-F143 HydrophobicContact CB-CZ 4.01Å; L135-F143 HydrophobicContact CD1-CD2 4.35Å; L135-F143 HydrophobicContact CD1-CE2 3.54Å; L135-F143 HydrophobicContact CD1-CZ 4.04Å; L135-F143 HydrophobicContact CG-CE2 4.22Å; L135-L150 HydrophobicContact CD1-CD2 4.19Å; L135-W184 HydrophobicContact CD2-CH2 3.89Å; L135-F201 HydrophobicContact CD1-CZ 4.12Å
136F92.7Very high92.1Very high98 Ų9852.3 Ų52.343%0.4329%0.291SS..Hα-helixtrans-64.2-38.8178.5-173.4-94.4000112N132 S138 G140 F143N132-F136 WeakPolarHBondContact O-CB 3.36Å; N132-F136 PolarHBondContact O-N 2.87Å; F136-S138 PolarHBondContact O-N 2.96Å; F136-G140 VanDerWaalsContact O-CA 3.28Å; F136-G140 WeakPolarHBondContact O-CA 3.22Å; F136-G140 PolarHBondContact O-N 2.98Å; F136-F143 HydrophobicContact CB-CD1 4.09Å; F136-F143 HydrophobicContact CD2-CB 4.28Å; F136-F143 HydrophobicContact CD2-CD1 4.26Å
137S90.6Very high92.2Very high86 Ų8648.3 Ų48.360%0.60128%0.277SS*.Hα-helixtrans-63.6-26.9176.766.60000113S133 S134 L135S133-S137 WeakPolarHBondContact O-CB 3.35Å; S133-S137 PolarHBondContact O-N 3Å; S133-S137 VanDerWaalsContact O-N 3.09Å; S133-S137 PolarHBondContact O-OG 2.95Å; S134-S137 PolarHBondContact O-OG 3.3Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 2.85Å
138S88.7Confident92.2Very high16 Ų1652.2 Ų52.211%0.11230%0.303CS..Hα-helixtrans-101.2-36.2-174-50.80000113.1T20 S134 L135 F136 W184T20-S138 WeakPolarHBondContact CG2-O 3.35Å; T20-S138 PolarHBondContact OG1-O 3.33Å; S134-S138 PolarHBondContact O-N 2.54Å; S134-S138 PolarHBondContact O-OG 2.79Å; L135-S138 PolarHBondContact O-N 3.1Å; L135-S138 VanDerWaalsContact O-N 3.17Å; F136-S138 PolarHBondContact O-N 2.96Å; S138-W184 VanDerWaalsContact OG-CZ2 3.32Å; S138-W184 WeakPolarHBondContact OG-CZ2 3.26Å; S138-W184 PolarHBondContact OG-NE1 3.27Å
139V87.6Confident92.2Very high28 Ų2855.5 Ų55.517%0.1732%0.316CS..Hα-helixtrans-96-25.4-177.5-179.30000112.2V18 I25 L135 E142 F143V18-V139 HydrophobicContact CG2-CG2 4.22Å; I25-V139 HydrophobicContact CD1-CB 4.38Å; I25-V139 HydrophobicContact CD1-CG2 3.3Å; L135-V139 VanDerWaalsContact O-CB 3.26Å; L135-V139 WeakPolarHBondContact O-CB 3.24Å; L135-V139 WeakPolarHBondContact O-CG2 3.22Å; L135-V139 PolarHBondContact O-N 2.57Å; V139-E142 HydrophobicContact CG1-CB 3.8Å; V139-F143 HydrophobicContact CB-CB 4.26Å; V139-F143 HydrophobicContact CG1-CB 4.2Å
140G89.5Confident92.3Very high27 Ų2751.8 Ų51.828%0.27830%0.296SS..G310 helixtrans70.3-146.6-176.900000113.7F136 E142 F143F136-G140 VanDerWaalsContact O-CA 3.28Å; F136-G140 WeakPolarHBondContact O-CA 3.22Å; F136-G140 PolarHBondContact O-N 2.98Å; G140-E142 PolarHBondContact O-N 3.23Å; G140-F143 VanDerWaalsContact O-CB 3.32Å; G140-F143 WeakPolarHBondContact O-CB 3.37Å; G140-F143 PolarHBondContact O-N 2.86Å
141E89.4Confident92.4Very high159 Ų15952.2 Ų52.274%0.74329%0.293SS*.G310 helixtrans-62.2-25.2-172.1-64.9-173171.900114.2F143 N144E141-F143 PolarHBondContact O-N 2.88Å; E141-F143 VanDerWaalsContact O-N 3.15Å; E141-N144 VanDerWaalsContact O-CB 3.25Å; E141-N144 WeakPolarHBondContact O-CB 3.39Å; E141-N144 PolarHBondContact O-N 2.86Å; E141-N144 PolarHBondContact O-ND2 2.93Å
142E86.6Confident92.5Very high135 Ų13556.8 Ų56.863%0.63132%0.317SS*.G310 helixtrans-57.7-29175.5-67.3-59.8133.400111.8V139 G140 N144 S145 V146V139-E142 HydrophobicContact CG1-CB 3.8Å; G140-E142 PolarHBondContact O-N 3.23Å; E142-N144 PolarHBondContact O-N 2.82Å; E142-S145 PolarHBondContact O-N 2.98Å; E142-S145 PolarHBondContact O-OG 3.41Å; E142-V146 PolarHBondContact O-N 3.33Å
143F90.9Very high92.6Very high11 Ų1155.4 Ų55.45%0.04831%0.312CS..Hα-helixtrans-65.1-22.2176.3-172.3-108.2000113.2N132 L135 F136 V139 G140 E141 S145 V146 G147 L150N132-F143 HydrophobicContact CB-CE1 3.97Å; N132-F143 HydrophobicContact CB-CZ 4.45Å; N132-F143 WeakPolarHBondContact OD1-CE1 3.31Å; N132-F143 VanDerWaalsContact OD1-CZ 3.31Å; N132-F143 WeakPolarHBondContact OD1-CZ 3.18Å; L135-F143 HydrophobicContact CB-CD2 3.78Å; L135-F143 HydrophobicContact CB-CE2 3.62Å; L135-F143 HydrophobicContact CB-CG 4.32Å; L135-F143 HydrophobicContact CB-CZ 4.01Å; L135-F143 HydrophobicContact CD1-CD2 4.35Å; L135-F143 HydrophobicContact CD1-CE2 3.54Å; L135-F143 HydrophobicContact CD1-CZ 4.04Å; L135-F143 HydrophobicContact CG-CE2 4.22Å; F136-F143 HydrophobicContact CB-CD1 4.09Å; F136-F143 HydrophobicContact CD2-CB 4.28Å; F136-F143 HydrophobicContact CD2-CD1 4.26Å; V139-F143 HydrophobicContact CB-CB 4.26Å; V139-F143 HydrophobicContact CG1-CB 4.2Å; G140-F143 VanDerWaalsContact O-CB 3.32Å; G140-F143 WeakPolarHBondContact O-CB 3.37Å; G140-F143 PolarHBondContact O-N 2.86Å; E141-F143 PolarHBondContact O-N 2.88Å; E141-F143 VanDerWaalsContact O-N 3.15Å; F143-S145 PolarHBondContact O-N 3.44Å; F143-V146 HydrophobicContact CD2-CB 4.31Å; F143-V146 PolarHBondContact O-N 2.86Å; F143-G147 PolarHBondContact O-N 3.27Å; F143-L150 HydrophobicContact CE2-CD2 4.38Å
144N91.5Very high92.8Very high104 Ų10451.5 Ų51.556%0.55629%0.285SS*.Hα-helixtrans-61.9-27.3176.4-67.4-37000112.3E141 E142 P148E141-N144 VanDerWaalsContact O-CB 3.25Å; E141-N144 WeakPolarHBondContact O-CB 3.39Å; E141-N144 PolarHBondContact O-N 2.86Å; E141-N144 PolarHBondContact O-ND2 2.93Å; E142-N144 PolarHBondContact O-N 2.82Å; N144-P148 VanDerWaalsContact O-CD 3.26Å; N144-P148 WeakPolarHBondContact O-CD 3.12Å
145S91.1Very high93Very high51 Ų5152.9 Ų52.936%0.35729%0.29SS..Hα-helixtrans-86.6-43.2173.573.40000112.3R15 E142 F143R15-S145 PolarHBondContact NH2-OG 3.2Å; E142-S145 PolarHBondContact O-N 2.98Å; E142-S145 PolarHBondContact O-OG 3.41Å; F143-S145 PolarHBondContact O-N 3.44Å
146V91.9Very high93.2Very high8 Ų859.7 Ų59.75%0.04832%0.322CS..Hα-helixtrans-71.8-40.1-175.1-179.20000111.8L12 L16 E142 F143 E149 L150L12-V146 HydrophobicContact CD2-CG1 4.4Å; L16-V146 HydrophobicContact CD2-CG1 3.98Å; L16-V146 HydrophobicContact CG-CG1 4.46Å; E142-V146 PolarHBondContact O-N 3.33Å; F143-V146 HydrophobicContact CD2-CB 4.31Å; F143-V146 PolarHBondContact O-N 2.86Å; V146-E149 PolarHBondContact O-N 3.43Å; V146-L150 VanDerWaalsContact O-CB 3.24Å; V146-L150 WeakPolarHBondContact O-CB 3.23Å; V146-L150 PolarHBondContact O-N 3.25Å
147G94.4Very high93.4Very high4 Ų456.4 Ų56.44%0.04131%0.308CS..Hα-helixtrans-58-52.1-173.700000113.6F143 E149 L150 W151F143-G147 PolarHBondContact O-N 3.27Å; G147-E149 VanDerWaalsContact C-N 3.34Å; G147-E149 PolarHBondContact O-N 2.79Å; G147-L150 WeakPolarHBondContact O-CB 3.35Å; G147-L150 PolarHBondContact O-N 3.41Å; G147-W151 PolarHBondContact O-N 3.47Å
148P95.8Very high93.7Very high82 Ų8252.3 Ų52.353%0.53228%0.279SS..Hα-helixtrans-60.3-41.1176.3-25.735.3000113.3N144 N152N144-P148 VanDerWaalsContact O-CD 3.26Å; N144-P148 WeakPolarHBondContact O-CD 3.12Å; P148-N152 VanDerWaalsContact O-CB 3.24Å; P148-N152 WeakPolarHBondContact O-CB 3.21Å; P148-N152 PolarHBondContact O-N 3.13Å
149E95.8Very high94.1Very high98 Ų9855 Ų5546%0.45829%0.292SS..Hα-helixtrans-65.1-42.3177.9-68.4178.9-166.600111.7L12 R15 V146 G147 A153L12-E149 HydrophobicContact CD2-CB 4.27Å; R15-E149 IonicContact CZ-OE2 3.55Å; R15-E149 IonicContact NH1-OE2 2.78Å; R15-E149 PolarHBondContact NH1-OE2 2.58Å; V146-E149 PolarHBondContact O-N 3.43Å; G147-E149 VanDerWaalsContact C-N 3.34Å; G147-E149 PolarHBondContact O-N 2.79Å; E149-A153 VanDerWaalsContact O-CB 3.29Å; E149-A153 WeakPolarHBondContact O-CB 3.38Å; E149-A153 PolarHBondContact O-N 3.05Å
