G4VKP4_SCHMA Loading...

Putative vesicle-associated membrane protein (Vamp)

AlphaFold DB , UniProt , Accession G4VKP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 363 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
1M36.8Very low79.4Confident169 Ų16970.2 Ų70.283%0.83346%0.458SS*.  0110.70-75.5-139.1-76.900106.8G3 L300M1-G3 PolarHBondContact O-N 3.02Å; M1-L300 HydrophobicContact CB-CD1 4.25Å; M1-L300 HydrophobicContact CG-CD1 4.45Å; M1-L300 VanDerWaalsContact N-CD2 3.29Å
2A47.2Very low80.9Confident104 Ų10474.3 Ų74.386%0.8647%0.466SS*.PPolyproline II helixtrans-53.2129.1172.900000108.4
3G62.6Low82.1Confident71 Ų7172.2 Ų72.273%0.73245%0.454SS*.PPolyproline II helixtrans-54.2143.1175.800000109.4M1M1-G3 PolarHBondContact O-N 3.02Å
4S70.7Confident82.7Confident62 Ų6279.1 Ų79.143%0.43447%0.474SS..PPolyproline II helixtrans-51.3138.5172.350.50000109.3L116S4-L116 WeakPolarHBondContact CB-O 3.46Å
5P84.7Confident83.2Confident50 Ų5080.5 Ų80.533%0.32548%0.478SS..PPolyproline II helixtrans-50.4153.5173.817.4-31.1000112Q7 S114 L116 M117P5-Q7 PolarHBondContact O-N 2.75Å; P5-S114 VanDerWaalsContact CD-O 3.31Å; P5-S114 WeakPolarHBondContact CD-O 3.49Å; P5-L116 VanDerWaalsContact CD-O 3.29Å; P5-L116 WeakPolarHBondContact CD-O 3.22Å; P5-M117 HydrophobicContact CB-CG 3.88Å; P5-M117 HydrophobicContact CG-CG 3.58Å
6A89.7Confident83.8Confident87 Ų8777.9 Ų77.972%0.71946%0.46SS*.PPolyproline II helixtrans-58.6138.1176.500000110.2V8 M117A6-V8 PolarHBondContact O-N 3.19Å; A6-M117 WeakPolarHBondContact O-CG 3.49Å
7Q93.9Very high84.4Confident47 Ų4773.3 Ų73.322%0.2243%0.433CS..PPolyproline II helixtrans-62.4131.2177.8175.961.4-94.300111P5 L9 I11 S93 S119P5-Q7 PolarHBondContact O-N 2.75Å; Q7-L9 HydrophobicContact CG-CB 4.36Å; Q7-L9 VanDerWaalsContact CG-O 3.28Å; Q7-L9 WeakPolarHBondContact CG-O 3.42Å; Q7-I11 HydrophobicContact CG-CD1 4.11Å; Q7-S93 VanDerWaalsContact CD-OG 3.26Å; Q7-S93 PolarHBondContact NE2-OG 2.93Å; Q7-S93 PolarHBondContact OE1-OG 3.24Å; Q7-S119 WeakPolarHBondContact CB-OG 3.15Å; Q7-S119 WeakPolarHBondContact CG-OG 3.3Å; Q7-S119 PolarHBondContact NE2-OG 3.45Å
8V95.6Very high84.9Confident39 Ų3972.3 Ų72.324%0.23642%0.424CS..  trans-90.6-30.6175.7-65.40000112.9A6 P36 L37 V41 V95 M117A6-V8 PolarHBondContact O-N 3.19Å; V8-P36 VanDerWaalsContact O-CD 3.26Å; V8-P36 WeakPolarHBondContact O-CD 3.36Å; V8-P36 VanDerWaalsContact O-CG 3.27Å; V8-P36 WeakPolarHBondContact O-CG 3.39Å; V8-L37 HydrophobicContact CB-CD1 3.96Å; V8-L37 HydrophobicContact CB-CG 4.46Å; V8-L37 HydrophobicContact CG1-CD1 4.19Å; V8-L37 HydrophobicContact CG2-CD1 4.01Å; V8-V41 HydrophobicContact CG2-CG1 4.35Å; V8-V41 HydrophobicContact CG2-CG2 4.19Å; V8-V95 HydrophobicContact CG2-CG2 4.44Å; V8-M117 HydrophobicContact CB-SD 4.17Å; V8-M117 HydrophobicContact CG1-CE 4.41Å; V8-M117 HydrophobicContact CG1-SD 3.61Å; V8-M117 HydrophobicContact CG2-CE 3.63Å; V8-M117 HydrophobicContact CG2-SD 3.77Å
9L97.3Very high85.4Confident7 Ų768.6 Ų68.64%0.03740%0.402CS..SBendtrans-70.6134.9177-64.6179.7000110.1Q7 I11 N35 V41 F43 I62Q7-L9 HydrophobicContact CG-CB 4.36Å; Q7-L9 VanDerWaalsContact CG-O 3.28Å; Q7-L9 WeakPolarHBondContact CG-O 3.42Å; L9-I11 HydrophobicContact CB-CG1 4.28Å; L9-N35 HydrophobicContact CD2-CB 3.98Å; L9-V41 HydrophobicContact CD1-CG1 4.03Å; L9-V41 HydrophobicContact CD2-CB 3.9Å; L9-V41 HydrophobicContact CD2-CG1 3.72Å; L9-V41 HydrophobicContact CD2-CG2 4.23Å; L9-V41 HydrophobicContact CG-CG1 3.87Å; L9-F43 HydrophobicContact CD1-CB 4.18Å; L9-I62 HydrophobicContact CD1-CD1 4.02Å; L9-I62 HydrophobicContact CD2-CD1 3.98Å
10Q97.6Very high85.8Confident118 Ų11872.2 Ų72.255%0.55142%0.415SS*.EExtended strand (participates in β ladder)trans-80.4122.5166.1-56.6175.8-8.500107.9T34 P36Q10-T34 PolarHBondContact N-O 3.2Å; Q10-T34 PolarHBondContact O-N 3.46Å; Q10-P36 HydrophobicContact CG-CG 4.43Å
11I97.8Very high86Confident18 Ų1869.7 Ų69.79%0.09241%0.405CS..EExtended strand (participates in β ladder)trans-115.9124.3-174.4-52.7-179.1000108.5Q7 L9 K14 I31 L33 I91 S119 L121Q7-I11 HydrophobicContact CG-CD1 4.11Å; L9-I11 HydrophobicContact CB-CG1 4.28Å; I11-K14 WeakPolarHBondContact O-CG 3.43Å; I11-I31 HydrophobicContact CG2-CG2 3.73Å; I11-L33 HydrophobicContact CB-CD2 4.24Å; I11-L33 HydrophobicContact CD1-CD2 4.29Å; I11-L33 HydrophobicContact CG1-CD2 3.77Å; I11-L33 HydrophobicContact CG2-CD2 3.92Å; I11-I91 HydrophobicContact CD1-CB 4.01Å; I11-I91 HydrophobicContact CD1-CD1 4.28Å; I11-I91 HydrophobicContact CD1-CG1 4.31Å; I11-I91 HydrophobicContact CD1-CG2 4.14Å; I11-I91 HydrophobicContact CG2-CD1 4.34Å; I11-S119 WeakPolarHBondContact CD1-OG 3.3Å; I11-L121 HydrophobicContact CG2-CD1 4.26Å
12E97.3Very high88.6Confident119 Ų11965.7 Ų65.756%0.55639%0.392SS*.EExtended strand (participates in β ladder)trans-128.7122.9177-179.9177.1-161.200108.7I31 K32E12-I31 CarbonylContact O-C 3.58Å; E12-I31 WeakPolarHBondContact O-CA 3.28Å; E12-K32 HydrophobicContact CB-CB 4.29Å; E12-K32 PolarHBondContact N-O 2.97Å; E12-K32 PolarHBondContact O-N 3.04Å
13P95.9Very high90.8Very high48 Ų4861.2 Ų61.231%0.31235%0.353SS..SBendcis-70.7154.8-2.329.9-35.5000113.3E16 L17 Y30 L121P13-E16 WeakPolarHBondContact CB-O 3.31Å; P13-E16 WeakPolarHBondContact CG-O 3.43Å; P13-L17 HydrophobicContact CG-CD1 4.14Å; P13-Y30 WeakPolarHBondContact CD-O 3.38Å; P13-L121 HydrophobicContact CG-CD2 4.07Å; P13-L121 WeakPolarHBondContact O-CD2 3.27Å
14K91.5Very high92.2Very high168 Ų16862.6 Ų62.673%0.7335%0.347SS*.SBendtrans-75.2-39.9-171.9-72-178.9179.9176.20114.6I11I11-K14 WeakPolarHBondContact O-CG 3.43Å
15N89Confident93.4Very high100 Ų10065.3 Ų65.354%0.53536%0.357SS..SBendtrans-124.7-28.8-165.5-64.1-43.7000113.8L121 F122N15-L121 CarbonylContact O-C 3.55Å; N15-L121 VanDerWaalsContact O-CA 3.29Å; N15-L121 WeakPolarHBondContact O-CA 3.42Å; N15-F122 PolarHBondContact O-N 3.49Å
16E92.9Very high94Very high39 Ų3966.3 Ų66.318%0.18236%0.362CS..EExtended strand (participates in β ladder)trans-141.3137.3-164.5-70169.4-173.900109.2P13 F122 I124 C136 R137P13-E16 WeakPolarHBondContact CB-O 3.31Å; P13-E16 WeakPolarHBondContact CG-O 3.43Å; E16-F122 CarbonylContact C-O 3.55Å; E16-F122 VanDerWaalsContact CA-O 3.29Å; E16-F122 WeakPolarHBondContact CA-O 3.13Å; E16-I124 HydrophobicContact CB-CG1 4.34Å; E16-I124 HydrophobicContact CG-CG1 4.38Å; E16-C136 VanDerWaalsContact OE2-CB 3.3Å; E16-C136 WeakPolarHBondContact OE2-CB 3.3Å; E16-C136 PolarHBondContact OE2-SG 3.24Å; E16-R137 IonicContact OE1-NH1 3.36Å
17L95.2Very high94.3Very high0 Ų063 Ų630%033%0.333CS..EExtended strand (participates in β ladder)trans-118110.6176.7-17369.4000107.9P13 F19 S29 I31 V72 F89 L121 F122 C123 I124P13-L17 HydrophobicContact CG-CD1 4.14Å; L17-F19 HydrophobicContact CB-CE2 4.41Å; L17-F19 HydrophobicContact CD2-CE2 3.8Å; L17-F19 HydrophobicContact CD2-CZ 3.58Å; L17-F19 HydrophobicContact CG-CE2 3.9Å; L17-F19 HydrophobicContact CG-CZ 4.03Å; L17-S29 WeakPolarHBondContact CD1-OG 3.32Å; L17-I31 HydrophobicContact CD1-CD1 4.49Å; L17-I31 HydrophobicContact CD1-CG1 3.76Å; L17-I31 HydrophobicContact CD2-CD1 4.16Å; L17-I31 HydrophobicContact CD2-CG1 4.27Å; L17-V72 HydrophobicContact CD2-CB 3.89Å; L17-V72 HydrophobicContact CD2-CG1 3.92Å; L17-V72 HydrophobicContact CD2-CG2 3.89Å; L17-F89 HydrophobicContact CD2-CD2 4.29Å; L17-F89 HydrophobicContact CD2-CE2 4.44Å; L17-L121 HydrophobicContact CB-CD2 4.18Å; L17-F122 PolarHBondContact N-O 2.59Å; L17-C123 WeakPolarHBondContact O-CA 3.37Å; L17-I124 PolarHBondContact O-N 3.46Å
18I93.2Very high94.5Very high56 Ų5663.4 Ų63.429%0.28734%0.339SS..EExtended strand (participates in β ladder)trans-91.3135.2-174.1-61.8167.6000109.2E20 S29 I124 H126I18-E20 HydrophobicContact CG2-CG 4.32Å; I18-S29 WeakPolarHBondContact O-CB 3.46Å; I18-S29 PolarHBondContact O-OG 3.26Å; I18-I124 WeakPolarHBondContact CA-O 3.09Å; I18-I124 HydrophobicContact CG1-CB 4.3Å; I18-H126 HydrophobicContact CG2-CB 4.27Å; I18-H126 WeakPolarHBondContact CG2-ND1 3.34Å
19F94.8Very high94.6Very high1 Ų162.5 Ų62.50%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-117.1116.9170.9-62.9-93.4000108.7L17 F23 V27 Y53 V72 L74 C123 I124 L125 H126L17-F19 HydrophobicContact CB-CE2 4.41Å; L17-F19 HydrophobicContact CD2-CE2 3.8Å; L17-F19 HydrophobicContact CD2-CZ 3.58Å; L17-F19 HydrophobicContact CG-CE2 3.9Å; L17-F19 HydrophobicContact CG-CZ 4.03Å; F19-F23 HydrophobicContact CB-CE1 4.2Å; F19-V27 HydrophobicContact CB-CG1 3.94Å; F19-V27 HydrophobicContact CD1-CB 4.47Å; F19-V27 HydrophobicContact CD1-CG1 4.08Å; F19-Y53 HydrophobicContact CE1-CE1 4.2Å; F19-Y53 HydrophobicContact CE2-CE1 4.07Å; F19-Y53 HydrophobicContact CZ-CD1 4.24Å; F19-Y53 AromaticContact CZ-CE1 3.7Å; F19-Y53 HydrophobicContact CZ-CE1 3.7Å; F19-V72 HydrophobicContact CE1-CB 4.47Å; F19-V72 HydrophobicContact CE1-CG1 4.1Å; F19-V72 WeakPolarHBondContact CE1-O 3.3Å; F19-V72 HydrophobicContact CZ-CB 4.28Å; F19-V72 HydrophobicContact CZ-CG1 3.68Å; F19-L74 HydrophobicContact CB-CD2 3.98Å; F19-L74 HydrophobicContact CD1-CB 3.56Å; F19-L74 HydrophobicContact CD1-CD2 4.07Å; F19-L74 HydrophobicContact CD1-CG 4.48Å; F19-L74 HydrophobicContact CE1-CB 3.7Å; F19-L74 HydrophobicContact CG-CB 4.28Å; F19-L74 HydrophobicContact CG-CD2 3.97Å; F19-C123 HydrophobicContact CD2-CB 4.42Å; F19-C123 HydrophobicContact CE2-CB 4.03Å; F19-I124 PolarHBondContact N-O 3.39Å; F19-L125 HydrophobicContact CB-CD2 3.88Å; F19-L125 HydrophobicContact CD2-CD2 4.44Å; F19-L125 HydrophobicContact CG-CD2 4.45Å; F19-H126 PolarHBondContact O-N 3.18Å
20E92.5Very high94.6Very high140 Ų14067.8 Ų67.865%0.65435%0.354SS*.EExtended strand (participates in β ladder)trans-86.8124.6178.7-62.5-177.9177.500109.9I18 V27 H126I18-E20 HydrophobicContact CG2-CG 4.32Å; E20-V27 WeakPolarHBondContact O-CG1 3.42Å; E20-V27 WeakPolarHBondContact O-CG2 3.48Å; E20-H126 HydrophobicContact CG-CB 4.5Å
21G90.3Very high94.7Very high21 Ų2162.2 Ų62.222%0.21633%0.328CS..SBendtrans-70.5176.8175.400000112.6H126G21-H126 PolarHBondContact N-O 2.78Å
22P90.9Very high94.7Very high85 Ų8565.5 Ų65.555%0.55234%0.342SS*.  cis-75.2147.68.430.7-36.1000113.4V24P22-V24 HydrophobicContact CB-CG2 4.18Å; P22-V24 HydrophobicContact CG-CG2 4.21Å; P22-V24 PolarHBondContact O-N 3.45Å
23F93.3Very high94.7Very high10 Ų1059.9 Ų59.94%0.04432%0.315CS..THydrogen-bonded Turntrans-89.426-176.4-50.1-64.7000114F19 V27 L74 P76 F77 Y79 L125F19-F23 HydrophobicContact CB-CE1 4.2Å; F23-V27 HydrophobicContact CD1-CG2 4.03Å; F23-L74 HydrophobicContact CD1-CD2 3.95Å; F23-L74 HydrophobicContact CE1-CD2 4.27Å; F23-P76 WeakPolarHBondContact O-CA 3.39Å; F23-F77 HydrophobicContact CB-CD1 3.95Å; F23-F77 HydrophobicContact CB-CE1 3.53Å; F23-F77 HydrophobicContact CB-CZ 4.21Å; F23-F77 HydrophobicContact CD1-CE1 4.2Å; F23-F77 HydrophobicContact CD2-CE1 4.28Å; F23-F77 HydrophobicContact CD2-CZ 4.25Å; F23-F77 AromaticContact CG-CE1 3.74Å; F23-F77 HydrophobicContact CG-CE1 3.74Å; F23-F77 HydrophobicContact CG-CZ 4.17Å; F23-F77 PolarHBondContact O-N 2.67Å; F23-Y79 AromaticContact CD2-CD2 3.89Å; F23-Y79 HydrophobicContact CD2-CD2 3.89Å; F23-Y79 AromaticContact CD2-CG 3.85Å; F23-Y79 HydrophobicContact CD2-CG 3.85Å; F23-Y79 AromaticContact CE2-CD2 3.98Å; F23-Y79 HydrophobicContact CE2-CD2 3.98Å; F23-Y79 HydrophobicContact CE2-CE2 4.28Å; F23-Y79 HydrophobicContact CE2-CG 4.16Å; F23-L125 HydrophobicContact CD1-CD2 4.42Å; F23-L125 HydrophobicContact CE1-CB 4.42Å; F23-L125 HydrophobicContact CE1-CD2 3.76Å; F23-L125 HydrophobicContact CE2-CB 4.09Å; F23-L125 HydrophobicContact CE2-CD1 4.25Å; F23-L125 HydrophobicContact CZ-CB 3.65Å; F23-L125 HydrophobicContact CZ-CD1 4.31Å; F23-L125 HydrophobicContact CZ-CD2 3.86Å; F23-L125 HydrophobicContact CZ-CG 4.13Å
24V93.1Very high94.9Very high100 Ų10059 Ų5961%0.60631%0.309SS*.THydrogen-bonded Turntrans-83.6-22.5179.2-61.70000112.6P22 P76P22-V24 HydrophobicContact CB-CG2 4.18Å; P22-V24 HydrophobicContact CG-CG2 4.21Å; P22-V24 PolarHBondContact O-N 3.45Å; V24-P76 WeakPolarHBondContact O-CB 3.23Å
25D94.8Very high95.2Very high118 Ų11851 Ų5163%0.63127%0.274SS*.SBendtrans-124.4175.5175.5-74.2-46.6000110V27D25-V27 PolarHBondContact O-N 2.96Å