150L96.4Very high94.4Very high0 Ų054.2 Ų54.20%029%0.287CS..Hα-helixtrans-56.4-56.5175.5170.161.8000111.4L12 L16 I29 L135 F143 V146 G147 N152 A153 I154 F201L12-L150 HydrophobicContact CD1-CD1 4.46Å; L12-L150 HydrophobicContact CD2-CB 4.43Å; L16-L150 HydrophobicContact CD1-CD1 4.37Å; I29-L150 HydrophobicContact CD1-CD1 3.17Å; I29-L150 HydrophobicContact CG1-CD1 4.18Å; L135-L150 HydrophobicContact CD1-CD2 4.19Å; F143-L150 HydrophobicContact CE2-CD2 4.38Å; V146-L150 VanDerWaalsContact O-CB 3.24Å; V146-L150 WeakPolarHBondContact O-CB 3.23Å; V146-L150 PolarHBondContact O-N 3.25Å; G147-L150 WeakPolarHBondContact O-CB 3.35Å; G147-L150 PolarHBondContact O-N 3.41Å; L150-N152 VanDerWaalsContact C-N 3.35Å; L150-N152 PolarHBondContact O-N 3.44Å; L150-A153 PolarHBondContact O-N 3.48Å; L150-I154 HydrophobicContact CD1-CD1 3.71Å; L150-I154 HydrophobicContact CD1-CG1 4.32Å; L150-I154 HydrophobicContact CG-CD1 4.15Å; L150-I154 WeakPolarHBondContact O-CG1 3.46Å; L150-I154 PolarHBondContact O-N 2.76Å; L150-F201 HydrophobicContact CD1-CE1 4.27Å; L150-F201 HydrophobicContact CD1-CZ 4.33Å; L150-F201 HydrophobicContact CD2-CE1 3.89Å; L150-F201 HydrophobicContact CD2-CZ 3.97Å
151W97.4Very high94.6Very high33 Ų3360.5 Ų60.513%0.12531%0.309CS..Hα-helixtrans-67.4-36.7-176.9-67.7117.7000112.5V128 V131 N132 G147 I154 D155 L160 F190V128-W151 HydrophobicContact CB-CH2 4.27Å; V128-W151 HydrophobicContact CB-CZ2 4.03Å; V128-W151 HydrophobicContact CG1-CD2 4.49Å; V128-W151 HydrophobicContact CG1-CZ2 4.05Å; V128-W151 HydrophobicContact CG2-CD2 4.1Å; V128-W151 HydrophobicContact CG2-CE3 3.97Å; V128-W151 HydrophobicContact CG2-CH2 3.76Å; V128-W151 HydrophobicContact CG2-CZ2 3.88Å; V128-W151 HydrophobicContact CG2-CZ3 3.8Å; V131-W151 HydrophobicContact CB-CH2 4.04Å; V131-W151 HydrophobicContact CB-CZ2 3.79Å; V131-W151 HydrophobicContact CG1-CH2 4.01Å; V131-W151 HydrophobicContact CG1-CZ2 3.6Å; V131-W151 HydrophobicContact CG2-CH2 4.21Å; V131-W151 HydrophobicContact CG2-CZ2 4.46Å; N132-W151 PolarHBondContact OD1-NE1 3.02Å; G147-W151 PolarHBondContact O-N 3.47Å; W151-I154 HydrophobicContact CE3-CD1 4.13Å; W151-I154 HydrophobicContact CZ3-CD1 4.19Å; W151-I154 PolarHBondContact O-N 3.15Å; W151-D155 WeakPolarHBondContact O-CB 3.4Å; W151-D155 PolarHBondContact O-N 3.08Å; W151-L160 HydrophobicContact CE3-CD1 4.16Å; W151-F190 HydrophobicContact CH2-CZ 4.5Å; W151-F190 HydrophobicContact CZ3-CE1 4.47Å; W151-F190 HydrophobicContact CZ3-CZ 4.06Å
152N97.3Very high94.8Very high95 Ų9555.1 Ų55.151%0.50829%0.289SS..Hα-helixtrans-64.2-44.8174.4-177.352.7000111.4P148 L150 I154 D155 Q156P148-N152 VanDerWaalsContact O-CB 3.24Å; P148-N152 WeakPolarHBondContact O-CB 3.21Å; P148-N152 PolarHBondContact O-N 3.13Å; L150-N152 VanDerWaalsContact C-N 3.35Å; L150-N152 PolarHBondContact O-N 3.44Å; N152-I154 VanDerWaalsContact C-N 3.34Å; N152-I154 PolarHBondContact O-N 3.24Å; N152-D155 PolarHBondContact O-N 3.42Å; N152-Q156 VanDerWaalsContact O-CG 3.29Å; N152-Q156 WeakPolarHBondContact O-CG 3.21Å; N152-Q156 PolarHBondContact O-N 3.42Å
153A97.6Very high95.3Very high15 Ų1549.7 Ų49.712%0.12427%0.266CS..Hα-helixtrans-61.9-42.4178.300000111.9F9 L12 E149 L150 E157F9-A153 HydrophobicContact CD1-CB 4.34Å; F9-A153 HydrophobicContact CE1-CB 4.06Å; L12-A153 HydrophobicContact CD1-CB 3.48Å; L12-A153 VanDerWaalsContact CD1-CB 3.48Å; E149-A153 VanDerWaalsContact O-CB 3.29Å; E149-A153 WeakPolarHBondContact O-CB 3.38Å; E149-A153 PolarHBondContact O-N 3.05Å; L150-A153 PolarHBondContact O-N 3.48Å; A153-E157 PolarHBondContact O-N 3.4Å
154I97.6Very high95.5Very high0 Ų050.6 Ų50.60%027%0.271CS..Hα-helixtrans-64.1-47.1176.5-63168.4000110.1F9 I29 L150 W151 N152 Q156 E157 I158 L160 V199 F201F9-I154 HydrophobicContact CE1-CG1 4.21Å; F9-I154 HydrophobicContact CZ-CG1 4.3Å; I29-I154 HydrophobicContact CG2-CG1 4.38Å; L150-I154 HydrophobicContact CD1-CD1 3.71Å; L150-I154 HydrophobicContact CD1-CG1 4.32Å; L150-I154 HydrophobicContact CG-CD1 4.15Å; L150-I154 WeakPolarHBondContact O-CG1 3.46Å; L150-I154 PolarHBondContact O-N 2.76Å; W151-I154 HydrophobicContact CE3-CD1 4.13Å; W151-I154 HydrophobicContact CZ3-CD1 4.19Å; W151-I154 PolarHBondContact O-N 3.15Å; N152-I154 VanDerWaalsContact C-N 3.34Å; N152-I154 PolarHBondContact O-N 3.24Å; I154-Q156 VanDerWaalsContact C-N 3.34Å; I154-Q156 PolarHBondContact O-N 3.33Å; I154-E157 PolarHBondContact O-N 2.9Å; I154-E157 VanDerWaalsContact O-N 3.13Å; I154-I158 HydrophobicContact CG2-CG2 3.95Å; I154-I158 WeakPolarHBondContact O-CG2 3.46Å; I154-I158 PolarHBondContact O-N 2.78Å; I154-L160 HydrophobicContact CB-CD1 4.47Å; I154-L160 HydrophobicContact CG2-CD1 4.19Å; I154-L160 HydrophobicContact CG2-CD2 3.56Å; I154-L160 HydrophobicContact CG2-CG 3.99Å; I154-V199 HydrophobicContact CG2-CG1 4.27Å; I154-F201 HydrophobicContact CD1-CD1 4.35Å
155D97.4Very high95.7Very high60 Ų6046 Ų4632%0.32125%0.247SC..Hα-helixtrans-61.5-40.6-179.1-165.750.4000112.7W151 N152 E157 N159 L160W151-D155 WeakPolarHBondContact O-CB 3.4Å; W151-D155 PolarHBondContact O-N 3.08Å; N152-D155 PolarHBondContact O-N 3.42Å; D155-E157 VanDerWaalsContact C-N 3.3Å; D155-E157 PolarHBondContact O-N 3Å; D155-N159 VanDerWaalsContact O-CA 3.26Å; D155-N159 WeakPolarHBondContact O-CA 3.24Å; D155-N159 PolarHBondContact O-N 2.82Å; D155-L160 HydrophobicContact CB-CD1 3.93Å; D155-L160 HydrophobicContact CB-CG 4.22Å; D155-L160 WeakPolarHBondContact OD1-CB 3.32Å; D155-L160 PolarHBondContact OD1-N 2.88Å
156Q96.8Very high96Very high143 Ų14344 Ų4467%0.66823%0.231SC*.Hα-helixtrans-63.1-36175.2-68.4-55.8-37.400112.7N152 I154N152-Q156 VanDerWaalsContact O-CG 3.29Å; N152-Q156 WeakPolarHBondContact O-CG 3.21Å; N152-Q156 PolarHBondContact O-N 3.42Å; I154-Q156 VanDerWaalsContact C-N 3.34Å; I154-Q156 PolarHBondContact O-N 3.33Å
157E96.6Very high96.1Very high29 Ų2943.7 Ų43.714%0.13623%0.229CC..Hα-helixtrans-77.5-35.8-178.1-179.760.2-153.600112.9N6 F9 S31 A153 I154 D155 R197 V199N6-E157 PolarHBondContact ND2-OE2 2.99Å; F9-E157 HydrophobicContact CE1-CB 4.29Å; F9-E157 HydrophobicContact CE2-CB 4.33Å; F9-E157 HydrophobicContact CE2-CG 3.86Å; F9-E157 HydrophobicContact CZ-CB 3.67Å; F9-E157 HydrophobicContact CZ-CG 3.72Å; S31-E157 PolarHBondContact OG-OE1 2.75Å; A153-E157 PolarHBondContact O-N 3.4Å; I154-E157 PolarHBondContact O-N 2.9Å; I154-E157 VanDerWaalsContact O-N 3.13Å; D155-E157 VanDerWaalsContact C-N 3.3Å; D155-E157 PolarHBondContact O-N 3Å; E157-R197 VanDerWaalsContact CD-NH1 3.27Å; E157-R197 PolarHBondContact O-NH1 3.25Å; E157-R197 WeakPolarHBondContact OE1-CD 3.41Å; E157-R197 IonicContact OE1-CZ 3.74Å; E157-R197 IonicContact OE1-NE 2.95Å; E157-R197 IonicContact OE1-NH1 2.65Å; E157-R197 PolarHBondContact OE1-NH1 2.88Å; E157-R197 IonicContact OE1-NH2 3.8Å; E157-R197 IonicContact OE2-NH1 2.72Å; E157-V199 HydrophobicContact CB-CG2 4.45Å; E157-V199 HydrophobicContact CG-CG2 3.83Å
158I96.8Very high96.1Very high0 Ų043.7 Ų43.70%023%0.228CC..Hα-helixtrans-129-11.4-167.1-154.460.1000115.9I154 L160 F190 N192 L195 R197 V199I154-I158 HydrophobicContact CG2-CG2 3.95Å; I154-I158 WeakPolarHBondContact O-CG2 3.46Å; I154-I158 PolarHBondContact O-N 2.78Å; I158-L160 HydrophobicContact CG2-CD2 4.12Å; I158-L160 HydrophobicContact CG2-CG 4.38Å; I158-F190 HydrophobicContact CG2-CB 4.24Å; I158-N192 HydrophobicContact CD1-CB 3.68Å; I158-N192 HydrophobicContact CG1-CB 3.83Å; I158-N192 PolarHBondContact O-ND2 3.03Å; I158-L195 HydrophobicContact CD1-CD1 4.35Å; I158-R197 HydrophobicContact CD1-CB 3.5Å; I158-R197 VanDerWaalsContact CD1-CD 3.46Å; I158-R197 HydrophobicContact CD1-CG 3.44Å; I158-R197 VanDerWaalsContact CD1-CG 3.44Å; I158-V199 HydrophobicContact CB-CG2 3.74Å; I158-V199 HydrophobicContact CD1-CG2 4.27Å; I158-V199 HydrophobicContact CG1-CG2 4.05Å; I158-V199 HydrophobicContact CG2-CG2 4.21Å
159N96.7Very high95.7Very high74 Ų7441.8 Ų41.840%0.39621%0.213SC..  trans52.687.6-169.4-179.2-13.2000111D155 Q161 S162 C163D155-N159 VanDerWaalsContact O-CA 3.26Å; D155-N159 WeakPolarHBondContact O-CA 3.24Å; D155-N159 PolarHBondContact O-N 2.82Å; N159-Q161 PolarHBondContact O-N 3.29Å; N159-Q161 PolarHBondContact OD1-N 3.48Å; N159-S162 PolarHBondContact O-N 2.91Å; N159-C163 PolarHBondContact O-SG 3.01Å
160L94.8Very high94.9Very high11 Ų1138.4 Ų38.46%0.05820%0.2CC..G310 helixtrans-58.4-33.8-171.5-76.7169.8000112.7L124 W151 I154 D155 I158 S162 C163 F190L124-L160 HydrophobicContact CD1-CB 4.07Å; L124-L160 HydrophobicContact CD1-CD1 4.21Å; L124-L160 HydrophobicContact CD1-CD2 3.91Å; L124-L160 HydrophobicContact CD1-CG 4.3Å; L124-L160 HydrophobicContact CD2-CB 3.69Å; L124-L160 HydrophobicContact CD2-CD1 4.49Å; W151-L160 HydrophobicContact CE3-CD1 4.16Å; I154-L160 HydrophobicContact CB-CD1 4.47Å; I154-L160 HydrophobicContact CG2-CD1 4.19Å; I154-L160 HydrophobicContact CG2-CD2 3.56Å; I154-L160 HydrophobicContact CG2-CG 3.99Å; D155-L160 HydrophobicContact CB-CD1 3.93Å; D155-L160 HydrophobicContact CB-CG 4.22Å; D155-L160 WeakPolarHBondContact OD1-CB 3.32Å; D155-L160 PolarHBondContact OD1-N 2.88Å; I158-L160 HydrophobicContact CG2-CD2 4.12Å; I158-L160 HydrophobicContact CG2-CG 4.38Å; L160-S162 PolarHBondContact O-N 3.28Å; L160-C163 WeakPolarHBondContact O-CB 3.26Å; L160-C163 PolarHBondContact O-N 2.91Å; L160-F190 HydrophobicContact CD2-CB 4.48Å; L160-F190 HydrophobicContact CD2-CD1 3.38Å; L160-F190 HydrophobicContact CD2-CE1 3.73Å; L160-F190 HydrophobicContact CD2-CG 4Å
161Q94Very high93.7Very high158 Ų15842 Ų4274%0.73822%0.22SC*.G310 helixtrans-66.5-19.7179.4-64.6-64-1200113.6N159N159-Q161 PolarHBondContact O-N 3.29Å; N159-Q161 PolarHBondContact OD1-N 3.48Å
162S93.9Very high92.2Very high46 Ų4648.3 Ų48.332%0.32225%0.254SS..G310 helixtrans-102.811.9178.8-63.10000113.3N159 L160N159-S162 PolarHBondContact O-N 2.91Å; L160-S162 PolarHBondContact O-N 3.28Å
163C96.3Very high90.4Very high21 Ų2151.7 Ų51.714%0.14227%0.273CS..  trans-97.5141.3-176.2-67.50000112.7N159 L160 I165 F190 Y191N159-C163 PolarHBondContact O-SG 3.01Å; L160-C163 WeakPolarHBondContact O-CB 3.26Å; L160-C163 PolarHBondContact O-N 2.91Å; C163-I165 HydrophobicContact CB-CG1 4.47Å; C163-F190 HydrophobicContact CB-CB 4.42Å; C163-Y191 WeakPolarHBondContact CA-O 3.47Å
164D95.5Very high88.6Confident30 Ų3054 Ų5416%0.1629%0.288CS..EExtended strand (participates in β ladder)trans-84.8132.4154-71.6-62.9000107.6R120 Y166 Y191 K193R120-D164 IonicContact CZ-OD1 3.04Å; R120-D164 IonicContact NE-OD1 3.31Å; R120-D164 IonicContact NH2-OD1 2.68Å; R120-D164 PolarHBondContact NH2-OD1 3.32Å; D164-Y166 HydrophobicContact CB-CE2 3.62Å; D164-Y191 PolarHBondContact N-O 3.32Å; D164-Y191 PolarHBondContact O-N 3.3Å; D164-K193 WeakPolarHBondContact OD2-CE 3.19Å; D164-K193 IonicContact OD2-NZ 3.38Å; D164-K193 PolarHBondContact OD2-NZ 3.35Å
165I96.4Very high87.1Confident9 Ų956 Ų565%0.04630%0.298CS..EExtended strand (participates in β ladder)trans-109.9132.6-176.1-48.5169.6000109.3E121 L124 V127 C163 F189 F190E121-I165 HydrophobicContact CB-CB 4.04Å; E121-I165 HydrophobicContact CB-CG2 4.05Å; E121-I165 HydrophobicContact CG-CG2 4.06Å; E121-I165 PolarHBondContact N-O 2.82Å; L124-I165 HydrophobicContact CB-CD1 3.99Å; L124-I165 HydrophobicContact CD1-CD1 3.84Å; V127-I165 HydrophobicContact CG1-CG2 4.45Å; V127-I165 HydrophobicContact CG2-CD1 4.39Å; V127-I165 HydrophobicContact CG2-CG2 3.91Å; C163-I165 HydrophobicContact CB-CG1 4.47Å; I165-F189 VanDerWaalsContact CA-O 3.32Å; I165-F189 WeakPolarHBondContact CA-O 3.31Å; I165-F190 HydrophobicContact CD1-CD1 4.07Å; I165-F190 HydrophobicContact CD1-CE1 4.04Å; I165-F190 HydrophobicContact CG1-CD1 3.88Å; I165-F190 HydrophobicContact CG1-CE1 4.26Å; I165-F190 HydrophobicContact CG2-CD1 4.12Å; I165-F190 HydrophobicContact CG2-CE1 4.07Å
166Y96.3Very high85.3Confident7 Ų753.6 Ų53.63%0.02729%0.287CS..EExtended strand (participates in β ladder)trans-126.8155.8178.3-56.7-89000110.1L59 V88 T92 L96 S119 R120 D164 Y188 F189 Y191L59-Y166 HydrophobicContact CD1-CD1 4.12Å; L59-Y166 HydrophobicContact CD1-CE1 4.06Å; V88-Y166 HydrophobicContact CG2-CE1 4.27Å; T92-Y166 HydrophobicContact CG2-CE2 3.95Å; L96-Y166 HydrophobicContact CD1-CD1 4.16Å; L96-Y166 HydrophobicContact CD1-CD2 4.33Å; L96-Y166 HydrophobicContact CD1-CG 3.9Å; L96-Y166 HydrophobicContact CD2-CD2 4.1Å; L96-Y166 HydrophobicContact CD2-CG 4.32Å; S119-Y166 CarbonylContact O-C 3.41Å; S119-Y166 WeakPolarHBondContact O-CA 3.28Å; R120-Y166 HydrophobicContact CB-CD1 4.04Å; R120-Y166 HydrophobicContact CB-CE1 4.02Å; R120-Y166 HydrophobicContact CG-CD1 4.33Å; R120-Y166 HydrophobicContact CG-CE1 4.05Å; D164-Y166 HydrophobicContact CB-CE2 3.62Å; Y166-Y188 CarbonylContact O-C 3.59Å; Y166-Y188 WeakPolarHBondContact O-CA 3.32Å; Y166-F189 PolarHBondContact N-O 3Å; Y166-F189 PolarHBondContact O-N 3.39Å; Y166-Y191 HydrophobicContact CE2-CD1 4.34Å
167S95.2Very high83.5Confident2 Ų247.2 Ų47.21%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-121.2148.916853.40000110.7F118 S119 E121 N169 N187F118-S167 CarbonylContact C-O 3.57Å; F118-S167 VanDerWaalsContact CA-O 3.22Å; F118-S167 WeakPolarHBondContact CA-O 3.37Å; S119-S167 PolarHBondContact N-O 2.78Å; S119-S167 PolarHBondContact O-N 3.17Å; E121-S167 WeakPolarHBondContact OE1-CB 3.31Å; E121-S167 PolarHBondContact OE1-OG 3.17Å; S167-N169 PolarHBondContact OG-ND2 3.45Å; S167-N187 CarbonylContact C-O 3.55Å; S167-N187 VanDerWaalsContact CA-O 3.24Å; S167-N187 WeakPolarHBondContact CA-O 3.46Å
168Y93Very high81.7Confident5 Ų548.4 Ų48.42%0.0228%0.277CS..EExtended strand (participates in β ladder)trans-104.8118.3166.7176.8-114000109L100 F110 A113 E117 F118 P170 N187L100-Y168 HydrophobicContact CD1-CD1 3.87Å; L100-Y168 HydrophobicContact CD1-CD2 3.86Å; L100-Y168 HydrophobicContact CD1-CE1 4.12Å; L100-Y168 HydrophobicContact CD1-CE2 4.12Å; L100-Y168 HydrophobicContact CD1-CG 3.73Å; L100-Y168 HydrophobicContact CD2-CD1 4.12Å; L100-Y168 HydrophobicContact CD2-CG 4.43Å; F110-Y168 HydrophobicContact CD1-CE1 4.03Å; F110-Y168 AromaticContact CD1-CZ 3.94Å; F110-Y168 AromaticContact CE1-CE1 3.73Å; F110-Y168 HydrophobicContact CE1-CE1 3.73Å; A113-Y168 HydrophobicContact CB-CE2 4.37Å; E117-Y168 HydrophobicContact CB-CD2 4.07Å; E117-Y168 HydrophobicContact CB-CE2 3.6Å; E117-Y168 HydrophobicContact CG-CE2 4.48Å; E117-Y168 WeakPolarHBondContact O-CD2 3.18Å; E117-Y168 PolarHBondContact OE1-OH 2.92Å; F118-Y168 AromaticContact CD1-CD2 3.93Å; F118-Y168 HydrophobicContact CD1-CD2 3.93Å; F118-Y168 HydrophobicContact CD1-CG 4.47Å; F118-Y168 HydrophobicContact CD2-CD2 4.28Å; F118-Y168 AromaticContact CE1-CD2 3.51Å; F118-Y168 HydrophobicContact CE1-CD2 3.51Å; F118-Y168 HydrophobicContact CE1-CE2 4.44Å; F118-Y168 HydrophobicContact CE1-CG 4.03Å; F118-Y168 AromaticContact CE2-CD2 3.89Å; F118-Y168 HydrophobicContact CE2-CD2 3.89Å; F118-Y168 HydrophobicContact CE2-CE2 4.15Å; F118-Y168 HydrophobicContact CG-CD2 4.3Å; F118-Y168 AromaticContact CZ-CD2 3.49Å; F118-Y168 HydrophobicContact CZ-CD2 3.49Å; F118-Y168 VanDerWaalsContact CZ-CD2 3.49Å; F118-Y168 AromaticContact CZ-CE2 3.98Å; F118-Y168 HydrophobicContact CZ-CE2 3.98Å; F118-Y168 HydrophobicContact CZ-CG 4.35Å; Y168-P170 HydrophobicContact CD1-CG 4.48Å; Y168-P170 HydrophobicContact CE1-CB 3.9Å; Y168-P170 HydrophobicContact CE1-CG 3.94Å; Y168-N187 PolarHBondContact N-O 2.97Å