26V97Very high95.6Very high71 Ų7148.6 Ų48.643%0.4326%0.264SS..  trans-66.2121178.6176.10000109.8M73 L74 P76V26-M73 HydrophobicContact CG1-CB 3.7Å; V26-M73 HydrophobicContact CG1-CG 4.1Å; V26-L74 WeakPolarHBondContact CA-O 3.42Å; V26-P76 HydrophobicContact CG2-CG 4.37Å
27V96.7Very high95.8Very high18 Ų1849.3 Ų49.311%0.10927%0.269CS..EExtended strand (participates in β ladder)trans-100.7127.2174.2179.20000109.1F19 E20 F23 D25 M73 L74F19-V27 HydrophobicContact CB-CG1 3.94Å; F19-V27 HydrophobicContact CD1-CB 4.47Å; F19-V27 HydrophobicContact CD1-CG1 4.08Å; E20-V27 WeakPolarHBondContact O-CG1 3.42Å; E20-V27 WeakPolarHBondContact O-CG2 3.48Å; F23-V27 HydrophobicContact CD1-CG2 4.03Å; D25-V27 PolarHBondContact O-N 2.96Å; V27-M73 CarbonylContact O-C 3.59Å; V27-M73 WeakPolarHBondContact O-CA 3.34Å; V27-L74 HydrophobicContact CB-CB 4.47Å; V27-L74 PolarHBondContact N-O 2.95Å; V27-L74 VanDerWaalsContact N-O 3.11Å; V27-L74 PolarHBondContact O-N 3.26Å
28T97.7Very high95.8Very high56 Ų5655.6 Ų55.634%0.34430%0.303SS..EExtended strand (participates in β ladder)trans-109.8128.4-178.9-53.20000110.8Y30 A71 V72 M73T28-Y30 HydrophobicContact CG2-CE1 3.96Å; T28-Y30 HydrophobicContact CG2-CE2 4Å; T28-A71 HydrophobicContact CG2-CB 4.04Å; T28-V72 WeakPolarHBondContact CA-O 3.27Å; T28-M73 HydrophobicContact CG2-CG 4Å; T28-M73 WeakPolarHBondContact OG1-CG 3.29Å
29S97.6Very high95.8Very high20 Ų2057.4 Ų57.414%0.1431%0.306CS..EExtended strand (participates in β ladder)trans-119.8153.4168.9-162.80000109.1L17 I18 V72L17-S29 WeakPolarHBondContact CD1-OG 3.32Å; I18-S29 WeakPolarHBondContact O-CB 3.46Å; I18-S29 PolarHBondContact O-OG 3.26Å; S29-V72 PolarHBondContact N-O 2.86Å; S29-V72 PolarHBondContact O-N 3.07Å
30Y98.1Very high95.8Very high117 Ų11757.9 Ų57.946%0.45931%0.31SS..EExtended strand (participates in β ladder)trans-117.3139.6-171.7-64.2-82.1000111.7P13 T28 E69 V70 A71P13-Y30 WeakPolarHBondContact CD-O 3.38Å; T28-Y30 HydrophobicContact CG2-CE1 3.96Å; T28-Y30 HydrophobicContact CG2-CE2 4Å; Y30-E69 HydrophobicContact CD1-CG 3.64Å; Y30-E69 WeakPolarHBondContact CD1-OE2 3.35Å; Y30-E69 HydrophobicContact CG-CG 4.08Å; Y30-V70 WeakPolarHBondContact CA-O 3.43Å; Y30-A71 HydrophobicContact CD1-CB 4.02Å; Y30-A71 HydrophobicContact CE1-CB 3.74Å
31I98.4Very high96Very high1 Ų151.2 Ų51.21%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-115.3116.5169.7-54.5169000107.7I11 E12 L17 L33 V70 V72 L121I11-I31 HydrophobicContact CG2-CG2 3.73Å; E12-I31 CarbonylContact O-C 3.58Å; E12-I31 WeakPolarHBondContact O-CA 3.28Å; L17-I31 HydrophobicContact CD1-CD1 4.49Å; L17-I31 HydrophobicContact CD1-CG1 3.76Å; L17-I31 HydrophobicContact CD2-CD1 4.16Å; L17-I31 HydrophobicContact CD2-CG1 4.27Å; I31-L33 HydrophobicContact CG2-CD2 3.8Å; I31-L33 HydrophobicContact CG2-CG 4.29Å; I31-V70 HydrophobicContact CB-CB 4.3Å; I31-V70 PolarHBondContact N-O 3.36Å; I31-V70 PolarHBondContact O-N 3.36Å; I31-V72 HydrophobicContact CD1-CG2 3.81Å; I31-V72 HydrophobicContact CG1-CG2 4.18Å; I31-L121 HydrophobicContact CD1-CD2 4.3Å; I31-L121 HydrophobicContact CG1-CD2 4.33Å
32K98.4Very high96.3Very high88 Ų8850.2 Ų50.238%0.38327%0.269SS..EExtended strand (participates in β ladder)trans-87.4123.1173.5-172.7177.6175.9-175.40109.4E12 T67 I68E12-K32 HydrophobicContact CB-CB 4.29Å; E12-K32 PolarHBondContact N-O 2.97Å; E12-K32 PolarHBondContact O-N 3.04Å; K32-T67 HydrophobicContact CD-CG2 3.9Å; K32-T67 HydrophobicContact CG-CG2 3.31Å; K32-I68 WeakPolarHBondContact CA-O 3.29Å
33L98.5Very high96.6Very high0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-113.9114.6177.8-58.2179.2000108.8I11 I31 F43 I62 T67 I68 V70 I91I11-L33 HydrophobicContact CB-CD2 4.24Å; I11-L33 HydrophobicContact CD1-CD2 4.29Å; I11-L33 HydrophobicContact CG1-CD2 3.77Å; I11-L33 HydrophobicContact CG2-CD2 3.92Å; I31-L33 HydrophobicContact CG2-CD2 3.8Å; I31-L33 HydrophobicContact CG2-CG 4.29Å; L33-F43 HydrophobicContact CD1-CB 4.47Å; L33-F43 HydrophobicContact CD1-CD2 3.77Å; L33-F43 HydrophobicContact CD1-CE2 4.24Å; L33-F43 HydrophobicContact CD1-CG 4.1Å; L33-I62 HydrophobicContact CB-CD1 3.54Å; L33-I62 HydrophobicContact CD1-CD1 4.19Å; L33-T67 WeakPolarHBondContact O-CA 3.49Å; L33-I68 HydrophobicContact CB-CG1 3.93Å; L33-I68 HydrophobicContact CD1-CD1 4.32Å; L33-I68 PolarHBondContact N-O 3.38Å; L33-I68 PolarHBondContact O-N 3.28Å; L33-V70 HydrophobicContact CD1-CG2 3.86Å; L33-V70 HydrophobicContact CG-CG2 4.34Å; L33-I91 HydrophobicContact CD1-CG2 4.4Å; L33-I91 HydrophobicContact CD2-CG1 4.39Å; L33-I91 HydrophobicContact CD2-CG2 4.26Å
34T98.5Very high96.8Very high29 Ų2949.3 Ų49.318%0.17826%0.256CS..EExtended strand (participates in β ladder)trans-109.8128.5178.3-50.40000109.6Q10 P36 T67Q10-T34 PolarHBondContact N-O 3.2Å; Q10-T34 PolarHBondContact O-N 3.46Å; T34-P36 VanDerWaalsContact O-CD 3.3Å; T34-P36 WeakPolarHBondContact O-CD 3.43Å; T34-T67 WeakPolarHBondContact CG2-OG1 3.38Å; T34-T67 WeakPolarHBondContact OG1-CG2 3.22Å; T34-T67 PolarHBondContact OG1-OG1 3.25Å
35N98.1Very high97Very high0 Ų045.2 Ų45.20%023%0.231CC..  trans-94108173.2178.617.3000110L9 L37 R39 V41 I62 E63 H65 Q66L9-N35 HydrophobicContact CD2-CB 3.98Å; N35-L37 VanDerWaalsContact C-N 3.28Å; N35-L37 PolarHBondContact O-N 2.97Å; N35-L37 WeakPolarHBondContact OD1-CB 3.47Å; N35-L37 PolarHBondContact OD1-N 3.48Å; N35-R39 PolarHBondContact ND2-O 2.94Å; N35-V41 WeakPolarHBondContact OD1-CG2 3.26Å; N35-I62 HydrophobicContact CB-CB 4.07Å; N35-I62 HydrophobicContact CB-CG2 3.51Å; N35-I62 PolarHBondContact ND2-O 2.85Å; N35-E63 PolarHBondContact ND2-O 3.37Å; N35-H65 WeakPolarHBondContact O-CA 3.22Å; N35-H65 PolarHBondContact O-N 3.49Å; N35-H65 VanDerWaalsContact O-N 3.13Å; N35-Q66 PolarHBondContact N-O 3.26Å
36P97.5Very high97.1Very high50 Ų5043.6 Ų43.633%0.32522%0.219SC..  trans-83.9-0.9178.835.9-37.2000113.6V8 Q10 T34 H65V8-P36 VanDerWaalsContact O-CD 3.26Å; V8-P36 WeakPolarHBondContact O-CD 3.36Å; V8-P36 VanDerWaalsContact O-CG 3.27Å; V8-P36 WeakPolarHBondContact O-CG 3.39Å; Q10-P36 HydrophobicContact CG-CG 4.43Å; T34-P36 VanDerWaalsContact O-CD 3.3Å; T34-P36 WeakPolarHBondContact O-CD 3.43Å; P36-H65 PolarHBondContact O-CE1 3.45Å
37L96.4Very high97.1Very high54 Ų5441.8 Ų41.828%0.28321%0.208SC..SBendtrans-89.8157.8-174.4-53.9-178.7000111.7V8 N35 R39 V41 P64 H65 V95V8-L37 HydrophobicContact CB-CD1 3.96Å; V8-L37 HydrophobicContact CB-CG 4.46Å; V8-L37 HydrophobicContact CG1-CD1 4.19Å; V8-L37 HydrophobicContact CG2-CD1 4.01Å; N35-L37 VanDerWaalsContact C-N 3.28Å; N35-L37 PolarHBondContact O-N 2.97Å; N35-L37 WeakPolarHBondContact OD1-CB 3.47Å; N35-L37 PolarHBondContact OD1-N 3.48Å; L37-R39 PolarHBondContact O-N 3.37Å; L37-V41 HydrophobicContact CD1-CG2 4Å; L37-P64 VanDerWaalsContact O-CA 3.23Å; L37-P64 WeakPolarHBondContact O-CA 3.4Å; L37-P64 WeakPolarHBondContact O-CB 3.46Å; L37-H65 PolarHBondContact O-N 2.87Å; L37-V95 HydrophobicContact CD1-CG2 3.93Å
38D95.2Very high97.1Very high132 Ų13244.9 Ų44.971%0.70623%0.227SC*.SBendtrans-76.98.1168.3-62.3-57.2000113.5P64 H65D38-P64 WeakPolarHBondContact O-CG 3.28Å; D38-H65 IonicContact OD1-CD2 2.78Å; D38-H65 IonicContact OD1-CE1 2.89Å; D38-H65 IonicContact OD1-NE2 2.89Å; D38-H65 PolarHBondContact OD1-NE2 2.92Å
39R94.1Very high96.9Very high94 Ų9445.9 Ų45.936%0.35523%0.229SC..SBendtrans-129.5149-178-62.1-179.469.5-146.2-7.2109.9N35 L37 V95 A96 D98N35-R39 PolarHBondContact ND2-O 2.94Å; L37-R39 PolarHBondContact O-N 3.37Å; R39-V95 HydrophobicContact CB-CG1 4.18Å; R39-A96 PolarHBondContact NH2-O 3.25Å; R39-D98 IonicContact CZ-OD1 2.87Å; R39-D98 VanDerWaalsContact CZ-OD1 3.32Å; R39-D98 IonicContact CZ-OD2 3.76Å; R39-D98 IonicContact NE-OD1 3.03Å; R39-D98 PolarHBondContact NE-OD1 3.25Å; R39-D98 IonicContact NE-OD2 3.08Å; R39-D98 PolarHBondContact NE-OD2 3.03Å; R39-D98 VanDerWaalsContact NH2-CG 3.29Å; R39-D98 IonicContact NH2-OD1 2.7Å; R39-D98 PolarHBondContact NH2-OD1 3.44Å; R39-D98 IonicContact NH2-OD2 3.54Å; R39-D98 PolarHBondContact NH2-OD2 2.91Å
40A95.1Very high96.8Very high12 Ų1249.3 Ų49.310%0.09925%0.25CS..  trans-66.8145.717800000112.4I62 A96A40-I62 WeakPolarHBondContact CA-O 3.5Å; A40-A96 HydrophobicContact CB-CB 4.16Å; A40-A96 VanDerWaalsContact O-CB 3.3Å; A40-A96 WeakPolarHBondContact O-CB 3.33Å; A40-A96 PolarHBondContact O-N 3.2Å
41V96.3Very high96.6Very high0 Ų053.3 Ų53.30%027%0.27CS..EExtended strand (participates in β ladder)trans-120.7123177.1179.40000109.2V8 L9 N35 L37 Y61 I62 I94V8-V41 HydrophobicContact CG2-CG1 4.35Å; V8-V41 HydrophobicContact CG2-CG2 4.19Å; L9-V41 HydrophobicContact CD1-CG1 4.03Å; L9-V41 HydrophobicContact CD2-CB 3.9Å; L9-V41 HydrophobicContact CD2-CG1 3.72Å; L9-V41 HydrophobicContact CD2-CG2 4.23Å; L9-V41 HydrophobicContact CG-CG1 3.87Å; N35-V41 WeakPolarHBondContact OD1-CG2 3.26Å; L37-V41 HydrophobicContact CD1-CG2 4Å; V41-Y61 CarbonylContact O-C 3.52Å; V41-Y61 WeakPolarHBondContact O-CA 3.48Å; V41-I62 PolarHBondContact N-O 3.37Å; V41-I62 PolarHBondContact O-N 2.84Å; V41-I94 CarbonylContact C-O 3.57Å; V41-I94 WeakPolarHBondContact CA-O 3.4Å; V41-I94 WeakPolarHBondContact CG1-O 3.19Å
42G96.6Very high96.4Very high0 Ų055 Ų550%028%0.282CS..EExtended strand (participates in β ladder)trans-77.1136.7168.900000109.8G60 S93 I94G42-G60 CarbonylContact C-O 3.5Å; G42-G60 WeakPolarHBondContact CA-O 3.38Å; G42-S93 CarbonylContact O-C 3.49Å; G42-S93 WeakPolarHBondContact O-CA 3.31Å; G42-I94 PolarHBondContact N-O 3.16Å; G42-I94 PolarHBondContact O-N 3.01Å
43F97.6Very high96.4Very high2 Ų251.7 Ų51.71%0.00927%0.267CS..EExtended strand (participates in β ladder)trans-128.2152.3177.277-80.9000111.9L9 L33 V45 P57 N59 G60 I62 I68 V70 Q92 W108L9-F43 HydrophobicContact CD1-CB 4.18Å; L33-F43 HydrophobicContact CD1-CB 4.47Å; L33-F43 HydrophobicContact CD1-CD2 3.77Å; L33-F43 HydrophobicContact CD1-CE2 4.24Å; L33-F43 HydrophobicContact CD1-CG 4.1Å; F43-V45 HydrophobicContact CD2-CG2 4.13Å; F43-V45 HydrophobicContact CE2-CG2 4.3Å; F43-P57 HydrophobicContact CE2-CG 4.4Å; F43-P57 HydrophobicContact CZ-CB 4.17Å; F43-P57 HydrophobicContact CZ-CG 3.82Å; F43-N59 VanDerWaalsContact O-CA 3.22Å; F43-N59 WeakPolarHBondContact O-CA 3.43Å; F43-N59 WeakPolarHBondContact O-CB 3.42Å; F43-G60 WeakPolarHBondContact CD1-O 3.21Å; F43-G60 VanDerWaalsContact CE1-C 3.42Å; F43-G60 PolarHBondContact N-O 3.42Å; F43-G60 PolarHBondContact O-N 3.23Å; F43-G60 VanDerWaalsContact O-N 3.11Å; F43-I62 HydrophobicContact CD1-CD1 3.98Å; F43-I62 HydrophobicContact CD1-CG1 3.67Å; F43-I62 HydrophobicContact CE1-CG1 4Å; F43-I62 HydrophobicContact CG-CD1 4.38Å; F43-I68 HydrophobicContact CD1-CD1 4.03Å; F43-I68 HydrophobicContact CE1-CD1 3.31Å; F43-I68 HydrophobicContact CE2-CD1 3.99Å; F43-I68 HydrophobicContact CZ-CD1 3.3Å; F43-V70 HydrophobicContact CE2-CG2 4.17Å; F43-Q92 CarbonylContact C-O 3.55Å; F43-Q92 VanDerWaalsContact CA-O 3.27Å; F43-Q92 WeakPolarHBondContact CA-O 3.46Å; F43-W108 VanDerWaalsContact C-CZ2 3.44Å
44K97Very high96.4Very high73 Ų7353.8 Ų53.832%0.31728%0.281SS..EExtended strand (participates in β ladder)trans-144.9126.5173.9-177.3170.3-173.2166.60110.2K46 N59 Q92 W108K44-K46 HydrophobicContact CG-CG 4.35Å; K44-N59 HydrophobicContact CB-CB 4.34Å; K44-N59 HydrophobicContact CG-CB 4.33Å; K44-Q92 PolarHBondContact N-O 2.85Å; K44-Q92 PolarHBondContact O-N 3.33Å; K44-W108 HydrophobicContact CB-CH2 3.8Å; K44-W108 HydrophobicContact CB-CZ2 3.46Å; K44-W108 VanDerWaalsContact CB-CZ2 3.46Å; K44-W108 HydrophobicContact CB-CZ3 4.44Å; K44-W108 HydrophobicContact CD-CD2 4.38Å
45V97.8Very high96.4Very high14 Ų1453.6 Ų53.69%0.08528%0.28CS..EExtended strand (participates in β ladder)trans-97.2125.3178.3-175.20000109F43 V55 S58 V70 F89F43-V45 HydrophobicContact CD2-CG2 4.13Å; F43-V45 HydrophobicContact CE2-CG2 4.3Å; V45-V55 HydrophobicContact CB-CG1 4.1Å; V45-V55 HydrophobicContact CG1-CG1 3.96Å; V45-V55 HydrophobicContact CG2-CG1 4.5Å; V45-S58 PolarHBondContact N-O 3.2Å; V45-V70 HydrophobicContact CG2-CG1 4.32Å; V45-F89 HydrophobicContact CG1-CD1 3.61Å; V45-F89 HydrophobicContact CG1-CE1 4.15Å
46K96.8Very high96.3Very high84 Ų8459.8 Ų59.837%0.36531%0.307SS..EExtended strand (participates in β ladder)trans-122.3151.3177.7-67.4178.7172.5175.80109.5K44 F89 M90 Q92K44-K46 HydrophobicContact CG-CG 4.35Å; K46-F89 CarbonylContact O-C 3.46Å; K46-F89 VanDerWaalsContact O-CA 3.29Å; K46-F89 WeakPolarHBondContact O-CA 3.45Å; K46-M90 HydrophobicContact CB-CB 4.44Å; K46-M90 HydrophobicContact CB-CE 4.41Å; K46-M90 HydrophobicContact CD-CE 3.79Å; K46-M90 PolarHBondContact N-O 3.13Å; K46-M90 PolarHBondContact O-N 2.92Å; K46-Q92 HydrophobicContact CD-CG 4.44Å
47T97Very high96.4Very high34 Ų3460.2 Ų60.221%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-133.5153.2176.3177.50000111M49 P50 Y53 K88 F89T47-M49 PolarHBondContact OG1-N 3.43Å; T47-P50 HydrophobicContact CG2-CB 4.07Å; T47-Y53 HydrophobicContact CG2-CD2 4.39Å; T47-K88 VanDerWaalsContact CA-O 3.3Å; T47-K88 WeakPolarHBondContact CA-O 3.33Å; T47-K88 PolarHBondContact OG1-O 3.01Å; T47-F89 HydrophobicContact CG2-CE1 4.2Å; T47-F89 HydrophobicContact CG2-CZ 4.4Å
48T96.1Very high96.4Very high83 Ų8360 Ų6051%0.50931%0.313SS..SBendtrans-73.1-15.1171.756.10000113.1K88T48-K88 HydrophobicContact CG2-CB 4.05Å; T48-K88 PolarHBondContact N-O 2.82Å; T48-K88 PolarHBondContact OG1-N 3.35Å
49M94.6Very high96.5Very high76 Ų7657.1 Ų57.137%0.37430%0.297SS..  trans-134.362.6-175.1-73.3-64.8-71.500112.9T47 K51 C52 Y53 H87T47-M49 PolarHBondContact OG1-N 3.43Å; M49-K51 PolarHBondContact O-N 2.76Å; M49-C52 HydrophobicContact CB-CB 4.47Å; M49-C52 PolarHBondContact O-N 3.17Å; M49-Y53 HydrophobicContact CB-CD2 4.44Å; M49-Y53 HydrophobicContact CB-CE2 4.08Å; M49-Y53 VanDerWaalsContact O-CD2 3.25Å; M49-Y53 WeakPolarHBondContact O-CD2 3.3Å; M49-H87 VanDerWaalsContact CG-CD2 3.46Å; M49-H87 WeakPolarHBondContact CG-CD2 3.39Å
50P94.8Very high96.6Very high92 Ų9253.4 Ų53.460%0.59729%0.288SS*.G310 helixtrans-58.9-26.3-170.723.6-34.9000115T47 C52 Y53T47-P50 HydrophobicContact CG2-CB 4.07Å; P50-C52 VanDerWaalsContact C-N 3.26Å; P50-C52 PolarHBondContact O-N 3.45Å; P50-Y53 PolarHBondContact O-N 3.48Å
51K94Very high96.7Very high201 Ų20154.9 Ų54.987%0.87429%0.292SS*.G310 helixtrans-68.2-24.6178-66.3-175.5179.3-179.10113.4M49M49-K51 PolarHBondContact O-N 2.76Å
52C94.6Very high96.7Very high37 Ų3754.9 Ų54.925%0.2529%0.292CS..G310 helixtrans-90.5-9-176.2-58.90000113M49 P50 L74 Q75M49-C52 HydrophobicContact CB-CB 4.47Å; M49-C52 PolarHBondContact O-N 3.17Å; P50-C52 VanDerWaalsContact C-N 3.26Å; P50-C52 PolarHBondContact O-N 3.45Å; C52-L74 HydrophobicContact CB-CD1 4.41Å; C52-Q75 WeakPolarHBondContact O-CB 3.44Å; C52-Q75 WeakPolarHBondContact O-CG 3.49Å; C52-Q75 PolarHBondContact O-N 3.38Å
53Y97.7Very high96.7Very high18 Ų1858.4 Ų58.47%0.07131%0.308CS..EExtended strand (participates in β ladder)trans-132.7140.5-170.1-60.7-82.7000112.5F19 T47 M49 P50 V72 M73 L74 F85 H87 F89F19-Y53 HydrophobicContact CE1-CE1 4.2Å; F19-Y53 HydrophobicContact CE2-CE1 4.07Å; F19-Y53 HydrophobicContact CZ-CD1 4.24Å; F19-Y53 AromaticContact CZ-CE1 3.7Å; F19-Y53 HydrophobicContact CZ-CE1 3.7Å; T47-Y53 HydrophobicContact CG2-CD2 4.39Å; M49-Y53 HydrophobicContact CB-CD2 4.44Å; M49-Y53 HydrophobicContact CB-CE2 4.08Å; M49-Y53 VanDerWaalsContact O-CD2 3.25Å; M49-Y53 WeakPolarHBondContact O-CD2 3.3Å; P50-Y53 PolarHBondContact O-N 3.48Å; Y53-V72 HydrophobicContact CD1-CG1 3.95Å; Y53-M73 CarbonylContact C-O 3.58Å; Y53-M73 WeakPolarHBondContact CA-O 3.3Å; Y53-L74 HydrophobicContact CD1-CB 4.17Å; Y53-L74 HydrophobicContact CD1-CD1 4.07Å; Y53-L74 HydrophobicContact CE1-CB 3.99Å; Y53-L74 HydrophobicContact CE1-CD1 3.54Å; Y53-L74 HydrophobicContact CE1-CG 4.3Å; Y53-F85 WeakPolarHBondContact OH-CZ 3.49Å; Y53-H87 HydrophobicContact CE2-CB 4.21Å; Y53-H87 AromaticContact CE2-ND1 3.49Å; Y53-H87 WeakPolarHBondContact CE2-ND1 3.3Å; Y53-H87 AromaticContact CZ-ND1 3.59Å; Y53-H87 WeakPolarHBondContact OH-CB 3.47Å; Y53-H87 PolarHBondContact OH-ND1 2.98Å; Y53-F89 HydrophobicContact CD1-CE2 4.02Å; Y53-F89 AromaticContact CD1-CZ 3.75Å; Y53-F89 HydrophobicContact CD1-CZ 3.75Å; Y53-F89 HydrophobicContact CD2-CE2 4.21Å; Y53-F89 AromaticContact CD2-CZ 3.9Å; Y53-F89 HydrophobicContact CD2-CZ 3.9Å; Y53-F89 AromaticContact CE1-CE2 3.92Å; Y53-F89 HydrophobicContact CE1-CE2 3.92Å; Y53-F89 HydrophobicContact CE1-CZ 4.15Å; Y53-F89 HydrophobicContact CE2-CE2 4.15Å; Y53-F89 HydrophobicContact CE2-CZ 4.32Å; Y53-F89 HydrophobicContact CG-CE2 4.16Å; Y53-F89 AromaticContact CG-CZ 3.62Å; Y53-F89 HydrophobicContact CG-CZ 3.62Å
54C97.6Very high96.7Very high44 Ų4460.8 Ų60.830%0.29732%0.324SS..EExtended strand (participates in β ladder)trans-105.6136159.3-172.60000108.6M73C54-M73 HydrophobicContact CB-CB 4.11Å; C54-M73 HydrophobicContact CB-CE 3.78Å; C54-M73 HydrophobicContact CB-SD 4.44Å; C54-M73 PolarHBondContact N-O 3.23Å; C54-M73 PolarHBondContact O-N 2.89Å; C54-M73 VanDerWaalsContact SG-CE 3.53Å
55V98.5Very high96.7Very high26 Ų2662.8 Ų62.816%0.15833%0.334CS..EExtended strand (participates in β ladder)trans-126.4126.8-179.1-175.20000109.4V45 V70 A71 V72 F89V45-V55 HydrophobicContact CB-CG1 4.1Å; V45-V55 HydrophobicContact CG1-CG1 3.96Å; V45-V55 HydrophobicContact CG2-CG1 4.5Å; V55-V70 HydrophobicContact CG1-CG1 3.46Å; V55-V70 VanDerWaalsContact CG1-CG1 3.46Å; V55-A71 CarbonylContact C-O 3.54Å; V55-A71 WeakPolarHBondContact CA-O 3.48Å; V55-V72 HydrophobicContact CG1-CG2 4.48Å; V55-V72 HydrophobicContact CG2-CG1 4.43Å; V55-F89 HydrophobicContact CG2-CE1 3.72Å; V55-F89 HydrophobicContact CG2-CZ 4.36Å
56K97.8Very high96.7Very high130 Ų13066 Ų6657%0.56535%0.348SS*.EExtended strand (participates in β ladder)trans-138.2122.3-178.5-69.9-176.4-175.6172.90111.7A71 M73K56-A71 PolarHBondContact N-O 2.86Å; K56-A71 PolarHBondContact O-N 3.45Å; K56-M73 HydrophobicContact CB-CE 4Å; K56-M73 HydrophobicContact CD-CE 3.75Å; K56-M73 HydrophobicContact CG-CE 3.68Å
57P98Very high96.8Very high58 Ų5864.9 Ų64.938%0.37735%0.348SS..SBendcis-68.1142.6-18.429.5-34.9000111.7F43 I68 V70F43-P57 HydrophobicContact CE2-CG 4.4Å; F43-P57 HydrophobicContact CZ-CB 4.17Å; F43-P57 HydrophobicContact CZ-CG 3.82Å; P57-I68 HydrophobicContact CG-CD1 4.32Å; P57-V70 HydrophobicContact CG-CG2 4.39Å; P57-V70 WeakPolarHBondContact O-CG1 3.23Å
58S96.8Very high96.9Very high51 Ų5164.6 Ų64.636%0.35735%0.345SS..SBendtrans-83.2-21176.864.90000113.6V45V45-S58 PolarHBondContact N-O 3.2Å
59N97.1Very high97Very high70 Ų7066.2 Ų66.237%0.37435%0.347SS..EExtended strand (participates in β ladder)trans-160.1161.7178.269102.6000109.7F43 K44 T104F43-N59 VanDerWaalsContact O-CA 3.22Å; F43-N59 WeakPolarHBondContact O-CA 3.43Å; F43-N59 WeakPolarHBondContact O-CB 3.42Å; K44-N59 HydrophobicContact CB-CB 4.34Å; K44-N59 HydrophobicContact CG-CB 4.33Å; N59-T104 HydrophobicContact CB-CG2 4.37Å; N59-T104 VanDerWaalsContact OD1-CG2 3.32Å; N59-T104 WeakPolarHBondContact OD1-CG2 3.39Å
60G96.6Very high97.2Very high16 Ų1662.6 Ų62.617%0.16533%0.329CS..EExtended strand (participates in β ladder)trans160.6-160.4177.500000111.9G42 F43G42-G60 CarbonylContact C-O 3.5Å; G42-G60 WeakPolarHBondContact CA-O 3.38Å; F43-G60 WeakPolarHBondContact CD1-O 3.21Å; F43-G60 VanDerWaalsContact CE1-C 3.42Å; F43-G60 PolarHBondContact N-O 3.42Å; F43-G60 PolarHBondContact O-N 3.23Å; F43-G60 VanDerWaalsContact O-N 3.11Å
61Y96.6Very high97.4Very high44 Ų4459.1 Ų59.117%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-112.1149.3171.7-71.9-78.6000110.3V41 A96 R101 P102 L107V41-Y61 CarbonylContact O-C 3.52Å; V41-Y61 WeakPolarHBondContact O-CA 3.48Å; Y61-A96 HydrophobicContact CD1-CB 4.24Å; Y61-A96 HydrophobicContact CE1-CB 3.73Å; Y61-R101 HydrophobicContact CE2-CG 4.48Å; Y61-P102 PolarHBondContact OH-O 3.28Å; Y61-L107 HydrophobicContact CE1-CD2 3.74Å
62I97.4Very high97.6Very high0 Ų049.5 Ų49.50%027%0.266CS..EExtended strand (participates in β ladder)trans-114.5121.3166.8-52.5173.6000106L9 L33 N35 A40 V41 F43 Q66 I68L9-I62 HydrophobicContact CD1-CD1 4.02Å; L9-I62 HydrophobicContact CD2-CD1 3.98Å; L33-I62 HydrophobicContact CB-CD1 3.54Å; L33-I62 HydrophobicContact CD1-CD1 4.19Å; N35-I62 HydrophobicContact CB-CB 4.07Å; N35-I62 HydrophobicContact CB-CG2 3.51Å; N35-I62 PolarHBondContact ND2-O 2.85Å; A40-I62 WeakPolarHBondContact CA-O 3.5Å; V41-I62 PolarHBondContact N-O 3.37Å; V41-I62 PolarHBondContact O-N 2.84Å; F43-I62 HydrophobicContact CD1-CD1 3.98Å; F43-I62 HydrophobicContact CD1-CG1 3.67Å; F43-I62 HydrophobicContact CE1-CG1 4Å; F43-I62 HydrophobicContact CG-CD1 4.38Å; I62-Q66 HydrophobicContact CG2-CB 3.99Å; I62-Q66 VanDerWaalsContact CG2-O 3.27Å; I62-Q66 WeakPolarHBondContact CG2-O 3.41Å; I62-I68 HydrophobicContact CD1-CD1 3.85Å; I62-I68 HydrophobicContact CD1-CG1 3.8Å; I62-I68 HydrophobicContact CG1-CD1 3.68Å; I62-I68 HydrophobicContact CG1-CG1 3.87Å; I62-I68 HydrophobicContact CG1-CG2 4.41Å; I62-I68 HydrophobicContact CG2-CG2 4.44Å
63E96.8Very high97.7Very high74 Ų7449.2 Ų49.235%0.34626%0.262SS..  trans-67.6163.4179.3-62.5-56.7160.900111.7N35 H65 Q66 R101N35-E63 PolarHBondContact ND2-O 3.37Å; E63-H65 PolarHBondContact O-N 2.93Å; E63-Q66 HydrophobicContact CB-CB 4.08Å; E63-Q66 VanDerWaalsContact CB-OE1 3.25Å; E63-Q66 WeakPolarHBondContact O-CB 3.45Å; E63-Q66 PolarHBondContact O-N 3.34Å; E63-Q66 VanDerWaalsContact O-N 3.12Å; E63-R101 IonicContact OE1-CZ 3.37Å; E63-R101 VanDerWaalsContact OE1-CZ 3.22Å; E63-R101 IonicContact OE1-NH1 3.98Å; E63-R101 PolarHBondContact OE1-NH1 3.31Å; E63-R101 IonicContact OE1-NH2 3.48Å; E63-R101 PolarHBondContact OE1-NH2 2.87Å; E63-R101 IonicContact OE2-CZ 2.68Å; E63-R101 IonicContact OE2-NH1 3.76Å; E63-R101 IonicContact OE2-NH2 3.32Å; E63-R101 PolarHBondContact OE2-NH2 2.7Å
64P97Very high97.7Very high51 Ų5148.5 Ų48.533%0.33126%0.259SS..THydrogen-bonded Turntrans-49133172.4-29.737.1000112.3L37 D38 Q66L37-P64 VanDerWaalsContact O-CA 3.23Å; L37-P64 WeakPolarHBondContact O-CA 3.4Å; L37-P64 WeakPolarHBondContact O-CB 3.46Å; D38-P64 WeakPolarHBondContact O-CG 3.28Å; P64-Q66 PolarHBondContact O-N 2.93Å
65H97.7Very high97.7Very high116 Ų11649.9 Ų49.954%0.53726%0.261SS..THydrogen-bonded Turntrans57.212.8-180-54.3-62.4000115.7N35 P36 L37 D38 E63N35-H65 WeakPolarHBondContact O-CA 3.22Å; N35-H65 PolarHBondContact O-N 3.49Å; N35-H65 VanDerWaalsContact O-N 3.13Å; P36-H65 PolarHBondContact O-CE1 3.45Å; L37-H65 PolarHBondContact O-N 2.87Å; D38-H65 IonicContact OD1-CD2 2.78Å; D38-H65 IonicContact OD1-CE1 2.89Å; D38-H65 IonicContact OD1-NE2 2.89Å; D38-H65 PolarHBondContact OD1-NE2 2.92Å; E63-H65 PolarHBondContact O-N 2.93Å
66Q98.2Very high97.5Very high82 Ų8251.6 Ų51.638%0.38327%0.273SS..  trans-88.9149179.6-167-178.66.300111.2N35 I62 E63 P64N35-Q66 PolarHBondContact N-O 3.26Å; I62-Q66 HydrophobicContact CG2-CB 3.99Å; I62-Q66 VanDerWaalsContact CG2-O 3.27Å; I62-Q66 WeakPolarHBondContact CG2-O 3.41Å; E63-Q66 HydrophobicContact CB-CB 4.08Å; E63-Q66 VanDerWaalsContact CB-OE1 3.25Å; E63-Q66 WeakPolarHBondContact O-CB 3.45Å; E63-Q66 PolarHBondContact O-N 3.34Å; E63-Q66 VanDerWaalsContact O-N 3.12Å; P64-Q66 PolarHBondContact O-N 2.93Å
67T98.4Very high97.3Very high60 Ų6048.7 Ų48.737%0.36826%0.26SS..EExtended strand (participates in β ladder)trans-113.7136.6165.9-53.90000110.3K32 L33 T34K32-T67 HydrophobicContact CD-CG2 3.9Å; K32-T67 HydrophobicContact CG-CG2 3.31Å; L33-T67 WeakPolarHBondContact O-CA 3.49Å; T34-T67 WeakPolarHBondContact CG2-OG1 3.38Å; T34-T67 WeakPolarHBondContact OG1-CG2 3.22Å; T34-T67 PolarHBondContact OG1-OG1 3.25Å
68I98.3Very high96.8Very high28 Ų2851.5 Ų51.514%0.14428%0.281CS..EExtended strand (participates in β ladder)trans-120.3156.4168.966.8164.6000110.2K32 L33 F43 P57 I62 V70K32-I68 WeakPolarHBondContact CA-O 3.29Å; L33-I68 HydrophobicContact CB-CG1 3.93Å; L33-I68 HydrophobicContact CD1-CD1 4.32Å; L33-I68 PolarHBondContact N-O 3.38Å; L33-I68 PolarHBondContact O-N 3.28Å; F43-I68 HydrophobicContact CD1-CD1 4.03Å; F43-I68 HydrophobicContact CE1-CD1 3.31Å; F43-I68 HydrophobicContact CE2-CD1 3.99Å; F43-I68 HydrophobicContact CZ-CD1 3.3Å; P57-I68 HydrophobicContact CG-CD1 4.32Å; I62-I68 HydrophobicContact CD1-CD1 3.85Å; I62-I68 HydrophobicContact CD1-CG1 3.8Å; I62-I68 HydrophobicContact CG1-CD1 3.68Å; I62-I68 HydrophobicContact CG1-CG1 3.87Å; I62-I68 HydrophobicContact CG1-CG2 4.41Å; I62-I68 HydrophobicContact CG2-CG2 4.44Å; I68-V70 HydrophobicContact CD1-CG2 4.26Å
69E98.3Very high96.2Very high117 Ų11753 Ų5355%0.54728%0.279SS..EExtended strand (participates in β ladder)trans-112.9126.6173.3-167.6176.6-102.500109.5Y30Y30-E69 HydrophobicContact CD1-CG 3.64Å; Y30-E69 WeakPolarHBondContact CD1-OE2 3.35Å; Y30-E69 HydrophobicContact CG-CG 4.08Å