169N87.4Confident79.8Confident41 Ų4152.8 Ų52.822%0.21930%0.297CS..  trans-126.685.8-177-50.9-64.7000106.9Q63 E117 S119 S167Q63-N169 HydrophobicContact CG-CB 4.08Å; E117-N169 CarbonylContact O-C 3.48Å; E117-N169 PolarHBondContact O-N 2.88Å; S119-N169 PolarHBondContact OG-ND2 2.96Å; S167-N169 PolarHBondContact OG-ND2 3.45Å
170P80.5Confident78.1Confident27 Ų2757.6 Ų57.618%0.17532%0.317CS..  trans-62.5152.5-178.125-32.6000111.4Y168 D175Y168-P170 HydrophobicContact CD1-CG 4.48Å; Y168-P170 HydrophobicContact CE1-CB 3.9Å; Y168-P170 HydrophobicContact CE1-CG 3.94Å; P170-D175 HydrophobicContact CB-CB 3.99Å; P170-D175 HydrophobicContact CG-CB 3.67Å; P170-D175 VanDerWaalsContact CG-CG 3.45Å; P170-D175 WeakPolarHBondContact CG-OD1 3.44Å
171D70.8Confident76.9Confident77 Ų7758 Ų5841%0.41232%0.324SS..  trans-66.5152.1164.7-66.2-38.8000109.4H116 D173 S174 D175H116-D171 IonicContact CD2-OD2 3.97Å; H116-D171 IonicContact CE1-OD2 3.6Å; H116-D171 IonicContact NE2-OD2 3.98Å; H116-D171 PolarHBondContact NE2-OD2 3.49Å; D171-D173 PolarHBondContact O-N 2.81Å; D171-S174 CarbonylContact O-C 3.49Å; D171-S174 WeakPolarHBondContact O-CA 3.44Å; D171-S174 PolarHBondContact O-N 3.09Å; D171-D175 PolarHBondContact O-N 3.15Å
172L65.1Low76.4Confident164 Ų16452.5 Ų52.586%0.85930%0.303SS*.THydrogen-bonded Turntrans-53.1-32.7-176.7-71.2170.2000113.8S174L172-S174 VanDerWaalsContact C-N 3.34Å
173D60.6Low76Confident167 Ų16755.2 Ų55.289%0.89331%0.314SS*.THydrogen-bonded Turntrans-79.8-16.6179.4-60.8-35.6000113.3D171D171-D173 PolarHBondContact O-N 2.81Å
174S59.9Low75.7Confident64 Ų6456.5 Ų56.545%0.44832%0.316SS..THydrogen-bonded Turntrans-112.21.3-176.4-59.50000112.6D171 L172 P176D171-S174 CarbonylContact O-C 3.49Å; D171-S174 WeakPolarHBondContact O-CA 3.44Å; D171-S174 PolarHBondContact O-N 3.09Å; L172-S174 VanDerWaalsContact C-N 3.34Å; S174-P176 WeakPolarHBondContact O-CD 3.27Å
175D65.9Low75.4Confident40 Ų4057.4 Ų57.421%0.21432%0.324CS..  trans-76.7111.1-173.4-170.96.2000111.4P170 D171 F177 G178P170-D175 HydrophobicContact CB-CB 3.99Å; P170-D175 HydrophobicContact CG-CB 3.67Å; P170-D175 VanDerWaalsContact CG-CG 3.45Å; P170-D175 WeakPolarHBondContact CG-OD1 3.44Å; D171-D175 PolarHBondContact O-N 3.15Å; D175-F177 PolarHBondContact O-N 3.07Å; D175-F177 VanDerWaalsContact O-N 3.15Å; D175-F177 WeakPolarHBondContact OD1-CA 3.32Å; D175-F177 WeakPolarHBondContact OD1-CB 3.5Å; D175-F177 WeakPolarHBondContact OD1-CD2 3.4Å; D175-F177 PolarHBondContact OD1-N 3.18Å; D175-G178 VanDerWaalsContact CG-N 3.31Å; D175-G178 PolarHBondContact O-N 2.84Å; D175-G178 PolarHBondContact OD2-N 2.8Å
176P58.3Low75.3Confident11 Ų1157.6 Ų57.67%0.07133%0.325CS..THydrogen-bonded Turntrans-61.2-2017131.9-41.5000112.2Y108 F110 S174Y108-P176 HydrophobicContact CD1-CB 3.22Å; Y108-P176 HydrophobicContact CD2-CB 4.09Å; Y108-P176 VanDerWaalsContact CE1-CA 3.46Å; Y108-P176 HydrophobicContact CE1-CB 3.24Å; Y108-P176 HydrophobicContact CE2-CB 4.11Å; Y108-P176 HydrophobicContact CG-CB 3.67Å; Y108-P176 PolarHBondContact OH-O 2.7Å; F110-P176 HydrophobicContact CE1-CB 4.37Å; F110-P176 HydrophobicContact CE1-CG 3.74Å; F110-P176 HydrophobicContact CZ-CB 4.08Å; F110-P176 HydrophobicContact CZ-CG 3.75Å; S174-P176 WeakPolarHBondContact O-CD 3.27Å
177F59.7Low75.2Confident8 Ų857.4 Ų57.44%0.03532%0.324CS..THydrogen-bonded Turntrans-100.49.8177.1-48.9-68.6000113.3F104 D175 E179 N187F104-F177 HydrophobicContact CE1-CE1 4.03Å; F104-F177 AromaticContact CE1-CZ 3.61Å; F104-F177 HydrophobicContact CE1-CZ 3.61Å; F104-F177 HydrophobicContact CE2-CZ 4.33Å; F104-F177 HydrophobicContact CZ-CE1 4.37Å; F104-F177 HydrophobicContact CZ-CE2 4.36Å; F104-F177 AromaticContact CZ-CZ 3.51Å; F104-F177 HydrophobicContact CZ-CZ 3.51Å; D175-F177 PolarHBondContact O-N 3.07Å; D175-F177 VanDerWaalsContact O-N 3.15Å; D175-F177 WeakPolarHBondContact OD1-CA 3.32Å; D175-F177 WeakPolarHBondContact OD1-CB 3.5Å; D175-F177 WeakPolarHBondContact OD1-CD2 3.4Å; D175-F177 PolarHBondContact OD1-N 3.18Å; F177-E179 PolarHBondContact O-N 3.44Å; F177-N187 WeakPolarHBondContact CE2-ND2 3.49Å
178G58.1Low75.3Confident55 Ų5558.1 Ų58.157%0.56733%0.327SS*.  trans-63.97.5169.300000113.6D175 E180D175-G178 VanDerWaalsContact CG-N 3.31Å; D175-G178 PolarHBondContact O-N 2.84Å; D175-G178 PolarHBondContact OD2-N 2.8Å; G178-E180 PolarHBondContact O-N 3.42Å
179E57.5Low75.5Confident91 Ų9157.9 Ų57.943%0.42533%0.326SS..SBendtrans-49.2131166.7-69.8-177.1171.600110.6F177 G181 S182 R204F177-E179 PolarHBondContact O-N 3.44Å; E179-G181 PolarHBondContact O-N 2.9Å; E179-G181 VanDerWaalsContact O-N 3.08Å; E179-S182 PolarHBondContact O-N 3.48Å; E179-R204 IonicContact OE2-CZ 2.86Å; E179-R204 VanDerWaalsContact OE2-CZ 3.31Å; E179-R204 IonicContact OE2-NH1 3.04Å; E179-R204 PolarHBondContact OE2-NH1 3.33Å; E179-R204 IonicContact OE2-NH2 3.95Å; E179-R204 PolarHBondContact OE2-NH2 3.24Å
180E60.3Low76Confident175 Ų17556 Ų5682%0.81832%0.315SS*.THydrogen-bonded Turntrans-51.9117.6174.6-71.5179.6165.400110.1G178 S210G178-E180 PolarHBondContact O-N 3.42Å; E180-S210 WeakPolarHBondContact O-CB 3.19Å
181G70.8Confident76.9Confident20 Ų2055.4 Ų55.421%0.20631%0.31CS..THydrogen-bonded Turntrans1100.117500000116.6E179 L183 V206 S207 S210E179-G181 PolarHBondContact O-N 2.9Å; E179-G181 VanDerWaalsContact O-N 3.08Å; G181-L183 PolarHBondContact O-N 3.38Å; G181-L183 VanDerWaalsContact O-N 3.15Å; G181-V206 CarbonylContact O-C 3.49Å; G181-V206 VanDerWaalsContact O-CA 3.31Å; G181-V206 WeakPolarHBondContact O-CA 3.11Å; G181-S207 PolarHBondContact O-N 2.92Å; G181-S210 WeakPolarHBondContact CA-OG 3.39Å
182S82.3Confident78.1Confident42 Ų4252 Ų5229%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-60.9116.2169.1-170.50000110.6E179E179-S182 PolarHBondContact O-N 3.48Å
183L86.6Confident79.4Confident104 Ų10449.3 Ų49.355%0.54527%0.273SS..EExtended strand (participates in β ladder)trans-81.6-41.9176.6-63.7178.1000110.8G181 S205G181-L183 PolarHBondContact O-N 3.38Å; G181-L183 VanDerWaalsContact O-N 3.15Å; L183-S205 PolarHBondContact N-O 3.27Å
184W88.8Confident81Confident48 Ų4849.9 Ų49.918%0.18227%0.268CS..EExtended strand (participates in β ladder)trans-159.6152.217357.3-97.6000109I25 S134 L135 S138 F186 C203 R204 S205I25-W184 HydrophobicContact CG2-CH2 4.49Å; S134-W184 VanDerWaalsContact O-CZ2 3.27Å; S134-W184 WeakPolarHBondContact O-CZ2 3.35Å; L135-W184 HydrophobicContact CD2-CH2 3.89Å; S138-W184 VanDerWaalsContact OG-CZ2 3.32Å; S138-W184 WeakPolarHBondContact OG-CZ2 3.26Å; S138-W184 PolarHBondContact OG-NE1 3.27Å; W184-F186 AromaticContact CE3-CD1 3.93Å; W184-F186 HydrophobicContact CE3-CD1 3.93Å; W184-F186 HydrophobicContact CE3-CE1 4.18Å; W184-F186 HydrophobicContact CH2-CE1 4.07Å; W184-F186 AromaticContact CZ3-CD1 3.58Å; W184-F186 HydrophobicContact CZ3-CD1 3.58Å; W184-F186 AromaticContact CZ3-CE1 3.4Å; W184-F186 HydrophobicContact CZ3-CE1 3.4Å; W184-F186 VanDerWaalsContact CZ3-CE1 3.4Å; W184-F186 HydrophobicContact CZ3-CZ 4.39Å; W184-C203 HydrophobicContact CH2-CB 4.25Å; W184-C203 VanDerWaalsContact CH2-SG 3.54Å; W184-C203 HydrophobicContact CZ3-CB 3.94Å; W184-R204 CarbonylContact O-C 3.59Å; W184-R204 WeakPolarHBondContact O-CA 3.36Å; W184-S205 VanDerWaalsContact NE1-CB 3.25Å; W184-S205 PolarHBondContact O-N 3.17Å