70V98.5Very high95.4Very high0 Ų052.6 Ų52.60%028%0.278CS..EExtended strand (participates in β ladder)trans-102.3113.1177177.20000108.6Y30 I31 L33 F43 V45 V55 P57 I68 V72Y30-V70 WeakPolarHBondContact CA-O 3.43Å; I31-V70 HydrophobicContact CB-CB 4.3Å; I31-V70 PolarHBondContact N-O 3.36Å; I31-V70 PolarHBondContact O-N 3.36Å; L33-V70 HydrophobicContact CD1-CG2 3.86Å; L33-V70 HydrophobicContact CG-CG2 4.34Å; F43-V70 HydrophobicContact CE2-CG2 4.17Å; V45-V70 HydrophobicContact CG2-CG1 4.32Å; V55-V70 HydrophobicContact CG1-CG1 3.46Å; V55-V70 VanDerWaalsContact CG1-CG1 3.46Å; P57-V70 HydrophobicContact CG-CG2 4.39Å; P57-V70 WeakPolarHBondContact O-CG1 3.23Å; I68-V70 HydrophobicContact CD1-CG2 4.26Å; V70-V72 HydrophobicContact CG1-CG2 4.32Å
71A98.5Very high94.4Very high18 Ų1853.4 Ų53.415%0.14928%0.282CS..EExtended strand (participates in β ladder)trans-77.6119.817200000110.1T28 Y30 V55 K56T28-A71 HydrophobicContact CG2-CB 4.04Å; Y30-A71 HydrophobicContact CD1-CB 4.02Å; Y30-A71 HydrophobicContact CE1-CB 3.74Å; V55-A71 CarbonylContact C-O 3.54Å; V55-A71 WeakPolarHBondContact CA-O 3.48Å; K56-A71 PolarHBondContact N-O 2.86Å; K56-A71 PolarHBondContact O-N 3.45Å
72V98.5Very high93.1Very high0 Ų055.4 Ų55.40%031%0.308CS..EExtended strand (participates in β ladder)trans-107.6108.4172.6-1740000107.9L17 F19 T28 S29 I31 Y53 V55 V70 F89L17-V72 HydrophobicContact CD2-CB 3.89Å; L17-V72 HydrophobicContact CD2-CG1 3.92Å; L17-V72 HydrophobicContact CD2-CG2 3.89Å; F19-V72 HydrophobicContact CE1-CB 4.47Å; F19-V72 HydrophobicContact CE1-CG1 4.1Å; F19-V72 WeakPolarHBondContact CE1-O 3.3Å; F19-V72 HydrophobicContact CZ-CB 4.28Å; F19-V72 HydrophobicContact CZ-CG1 3.68Å; T28-V72 WeakPolarHBondContact CA-O 3.27Å; S29-V72 PolarHBondContact N-O 2.86Å; S29-V72 PolarHBondContact O-N 3.07Å; I31-V72 HydrophobicContact CD1-CG2 3.81Å; I31-V72 HydrophobicContact CG1-CG2 4.18Å; Y53-V72 HydrophobicContact CD1-CG1 3.95Å; V55-V72 HydrophobicContact CG1-CG2 4.48Å; V55-V72 HydrophobicContact CG2-CG1 4.43Å; V70-V72 HydrophobicContact CG1-CG2 4.32Å; V72-F89 HydrophobicContact CG1-CE1 3.87Å; V72-F89 HydrophobicContact CG1-CE2 3.81Å; V72-F89 HydrophobicContact CG1-CZ 3.33Å
73M98.2Very high92.1Very high31 Ų3161.6 Ų61.615%0.15334%0.337CS..EExtended strand (participates in β ladder)trans-102.8105-175.6-67.2160.7-78.800109.6V26 V27 T28 Y53 C54 K56 Q75V26-M73 HydrophobicContact CG1-CB 3.7Å; V26-M73 HydrophobicContact CG1-CG 4.1Å; V27-M73 CarbonylContact O-C 3.59Å; V27-M73 WeakPolarHBondContact O-CA 3.34Å; T28-M73 HydrophobicContact CG2-CG 4Å; T28-M73 WeakPolarHBondContact OG1-CG 3.29Å; Y53-M73 CarbonylContact C-O 3.58Å; Y53-M73 WeakPolarHBondContact CA-O 3.3Å; C54-M73 HydrophobicContact CB-CB 4.11Å; C54-M73 HydrophobicContact CB-CE 3.78Å; C54-M73 HydrophobicContact CB-SD 4.44Å; C54-M73 PolarHBondContact N-O 3.23Å; C54-M73 PolarHBondContact O-N 2.89Å; C54-M73 VanDerWaalsContact SG-CE 3.53Å; K56-M73 HydrophobicContact CB-CE 4Å; K56-M73 HydrophobicContact CD-CE 3.75Å; K56-M73 HydrophobicContact CG-CE 3.68Å; M73-Q75 PolarHBondContact O-NE2 2.95Å
74L97.5Very high90.9Very high3 Ų366.8 Ų66.82%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-70.9124.8170.3175.861.9000109.1F19 F23 V26 V27 C52 Y53 F77 L125F19-L74 HydrophobicContact CB-CD2 3.98Å; F19-L74 HydrophobicContact CD1-CB 3.56Å; F19-L74 HydrophobicContact CD1-CD2 4.07Å; F19-L74 HydrophobicContact CD1-CG 4.48Å; F19-L74 HydrophobicContact CE1-CB 3.7Å; F19-L74 HydrophobicContact CG-CB 4.28Å; F19-L74 HydrophobicContact CG-CD2 3.97Å; F23-L74 HydrophobicContact CD1-CD2 3.95Å; F23-L74 HydrophobicContact CE1-CD2 4.27Å; V26-L74 WeakPolarHBondContact CA-O 3.42Å; V27-L74 HydrophobicContact CB-CB 4.47Å; V27-L74 PolarHBondContact N-O 2.95Å; V27-L74 VanDerWaalsContact N-O 3.11Å; V27-L74 PolarHBondContact O-N 3.26Å; C52-L74 HydrophobicContact CB-CD1 4.41Å; Y53-L74 HydrophobicContact CD1-CB 4.17Å; Y53-L74 HydrophobicContact CD1-CD1 4.07Å; Y53-L74 HydrophobicContact CE1-CB 3.99Å; Y53-L74 HydrophobicContact CE1-CD1 3.54Å; Y53-L74 HydrophobicContact CE1-CG 4.3Å; L74-F77 HydrophobicContact CD1-CE1 4.5Å; L74-F77 HydrophobicContact CD2-CE1 4.06Å; L74-F77 HydrophobicContact CG-CE1 4.45Å; L74-L125 HydrophobicContact CD2-CD2 3.64Å
75Q96.8Very high90.2Very high72 Ų7266.5 Ų66.534%0.33635%0.352SS..PPolyproline II helixtrans-74149.8178-61-55.7-73.300110.8C52 M73C52-Q75 WeakPolarHBondContact O-CB 3.44Å; C52-Q75 WeakPolarHBondContact O-CG 3.49Å; C52-Q75 PolarHBondContact O-N 3.38Å; M73-Q75 PolarHBondContact O-NE2 2.95Å
76P95.2Very high89.7Confident63 Ų6366.2 Ų66.241%0.40936%0.355SS..PPolyproline II helixtrans-53.7142.3176.4-24.832.4000112.6F23 V24 V26F23-P76 WeakPolarHBondContact O-CA 3.39Å; V24-P76 WeakPolarHBondContact O-CB 3.23Å; V26-P76 HydrophobicContact CG2-CG 4.37Å
77F91.9Very high89.5Confident69 Ų6963.6 Ų63.630%0.30334%0.342SS..  trans-157.5161.3173.673.4-71.7000111.3F23 L74 Y79 F85 L125F23-F77 HydrophobicContact CB-CD1 3.95Å; F23-F77 HydrophobicContact CB-CE1 3.53Å; F23-F77 HydrophobicContact CB-CZ 4.21Å; F23-F77 HydrophobicContact CD1-CE1 4.2Å; F23-F77 HydrophobicContact CD2-CE1 4.28Å; F23-F77 HydrophobicContact CD2-CZ 4.25Å; F23-F77 AromaticContact CG-CE1 3.74Å; F23-F77 HydrophobicContact CG-CE1 3.74Å; F23-F77 HydrophobicContact CG-CZ 4.17Å; F23-F77 PolarHBondContact O-N 2.67Å; L74-F77 HydrophobicContact CD1-CE1 4.5Å; L74-F77 HydrophobicContact CD2-CE1 4.06Å; L74-F77 HydrophobicContact CG-CE1 4.45Å; F77-Y79 HydrophobicContact CE2-CD2 4.03Å; F77-Y79 AromaticContact CZ-CD2 3.88Å; F77-Y79 HydrophobicContact CZ-CD2 3.88Å; F77-Y79 PolarHBondContact O-N 3.44Å; F77-Y79 VanDerWaalsContact O-N 3.12Å; F77-F85 HydrophobicContact CZ-CE2 4.5Å; F77-L125 HydrophobicContact CE1-CD1 4.44Å; F77-L125 HydrophobicContact CZ-CD1 3.67Å
78S88Confident89.3Confident117 Ų11764.6 Ų64.682%0.81834%0.342SS*.  trans-74.4101.5173.1-570000109.8N80S78-N80 PolarHBondContact O-N 3.15Å
79Y83.7Confident89.3Confident81 Ų8163.3 Ų63.332%0.31834%0.335SS..  trans-64.4128.7179.2-179.2-114000112F23 F77 A81 L125 E130F23-Y79 AromaticContact CD2-CD2 3.89Å; F23-Y79 HydrophobicContact CD2-CD2 3.89Å; F23-Y79 AromaticContact CD2-CG 3.85Å; F23-Y79 HydrophobicContact CD2-CG 3.85Å; F23-Y79 AromaticContact CE2-CD2 3.98Å; F23-Y79 HydrophobicContact CE2-CD2 3.98Å; F23-Y79 HydrophobicContact CE2-CE2 4.28Å; F23-Y79 HydrophobicContact CE2-CG 4.16Å; F77-Y79 HydrophobicContact CE2-CD2 4.03Å; F77-Y79 AromaticContact CZ-CD2 3.88Å; F77-Y79 HydrophobicContact CZ-CD2 3.88Å; F77-Y79 PolarHBondContact O-N 3.44Å; F77-Y79 VanDerWaalsContact O-N 3.12Å; Y79-A81 HydrophobicContact CE1-CB 4.13Å; Y79-L125 HydrophobicContact CD2-CD1 3.91Å; Y79-L125 HydrophobicContact CE2-CB 4.5Å; Y79-L125 HydrophobicContact CE2-CD1 3.69Å; Y79-E130 PolarHBondContact OH-OE2 2.85Å
80N81.3Confident89.2Confident63 Ų6359.7 Ų59.734%0.33732%0.319SS..  trans-130.4108.3174.9-177.52.1000109.4S78 A82 E83S78-N80 PolarHBondContact O-N 3.15Å; N80-A82 PolarHBondContact O-N 3.07Å; N80-A82 VanDerWaalsContact O-N 3.09Å; N80-A82 WeakPolarHBondContact OD1-CB 3.47Å; N80-A82 PolarHBondContact OD1-N 3.48Å; N80-A82 VanDerWaalsContact OD1-N 3.13Å; N80-E83 HydrophobicContact CB-CB 4.33Å; N80-E83 HydrophobicContact CB-CG 4.07Å; N80-E83 PolarHBondContact ND2-OE1 3.19Å; N80-E83 WeakPolarHBondContact O-CB 3.38Å; N80-E83 PolarHBondContact O-N 2.87Å
81A74.7Confident89.2Confident32 Ų3259.7 Ų59.726%0.26432%0.319SS..THydrogen-bonded Turntrans-59.7-20.6179.900000113.9Y79 E83Y79-A81 HydrophobicContact CE1-CB 4.13Å; A81-E83 VanDerWaalsContact C-N 3.29Å
82A70.7Confident89.1Confident87 Ų8759.5 Ų59.572%0.71932%0.315SS*.THydrogen-bonded Turntrans-76.6-17.6174.900000113N80N80-A82 PolarHBondContact O-N 3.07Å; N80-A82 VanDerWaalsContact O-N 3.09Å; N80-A82 WeakPolarHBondContact OD1-CB 3.47Å; N80-A82 PolarHBondContact OD1-N 3.48Å; N80-A82 VanDerWaalsContact OD1-N 3.13Å
83E76Confident89Confident130 Ų13059.5 Ų59.561%0.60732%0.315SS*.SBendtrans-84.7131.2-179.6-75.1176.2-146.800111.3N80 A81 F85N80-E83 HydrophobicContact CB-CB 4.33Å; N80-E83 HydrophobicContact CB-CG 4.07Å; N80-E83 PolarHBondContact ND2-OE1 3.19Å; N80-E83 WeakPolarHBondContact O-CB 3.38Å; N80-E83 PolarHBondContact O-N 2.87Å; A81-E83 VanDerWaalsContact C-N 3.29Å; E83-F85 PolarHBondContact O-N 3.17Å
84K70.5Confident88.8Confident182 Ų18258.2 Ų58.279%0.79131%0.308SS*.  trans-72101.6-177.9-70.1-175.5178.71760111.2N86K84-N86 PolarHBondContact O-N 3.11Å; K84-N86 VanDerWaalsContact O-N 3.17Å
85F82.5Confident88.7Confident46 Ų4660.2 Ų60.220%0.20232%0.321CS..  trans-81.790.2173-161.9-94.9000111.6Y53 F77 E83 H87 C123 L125Y53-F85 WeakPolarHBondContact OH-CZ 3.49Å; F77-F85 HydrophobicContact CZ-CE2 4.5Å; E83-F85 PolarHBondContact O-N 3.17Å; F85-H87 AromaticContact CD2-CE1 3.76Å; F85-H87 HydrophobicContact CE1-CB 4.23Å; F85-H87 AromaticContact CE2-CE1 3.3Å; F85-H87 WeakPolarHBondContact CE2-CE1 3.37Å; F85-H87 AromaticContact CE2-ND1 3.32Å; F85-H87 VanDerWaalsContact CE2-ND1 3.32Å; F85-H87 WeakPolarHBondContact CE2-ND1 3.29Å; F85-H87 HydrophobicContact CZ-CB 4.35Å; F85-H87 AromaticContact CZ-CE1 3.89Å; F85-H87 AromaticContact CZ-CG 3.97Å; F85-H87 AromaticContact CZ-ND1 3.39Å; F85-H87 WeakPolarHBondContact CZ-ND1 3.42Å; F85-C123 HydrophobicContact CD1-CB 4.37Å; F85-C123 HydrophobicContact CE1-CB 3.52Å; F85-C123 HydrophobicContact CZ-CB 4.32Å; F85-L125 HydrophobicContact CB-CD1 4.24Å; F85-L125 HydrophobicContact CD1-CD1 3.95Å; F85-L125 HydrophobicContact CD1-CD2 4.23Å; F85-L125 HydrophobicContact CD1-CG 3.57Å; F85-L125 HydrophobicContact CD2-CD1 3.4Å; F85-L125 HydrophobicContact CD2-CG 3.97Å; F85-L125 HydrophobicContact CE1-CD1 4.02Å; F85-L125 HydrophobicContact CE1-CD2 3.56Å; F85-L125 HydrophobicContact CE1-CG 3.45Å; F85-L125 VanDerWaalsContact CE1-CG 3.45Å; F85-L125 HydrophobicContact CE2-CD1 3.5Å; F85-L125 HydrophobicContact CE2-CD2 3.97Å; F85-L125 HydrophobicContact CE2-CG 3.87Å; F85-L125 HydrophobicContact CG-CD1 3.6Å; F85-L125 HydrophobicContact CG-CG 3.79Å; F85-L125 HydrophobicContact CZ-CD1 3.79Å; F85-L125 HydrophobicContact CZ-CD2 3.39Å; F85-L125 HydrophobicContact CZ-CG 3.59Å
86N87Confident88.5Confident109 Ų10956.9 Ų56.958%0.58331%0.305SS*.  trans-114.832-176.7-71.9-51.8000113K84K84-N86 PolarHBondContact O-N 3.11Å; K84-N86 VanDerWaalsContact O-N 3.17Å
87H94.4Very high88.2Confident27 Ų2756.9 Ų56.913%0.12531%0.305CS..  trans-69.6145.8-175.5-58.5177.4000110.6M49 Y53 F85 C123M49-H87 VanDerWaalsContact CG-CD2 3.46Å; M49-H87 WeakPolarHBondContact CG-CD2 3.39Å; Y53-H87 HydrophobicContact CE2-CB 4.21Å; Y53-H87 AromaticContact CE2-ND1 3.49Å; Y53-H87 WeakPolarHBondContact CE2-ND1 3.3Å; Y53-H87 AromaticContact CZ-ND1 3.59Å; Y53-H87 WeakPolarHBondContact OH-CB 3.47Å; Y53-H87 PolarHBondContact OH-ND1 2.98Å; F85-H87 AromaticContact CD2-CE1 3.76Å; F85-H87 HydrophobicContact CE1-CB 4.23Å; F85-H87 AromaticContact CE2-CE1 3.3Å; F85-H87 WeakPolarHBondContact CE2-CE1 3.37Å; F85-H87 AromaticContact CE2-ND1 3.32Å; F85-H87 VanDerWaalsContact CE2-ND1 3.32Å; F85-H87 WeakPolarHBondContact CE2-ND1 3.29Å; F85-H87 HydrophobicContact CZ-CB 4.35Å; F85-H87 AromaticContact CZ-CE1 3.89Å; F85-H87 AromaticContact CZ-CG 3.97Å; F85-H87 AromaticContact CZ-ND1 3.39Å; F85-H87 WeakPolarHBondContact CZ-ND1 3.42Å; H87-C123 HydrophobicContact CB-CB 3.99Å; H87-C123 PolarHBondContact O-N 2.84Å
88K95.6Very high87.6Confident82 Ų8258.9 Ų58.936%0.35732%0.319SS..EExtended strand (participates in β ladder)trans-135.4143.5-179.7-56-178.7-169.6-1770110.7T47 T48 L121 F122T47-K88 VanDerWaalsContact CA-O 3.3Å; T47-K88 WeakPolarHBondContact CA-O 3.33Å; T47-K88 PolarHBondContact OG1-O 3.01Å; T48-K88 HydrophobicContact CG2-CB 4.05Å; T48-K88 PolarHBondContact N-O 2.82Å; T48-K88 PolarHBondContact OG1-N 3.35Å; K88-L121 CarbonylContact C-O 3.57Å; K88-L121 VanDerWaalsContact CA-O 3.32Å; K88-L121 WeakPolarHBondContact CA-O 3.34Å; K88-F122 HydrophobicContact CD-CD1 4.16Å; K88-F122 HydrophobicContact CD-CE1 3.91Å; K88-F122 HydrophobicContact CD-CZ 4.45Å; K88-F122 HydrophobicContact CG-CD1 4.07Å; K88-F122 HydrophobicContact CG-CE1 4.33Å
89F97.5Very high87.1Confident1 Ų160.6 Ų60.60%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-104.1148.3166.3-79.9-94.1000110.6L17 V45 K46 T47 Y53 V55 V72 R120 L121 C123L17-F89 HydrophobicContact CD2-CD2 4.29Å; L17-F89 HydrophobicContact CD2-CE2 4.44Å; V45-F89 HydrophobicContact CG1-CD1 3.61Å; V45-F89 HydrophobicContact CG1-CE1 4.15Å; K46-F89 CarbonylContact O-C 3.46Å; K46-F89 VanDerWaalsContact O-CA 3.29Å; K46-F89 WeakPolarHBondContact O-CA 3.45Å; T47-F89 HydrophobicContact CG2-CE1 4.2Å; T47-F89 HydrophobicContact CG2-CZ 4.4Å; Y53-F89 HydrophobicContact CD1-CE2 4.02Å; Y53-F89 AromaticContact CD1-CZ 3.75Å; Y53-F89 HydrophobicContact CD1-CZ 3.75Å; Y53-F89 HydrophobicContact CD2-CE2 4.21Å; Y53-F89 AromaticContact CD2-CZ 3.9Å; Y53-F89 HydrophobicContact CD2-CZ 3.9Å; Y53-F89 AromaticContact CE1-CE2 3.92Å; Y53-F89 HydrophobicContact CE1-CE2 3.92Å; Y53-F89 HydrophobicContact CE1-CZ 4.15Å; Y53-F89 HydrophobicContact CE2-CE2 4.15Å; Y53-F89 HydrophobicContact CE2-CZ 4.32Å; Y53-F89 HydrophobicContact CG-CE2 4.16Å; Y53-F89 AromaticContact CG-CZ 3.62Å; Y53-F89 HydrophobicContact CG-CZ 3.62Å; V55-F89 HydrophobicContact CG2-CE1 3.72Å; V55-F89 HydrophobicContact CG2-CZ 4.36Å; V72-F89 HydrophobicContact CG1-CE1 3.87Å; V72-F89 HydrophobicContact CG1-CE2 3.81Å; V72-F89 HydrophobicContact CG1-CZ 3.33Å; F89-R120 CarbonylContact O-C 3.46Å; F89-R120 VanDerWaalsContact O-CA 3.25Å; F89-R120 WeakPolarHBondContact O-CA 3.42Å; F89-L121 PolarHBondContact N-O 3.43Å; F89-L121 PolarHBondContact O-N 3.36Å; F89-C123 WeakPolarHBondContact CD2-SG 3.36Å; F89-C123 WeakPolarHBondContact CE2-SG 3.49Å
90M96.6Very high87.1Confident41 Ų4162 Ų6220%0.20234%0.338CS..EExtended strand (participates in β ladder)trans-128.4121172.8-175.2171.370.300108.8K46 Q92 D118 S119 R120K46-M90 HydrophobicContact CB-CB 4.44Å; K46-M90 HydrophobicContact CB-CE 4.41Å; K46-M90 HydrophobicContact CD-CE 3.79Å; K46-M90 PolarHBondContact N-O 3.13Å; K46-M90 PolarHBondContact O-N 2.92Å; M90-Q92 HydrophobicContact CE-CG 3.85Å; M90-Q92 HydrophobicContact CG-CG 4.21Å; M90-D118 HydrophobicContact CG-CB 4.35Å; M90-D118 HydrophobicContact SD-CB 4.28Å; M90-S119 CarbonylContact C-O 3.48Å; M90-S119 VanDerWaalsContact CA-O 3.24Å; M90-S119 WeakPolarHBondContact CA-O 3.43Å; M90-R120 HydrophobicContact CB-CG 4.46Å; M90-R120 HydrophobicContact CG-CG 4.28Å
91I97.5Very high87.4Confident0 Ų063.9 Ų63.90%034%0.34CS..EExtended strand (participates in β ladder)trans-94.1111.4170.2-60.788.5000106.7I11 L33 D118 S119 L121I11-I91 HydrophobicContact CD1-CB 4.01Å; I11-I91 HydrophobicContact CD1-CD1 4.28Å; I11-I91 HydrophobicContact CD1-CG1 4.31Å; I11-I91 HydrophobicContact CD1-CG2 4.14Å; I11-I91 HydrophobicContact CG2-CD1 4.34Å; L33-I91 HydrophobicContact CD1-CG2 4.4Å; L33-I91 HydrophobicContact CD2-CG1 4.39Å; L33-I91 HydrophobicContact CD2-CG2 4.26Å; I91-D118 WeakPolarHBondContact O-CA 3.2Å; I91-S119 PolarHBondContact N-O 2.79Å; I91-S119 PolarHBondContact O-N 2.83Å; I91-L121 HydrophobicContact CD1-CD1 3.12Å
92Q96.1Very high88.1Confident14 Ų1463.3 Ų63.37%0.06533%0.334CS..EExtended strand (participates in β ladder)trans-93.4146.7168.9-54-156-74.900109.4F43 K44 K46 M90 W108 M117 D118F43-Q92 CarbonylContact C-O 3.55Å; F43-Q92 VanDerWaalsContact CA-O 3.27Å; F43-Q92 WeakPolarHBondContact CA-O 3.46Å; K44-Q92 PolarHBondContact N-O 2.85Å; K44-Q92 PolarHBondContact O-N 3.33Å; K46-Q92 HydrophobicContact CD-CG 4.44Å; M90-Q92 HydrophobicContact CE-CG 3.85Å; M90-Q92 HydrophobicContact CG-CG 4.21Å; Q92-W108 HydrophobicContact CB-CH2 4.11Å; Q92-W108 HydrophobicContact CB-CZ3 3.97Å; Q92-M117 CarbonylContact C-O 3.53Å; Q92-M117 WeakPolarHBondContact CA-O 3.42Å; Q92-D118 VanDerWaalsContact CG-OD1 3.22Å; Q92-D118 WeakPolarHBondContact CG-OD1 3.26Å; Q92-D118 PolarHBondContact NE2-OD1 3.22Å
93S96.8Very high89Confident0 Ų063 Ų630%032%0.324CS..EExtended strand (participates in β ladder)trans-149.3150.7-178.6510000112.1Q7 G42 M117Q7-S93 VanDerWaalsContact CD-OG 3.26Å; Q7-S93 PolarHBondContact NE2-OG 2.93Å; Q7-S93 PolarHBondContact OE1-OG 3.24Å; G42-S93 CarbonylContact O-C 3.49Å; G42-S93 WeakPolarHBondContact O-CA 3.31Å; S93-M117 PolarHBondContact N-O 3.24Å; S93-M117 WeakPolarHBondContact O-CE 3.43Å; S93-M117 PolarHBondContact O-N 3.36Å; S93-M117 WeakPolarHBondContact OG-CB 3.39Å; S93-M117 PolarHBondContact OG-O 2.98Å
94I95.2Very high89.6Confident4 Ų458.3 Ų58.32%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-143131.7-179.8-60.7168.2000107.7V41 G42 A96 L107 W108 T111 L116V41-I94 CarbonylContact C-O 3.57Å; V41-I94 WeakPolarHBondContact CA-O 3.4Å; V41-I94 WeakPolarHBondContact CG1-O 3.19Å; G42-I94 PolarHBondContact N-O 3.16Å; G42-I94 PolarHBondContact O-N 3.01Å; I94-A96 PolarHBondContact O-N 3.41Å; I94-L107 HydrophobicContact CB-CD2 4.33Å; I94-L107 HydrophobicContact CD1-CD2 4.47Å; I94-L107 HydrophobicContact CD1-CG 4.14Å; I94-L107 HydrophobicContact CG2-CD1 4.08Å; I94-L107 HydrophobicContact CG2-CG 4.41Å; I94-W108 HydrophobicContact CD1-CD2 4.05Å; I94-W108 HydrophobicContact CD1-CE3 3.3Å; I94-W108 HydrophobicContact CD1-CH2 3.95Å; I94-W108 HydrophobicContact CD1-CZ3 3.26Å; I94-W108 HydrophobicContact CG1-CE3 4.18Å; I94-W108 HydrophobicContact CG1-CH2 4.06Å; I94-W108 HydrophobicContact CG1-CZ3 3.61Å; I94-T111 HydrophobicContact CD1-CG2 3.92Å; I94-T111 HydrophobicContact CG1-CG2 4.25Å; I94-T111 HydrophobicContact CG2-CG2 3.79Å; I94-L116 HydrophobicContact CD1-CD2 3.38Å; I94-L116 HydrophobicContact CG1-CD2 3.44Å; I94-L116 VanDerWaalsContact CG1-CD2 3.44Å
95V94.6Very high90.6Very high45 Ų4556.5 Ų56.527%0.27330%0.298SS..EExtended strand (participates in β ladder)trans-66.6117.3166.6-176.80000108.1V8 L37 R39 M117V8-V95 HydrophobicContact CG2-CG2 4.44Å; L37-V95 HydrophobicContact CD1-CG2 3.93Å; R39-V95 HydrophobicContact CB-CG1 4.18Å; V95-M117 HydrophobicContact CG2-CE 4.17Å
96A91.8Very high91Very high1 Ų158.7 Ų58.71%0.00831%0.309CS..PPolyproline II helixtrans-63145.1-177.900000110.3R39 A40 Y61 I94R39-A96 PolarHBondContact NH2-O 3.25Å; A40-A96 HydrophobicContact CB-CB 4.16Å; A40-A96 VanDerWaalsContact O-CB 3.3Å; A40-A96 WeakPolarHBondContact O-CB 3.33Å; A40-A96 PolarHBondContact O-N 3.2Å; Y61-A96 HydrophobicContact CD1-CB 4.24Å; Y61-A96 HydrophobicContact CE1-CB 3.73Å; I94-A96 PolarHBondContact O-N 3.41Å
97P89Confident91.3Very high63 Ų6353.6 Ų53.641%0.40928%0.282SS..PPolyproline II helixtrans-66.1150.1167.929.9-33.5000110.1P102P97-P102 HydrophobicContact CG-CG 3.87Å
98D80Confident91.1Very high112 Ų11254.7 Ų54.760%0.59929%0.285SS*.SBendtrans-84.1128.8174.8-53.9-21.7000107.9R39R39-D98 IonicContact CZ-OD1 2.87Å; R39-D98 VanDerWaalsContact CZ-OD1 3.32Å; R39-D98 IonicContact CZ-OD2 3.76Å; R39-D98 IonicContact NE-OD1 3.03Å; R39-D98 PolarHBondContact NE-OD1 3.25Å; R39-D98 IonicContact NE-OD2 3.08Å; R39-D98 PolarHBondContact NE-OD2 3.03Å; R39-D98 VanDerWaalsContact NH2-CG 3.29Å; R39-D98 IonicContact NH2-OD1 2.7Å; R39-D98 PolarHBondContact NH2-OD1 3.44Å; R39-D98 IonicContact NH2-OD2 3.54Å; R39-D98 PolarHBondContact NH2-OD2 2.91Å
99D77.6Confident90.9Very high153 Ų15358.5 Ų58.582%0.81830%0.301SS*.SBendtrans21.6119.5177.7-153.925.8000119.3
100P84.8Confident90.4Very high110 Ų11064.1 Ų64.171%0.71433%0.332SS*.SBendcis-73.6133.62.429.9-33.5000111.7P102P100-P102 WeakPolarHBondContact O-CD 3.31Å
101R85.7Confident89.9Confident102 Ų10263.3 Ų63.339%0.38533%0.329SS..  trans-67.9114.7171-167.6-175.1-145.1168.97.7108.6Y61 E63Y61-R101 HydrophobicContact CE2-CG 4.48Å; E63-R101 IonicContact OE1-CZ 3.37Å; E63-R101 VanDerWaalsContact OE1-CZ 3.22Å; E63-R101 IonicContact OE1-NH1 3.98Å; E63-R101 PolarHBondContact OE1-NH1 3.31Å; E63-R101 IonicContact OE1-NH2 3.48Å; E63-R101 PolarHBondContact OE1-NH2 2.87Å; E63-R101 IonicContact OE2-CZ 2.68Å; E63-R101 IonicContact OE2-NH1 3.76Å; E63-R101 IonicContact OE2-NH2 3.32Å; E63-R101 PolarHBondContact OE2-NH2 2.7Å
102P89.3Confident89.4Confident21 Ų2166.4 Ų66.414%0.13635%0.349CS..  trans-67.3155.8179.827.3-33.7000110.3Y61 P97 P100 Q106 L107Y61-P102 PolarHBondContact OH-O 3.28Å; P97-P102 HydrophobicContact CG-CG 3.87Å; P100-P102 WeakPolarHBondContact O-CD 3.31Å; P102-Q106 HydrophobicContact CB-CB 3.82Å; P102-L107 HydrophobicContact CG-CB 4.06Å; P102-L107 HydrophobicContact CG-CD1 3.95Å
103T90.4Very high88.9Confident81 Ų8173.5 Ų73.550%0.49738%0.382SS..  trans-57.9154.5163.9600000109.9E105 Q106 L107T103-E105 PolarHBondContact O-N 2.88Å; T103-E105 VanDerWaalsContact O-N 3.15Å; T103-Q106 PolarHBondContact O-N 3.49Å; T103-Q106 VanDerWaalsContact O-N 3.07Å; T103-Q106 VanDerWaalsContact OG1-CD 3.24Å; T103-Q106 VanDerWaalsContact OG1-CG 3.31Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.38Å; T103-Q106 PolarHBondContact OG1-N 2.81Å; T103-Q106 PolarHBondContact OG1-OE1 3.27Å; T103-L107 PolarHBondContact O-N 3.05Å
104T89.5Confident88.5Confident31 Ų3177.9 Ų77.919%0.1941%0.412CS..Hα-helixtrans-54.2-38.7179.4-48.90000111.2N59 L107 W108N59-T104 HydrophobicContact CB-CG2 4.37Å; N59-T104 VanDerWaalsContact OD1-CG2 3.32Å; N59-T104 WeakPolarHBondContact OD1-CG2 3.39Å; T104-L107 PolarHBondContact O-N 3.42Å; T104-W108 VanDerWaalsContact CG2-NE1 3.32Å; T104-W108 PolarHBondContact O-N 3.02Å; T104-W108 PolarHBondContact O-NE1 2.86Å
105E91Very high88.2Confident143 Ų14384.1 Ų84.167%0.66844%0.439SS*.Hα-helixtrans-64.2-42.9177.3-64.4-170.6178.300113.9T103 W108 K109T103-E105 PolarHBondContact O-N 2.88Å; T103-E105 VanDerWaalsContact O-N 3.15Å; E105-W108 PolarHBondContact O-N 2.98Å; E105-K109 WeakPolarHBondContact O-CG 3.47Å; E105-K109 PolarHBondContact O-N 3.43Å
106Q91.3Very high88.1Confident93 Ų9382.9 Ų82.944%0.43543%0.431SS..Hα-helixtrans-65.5-42.8176.8-76.2163.9-32.300111P102 T103 W108 K109 D110P102-Q106 HydrophobicContact CB-CB 3.82Å; T103-Q106 PolarHBondContact O-N 3.49Å; T103-Q106 VanDerWaalsContact O-N 3.07Å; T103-Q106 VanDerWaalsContact OG1-CD 3.24Å; T103-Q106 VanDerWaalsContact OG1-CG 3.31Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.38Å; T103-Q106 PolarHBondContact OG1-N 2.81Å; T103-Q106 PolarHBondContact OG1-OE1 3.27Å; Q106-W108 PolarHBondContact O-N 3.05Å; Q106-K109 PolarHBondContact O-N 3.46Å; Q106-D110 WeakPolarHBondContact O-CB 3.41Å; Q106-D110 PolarHBondContact O-N 2.71Å
107L91.9Very high88.2Confident2 Ų283.3 Ų83.31%0.0143%0.433CS..Hα-helixtrans-52-44.4177.8-176.671000112Y61 I94 P102 T103 T104 T111Y61-L107 HydrophobicContact CE1-CD2 3.74Å; I94-L107 HydrophobicContact CB-CD2 4.33Å; I94-L107 HydrophobicContact CD1-CD2 4.47Å; I94-L107 HydrophobicContact CD1-CG 4.14Å; I94-L107 HydrophobicContact CG2-CD1 4.08Å; I94-L107 HydrophobicContact CG2-CG 4.41Å; P102-L107 HydrophobicContact CG-CB 4.06Å; P102-L107 HydrophobicContact CG-CD1 3.95Å; T103-L107 PolarHBondContact O-N 3.05Å; T104-L107 PolarHBondContact O-N 3.42Å; L107-T111 VanDerWaalsContact O-CB 3.23Å; L107-T111 WeakPolarHBondContact O-CB 3.29Å; L107-T111 PolarHBondContact O-N 2.88Å; L107-T111 PolarHBondContact O-OG1 3.36Å
108W91Very high88.5Confident50 Ų5082.2 Ų82.219%0.18942%0.424CS..Hα-helixtrans-76.3-19-179.9-60.6113.8000114.2F43 K44 Q92 I94 T104 E105 Q106 L116F43-W108 VanDerWaalsContact C-CZ2 3.44Å; K44-W108 HydrophobicContact CB-CH2 3.8Å; K44-W108 HydrophobicContact CB-CZ2 3.46Å; K44-W108 VanDerWaalsContact CB-CZ2 3.46Å; K44-W108 HydrophobicContact CB-CZ3 4.44Å; K44-W108 HydrophobicContact CD-CD2 4.38Å; Q92-W108 HydrophobicContact CB-CH2 4.11Å; Q92-W108 HydrophobicContact CB-CZ3 3.97Å; I94-W108 HydrophobicContact CD1-CD2 4.05Å; I94-W108 HydrophobicContact CD1-CE3 3.3Å; I94-W108 HydrophobicContact CD1-CH2 3.95Å; I94-W108 HydrophobicContact CD1-CZ3 3.26Å; I94-W108 HydrophobicContact CG1-CE3 4.18Å; I94-W108 HydrophobicContact CG1-CH2 4.06Å; I94-W108 HydrophobicContact CG1-CZ3 3.61Å; T104-W108 VanDerWaalsContact CG2-NE1 3.32Å; T104-W108 PolarHBondContact O-N 3.02Å; T104-W108 PolarHBondContact O-NE1 2.86Å; E105-W108 PolarHBondContact O-N 2.98Å; Q106-W108 PolarHBondContact O-N 3.05Å; W108-L116 HydrophobicContact CE3-CD2 4.17Å; W108-L116 HydrophobicContact CZ3-CD2 3.98Å
109K91.1Very high89.2Confident161 Ų16178.1 Ų78.170%0.740%0.404SS*.Hα-helixtrans-86.9-42.5176.6-74.6176.5179.5172.30111.9E105 Q106E105-K109 WeakPolarHBondContact O-CG 3.47Å; E105-K109 PolarHBondContact O-N 3.43Å; Q106-K109 PolarHBondContact O-N 3.46Å