185S90.8Very high82.7Confident48 Ų4851 Ų5134%0.33627%0.268SS..EExtended strand (participates in β ladder)trans-143.9153.9171.362.50000109.8C203S185-C203 CarbonylContact C-O 3.58Å; S185-C203 VanDerWaalsContact CA-O 3.28Å; S185-C203 WeakPolarHBondContact CA-O 3.41Å
186F93.2Very high84.1Confident13 Ų1354.6 Ų54.66%0.05728%0.282CS..EExtended strand (participates in β ladder)trans-144.9151.2168.262-108.3000110.4V131 W184 Y188 F201 T202 C203V131-F186 HydrophobicContact CB-CZ 4.38Å; V131-F186 HydrophobicContact CG1-CE1 4.48Å; V131-F186 HydrophobicContact CG1-CZ 3.98Å; V131-F186 HydrophobicContact CG2-CD2 4.43Å; V131-F186 HydrophobicContact CG2-CE1 4.25Å; V131-F186 HydrophobicContact CG2-CE2 4.04Å; V131-F186 HydrophobicContact CG2-CZ 3.92Å; W184-F186 AromaticContact CE3-CD1 3.93Å; W184-F186 HydrophobicContact CE3-CD1 3.93Å; W184-F186 HydrophobicContact CE3-CE1 4.18Å; W184-F186 HydrophobicContact CH2-CE1 4.07Å; W184-F186 AromaticContact CZ3-CD1 3.58Å; W184-F186 HydrophobicContact CZ3-CD1 3.58Å; W184-F186 AromaticContact CZ3-CE1 3.4Å; W184-F186 HydrophobicContact CZ3-CE1 3.4Å; W184-F186 VanDerWaalsContact CZ3-CE1 3.4Å; W184-F186 HydrophobicContact CZ3-CZ 4.39Å; F186-Y188 HydrophobicContact CB-CD2 4.1Å; F186-Y188 HydrophobicContact CB-CE2 3.71Å; F186-Y188 HydrophobicContact CD1-CE2 4.48Å; F186-Y188 AromaticContact CD2-CD2 3.42Å; F186-Y188 HydrophobicContact CD2-CD2 3.42Å; F186-Y188 VanDerWaalsContact CD2-CD2 3.42Å; F186-Y188 AromaticContact CD2-CE2 3.73Å; F186-Y188 HydrophobicContact CD2-CE2 3.73Å; F186-Y188 HydrophobicContact CD2-CG 4.49Å; F186-Y188 HydrophobicContact CE2-CD2 4.04Å; F186-Y188 HydrophobicContact CE2-CE2 4.47Å; F186-Y188 AromaticContact CG-CD2 3.94Å; F186-Y188 HydrophobicContact CG-CD2 3.94Å; F186-Y188 AromaticContact CG-CE2 3.74Å; F186-Y188 HydrophobicContact CG-CE2 3.74Å; F186-F201 AromaticContact CE2-CD1 4Å; F186-F201 HydrophobicContact CE2-CD1 4Å; F186-F201 HydrophobicContact CE2-CD2 4.1Å; F186-F201 AromaticContact CE2-CE1 3.98Å; F186-F201 HydrophobicContact CE2-CE1 3.98Å; F186-F201 HydrophobicContact CE2-CE2 4.07Å; F186-F201 HydrophobicContact CE2-CG 4.07Å; F186-F201 HydrophobicContact CE2-CZ 4.02Å; F186-F201 HydrophobicContact CZ-CE1 4.06Å; F186-F201 HydrophobicContact CZ-CE2 4.25Å; F186-F201 AromaticContact CZ-CZ 3.91Å; F186-F201 HydrophobicContact CZ-CZ 3.91Å; F186-T202 WeakPolarHBondContact O-CA 3.09Å; F186-C203 HydrophobicContact CD1-CB 4.35Å; F186-C203 HydrophobicContact CD2-CB 4.24Å; F186-C203 HydrophobicContact CE1-CB 3.71Å; F186-C203 HydrophobicContact CE2-CB 3.56Å; F186-C203 HydrophobicContact CZ-CB 3.26Å; F186-C203 PolarHBondContact N-O 2.85Å; F186-C203 PolarHBondContact O-N 2.75Å
187N94.9Very high85.9Confident3 Ų357.3 Ų57.32%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-137.292.5179.7-61.3-71.6000108.7S167 Y168 F177 F200 T202S167-N187 CarbonylContact C-O 3.55Å; S167-N187 VanDerWaalsContact CA-O 3.24Å; S167-N187 WeakPolarHBondContact CA-O 3.46Å; Y168-N187 PolarHBondContact N-O 2.97Å; F177-N187 WeakPolarHBondContact CE2-ND2 3.49Å; N187-F200 HydrophobicContact CB-CE2 4.03Å; N187-F200 HydrophobicContact CB-CZ 4.17Å; N187-T202 WeakPolarHBondContact OD1-CB 3.46Å; N187-T202 PolarHBondContact OD1-OG1 2.79Å
188Y97.4Very high87.7Confident18 Ų1856.9 Ų56.97%0.07129%0.289CS..EExtended strand (participates in β ladder)trans-101.2140.3-177.1-70.8-63000112.5E121 V127 V131 Y166 F186 F200 F201E121-Y188 HydrophobicContact CG-CD1 4.18Å; E121-Y188 HydrophobicContact CG-CE1 3.9Å; V127-Y188 HydrophobicContact CG1-CD1 3.86Å; V127-Y188 HydrophobicContact CG1-CD2 3.86Å; V127-Y188 HydrophobicContact CG1-CE1 3.93Å; V127-Y188 HydrophobicContact CG1-CE2 3.93Å; V127-Y188 HydrophobicContact CG1-CG 3.84Å; V127-Y188 HydrophobicContact CG2-CD1 4.4Å; V127-Y188 HydrophobicContact CG2-CE1 4.1Å; V131-Y188 HydrophobicContact CG2-CD2 3.67Å; V131-Y188 HydrophobicContact CG2-CE2 3.49Å; V131-Y188 VanDerWaalsContact CG2-CE2 3.49Å; Y166-Y188 CarbonylContact O-C 3.59Å; Y166-Y188 WeakPolarHBondContact O-CA 3.32Å; F186-Y188 HydrophobicContact CB-CD2 4.1Å; F186-Y188 HydrophobicContact CB-CE2 3.71Å; F186-Y188 HydrophobicContact CD1-CE2 4.48Å; F186-Y188 AromaticContact CD2-CD2 3.42Å; F186-Y188 HydrophobicContact CD2-CD2 3.42Å; F186-Y188 VanDerWaalsContact CD2-CD2 3.42Å; F186-Y188 AromaticContact CD2-CE2 3.73Å; F186-Y188 HydrophobicContact CD2-CE2 3.73Å; F186-Y188 HydrophobicContact CD2-CG 4.49Å; F186-Y188 HydrophobicContact CE2-CD2 4.04Å; F186-Y188 HydrophobicContact CE2-CE2 4.47Å; F186-Y188 AromaticContact CG-CD2 3.94Å; F186-Y188 HydrophobicContact CG-CD2 3.94Å; F186-Y188 AromaticContact CG-CE2 3.74Å; F186-Y188 HydrophobicContact CG-CE2 3.74Å; Y188-F200 WeakPolarHBondContact O-CD2 3.43Å; Y188-F201 PolarHBondContact N-O 3.46Å; Y188-F201 PolarHBondContact O-N 3.19Å
189F97.9Very high89.6Confident0 Ų054.3 Ų54.30%026%0.262CS..EExtended strand (participates in β ladder)trans-118.3118.7175.2-51.5-102.5000109.4L96 T99 L100 F118 I165 Y166 I198 F200L96-F189 HydrophobicContact CB-CE1 4.45Å; L96-F189 HydrophobicContact CD2-CB 3.67Å; L96-F189 HydrophobicContact CD2-CD1 3.75Å; L96-F189 HydrophobicContact CD2-CD2 4.14Å; L96-F189 HydrophobicContact CD2-CE1 4.41Å; L96-F189 HydrophobicContact CD2-CG 3.59Å; T99-F189 HydrophobicContact CG2-CD1 4.2Å; T99-F189 HydrophobicContact CG2-CE1 4.11Å; L100-F189 HydrophobicContact CD1-CZ 4.15Å; L100-F189 HydrophobicContact CD2-CE1 4.25Å; L100-F189 HydrophobicContact CD2-CZ 3.64Å; L100-F189 HydrophobicContact CG-CE1 4.08Å; L100-F189 HydrophobicContact CG-CZ 3.65Å; F118-F189 HydrophobicContact CD1-CE2 4.4Å; F118-F189 HydrophobicContact CE1-CE2 4.19Å; F118-F189 HydrophobicContact CE1-CZ 4.2Å; I165-F189 VanDerWaalsContact CA-O 3.32Å; I165-F189 WeakPolarHBondContact CA-O 3.31Å; Y166-F189 PolarHBondContact N-O 3Å; Y166-F189 PolarHBondContact O-N 3.39Å; F189-I198 HydrophobicContact CB-CG2 4.2Å; F189-I198 HydrophobicContact CD1-CG2 4.11Å; F189-F200 AromaticContact CD1-CD2 3.5Å; F189-F200 HydrophobicContact CD1-CD2 3.5Å; F189-F200 VanDerWaalsContact CD1-CD2 3.5Å; F189-F200 HydrophobicContact CD1-CE2 4.03Å; F189-F200 HydrophobicContact CD1-CG 4.37Å; F189-F200 HydrophobicContact CD2-CD2 4.4Å; F189-F200 HydrophobicContact CD2-CE2 4.39Å; F189-F200 AromaticContact CE1-CD2 3.37Å; F189-F200 HydrophobicContact CE1-CD2 3.37Å; F189-F200 AromaticContact CE1-CE2 3.49Å; F189-F200 HydrophobicContact CE1-CE2 3.49Å; F189-F200 VanDerWaalsContact CE1-CE2 3.49Å; F189-F200 HydrophobicContact CE1-CG 4.27Å; F189-F200 HydrophobicContact CE1-CZ 4.45Å; F189-F200 HydrophobicContact CE2-CD2 4.28Å; F189-F200 AromaticContact CE2-CE2 3.88Å; F189-F200 HydrophobicContact CE2-CE2 3.88Å; F189-F200 HydrophobicContact CG-CD2 4.02Å; F189-F200 HydrophobicContact CG-CE2 4.44Å; F189-F200 AromaticContact CZ-CD2 3.79Å; F189-F200 HydrophobicContact CZ-CD2 3.79Å; F189-F200 AromaticContact CZ-CE2 3.41Å; F189-F200 HydrophobicContact CZ-CE2 3.41Å; F189-F200 VanDerWaalsContact CZ-CE2 3.41Å; F189-F200 HydrophobicContact CZ-CZ 4.31Å