110D87.4Confident90Very high120 Ų12077.8 Ų77.864%0.64239%0.391SS*.Hα-helixtrans-85.5-21.9-170.2-59.2-20.1000112.4Q106Q106-D110 WeakPolarHBondContact O-CB 3.41Å; Q106-D110 PolarHBondContact O-N 2.71Å
111T85.1Confident90.5Very high23 Ų2372.5 Ų72.514%0.14136%0.357CS..SBendtrans-82.7124.9-178.2-56.90000111I94 L107 K115I94-T111 HydrophobicContact CD1-CG2 3.92Å; I94-T111 HydrophobicContact CG1-CG2 4.25Å; I94-T111 HydrophobicContact CG2-CG2 3.79Å; L107-T111 VanDerWaalsContact O-CB 3.23Å; L107-T111 WeakPolarHBondContact O-CB 3.29Å; L107-T111 PolarHBondContact O-N 2.88Å; L107-T111 PolarHBondContact O-OG1 3.36Å; T111-K115 HydrophobicContact CG2-CB 3.76Å; T111-K115 HydrophobicContact CG2-CD 4.29Å
112P87.1Confident90.9Very high65 Ų6570 Ų7042%0.42235%0.349SS..  trans-63.4144.3175.826.7-34.8000111.4S114 K115P112-S114 PolarHBondContact O-N 3.49Å; P112-K115 HydrophobicContact CG-CD 4.08Å; P112-K115 HydrophobicContact CG-CG 4.12Å; P112-K115 PolarHBondContact O-N 3.48Å
113H86.6Confident91.1Very high164 Ų16469.2 Ų69.276%0.75934%0.343SS*.G310 helixtrans-54.3-25.8179.9-72.1-72.5000114.2K115 L116H113-K115 PolarHBondContact O-N 3.4Å; H113-L116 HydrophobicContact CB-CD1 4.29Å; H113-L116 VanDerWaalsContact ND1-CD1 3.34Å; H113-L116 WeakPolarHBondContact ND1-CD1 3.28Å; H113-L116 WeakPolarHBondContact O-CB 3.23Å; H113-L116 PolarHBondContact O-N 2.82Å
114S87.4Confident91.1Very high91 Ų9166.4 Ų66.464%0.63633%0.325SS*.G310 helixtrans-65.9-20177.455.30000114.3P5 P112P5-S114 VanDerWaalsContact CD-O 3.31Å; P5-S114 WeakPolarHBondContact CD-O 3.49Å; P112-S114 PolarHBondContact O-N 3.49Å
115K89.3Confident91.2Very high135 Ų13565.9 Ų65.959%0.58732%0.321SS*.G310 helixtrans-94.1-4.5175.9-67.8-174.8179.5-176.90113.3T111 P112 H113 M117T111-K115 HydrophobicContact CG2-CB 3.76Å; T111-K115 HydrophobicContact CG2-CD 4.29Å; P112-K115 HydrophobicContact CG-CD 4.08Å; P112-K115 HydrophobicContact CG-CG 4.12Å; P112-K115 PolarHBondContact O-N 3.48Å; H113-K115 PolarHBondContact O-N 3.4Å; K115-M117 PolarHBondContact O-N 3.13Å
116L91.9Very high91.1Very high19 Ų1959.9 Ų59.910%0.09929%0.293CS..  trans-73.9125.2178.9-60.8-178.9000110.2S4 P5 I94 W108 H113S4-L116 WeakPolarHBondContact CB-O 3.46Å; P5-L116 VanDerWaalsContact CD-O 3.29Å; P5-L116 WeakPolarHBondContact CD-O 3.22Å; I94-L116 HydrophobicContact CD1-CD2 3.38Å; I94-L116 HydrophobicContact CG1-CD2 3.44Å; I94-L116 VanDerWaalsContact CG1-CD2 3.44Å; W108-L116 HydrophobicContact CE3-CD2 4.17Å; W108-L116 HydrophobicContact CZ3-CD2 3.98Å; H113-L116 HydrophobicContact CB-CD1 4.29Å; H113-L116 VanDerWaalsContact ND1-CD1 3.34Å; H113-L116 WeakPolarHBondContact ND1-CD1 3.28Å; H113-L116 WeakPolarHBondContact O-CB 3.23Å; H113-L116 PolarHBondContact O-N 2.82Å
117M94.9Very high90.8Very high10 Ų1056.1 Ų56.15%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-101.8127172.2-61.1163.2-69.700108.6P5 A6 V8 Q92 S93 V95 K115P5-M117 HydrophobicContact CB-CG 3.88Å; P5-M117 HydrophobicContact CG-CG 3.58Å; A6-M117 WeakPolarHBondContact O-CG 3.49Å; V8-M117 HydrophobicContact CB-SD 4.17Å; V8-M117 HydrophobicContact CG1-CE 4.41Å; V8-M117 HydrophobicContact CG1-SD 3.61Å; V8-M117 HydrophobicContact CG2-CE 3.63Å; V8-M117 HydrophobicContact CG2-SD 3.77Å; Q92-M117 CarbonylContact C-O 3.53Å; Q92-M117 WeakPolarHBondContact CA-O 3.42Å; S93-M117 PolarHBondContact N-O 3.24Å; S93-M117 WeakPolarHBondContact O-CE 3.43Å; S93-M117 PolarHBondContact O-N 3.36Å; S93-M117 WeakPolarHBondContact OG-CB 3.39Å; S93-M117 PolarHBondContact OG-O 2.98Å; V95-M117 HydrophobicContact CG2-CE 4.17Å; K115-M117 PolarHBondContact O-N 3.13Å
118D94.3Very high90.4Very high41 Ų4158.7 Ų58.722%0.21929%0.294CS..EExtended strand (participates in β ladder)trans-119.5130.6-176.5-69.3-18.6000111M90 I91 Q92M90-D118 HydrophobicContact CG-CB 4.35Å; M90-D118 HydrophobicContact SD-CB 4.28Å; I91-D118 WeakPolarHBondContact O-CA 3.2Å; Q92-D118 VanDerWaalsContact CG-OD1 3.22Å; Q92-D118 WeakPolarHBondContact CG-OD1 3.26Å; Q92-D118 PolarHBondContact NE2-OD1 3.22Å
119S95.4Very high90Very high25 Ų2561.7 Ų61.718%0.17531%0.314CS..EExtended strand (participates in β ladder)trans-119.8143.6167.5-62.90000110.1Q7 I11 M90 I91Q7-S119 WeakPolarHBondContact CB-OG 3.15Å; Q7-S119 WeakPolarHBondContact CG-OG 3.3Å; Q7-S119 PolarHBondContact NE2-OG 3.45Å; I11-S119 WeakPolarHBondContact CD1-OG 3.3Å; M90-S119 CarbonylContact C-O 3.48Å; M90-S119 VanDerWaalsContact CA-O 3.24Å; M90-S119 WeakPolarHBondContact CA-O 3.43Å; I91-S119 PolarHBondContact N-O 2.79Å; I91-S119 PolarHBondContact O-N 2.83Å
120R94.8Very high89.7Confident146 Ų14655.5 Ų55.555%0.55129%0.287SS*.EExtended strand (participates in β ladder)trans-121.2135-178.3-62.8-176.5-173.488.77.5111.1F89 M90F89-R120 CarbonylContact O-C 3.46Å; F89-R120 VanDerWaalsContact O-CA 3.25Å; F89-R120 WeakPolarHBondContact O-CA 3.42Å; M90-R120 HydrophobicContact CB-CG 4.46Å; M90-R120 HydrophobicContact CG-CG 4.28Å
121L95.4Very high89.9Confident0 Ų050.2 Ų50.20%026%0.259CS..EExtended strand (participates in β ladder)trans-115.4145.1169.6-6875.5000109.6I11 P13 N15 L17 I31 K88 F89 I91I11-L121 HydrophobicContact CG2-CD1 4.26Å; P13-L121 HydrophobicContact CG-CD2 4.07Å; P13-L121 WeakPolarHBondContact O-CD2 3.27Å; N15-L121 CarbonylContact O-C 3.55Å; N15-L121 VanDerWaalsContact O-CA 3.29Å; N15-L121 WeakPolarHBondContact O-CA 3.42Å; L17-L121 HydrophobicContact CB-CD2 4.18Å; I31-L121 HydrophobicContact CD1-CD2 4.3Å; I31-L121 HydrophobicContact CG1-CD2 4.33Å; K88-L121 CarbonylContact C-O 3.57Å; K88-L121 VanDerWaalsContact CA-O 3.32Å; K88-L121 WeakPolarHBondContact CA-O 3.34Å; F89-L121 PolarHBondContact N-O 3.43Å; F89-L121 PolarHBondContact O-N 3.36Å; I91-L121 HydrophobicContact CD1-CD1 3.12Å
122F93.3Very high90.2Very high49 Ų4951 Ų5122%0.21526%0.261CS..EExtended strand (participates in β ladder)trans-95.2137.1172.1-67-102.5000109.4N15 E16 L17 K88N15-F122 PolarHBondContact O-N 3.49Å; E16-F122 CarbonylContact C-O 3.55Å; E16-F122 VanDerWaalsContact CA-O 3.29Å; E16-F122 WeakPolarHBondContact CA-O 3.13Å; L17-F122 PolarHBondContact N-O 2.59Å; K88-F122 HydrophobicContact CD-CD1 4.16Å; K88-F122 HydrophobicContact CD-CE1 3.91Å; K88-F122 HydrophobicContact CD-CZ 4.45Å; K88-F122 HydrophobicContact CG-CD1 4.07Å; K88-F122 HydrophobicContact CG-CE1 4.33Å
123C94Very high90.5Very high4 Ų448.1 Ų48.13%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-84.6129.3173.9-56.80000109.7L17 F19 F85 H87 F89L17-C123 WeakPolarHBondContact O-CA 3.37Å; F19-C123 HydrophobicContact CD2-CB 4.42Å; F19-C123 HydrophobicContact CE2-CB 4.03Å; F85-C123 HydrophobicContact CD1-CB 4.37Å; F85-C123 HydrophobicContact CE1-CB 3.52Å; F85-C123 HydrophobicContact CZ-CB 4.32Å; H87-C123 HydrophobicContact CB-CB 3.99Å; H87-C123 PolarHBondContact O-N 2.84Å; F89-C123 WeakPolarHBondContact CD2-SG 3.36Å; F89-C123 WeakPolarHBondContact CE2-SG 3.49Å
124I90.4Very high90.8Very high23 Ų2344.7 Ų44.712%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-114.8136.7173.6-53.2-56.6000108.2E16 L17 I18 F19 C136E16-I124 HydrophobicContact CB-CG1 4.34Å; E16-I124 HydrophobicContact CG-CG1 4.38Å; L17-I124 PolarHBondContact O-N 3.46Å; I18-I124 WeakPolarHBondContact CA-O 3.09Å; I18-I124 HydrophobicContact CG1-CB 4.3Å; F19-I124 PolarHBondContact N-O 3.39Å; I124-C136 HydrophobicContact CD1-CB 4.04Å; I124-C136 HydrophobicContact CG1-CB 4Å
125L91.1Very high91.1Very high19 Ų1942.5 Ų42.510%0.09921%0.21CC..EExtended strand (participates in β ladder)trans-101.1125.7172.1-63.7-174.4000108.8F19 F23 L74 F77 Y79 F85F19-L125 HydrophobicContact CB-CD2 3.88Å; F19-L125 HydrophobicContact CD2-CD2 4.44Å; F19-L125 HydrophobicContact CG-CD2 4.45Å; F23-L125 HydrophobicContact CD1-CD2 4.42Å; F23-L125 HydrophobicContact CE1-CB 4.42Å; F23-L125 HydrophobicContact CE1-CD2 3.76Å; F23-L125 HydrophobicContact CE2-CB 4.09Å; F23-L125 HydrophobicContact CE2-CD1 4.25Å; F23-L125 HydrophobicContact CZ-CB 3.65Å; F23-L125 HydrophobicContact CZ-CD1 4.31Å; F23-L125 HydrophobicContact CZ-CD2 3.86Å; F23-L125 HydrophobicContact CZ-CG 4.13Å; L74-L125 HydrophobicContact CD2-CD2 3.64Å; F77-L125 HydrophobicContact CE1-CD1 4.44Å; F77-L125 HydrophobicContact CZ-CD1 3.67Å; Y79-L125 HydrophobicContact CD2-CD1 3.91Å; Y79-L125 HydrophobicContact CE2-CB 4.5Å; Y79-L125 HydrophobicContact CE2-CD1 3.69Å; F85-L125 HydrophobicContact CB-CD1 4.24Å; F85-L125 HydrophobicContact CD1-CD1 3.95Å; F85-L125 HydrophobicContact CD1-CD2 4.23Å; F85-L125 HydrophobicContact CD1-CG 3.57Å; F85-L125 HydrophobicContact CD2-CD1 3.4Å; F85-L125 HydrophobicContact CD2-CG 3.97Å; F85-L125 HydrophobicContact CE1-CD1 4.02Å; F85-L125 HydrophobicContact CE1-CD2 3.56Å; F85-L125 HydrophobicContact CE1-CG 3.45Å; F85-L125 VanDerWaalsContact CE1-CG 3.45Å; F85-L125 HydrophobicContact CE2-CD1 3.5Å; F85-L125 HydrophobicContact CE2-CD2 3.97Å; F85-L125 HydrophobicContact CE2-CG 3.87Å; F85-L125 HydrophobicContact CG-CD1 3.6Å; F85-L125 HydrophobicContact CG-CG 3.79Å; F85-L125 HydrophobicContact CZ-CD1 3.79Å; F85-L125 HydrophobicContact CZ-CD2 3.39Å; F85-L125 HydrophobicContact CZ-CG 3.59Å
126H89.3Confident91Very high18 Ų1836.6 Ų36.68%0.08319%0.185CC..EExtended strand (participates in β ladder)trans-103.3103.6169.8-76.5-176.6000108.5I18 F19 E20 G21 H132I18-H126 HydrophobicContact CG2-CB 4.27Å; I18-H126 WeakPolarHBondContact CG2-ND1 3.34Å; F19-H126 PolarHBondContact O-N 3.18Å; E20-H126 HydrophobicContact CG-CB 4.5Å; G21-H126 PolarHBondContact N-O 2.78Å; H126-H132 AromaticContact CG-CE1 3.93Å; H126-H132 AromaticContact CG-NE2 3.83Å; H126-H132 AromaticContact ND1-CE1 3.83Å; H126-H132 AromaticContact ND1-ND1 3.8Å
127S86.1Confident90.8Very high13 Ų1338.6 Ų38.69%0.09119%0.192CC..  trans-79.4143.6169.3-176.30000109.5D129 E130 H132S127-D129 PolarHBondContact O-N 2.89Å; S127-E130 PolarHBondContact O-N 3.07Å; S127-H132 PolarHBondContact O-NE2 3.3Å
128P83Confident90.6Very high56 Ų5640 Ų4036%0.36420%0.199SC..THydrogen-bonded Turntrans-65.1-18175.426.6-35.6000113.6P158P128-P158 WeakPolarHBondContact O-CG 3.35Å
129D81.9Confident90.6Very high114 Ų11438.1 Ų38.161%0.6119%0.189SC*.THydrogen-bonded Turntrans-106.46.1-177.5-56.5-44.3000113.3S127S127-D129 PolarHBondContact O-N 2.89Å
130E85.2Confident90.5Very high31 Ų3138.7 Ų38.715%0.14519%0.191CC..SBendtrans-118.7145.4-175.8-166.5172.6160.500111.3Y79 S127 H132 P158 T238Y79-E130 PolarHBondContact OH-OE2 2.85Å; S127-E130 PolarHBondContact O-N 3.07Å; E130-H132 PolarHBondContact O-CD2 3.06Å; E130-H132 VanDerWaalsContact O-CD2 3.24Å; E130-H132 PolarHBondContact O-N 3.04Å; E130-P158 VanDerWaalsContact O-CD 3.24Å; E130-P158 WeakPolarHBondContact O-CD 3.31Å; E130-P158 WeakPolarHBondContact O-CG 3.31Å; E130-T238 HydrophobicContact CG-CG2 4.18Å; E130-T238 VanDerWaalsContact OE1-CG2 3.25Å; E130-T238 WeakPolarHBondContact OE1-CG2 3.14Å
131L91Very high90.5Very high8 Ų831.7 Ų31.74%0.04217%0.165CC..  trans-65126.4-178.9-166.869.2000110.8L155 T156 N157 V163 F165 I184 I213L131-L155 HydrophobicContact CD1-CB 4.25Å; L131-L155 HydrophobicContact CD2-CB 3.97Å; L131-L155 HydrophobicContact CD2-CD1 3.83Å; L131-L155 HydrophobicContact CD2-CD2 4.12Å; L131-L155 HydrophobicContact CD2-CG 4.2Å; L131-L155 HydrophobicContact CG-CB 4.19Å; L131-T156 VanDerWaalsContact CD1-O 3.3Å; L131-T156 WeakPolarHBondContact CD1-O 3.29Å; L131-N157 HydrophobicContact CD1-CB 4.25Å; L131-V163 HydrophobicContact CD1-CG1 4.22Å; L131-F165 HydrophobicContact CD2-CB 4.16Å; L131-I184 HydrophobicContact CD1-CD1 3.56Å; L131-I184 HydrophobicContact CD2-CD1 4.3Å; L131-I213 HydrophobicContact CD2-CG2 4.47Å
132H92.6Very high90.3Very high41 Ų4137 Ų3719%0.1919%0.19CC..EExtended strand (participates in β ladder)trans-83.1130.4174.9-63.6177000109.2H126 S127 E130 L155 T156H126-H132 AromaticContact CG-CE1 3.93Å; H126-H132 AromaticContact CG-NE2 3.83Å; H126-H132 AromaticContact ND1-CE1 3.83Å; H126-H132 AromaticContact ND1-ND1 3.8Å; S127-H132 PolarHBondContact O-NE2 3.3Å; E130-H132 PolarHBondContact O-CD2 3.06Å; E130-H132 VanDerWaalsContact O-CD2 3.24Å; E130-H132 PolarHBondContact O-N 3.04Å; H132-L155 WeakPolarHBondContact O-CA 3.43Å; H132-T156 PolarHBondContact N-O 2.99Å; H132-T156 PolarHBondContact O-N 3.25Å