190F97.9Very high91.5Very high0 Ų050 Ų500%024%0.242CC..EExtended strand (participates in β ladder)trans-9899.5172-56.3-89000108.5L124 V127 W151 I158 L160 C163 I165 I198 V199 F201L124-F190 HydrophobicContact CD1-CE1 4.27Å; V127-F190 HydrophobicContact CG1-CE1 4.24Å; V127-F190 HydrophobicContact CG1-CZ 4.03Å; W151-F190 HydrophobicContact CH2-CZ 4.5Å; W151-F190 HydrophobicContact CZ3-CE1 4.47Å; W151-F190 HydrophobicContact CZ3-CZ 4.06Å; I158-F190 HydrophobicContact CG2-CB 4.24Å; L160-F190 HydrophobicContact CD2-CB 4.48Å; L160-F190 HydrophobicContact CD2-CD1 3.38Å; L160-F190 HydrophobicContact CD2-CE1 3.73Å; L160-F190 HydrophobicContact CD2-CG 4Å; C163-F190 HydrophobicContact CB-CB 4.42Å; I165-F190 HydrophobicContact CD1-CD1 4.07Å; I165-F190 HydrophobicContact CD1-CE1 4.04Å; I165-F190 HydrophobicContact CG1-CD1 3.88Å; I165-F190 HydrophobicContact CG1-CE1 4.26Å; I165-F190 HydrophobicContact CG2-CD1 4.12Å; I165-F190 HydrophobicContact CG2-CE1 4.07Å; F190-I198 WeakPolarHBondContact O-CA 3.41Å; F190-V199 HydrophobicContact CB-CB 4.29Å; F190-V199 HydrophobicContact CD2-CB 4.41Å; F190-V199 HydrophobicContact CD2-CG1 4.33Å; F190-V199 PolarHBondContact N-O 3.16Å; F190-V199 PolarHBondContact O-N 3.3Å; F190-F201 HydrophobicContact CE2-CB 4.11Å
191Y97.5Very high93.3Very high16 Ų1641.6 Ų41.66%0.06320%0.203CC..EExtended strand (participates in β ladder)trans-100112.3-175.1178.9-145.8000112T92 Y95 C163 D164 Y166 K193 R197 I198T92-Y191 HydrophobicContact CG2-CD1 3.99Å; T92-Y191 HydrophobicContact CG2-CE1 4.12Å; Y95-Y191 HydrophobicContact CD2-CE1 4.45Å; Y95-Y191 HydrophobicContact CD2-CE2 4.41Å; Y95-Y191 AromaticContact CD2-CZ 3.94Å; Y95-Y191 WeakPolarHBondContact CE2-OH 3.04Å; C163-Y191 WeakPolarHBondContact CA-O 3.47Å; D164-Y191 PolarHBondContact N-O 3.32Å; D164-Y191 PolarHBondContact O-N 3.3Å; Y166-Y191 HydrophobicContact CE2-CD1 4.34Å; Y191-K193 HydrophobicContact CD1-CG 4.01Å; Y191-K193 HydrophobicContact CE1-CD 4.35Å; Y191-K193 HydrophobicContact CE1-CG 3.45Å; Y191-K193 VanDerWaalsContact CE1-CG 3.45Å; Y191-K193 HydrophobicContact CE2-CG 4.35Å; Y191-R197 WeakPolarHBondContact CD2-O 3.37Å; Y191-I198 HydrophobicContact CD2-CD1 4.16Å; Y191-I198 HydrophobicContact CD2-CG1 3.51Å; Y191-I198 HydrophobicContact CE2-CG1 4.33Å; Y191-I198 HydrophobicContact CG-CD1 4.45Å; Y191-I198 HydrophobicContact CG-CG1 3.98Å
192N96.5Very high94.4Very high5 Ų541 Ų413%0.02720%0.195CC..EExtended strand (participates in β ladder)trans-98.5103.7170.6-170.3-39.4000110.9I158 K194 L195 K196 R197I158-N192 HydrophobicContact CD1-CB 3.68Å; I158-N192 HydrophobicContact CG1-CB 3.83Å; I158-N192 PolarHBondContact O-ND2 3.03Å; N192-K194 VanDerWaalsContact C-N 3.28Å; N192-K194 PolarHBondContact O-N 2.88Å; N192-K194 WeakPolarHBondContact OD1-CB 3.39Å; N192-K194 PolarHBondContact OD1-N 3.28Å; N192-L195 HydrophobicContact CB-CB 4.19Å; N192-L195 HydrophobicContact CB-CD1 4.3Å; N192-L195 HydrophobicContact CB-CG 4.38Å; N192-L195 PolarHBondContact O-N 3.18Å; N192-L195 PolarHBondContact OD1-N 3.42Å; N192-L195 VanDerWaalsContact OD1-N 3.11Å; N192-K196 PolarHBondContact O-N 3.19Å; N192-R197 PolarHBondContact N-O 3.25Å; N192-R197 PolarHBondContact O-N 3.2Å
193K93.3Very high95Very high107 Ų10739 Ų3947%0.46518%0.181SC..THydrogen-bonded Turntrans-59.8-32.9179.5-72.6169.2176.9159.40113.5D164 Y191D164-K193 WeakPolarHBondContact OD2-CE 3.19Å; D164-K193 IonicContact OD2-NZ 3.38Å; D164-K193 PolarHBondContact OD2-NZ 3.35Å; Y191-K193 HydrophobicContact CD1-CG 4.01Å; Y191-K193 HydrophobicContact CE1-CD 4.35Å; Y191-K193 HydrophobicContact CE1-CG 3.45Å; Y191-K193 VanDerWaalsContact CE1-CG 3.45Å; Y191-K193 HydrophobicContact CE2-CG 4.35Å
194K94.1Very high95.2Very high180 Ų18036.1 Ų36.178%0.78316%0.163SC*.THydrogen-bonded Turntrans-71.9-42.5-179.4-63176.9-177.4169.30110.9N192 K196N192-K194 VanDerWaalsContact C-N 3.28Å; N192-K194 PolarHBondContact O-N 2.88Å; N192-K194 WeakPolarHBondContact OD1-CB 3.39Å; N192-K194 PolarHBondContact OD1-N 3.28Å; K194-K196 VanDerWaalsContact C-N 3.31Å
195L94.8Very high95.2Very high86 Ų8633.8 Ų33.845%0.4515%0.154SC..THydrogen-bonded Turntrans-78.2-16.9177.1-62.7179.3000112.9I158 N192 R197I158-L195 HydrophobicContact CD1-CD1 4.35Å; N192-L195 HydrophobicContact CB-CB 4.19Å; N192-L195 HydrophobicContact CB-CD1 4.3Å; N192-L195 HydrophobicContact CB-CG 4.38Å; N192-L195 PolarHBondContact O-N 3.18Å; N192-L195 PolarHBondContact OD1-N 3.42Å; N192-L195 VanDerWaalsContact OD1-N 3.11Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 HydrophobicContact CB-CB 3.96Å
196K94.8Very high95.2Very high116 Ų11632.7 Ų32.750%0.50415%0.145SC..THydrogen-bonded Turntrans52.451.3-169.6-59.2179-179.5175.60110C34 N192 K194C34-K196 HydrophobicContact CB-CB 4.26Å; C34-K196 WeakPolarHBondContact CB-O 3.45Å; C34-K196 PolarHBondContact N-O 2.81Å; N192-K196 PolarHBondContact O-N 3.19Å; K194-K196 VanDerWaalsContact C-N 3.31Å
197R96.7Very high94.9Very high68 Ų6833.2 Ų33.226%0.25715%0.151SC..EExtended strand (participates in β ladder)trans-138.5142.6-173.3-175-174.9-70.4-171.8-13.8109.5L4 S31 Y32 E157 I158 Y191 N192 L195L4-R197 HydrophobicContact CD1-CG 4.24Å; S31-R197 WeakPolarHBondContact OG-CD 3.41Å; Y32-R197 CarbonylContact O-C 3.3Å; Y32-R197 VanDerWaalsContact O-CA 3.24Å; Y32-R197 WeakPolarHBondContact O-CA 3.32Å; Y32-R197 WeakPolarHBondContact O-CG 3.4Å; E157-R197 VanDerWaalsContact CD-NH1 3.27Å; E157-R197 PolarHBondContact O-NH1 3.25Å; E157-R197 WeakPolarHBondContact OE1-CD 3.41Å; E157-R197 IonicContact OE1-CZ 3.74Å; E157-R197 IonicContact OE1-NE 2.95Å; E157-R197 IonicContact OE1-NH1 2.65Å; E157-R197 PolarHBondContact OE1-NH1 2.88Å; E157-R197 IonicContact OE1-NH2 3.8Å; E157-R197 IonicContact OE2-NH1 2.72Å; I158-R197 HydrophobicContact CD1-CB 3.5Å; I158-R197 VanDerWaalsContact CD1-CD 3.46Å; I158-R197 HydrophobicContact CD1-CG 3.44Å; I158-R197 VanDerWaalsContact CD1-CG 3.44Å; Y191-R197 WeakPolarHBondContact CD2-O 3.37Å; N192-R197 PolarHBondContact N-O 3.25Å; N192-R197 PolarHBondContact O-N 3.2Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 HydrophobicContact CB-CB 3.96Å
198I97.9Very high94.3Very high0 Ų035.2 Ų35.20%016%0.163CC..EExtended strand (participates in β ladder)trans-119.7128.6172-72.6169000107.2Y32 L96 T99 F189 F190 Y191Y32-I198 PolarHBondContact N-O 3.19Å; Y32-I198 PolarHBondContact O-N 2.95Å; L96-I198 HydrophobicContact CD2-CD1 4.42Å; T99-I198 HydrophobicContact CG2-CG2 4.09Å; F189-I198 HydrophobicContact CB-CG2 4.2Å; F189-I198 HydrophobicContact CD1-CG2 4.11Å; F190-I198 WeakPolarHBondContact O-CA 3.41Å; Y191-I198 HydrophobicContact CD2-CD1 4.16Å; Y191-I198 HydrophobicContact CD2-CG1 3.51Å; Y191-I198 HydrophobicContact CE2-CG1 4.33Å; Y191-I198 HydrophobicContact CG-CD1 4.45Å; Y191-I198 HydrophobicContact CG-CG1 3.98Å