133V93.4Very high90Very high3 Ų335 Ų352%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-117.2120.4-176-175.70000109.5P135 C136 V153 L155 I213 Y240 L242V133-P135 CarbonylContact O-C 3.49Å; V133-C136 WeakPolarHBondContact O-CA 3.48Å; V133-C136 PolarHBondContact O-N 2.96Å; V133-C136 PolarHBondContact O-SG 2.98Å; V133-C136 VanDerWaalsContact O-SG 3.35Å; V133-V153 HydrophobicContact CG1-CG1 3.83Å; V133-L155 HydrophobicContact CB-CD2 4.23Å; V133-L155 HydrophobicContact CG1-CD2 3.96Å; V133-L155 HydrophobicContact CG2-CD2 3.83Å; V133-I213 HydrophobicContact CG1-CD1 3.52Å; V133-I213 HydrophobicContact CG2-CD1 4.24Å; V133-Y240 HydrophobicContact CB-CD1 4.02Å; V133-Y240 HydrophobicContact CB-CE1 3.73Å; V133-Y240 HydrophobicContact CB-CE2 4.4Å; V133-Y240 HydrophobicContact CB-CG 4.47Å; V133-Y240 HydrophobicContact CG1-CD1 4Å; V133-Y240 HydrophobicContact CG1-CE1 3.8Å; V133-Y240 HydrophobicContact CG2-CD1 3.88Å; V133-Y240 HydrophobicContact CG2-CD2 4.15Å; V133-Y240 HydrophobicContact CG2-CE1 4.08Å; V133-Y240 HydrophobicContact CG2-CE2 4.31Å; V133-Y240 HydrophobicContact CG2-CG 3.9Å; V133-L242 HydrophobicContact CG1-CD1 4.08Å; V133-L242 HydrophobicContact CG1-CD2 4.14Å; V133-L242 HydrophobicContact CG1-CG 4.37Å
134E92.9Very high89.8Confident93 Ų9337.4 Ų37.444%0.43520%0.199SC..EExtended strand (participates in β ladder)trans-121128.2174.6-65.6-178.116000110V153 K154E134-V153 CarbonylContact O-C 3.5Å; E134-V153 WeakPolarHBondContact O-CA 3.45Å; E134-K154 HydrophobicContact CB-CB 4.33Å; E134-K154 PolarHBondContact N-O 3.3Å; E134-K154 PolarHBondContact O-N 3.27Å
135P92.6Very high89.7Confident45 Ų4538 Ų3829%0.29220%0.201SC..SBendcis-67.8152-430.7-35.8000111.9V133 R137 D138 L139 L242V133-P135 CarbonylContact O-C 3.49Å; P135-R137 VanDerWaalsContact C-N 3.33Å; P135-R137 PolarHBondContact O-N 3.31Å; P135-D138 WeakPolarHBondContact CG-O 3.41Å; P135-L139 HydrophobicContact CG-CD1 4.07Å; P135-L242 WeakPolarHBondContact O-CD2 3.33Å
136C86.7Confident89.6Confident10 Ų1042.8 Ų42.87%0.06823%0.231CC..SBendtrans-80.3-9.1-173-46.70000114.4E16 I124 V133 Y240E16-C136 VanDerWaalsContact OE2-CB 3.3Å; E16-C136 WeakPolarHBondContact OE2-CB 3.3Å; E16-C136 PolarHBondContact OE2-SG 3.24Å; I124-C136 HydrophobicContact CD1-CB 4.04Å; I124-C136 HydrophobicContact CG1-CB 4Å; V133-C136 WeakPolarHBondContact O-CA 3.48Å; V133-C136 PolarHBondContact O-N 2.96Å; V133-C136 PolarHBondContact O-SG 2.98Å; V133-C136 VanDerWaalsContact O-SG 3.35Å; C136-Y240 VanDerWaalsContact C-OH 3.26Å; C136-Y240 WeakPolarHBondContact CA-OH 3.41Å; C136-Y240 VanDerWaalsContact CB-OH 3.29Å; C136-Y240 WeakPolarHBondContact CB-OH 3.35Å; C136-Y240 WeakPolarHBondContact O-CE1 3.21Å; C136-Y240 PolarHBondContact O-OH 2.9Å
137R87.6Confident89.7Confident62 Ų6249 Ų4923%0.23425%0.254CS..SBendtrans-145.9-58.1-173.6-161.9-169.274-121.48.7114.4E16 P135 L242 K243E16-R137 IonicContact OE1-NH1 3.36Å; P135-R137 VanDerWaalsContact C-N 3.33Å; P135-R137 PolarHBondContact O-N 3.31Å; R137-L242 CarbonylContact O-C 3.58Å; R137-L242 WeakPolarHBondContact O-CA 3.45Å; R137-K243 PolarHBondContact O-N 3.18Å
138D91.4Very high90.1Very high40 Ų4051.1 Ų51.121%0.21427%0.267CS..EExtended strand (participates in β ladder)trans-108113.5-172.8-67-4.4000109P135 V140 K243 V245P135-D138 WeakPolarHBondContact CG-O 3.41Å; D138-V140 HydrophobicContact CB-CG2 4.46Å; D138-V140 PolarHBondContact O-N 3.43Å; D138-K243 CarbonylContact C-O 3.53Å; D138-K243 WeakPolarHBondContact CA-O 3.44Å; D138-V245 HydrophobicContact CB-CG2 3.85Å
139L94.8Very high90.6Very high0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-87.5103.4169.8-172.362.6000108.4P135 F141 S151 V153 V194 M211 L242 K243 C244 V245P135-L139 HydrophobicContact CG-CD1 4.07Å; L139-F141 HydrophobicContact CB-CE2 4.35Å; L139-F141 HydrophobicContact CD2-CE2 3.89Å; L139-F141 HydrophobicContact CD2-CZ 3.72Å; L139-F141 HydrophobicContact CG-CE2 3.82Å; L139-F141 HydrophobicContact CG-CZ 4Å; L139-F141 WeakPolarHBondContact O-CD2 3.4Å; L139-S151 WeakPolarHBondContact CD1-OG 3.45Å; L139-V153 HydrophobicContact CD1-CG2 3.56Å; L139-V153 HydrophobicContact CD2-CG2 3.89Å; L139-V153 HydrophobicContact CG-CG2 4.35Å; L139-V194 HydrophobicContact CD2-CB 4.02Å; L139-V194 HydrophobicContact CD2-CG1 4.07Å; L139-V194 HydrophobicContact CD2-CG2 3.99Å; L139-M211 HydrophobicContact CD2-CG 3.75Å; L139-L242 HydrophobicContact CB-CB 4.3Å; L139-L242 HydrophobicContact CB-CD1 4.48Å; L139-K243 PolarHBondContact N-O 2.79Å; L139-C244 WeakPolarHBondContact O-CA 3.25Å; L139-V245 PolarHBondContact O-N 2.85Å
140V93.8Very high91.3Very high37 Ų3747.2 Ų47.222%0.22425%0.246CC..EExtended strand (participates in β ladder)trans-88.4128.1-172.1-177.20000110.3D138 E142 S151 V245 K247D138-V140 HydrophobicContact CB-CG2 4.46Å; D138-V140 PolarHBondContact O-N 3.43Å; V140-E142 HydrophobicContact CG1-CG 4Å; V140-S151 VanDerWaalsContact O-CB 3.29Å; V140-S151 WeakPolarHBondContact O-CB 3.47Å; V140-S151 PolarHBondContact O-OG 2.72Å; V140-V245 CarbonylContact C-O 3.57Å; V140-V245 WeakPolarHBondContact CA-O 3.46Å; V140-V245 HydrophobicContact CG2-CB 4.34Å; V140-K247 HydrophobicContact CG1-CB 4.44Å; V140-K247 HydrophobicContact CG1-CD 3.71Å; V140-K247 HydrophobicContact CG1-CG 3.94Å
141F94Very high91.9Very high0 Ų046.7 Ų46.70%025%0.246CC..EExtended strand (participates in β ladder)trans-109.3116171.2-64.2-90.9000108.3L139 F145 V149 F175 V194 F196 C244 V245 F246 K247L139-F141 HydrophobicContact CB-CE2 4.35Å; L139-F141 HydrophobicContact CD2-CE2 3.89Å; L139-F141 HydrophobicContact CD2-CZ 3.72Å; L139-F141 HydrophobicContact CG-CE2 3.82Å; L139-F141 HydrophobicContact CG-CZ 4Å; L139-F141 WeakPolarHBondContact O-CD2 3.4Å; F141-F145 HydrophobicContact CB-CE1 4.28Å; F141-F145 WeakPolarHBondContact O-CZ 3.19Å; F141-V149 HydrophobicContact CB-CG2 4.05Å; F141-V149 HydrophobicContact CD1-CG2 4.11Å; F141-F175 HydrophobicContact CE1-CE1 4.38Å; F141-F175 AromaticContact CE2-CE1 3.88Å; F141-F175 HydrophobicContact CE2-CE1 3.88Å; F141-F175 HydrophobicContact CZ-CD1 4.11Å; F141-F175 AromaticContact CZ-CE1 3.76Å; F141-F175 HydrophobicContact CZ-CE1 3.76Å; F141-V194 HydrophobicContact CE1-CB 4.5Å; F141-V194 HydrophobicContact CE1-CG1 4.2Å; F141-V194 WeakPolarHBondContact CE1-O 3.45Å; F141-V194 HydrophobicContact CZ-CB 4.29Å; F141-V194 HydrophobicContact CZ-CG1 3.77Å; F141-F196 HydrophobicContact CD1-CB 3.6Å; F141-F196 HydrophobicContact CE1-CB 3.65Å; F141-F196 HydrophobicContact CG-CB 4.2Å; F141-F196 HydrophobicContact CZ-CB 4.33Å; F141-C244 HydrophobicContact CD2-CB 4.34Å; F141-C244 HydrophobicContact CE2-CB 3.97Å; F141-V245 PolarHBondContact N-O 2.8Å; F141-F246 HydrophobicContact CB-CD1 3.93Å; F141-F246 HydrophobicContact CB-CE1 4.33Å; F141-F246 HydrophobicContact CD2-CD1 4.45Å; F141-F246 HydrophobicContact CD2-CE1 4.22Å; F141-F246 HydrophobicContact CG-CD1 4.43Å; F141-F246 HydrophobicContact CG-CE1 4.36Å; F141-F246 WeakPolarHBondContact O-CA 3.32Å; F141-K247 PolarHBondContact O-N 3.11Å
142E92.4Very high92.2Very high110 Ų11049.4 Ų49.451%0.51426%0.263SS..EExtended strand (participates in β ladder)trans-94.4128179.4-60.8-169.3167.400109.9V140 V149 K247 T249V140-E142 HydrophobicContact CG1-CG 4Å; E142-V149 WeakPolarHBondContact O-CG1 3.31Å; E142-K247 CarbonylContact C-O 3.56Å; E142-K247 WeakPolarHBondContact CA-O 3.43Å; E142-T249 HydrophobicContact CB-CG2 4.13Å; E142-T249 HydrophobicContact CG-CG2 4.33Å
143G86.8Confident92.4Very high9 Ų947.5 Ų47.59%0.09325%0.254CS..SBendtrans-67.1-179.6177.600000112.8K247 T249G143-K247 PolarHBondContact N-O 2.96Å; G143-T249 PolarHBondContact O-OG1 2.8Å; G143-T249 VanDerWaalsContact O-OG1 3.05Å
144P88.1Confident92.6Very high54 Ų5450.4 Ų50.435%0.35127%0.266SS..  cis-77.5135.614.630.4-36.1000113.6V146P144-V146 HydrophobicContact CB-CG2 4.17Å; P144-V146 HydrophobicContact CG-CG2 4.32Å; P144-V146 PolarHBondContact O-N 2.91Å
145F89.6Confident92.8Very high35 Ų3546 Ų4615%0.15425%0.245CC..THydrogen-bonded Turntrans-81.740.8-179.8-52.4-61.4000113.6F141 V149 F196 P198 F203 F246 K247 N248F141-F145 HydrophobicContact CB-CE1 4.28Å; F141-F145 WeakPolarHBondContact O-CZ 3.19Å; F145-V149 HydrophobicContact CD1-CG2 3.99Å; F145-V149 HydrophobicContact CE1-CG2 4.09Å; F145-F196 HydrophobicContact CD1-CD1 4.36Å; F145-F196 HydrophobicContact CD1-CE1 4.15Å; F145-P198 HydrophobicContact CB-CB 3.95Å; F145-P198 HydrophobicContact CB-CG 4.5Å; F145-P198 VanDerWaalsContact O-CB 3.23Å; F145-P198 WeakPolarHBondContact O-CB 3.19Å; F145-P198 VanDerWaalsContact O-CG 3.29Å; F145-P198 WeakPolarHBondContact O-CG 3.18Å; F145-F203 HydrophobicContact CB-CE1 4.42Å; F145-F203 HydrophobicContact CB-CE2 3.98Å; F145-F203 HydrophobicContact CB-CZ 3.55Å; F145-F203 HydrophobicContact CD1-CE1 4.5Å; F145-F203 HydrophobicContact CD1-CZ 4.23Å; F145-F203 AromaticContact CD2-CE1 3.95Å; F145-F203 HydrophobicContact CD2-CE1 3.95Å; F145-F203 AromaticContact CD2-CZ 3.9Å; F145-F203 HydrophobicContact CD2-CZ 3.9Å; F145-F203 HydrophobicContact CE2-CE1 4.38Å; F145-F203 HydrophobicContact CG-CE1 4.03Å; F145-F203 HydrophobicContact CG-CE2 4.45Å; F145-F203 AromaticContact CG-CZ 3.62Å; F145-F203 HydrophobicContact CG-CZ 3.62Å; F145-F246 HydrophobicContact CE1-CB 4.24Å; F145-F246 HydrophobicContact CE1-CD1 4.03Å; F145-F246 HydrophobicContact CE2-CB 4.04Å; F145-F246 HydrophobicContact CZ-CB 3.64Å; F145-F246 HydrophobicContact CZ-CD1 4.29Å; F145-F246 HydrophobicContact CZ-CG 4.47Å; F145-K247 VanDerWaalsContact CZ-O 3.31Å; F145-K247 WeakPolarHBondContact CZ-O 3.39Å; F145-N248 HydrophobicContact CE2-CB 4.03Å
146V88.3Confident92.9Very high120 Ų12045.4 Ų45.473%0.72724%0.241SC*.THydrogen-bonded Turntrans-101.1-7.5174-61.50000112P144P144-V146 HydrophobicContact CB-CG2 4.17Å; P144-V146 HydrophobicContact CG-CG2 4.32Å; P144-V146 PolarHBondContact O-N 2.91Å
147R91.3Very high93.3Very high149 Ų14944.9 Ų44.956%0.56224%0.238SC*.SBendtrans-144.3163.2-179.961.7179.8178.288.6-4.1108.8V149 P198R147-V149 PolarHBondContact O-N 3.48Å; R147-P198 WeakPolarHBondContact O-CD 3.38Å; R147-P198 WeakPolarHBondContact O-CG 3.32Å
148P94.4Very high93.5Very high56 Ų5643.3 Ų43.336%0.36424%0.235SC..  trans-55.4138.2172.7-25.135.1000111.6V195 F196P148-V195 HydrophobicContact CB-CG1 3.67Å; P148-F196 CarbonylContact C-O 3.58Å; P148-F196 WeakPolarHBondContact CA-O 3.34Å
149V94.8Very high93.5Very high7 Ų741.7 Ų41.74%0.04223%0.228CC..EExtended strand (participates in β ladder)trans-124.5139.1179.8-68.90000109.4F141 E142 F145 R147 V195 F196F141-V149 HydrophobicContact CB-CG2 4.05Å; F141-V149 HydrophobicContact CD1-CG2 4.11Å; E142-V149 WeakPolarHBondContact O-CG1 3.31Å; F145-V149 HydrophobicContact CD1-CG2 3.99Å; F145-V149 HydrophobicContact CE1-CG2 4.09Å; R147-V149 PolarHBondContact O-N 3.48Å; V149-V195 WeakPolarHBondContact O-CA 3.24Å; V149-F196 HydrophobicContact CG2-CB 4.09Å; V149-F196 HydrophobicContact CG2-CD1 3.71Å; V149-F196 HydrophobicContact CG2-CG 4.42Å; V149-F196 PolarHBondContact N-O 3.02Å; V149-F196 PolarHBondContact O-N 2.86Å
150T96.2Very high93.2Very high82 Ų8250 Ų5050%0.50326%0.264SS..EExtended strand (participates in β ladder)trans-110138.1-173.8-540000110.3V194 V195T150-V194 CarbonylContact C-O 3.58Å; T150-V194 VanDerWaalsContact CA-O 3.31Å; T150-V194 WeakPolarHBondContact CA-O 3.25Å; T150-V195 HydrophobicContact CG2-CG2 4.27Å
151S96.6Very high93Very high19 Ų1952.8 Ų52.813%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-123.4154.8166.4-158.70000108.9L139 V140 V194L139-S151 WeakPolarHBondContact CD1-OG 3.45Å; V140-S151 VanDerWaalsContact O-CB 3.29Å; V140-S151 WeakPolarHBondContact O-CB 3.47Å; V140-S151 PolarHBondContact O-OG 2.72Å; S151-V194 PolarHBondContact N-O 2.88Å; S151-V194 PolarHBondContact O-N 3.46Å
152V97.4Very high92.9Very high66 Ų6655 Ų5540%0.429%0.289SS..EExtended strand (participates in β ladder)trans-114.1135.4-176179.60000109.8E191 I192V152-E191 HydrophobicContact CG1-CB 3.97Å; V152-E191 HydrophobicContact CG1-CG 4.26Å; V152-I192 WeakPolarHBondContact CA-O 3.35Å