199V98.3Very high93.1Very high0 Ų040.1 Ų40.10%019%0.19CC..EExtended strand (participates in β ladder)trans-93.8123.5159.1171.80000107.3F9 I29 E30 I154 E157 I158 F190F9-V199 HydrophobicContact CE2-CG1 3.84Å; F9-V199 HydrophobicContact CE2-CG2 3.95Å; F9-V199 HydrophobicContact CZ-CG1 3.95Å; F9-V199 HydrophobicContact CZ-CG2 4.07Å; I29-V199 HydrophobicContact CG2-CG1 3.94Å; E30-V199 CarbonylContact O-C 3.55Å; E30-V199 VanDerWaalsContact O-CA 3.29Å; E30-V199 WeakPolarHBondContact O-CA 3.28Å; I154-V199 HydrophobicContact CG2-CG1 4.27Å; E157-V199 HydrophobicContact CB-CG2 4.45Å; E157-V199 HydrophobicContact CG-CG2 3.83Å; I158-V199 HydrophobicContact CB-CG2 3.74Å; I158-V199 HydrophobicContact CD1-CG2 4.27Å; I158-V199 HydrophobicContact CG1-CG2 4.05Å; I158-V199 HydrophobicContact CG2-CG2 4.21Å; F190-V199 HydrophobicContact CB-CB 4.29Å; F190-V199 HydrophobicContact CD2-CB 4.41Å; F190-V199 HydrophobicContact CD2-CG1 4.33Å; F190-V199 PolarHBondContact N-O 3.16Å; F190-V199 PolarHBondContact O-N 3.3Å
200F97.9Very high91.5Very high0 Ų042.6 Ų42.60%021%0.207CC..EExtended strand (participates in β ladder)trans-102.7124.7176.4-177.2-126.3000108.8I29 E30 Y32 T99 L100 S103 F104 N187 Y188 F189 T202I29-F200 WeakPolarHBondContact CA-O 3.49Å; E30-F200 PolarHBondContact N-O 3.32Å; E30-F200 PolarHBondContact O-N 3.14Å; Y32-F200 HydrophobicContact CD2-CB 4.22Å; Y32-F200 HydrophobicContact CE2-CB 4.07Å; T99-F200 HydrophobicContact CG2-CB 3.78Å; T99-F200 HydrophobicContact CG2-CG 4.05Å; L100-F200 HydrophobicContact CD2-CE1 4.43Å; L100-F200 HydrophobicContact CD2-CE2 4.05Å; L100-F200 HydrophobicContact CD2-CZ 3.67Å; S103-F200 WeakPolarHBondContact OG-CD1 3.25Å; S103-F200 WeakPolarHBondContact OG-CE1 3.27Å; F104-F200 AromaticContact CE2-CE1 3.66Å; F104-F200 HydrophobicContact CE2-CE1 3.66Å; F104-F200 AromaticContact CE2-CZ 3.73Å; F104-F200 HydrophobicContact CE2-CZ 3.73Å; F104-F200 AromaticContact CZ-CE1 3.88Å; F104-F200 HydrophobicContact CZ-CE1 3.88Å; F104-F200 HydrophobicContact CZ-CZ 4.05Å; N187-F200 HydrophobicContact CB-CE2 4.03Å; N187-F200 HydrophobicContact CB-CZ 4.17Å; Y188-F200 WeakPolarHBondContact O-CD2 3.43Å; F189-F200 AromaticContact CD1-CD2 3.5Å; F189-F200 HydrophobicContact CD1-CD2 3.5Å; F189-F200 VanDerWaalsContact CD1-CD2 3.5Å; F189-F200 HydrophobicContact CD1-CE2 4.03Å; F189-F200 HydrophobicContact CD1-CG 4.37Å; F189-F200 HydrophobicContact CD2-CD2 4.4Å; F189-F200 HydrophobicContact CD2-CE2 4.39Å; F189-F200 AromaticContact CE1-CD2 3.37Å; F189-F200 HydrophobicContact CE1-CD2 3.37Å; F189-F200 AromaticContact CE1-CE2 3.49Å; F189-F200 HydrophobicContact CE1-CE2 3.49Å; F189-F200 VanDerWaalsContact CE1-CE2 3.49Å; F189-F200 HydrophobicContact CE1-CG 4.27Å; F189-F200 HydrophobicContact CE1-CZ 4.45Å; F189-F200 HydrophobicContact CE2-CD2 4.28Å; F189-F200 AromaticContact CE2-CE2 3.88Å; F189-F200 HydrophobicContact CE2-CE2 3.88Å; F189-F200 HydrophobicContact CG-CD2 4.02Å; F189-F200 HydrophobicContact CG-CE2 4.44Å; F189-F200 AromaticContact CZ-CD2 3.79Å; F189-F200 HydrophobicContact CZ-CD2 3.79Å; F189-F200 AromaticContact CZ-CE2 3.41Å; F189-F200 HydrophobicContact CZ-CE2 3.41Å; F189-F200 VanDerWaalsContact CZ-CE2 3.41Å; F189-F200 HydrophobicContact CZ-CZ 4.31Å; F200-T202 HydrophobicContact CD1-CG2 4.45Å; F200-T202 HydrophobicContact CE1-CG2 3.83Å; F200-T202 HydrophobicContact CZ-CG2 4.3Å
201F97.3Very high89.4Confident0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-123.1107.6176.7-175.4-167000109L16 R28 I29 V131 L135 L150 I154 F186 Y188 F190 C203L16-F201 HydrophobicContact CD1-CE2 4.04Å; L16-F201 HydrophobicContact CD1-CZ 4.03Å; R28-F201 WeakPolarHBondContact O-CD2 3.49Å; I29-F201 HydrophobicContact CD1-CE2 4.31Å; I29-F201 HydrophobicContact CG1-CD2 3.49Å; I29-F201 VanDerWaalsContact CG1-CD2 3.49Å; I29-F201 HydrophobicContact CG1-CE2 3.68Å; I29-F201 HydrophobicContact CG1-CG 4.04Å; I29-F201 HydrophobicContact CG1-CZ 4.35Å; V131-F201 HydrophobicContact CG1-CE1 3.71Å; V131-F201 HydrophobicContact CG1-CZ 4.36Å; L135-F201 HydrophobicContact CD1-CZ 4.12Å; L150-F201 HydrophobicContact CD1-CE1 4.27Å; L150-F201 HydrophobicContact CD1-CZ 4.33Å; L150-F201 HydrophobicContact CD2-CE1 3.89Å; L150-F201 HydrophobicContact CD2-CZ 3.97Å; I154-F201 HydrophobicContact CD1-CD1 4.35Å; F186-F201 AromaticContact CE2-CD1 4Å; F186-F201 HydrophobicContact CE2-CD1 4Å; F186-F201 HydrophobicContact CE2-CD2 4.1Å; F186-F201 AromaticContact CE2-CE1 3.98Å; F186-F201 HydrophobicContact CE2-CE1 3.98Å; F186-F201 HydrophobicContact CE2-CE2 4.07Å; F186-F201 HydrophobicContact CE2-CG 4.07Å; F186-F201 HydrophobicContact CE2-CZ 4.02Å; F186-F201 HydrophobicContact CZ-CE1 4.06Å; F186-F201 HydrophobicContact CZ-CE2 4.25Å; F186-F201 AromaticContact CZ-CZ 3.91Å; F186-F201 HydrophobicContact CZ-CZ 3.91Å; Y188-F201 PolarHBondContact N-O 3.46Å; Y188-F201 PolarHBondContact O-N 3.19Å; F190-F201 HydrophobicContact CE2-CB 4.11Å; F201-C203 HydrophobicContact CE2-CB 4.2Å
202T94.8Very high87.1Confident8 Ų853 Ų535%0.04927%0.266CS..EExtended strand (participates in β ladder)trans-109.8138.4173.8-179.90000109.4G27 R28 F104 F186 N187 F200G27-T202 WeakPolarHBondContact CA-O 3.46Å; R28-T202 HydrophobicContact CB-CG2 3.94Å; R28-T202 PolarHBondContact N-O 3.46Å; R28-T202 PolarHBondContact O-N 3.3Å; F104-T202 HydrophobicContact CE1-CG2 4.46Å; F104-T202 HydrophobicContact CZ-CG2 4.01Å; F186-T202 WeakPolarHBondContact O-CA 3.09Å; N187-T202 WeakPolarHBondContact OD1-CB 3.46Å; N187-T202 PolarHBondContact OD1-OG1 2.79Å; F200-T202 HydrophobicContact CD1-CG2 4.45Å; F200-T202 HydrophobicContact CE1-CG2 3.83Å; F200-T202 HydrophobicContact CZ-CG2 4.3Å
203C93Very high84.7Confident0 Ų055.2 Ų55.20%029%0.291CS..EExtended strand (participates in β ladder)trans-148.9141.7171.5-1650000109.8L26 G27 W184 S185 F186 F201L26-C203 WeakPolarHBondContact O-CA 3.09Å; G27-C203 VanDerWaalsContact CA-SG 3.55Å; W184-C203 HydrophobicContact CH2-CB 4.25Å; W184-C203 VanDerWaalsContact CH2-SG 3.54Å; W184-C203 HydrophobicContact CZ3-CB 3.94Å; S185-C203 CarbonylContact C-O 3.58Å; S185-C203 VanDerWaalsContact CA-O 3.28Å; S185-C203 WeakPolarHBondContact CA-O 3.41Å; F186-C203 HydrophobicContact CD1-CB 4.35Å; F186-C203 HydrophobicContact CD2-CB 4.24Å; F186-C203 HydrophobicContact CE1-CB 3.71Å; F186-C203 HydrophobicContact CE2-CB 3.56Å; F186-C203 HydrophobicContact CZ-CB 3.26Å; F186-C203 PolarHBondContact N-O 2.85Å; F186-C203 PolarHBondContact O-N 2.75Å; F201-C203 HydrophobicContact CE2-CB 4.2Å
204R90.7Very high82.5Confident42 Ų4261.4 Ų61.416%0.15831%0.311CS..EExtended strand (participates in β ladder)trans-136.4150170.965-177.9-174.2156.22.6111.2I25 L26 E179 W184 V206I25-R204 WeakPolarHBondContact CA-O 3.44Å; L26-R204 HydrophobicContact CB-CG 3.97Å; L26-R204 HydrophobicContact CD1-CG 4.3Å; L26-R204 PolarHBondContact N-O 2.6Å; L26-R204 PolarHBondContact O-N 2.77Å; L26-R204 VanDerWaalsContact O-N 3.1Å; E179-R204 IonicContact OE2-CZ 2.86Å; E179-R204 VanDerWaalsContact OE2-CZ 3.31Å; E179-R204 IonicContact OE2-NH1 3.04Å; E179-R204 PolarHBondContact OE2-NH1 3.33Å; E179-R204 IonicContact OE2-NH2 3.95Å; E179-R204 PolarHBondContact OE2-NH2 3.24Å; W184-R204 CarbonylContact O-C 3.59Å; W184-R204 WeakPolarHBondContact O-CA 3.36Å; R204-V206 HydrophobicContact CG-CG1 4.37Å
205S90.4Very high80Confident0 Ų056.5 Ų56.50%031%0.312CS..EExtended strand (participates in β ladder)trans-112126.4166.4-177.80000108.5S23 R24 L183 W184S23-S205 WeakPolarHBondContact CB-OG 3.28Å; S23-S205 PolarHBondContact OG-OG 3.09Å; R24-S205 WeakPolarHBondContact O-CA 3.36Å; L183-S205 PolarHBondContact N-O 3.27Å; W184-S205 VanDerWaalsContact NE1-CB 3.25Å; W184-S205 PolarHBondContact O-N 3.17Å
206V89.4Confident77.5Confident25 Ų2556.5 Ų56.515%0.15232%0.318CS..EExtended strand (participates in β ladder)trans-117.2136.6178.8-62.20000109.6S23 R24 G181 R204S23-V206 CarbonylContact C-O 3.51Å; S23-V206 WeakPolarHBondContact CA-O 3.45Å; R24-V206 HydrophobicContact CB-CG2 3.91Å; R24-V206 PolarHBondContact N-O 3Å; R24-V206 WeakPolarHBondContact O-CG2 3.36Å; R24-V206 PolarHBondContact O-N 3.23Å; G181-V206 CarbonylContact O-C 3.49Å; G181-V206 VanDerWaalsContact O-CA 3.31Å; G181-V206 WeakPolarHBondContact O-CA 3.11Å; R204-V206 HydrophobicContact CG-CG1 4.37Å
207S87Confident75.1Confident24 Ų2456.7 Ų56.717%0.16833%0.325CS..EExtended strand (participates in β ladder)trans-68133.4175.7-1750000110.5E22 G181 L209E22-S207 WeakPolarHBondContact O-CA 3.27Å; E22-S207 PolarHBondContact O-OG 3.01Å; G181-S207 PolarHBondContact O-N 2.92Å; S207-L209 PolarHBondContact O-N 3.26Å; S207-L209 PolarHBondContact OG-N 2.91Å
208V82Confident72.7Confident45 Ų4561 Ų6127%0.27335%0.352SS..G310 helixtrans-70.6-23175-175.10000110.8E19 E22 R24 S210 G211E19-V208 HydrophobicContact CG-CG2 4.36Å; E22-V208 PolarHBondContact O-N 3.07Å; R24-V208 HydrophobicContact CB-CG2 4.47Å; V208-S210 VanDerWaalsContact C-N 3.35Å; V208-S210 PolarHBondContact O-N 2.71Å; V208-G211 PolarHBondContact O-N 2.87Å
209L73.6Confident70.2Confident121 Ų12168.2 Ų68.263%0.63439%0.391SS*.G310 helixtrans-71.6-27.8-179.6-63.8174000113S207 G211 Y212S207-L209 PolarHBondContact O-N 3.26Å; S207-L209 PolarHBondContact OG-N 2.91Å; L209-G211 PolarHBondContact O-N 3.06Å; L209-Y212 PolarHBondContact O-N 3.08Å; L209-Y212 VanDerWaalsContact O-N 3.13Å
210S62.7Low67.7Low51 Ų5176.1 Ų76.136%0.35743%0.428SS..G310 helixtrans-66.1-20.3178.4-58.90000113E180 G181 V208E180-S210 WeakPolarHBondContact O-CB 3.19Å; G181-S210 WeakPolarHBondContact CA-OG 3.39Å; V208-S210 VanDerWaalsContact C-N 3.35Å; V208-S210 PolarHBondContact O-N 2.71Å
211G53.9Low65.1Low61 Ų6183.6 Ų83.663%0.62947%0.467SS*.G310 helixtrans-77.6-18.117400000114.9V208 L209 G213V208-G211 PolarHBondContact O-N 2.87Å; L209-G211 PolarHBondContact O-N 3.06Å; G211-G213 VanDerWaalsContact C-N 3.31Å; G211-G213 PolarHBondContact O-N 3.27Å
212Y49.3Very low62.7Low173 Ų17391 Ų9168%0.67851%0.507SS*.G310 helixtrans-78.9-11.5-177.2-82.2-88.6000113.8L209 R214L209-Y212 PolarHBondContact O-N 3.08Å; L209-Y212 VanDerWaalsContact O-N 3.13Å; Y212-R214 PolarHBondContact O-N 3.17Å
213G46.5Very low60.5Low53 Ų5398.7 Ų98.755%0.54654%0.544SS..G310 helixtrans-79.5-10.4-174.800000116.3G211G211-G213 VanDerWaalsContact C-N 3.31Å; G211-G213 PolarHBondContact O-N 3.27Å
214R46.7Very low58Low237 Ų237106.8 Ų106.889%0.89458%0.582SS**SBendtrans-120.1-1.5-169.3-137.1174.8-171.9-105.91.8116.3Y212Y212-R214 PolarHBondContact O-N 3.17Å
215G42.2Very low55.8Low77 Ų77112.5 Ų112.579%0.79462%0.615SS**SBendtrans-114.7-13-177.800000116
216S41.8Very low53.5Low85 Ų85121.1 Ų121.159%0.59466%0.655SS**SBendtrans-123.2-7.4-168-164.60000115.6
217L44.6Very low51.2Low121 Ų121127.1 Ų127.163%0.63469%0.686SS**SBendtrans-100-6.1-174.6-70.9171.2000114.8
218D46Very low49Very low157 Ų157135.1 Ų135.184%0.8472%0.721SS**SBendtrans-86.7-7.2176.7-80.5-3000113.5
219N45.9Very low46.9Very low153 Ų153141.8 Ų141.882%0.81875%0.749SS**SBendtrans-104.31.1-175-908.5000115.6
220E45.9Very low45.5Very low165 Ų165145.4 Ų145.477%0.77176%0.763SS**SBendtrans-116.512.5-175-95.1-171172.100115.3
221L43.6Very low44.3Very low157 Ų157151.8 Ų151.882%0.82279%0.79SS**  trans-106.915.2175-67.9177.4000114.9M223L221-M223 PolarHBondContact O-N 3.09Å
222D46.8Very low43.4Very low155 Ų155156.2 Ų156.283%0.82980%0.799SS**  trans-95.672162.1-109.5-5.6000108.9E224D222-E224 VanDerWaalsContact C-N 3.35Å; D222-E224 PolarHBondContact O-N 3.11Å
223M48Very low42.7Very low170 Ų170151.3 Ų151.384%0.83780%0.801SS**  trans-74.596.7158.7-117.4-176.3-66.900106.1L221 L225L221-M223 PolarHBondContact O-N 3.09Å; M223-L225 PolarHBondContact O-N 3.38Å; M223-L225 VanDerWaalsContact O-N 3.11Å
224E41.5Very low42.1Very low170 Ų170157 Ų15779%0.79481%0.811SS**  trans-49.4116172.8-70.7178.6156.700109.3D222 E226D222-E224 VanDerWaalsContact C-N 3.35Å; D222-E224 PolarHBondContact O-N 3.11Å; E224-E226 PolarHBondContact O-N 3.36Å; E224-E226 VanDerWaalsContact O-N 3.09Å
225L44.4Very low41.6Very low163 Ų163152.7 Ų152.785%0.85381%0.811SS**  trans-68.799.9165-71.1166.6000106.3M223 D227M223-L225 PolarHBondContact O-N 3.38Å; M223-L225 VanDerWaalsContact O-N 3.11Å; L225-D227 PolarHBondContact O-N 3.32Å; L225-D227 VanDerWaalsContact O-N 3.17Å
226E41.8Very low41.3Very low181 Ų181156.4 Ų156.485%0.84681%0.808SS**  trans-63.4113.2171.6-73.4-179.8161.900109.2E224 E228E224-E226 PolarHBondContact O-N 3.36Å; E224-E226 VanDerWaalsContact O-N 3.09Å; E226-E228 PolarHBondContact O-N 3.33Å
227D40.6Very low40.9Very low150 Ų150161.1 Ų161.180%0.80282%0.82SS**  trans-64110.7170.8-72.7-45.2000109.6L225 E229L225-D227 PolarHBondContact O-N 3.32Å; L225-D227 VanDerWaalsContact O-N 3.17Å; D227-E229 PolarHBondContact O-N 3.26Å; D227-E229 VanDerWaalsContact O-N 3.08Å
228E41.4Very low40.2Very low193 Ų193158.9 Ų158.990%0.90283%0.827SS**  trans-7293.9165.8-73.9-171.2162.800109.1E226 E230E226-E228 PolarHBondContact O-N 3.33Å; E228-E230 PolarHBondContact O-N 3.31Å
229E38.7Very low39.8Very low184 Ų184161.1 Ų161.186%0.8683%0.829SS**  trans-70.5115.3166.9-74.7-168.2166.700110.6D227 M231D227-E229 PolarHBondContact O-N 3.26Å; D227-E229 VanDerWaalsContact O-N 3.08Å; E229-M231 PolarHBondContact O-N 3.25Å
230E42.5Very low39.6Very low197 Ų197159.3 Ų159.392%0.92183%0.826SS**  trans-55.3118.3167.2-68.5-179.5151.200111E228E228-E230 PolarHBondContact O-N 3.31Å
231M39Very low39.1Very low186 Ų186162.7 Ų162.792%0.91683%0.832SS**  trans-106.694.7164.5-163.7174.570.900109.9E229E229-M231 PolarHBondContact O-N 3.25Å
232D35.1Very low38.8Very low153 Ų153159.7 Ų159.782%0.81883%0.829SS**  trans-78.1135.1170.3-151.28.8000109.9
233G34.5Very low38.2Very low71 Ų71160.5 Ų160.573%0.73283%0.833SS**  trans-17659.8-171.400000115.4
234F33.6Very low37.6Very low173 Ų173158.2 Ų158.276%0.75983%0.832SS**  trans-52.9132.3167.5-114-102.3000113.2
235T35.1Very low37.6Very low145 Ų145160.4 Ų160.489%0.8986%0.856SS**  trans-145.7128.2138.945.50000110.7
236E35.9Very low37.2Very low155 Ų155160.3 Ų160.372%0.72486%0.857SS**  trans-89.8166.3-172.6-130-174.4166.900113.4
237E33.4Very low37Very low184 Ų184159.2 Ų159.286%0.8686%0.857SS**  trans89.4120.8153.7-74.1-162.917100122.5
238G31.2Very low36.8Very low74 Ų74159.7 Ų159.776%0.76386%0.86SS**  trans163.364.8157.900000115.5
239F36.5Very low36.5Very low205 Ų205157.7 Ų157.790%0.89986%0.858SS**  trans-64.5145158.8-96.8-80.8000109.4
240P42.3Very low36.4Very low115 Ų115156.1 Ų156.175%0.74786%0.858SS**  -149.115288.135.1-15.6000117.1
241R35.7Very low36Very low236 Ų236153.3 Ų153.389%0.89185%0.853SS**  trans28.6116.5141.1-78.9178.3157.9172.7-5.9120.2
242A36Very low35.8Very low93 Ų93151 Ų15177%0.76985%0.849SS**  trans15.6132.3130.700000119.7
243L34.9Very low35.8Very low172 Ų172150.8 Ų150.890%0.90185%0.851SS**  trans-155.2116.3134.7-102.3156.3000109.1
244C35.8Very low35.9Very low122 Ų122157.5 Ų157.582%0.82486%0.861SS**  trans-69139.9160.8-59.10000109.3
245V40.8Very low36.1Very low216 Ų216156.1 Ų156.1100%1.30987%0.871SS**  trans-140.40141.4-175.90000107.3

Retrieved 245 of 245 residues in 117.4 ms (Link to these results)

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