153V97.3Very high92.8Very high0 Ų049.9 Ų49.90%027%0.265CS..EExtended strand (participates in β ladder)trans-114.5122.6169.6-179.10000108.2V133 E134 L139 L155 I192 V194 I213 L242V133-V153 HydrophobicContact CG1-CG1 3.83Å; E134-V153 CarbonylContact O-C 3.5Å; E134-V153 WeakPolarHBondContact O-CA 3.45Å; L139-V153 HydrophobicContact CD1-CG2 3.56Å; L139-V153 HydrophobicContact CD2-CG2 3.89Å; L139-V153 HydrophobicContact CG-CG2 4.35Å; V153-L155 HydrophobicContact CG1-CD2 3.8Å; V153-L155 HydrophobicContact CG1-CG 4.44Å; V153-I192 HydrophobicContact CB-CB 4.4Å; V153-I192 PolarHBondContact N-O 3.44Å; V153-I192 PolarHBondContact O-N 3.36Å; V153-V194 HydrophobicContact CG2-CG2 4.06Å; V153-I213 HydrophobicContact CG1-CD1 4.05Å; V153-L242 HydrophobicContact CG1-CD1 3.99Å; V153-L242 HydrophobicContact CG2-CD1 3.64Å
154K97.5Very high93.1Very high64 Ų6449.5 Ų49.528%0.27826%0.261SS..EExtended strand (participates in β ladder)trans-95.9125.7172.2-176-179.5178.5-173.70109.5E134 N189 V190 E191E134-K154 HydrophobicContact CB-CB 4.33Å; E134-K154 PolarHBondContact N-O 3.3Å; E134-K154 PolarHBondContact O-N 3.27Å; K154-N189 HydrophobicContact CG-CB 4.47Å; K154-V190 WeakPolarHBondContact CA-O 3.33Å; K154-E191 HydrophobicContact CB-CG 4.41Å; K154-E191 HydrophobicContact CG-CG 4.35Å
155L96.7Very high93.4Very high0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-108.3124.6173.1-55-176000108.6L131 H132 V133 V153 F165 I184 N189 V190 I192 I213L131-L155 HydrophobicContact CD1-CB 4.25Å; L131-L155 HydrophobicContact CD2-CB 3.97Å; L131-L155 HydrophobicContact CD2-CD1 3.83Å; L131-L155 HydrophobicContact CD2-CD2 4.12Å; L131-L155 HydrophobicContact CD2-CG 4.2Å; L131-L155 HydrophobicContact CG-CB 4.19Å; H132-L155 WeakPolarHBondContact O-CA 3.43Å; V133-L155 HydrophobicContact CB-CD2 4.23Å; V133-L155 HydrophobicContact CG1-CD2 3.96Å; V133-L155 HydrophobicContact CG2-CD2 3.83Å; V153-L155 HydrophobicContact CG1-CD2 3.8Å; V153-L155 HydrophobicContact CG1-CG 4.44Å; L155-F165 HydrophobicContact CD1-CB 3.91Å; L155-F165 HydrophobicContact CD1-CD1 4.25Å; L155-F165 HydrophobicContact CD1-CD2 3.64Å; L155-F165 HydrophobicContact CD1-CE2 4.24Å; L155-F165 HydrophobicContact CD1-CG 3.65Å; L155-I184 HydrophobicContact CB-CD1 3.64Å; L155-I184 HydrophobicContact CD1-CD1 4.39Å; L155-N189 CarbonylContact O-C 3.59Å; L155-N189 WeakPolarHBondContact O-CA 3.46Å; L155-N189 VanDerWaalsContact O-CB 3.3Å; L155-N189 WeakPolarHBondContact O-CB 3.46Å; L155-V190 HydrophobicContact CB-CG1 3.9Å; L155-V190 HydrophobicContact CD1-CG1 4.41Å; L155-V190 HydrophobicContact CG-CG1 4.42Å; L155-V190 PolarHBondContact N-O 2.78Å; L155-V190 PolarHBondContact O-N 2.75Å; L155-I192 HydrophobicContact CD1-CD1 3.39Å; L155-I192 HydrophobicContact CD1-CG1 4.44Å; L155-I192 HydrophobicContact CG-CD1 3.92Å; L155-I213 HydrophobicContact CD1-CG2 4.23Å; L155-I213 HydrophobicContact CD2-CD1 4.08Å; L155-I213 HydrophobicContact CD2-CG2 4.25Å
156T95.8Very high93.7Very high33 Ų3349.6 Ų49.620%0.20226%0.256CS..EExtended strand (participates in β ladder)trans-117.4128.1178.2-560000109.2L131 H132 P158 N189L131-T156 VanDerWaalsContact CD1-O 3.3Å; L131-T156 WeakPolarHBondContact CD1-O 3.29Å; H132-T156 PolarHBondContact N-O 2.99Å; H132-T156 PolarHBondContact O-N 3.25Å; T156-P158 WeakPolarHBondContact O-CD 3.22Å; T156-N189 HydrophobicContact CG2-CB 4.28Å
157N94.6Very high94.1Very high0 Ų044.3 Ų44.30%022%0.223CC..  trans-91.2103174.9178.414.1000109.7L131 S159 Q161 V163 I184 S185 H187 E188L131-N157 HydrophobicContact CD1-CB 4.25Å; N157-S159 PolarHBondContact O-N 2.91Å; N157-S159 WeakPolarHBondContact OD1-CB 3.46Å; N157-S159 PolarHBondContact OD1-N 2.96Å; N157-S159 PolarHBondContact OD1-OG 2.87Å; N157-Q161 PolarHBondContact ND2-O 2.84Å; N157-V163 WeakPolarHBondContact OD1-CG2 3.29Å; N157-I184 HydrophobicContact CB-CB 4.04Å; N157-I184 HydrophobicContact CB-CG2 3.53Å; N157-I184 PolarHBondContact ND2-O 3.33Å; N157-S185 PolarHBondContact ND2-O 3.22Å; N157-H187 WeakPolarHBondContact O-CA 3.32Å; N157-H187 PolarHBondContact O-N 2.72Å; N157-H187 VanDerWaalsContact O-N 3.12Å; N157-E188 PolarHBondContact N-O 2.95Å
158P92Very high94.3Very high28 Ų2839.2 Ų39.218%0.18221%0.211CC..  trans-75.4-14.6177.433.4-39.2000113.3P128 E130 T156 H187P128-P158 WeakPolarHBondContact O-CG 3.35Å; E130-P158 VanDerWaalsContact O-CD 3.24Å; E130-P158 WeakPolarHBondContact O-CD 3.31Å; E130-P158 WeakPolarHBondContact O-CG 3.31Å; T156-P158 WeakPolarHBondContact O-CD 3.22Å; P158-H187 PolarHBondContact O-CE1 3.42Å; P158-H187 PolarHBondContact O-ND1 3.24Å
159S90.6Very high94.3Very high7 Ų737.6 Ų37.65%0.04920%0.202CC..SBendtrans-85.9164.3-170.581.60000112.6N157 Q161 S186 H187N157-S159 PolarHBondContact O-N 2.91Å; N157-S159 WeakPolarHBondContact OD1-CB 3.46Å; N157-S159 PolarHBondContact OD1-N 2.96Å; N157-S159 PolarHBondContact OD1-OG 2.87Å; S159-Q161 VanDerWaalsContact C-N 3.29Å; S159-Q161 PolarHBondContact OG-N 3.02Å; S159-Q161 PolarHBondContact OG-O 3.05Å; S159-S186 WeakPolarHBondContact O-CA 3.26Å; S159-S186 PolarHBondContact O-OG 3.43Å; S159-H187 PolarHBondContact O-N 3.41Å
160F90.2Very high94.2Very high174 Ų17440.4 Ų40.476%0.76322%0.222SC*.SBendtrans-78.4-11.7174.1-69.3-77.9000113.9S186 H187F160-S186 WeakPolarHBondContact CA-OG 3.36Å; F160-S186 WeakPolarHBondContact O-CB 3.18Å; F160-H187 AromaticContact CD1-NE2 3.36Å; F160-H187 WeakPolarHBondContact CD1-NE2 3.32Å; F160-H187 AromaticContact CE1-NE2 3.13Å; F160-H187 WeakPolarHBondContact CE1-NE2 3.36Å; F160-H187 AromaticContact CZ-NE2 3.63Å
161Q89.4Confident94Very high96 Ų9638 Ų3845%0.44921%0.208SC..SBendtrans-100.9147.3-178.2-67.5-175.6-5.900110.3N157 S159 V163 V217N157-Q161 PolarHBondContact ND2-O 2.84Å; S159-Q161 VanDerWaalsContact C-N 3.29Å; S159-Q161 PolarHBondContact OG-N 3.02Å; S159-Q161 PolarHBondContact OG-O 3.05Å; Q161-V163 PolarHBondContact O-N 3.24Å; Q161-V217 HydrophobicContact CB-CG1 3.52Å; Q161-V217 HydrophobicContact CG-CG1 4.33Å
162P91Very high93.8Very high47 Ų4741.4 Ų41.431%0.30523%0.23SC..  trans-61.5138.3172.6-19.731.7000111.1V183 I184 A218 P224P162-V183 HydrophobicContact CB-CG1 3.99Å; P162-I184 WeakPolarHBondContact CA-O 3.2Å; P162-A218 HydrophobicContact CB-CB 4.19Å; P162-A218 WeakPolarHBondContact O-CB 2.98Å; P162-A218 PolarHBondContact O-N 3.44Å; P162-P224 HydrophobicContact CB-CG 4.2Å
163V91.2Very high93.6Very high2 Ų245.5 Ų45.51%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-115.2124.3178.2176.70000109.5L131 N157 Q161 V183 I184 V217L131-V163 HydrophobicContact CD1-CG1 4.22Å; N157-V163 WeakPolarHBondContact OD1-CG2 3.29Å; Q161-V163 PolarHBondContact O-N 3.24Å; V163-V183 WeakPolarHBondContact O-CA 3.17Å; V163-I184 PolarHBondContact N-O 3.49Å; V163-I184 PolarHBondContact O-N 2.92Å; V163-V217 HydrophobicContact CG2-CG2 4.34Å
164C92.7Very high93.4Very high0 Ų047.5 Ų47.50%026%0.259CS..EExtended strand (participates in β ladder)trans-82.1140.5169.5-62.90000109.3G182 S215 A216 L231 F232C164-G182 CarbonylContact C-O 3.48Å; C164-G182 WeakPolarHBondContact CA-O 3.48Å; C164-S215 CarbonylContact O-C 3.58Å; C164-S215 VanDerWaalsContact O-CA 3.22Å; C164-S215 WeakPolarHBondContact O-CA 3.42Å; C164-A216 PolarHBondContact N-O 2.98Å; C164-A216 PolarHBondContact O-N 2.8Å; C164-L231 HydrophobicContact CB-CD1 4.48Å; C164-L231 WeakPolarHBondContact SG-CD1 3.45Å; C164-F232 HydrophobicContact CB-CE2 4.28Å; C164-F232 HydrophobicContact CB-CZ 4.12Å
165F94.1Very high93.3Very high3 Ų345.1 Ų45.11%0.01325%0.248CC..EExtended strand (participates in β ladder)trans-128.7151.9173.672.3-87.7000111.3L131 L155 P179 I181 G182 I184 V190 I192 Q214L131-F165 HydrophobicContact CD2-CB 4.16Å; L155-F165 HydrophobicContact CD1-CB 3.91Å; L155-F165 HydrophobicContact CD1-CD1 4.25Å; L155-F165 HydrophobicContact CD1-CD2 3.64Å; L155-F165 HydrophobicContact CD1-CE2 4.24Å; L155-F165 HydrophobicContact CD1-CG 3.65Å; F165-P179 HydrophobicContact CE2-CG 4.32Å; F165-P179 HydrophobicContact CZ-CB 4.38Å; F165-P179 HydrophobicContact CZ-CG 3.83Å; F165-I181 VanDerWaalsContact O-CA 3.32Å; F165-I181 WeakPolarHBondContact O-CA 3.24Å; F165-I181 WeakPolarHBondContact O-CG1 3.39Å; F165-G182 WeakPolarHBondContact CD1-O 3.27Å; F165-G182 VanDerWaalsContact CE1-CA 3.43Å; F165-G182 PolarHBondContact N-O 3Å; F165-G182 PolarHBondContact O-N 3.12Å; F165-I184 HydrophobicContact CD1-CD1 3.67Å; F165-I184 HydrophobicContact CD1-CG1 3.7Å; F165-I184 HydrophobicContact CE1-CD1 4.1Å; F165-I184 HydrophobicContact CE1-CG1 3.8Å; F165-I184 HydrophobicContact CG-CD1 4.45Å; F165-V190 HydrophobicContact CD1-CG1 4.42Å; F165-V190 HydrophobicContact CE1-CG1 3.77Å; F165-V190 HydrophobicContact CZ-CG1 3.97Å; F165-I192 HydrophobicContact CD2-CD1 3.82Å; F165-I192 HydrophobicContact CE2-CD1 3.47Å; F165-I192 VanDerWaalsContact CE2-CD1 3.47Å; F165-I192 HydrophobicContact CE2-CG1 4.16Å; F165-I192 HydrophobicContact CZ-CD1 4.25Å; F165-Q214 CarbonylContact C-O 3.56Å; F165-Q214 VanDerWaalsContact CA-O 3.24Å; F165-Q214 WeakPolarHBondContact CA-O 3.37Å
166K94.9Very high93.3Very high89 Ų8947.3 Ų47.339%0.38726%0.264SS..EExtended strand (participates in β ladder)trans-138.7129.1169.9-179.2-176176.9-173.20108.7S180 I181 I213 Q214 F232K166-S180 CarbonylContact C-O 3.57Å; K166-S180 WeakPolarHBondContact CA-O 3.38Å; K166-I181 HydrophobicContact CB-CG1 4.19Å; K166-I181 HydrophobicContact CG-CG1 4.48Å; K166-I213 CarbonylContact O-C 3.54Å; K166-I213 WeakPolarHBondContact O-CA 3.32Å; K166-Q214 PolarHBondContact N-O 3.26Å; K166-Q214 PolarHBondContact O-N 2.99Å; K166-F232 HydrophobicContact CB-CE1 4.31Å; K166-F232 HydrophobicContact CB-CE2 3.85Å; K166-F232 HydrophobicContact CB-CZ 3.73Å
167I96.6Very high93.3Very high9 Ų946.5 Ų46.55%0.04626%0.261CS..EExtended strand (participates in β ladder)trans-111136.2174.9-175.3169000110.2A177 S180 I192 V194 M211 L212 I213I167-A177 HydrophobicContact CD1-CB 4.49Å; I167-A177 HydrophobicContact CG2-CB 3.56Å; I167-S180 WeakPolarHBondContact CG2-O 3.19Å; I167-S180 PolarHBondContact N-O 3.12Å; I167-I192 HydrophobicContact CD1-CG2 4.32Å; I167-I192 HydrophobicContact CG2-CD1 4.12Å; I167-I192 HydrophobicContact CG2-CG2 4.17Å; I167-V194 HydrophobicContact CD1-CG2 3.99Å; I167-M211 HydrophobicContact CD1-CB 4.26Å; I167-M211 HydrophobicContact CD1-CE 3.64Å; I167-M211 HydrophobicContact CG1-CB 4.35Å; I167-M211 HydrophobicContact CG1-CE 3.61Å; I167-L212 CarbonylContact C-O 3.59Å; I167-L212 WeakPolarHBondContact CA-O 3.37Å; I167-I213 HydrophobicContact CB-CG1 4.26Å; I167-I213 HydrophobicContact CD1-CG1 3.98Å; I167-I213 HydrophobicContact CG1-CG1 3.97Å
168S95.7Very high93.4Very high42 Ų4251 Ų5129%0.29429%0.288SS..EExtended strand (participates in β ladder)trans-140.3151.4179.356.20000110.5M211 L212S168-M211 CarbonylContact O-C 3.59Å; S168-M211 VanDerWaalsContact O-CA 3.31Å; S168-M211 WeakPolarHBondContact O-CA 3.34Å; S168-L212 PolarHBondContact N-O 2.89Å; S168-L212 PolarHBondContact O-N 2.89Å; S168-L212 PolarHBondContact OG-O 2.93Å
169A95.1Very high93.6Very high21 Ų2152 Ų5217%0.17429%0.294CS..EExtended strand (participates in β ladder)trans-105.8152.5178.600000111.1S171 F175 R210 M211A169-S171 PolarHBondContact O-N 2.83Å; A169-F175 HydrophobicContact CB-CB 3.48Å; A169-F175 VanDerWaalsContact CB-CB 3.48Å; A169-F175 HydrophobicContact CB-CD2 3.88Å; A169-F175 HydrophobicContact CB-CG 3.88Å; A169-R210 WeakPolarHBondContact CA-O 3.47Å; A169-M211 HydrophobicContact CB-CE 4.06Å; A169-M211 HydrophobicContact CB-SD 3.66Å
170S92.9Very high93.8Very high66 Ų6654.5 Ų54.546%0.46231%0.312SS..SBendtrans-61.6-32171.244.60000113.2E209 R210S170-E209 VanDerWaalsContact OG-CA 3.32Å; S170-E209 WeakPolarHBondContact OG-CA 3.37Å; S170-E209 PolarHBondContact OG-OE2 2.88Å; S170-R210 PolarHBondContact N-O 3.01Å; S170-R210 PolarHBondContact OG-N 2.68Å; S170-R210 PolarHBondContact OG-O 2.92Å
171S91.9Very high94Very high31 Ų3149.3 Ų49.322%0.21729%0.292CS..SBendtrans-122.578.7177.5-59.50000110.1A169 D173 H174 F175 E209A169-S171 PolarHBondContact O-N 2.83Å; S171-D173 PolarHBondContact O-N 3.18Å; S171-H174 PolarHBondContact O-N 2.82Å; S171-F175 WeakPolarHBondContact O-CD2 3.22Å; S171-F175 PolarHBondContact O-N 3.49Å; S171-E209 WeakPolarHBondContact CB-OE2 3.36Å; S171-E209 PolarHBondContact N-OE2 2.86Å; S171-E209 PolarHBondContact OG-OE1 2.84Å; S171-E209 PolarHBondContact OG-OE2 2.83Å
172P92.5Very high94.2Very high92 Ų9245.4 Ų45.460%0.59728%0.277SS*.THydrogen-bonded Turntrans-59.3-22.3-172.824.5-34.8000113.9H174 F175P172-H174 VanDerWaalsContact C-N 3.26Å; P172-H174 PolarHBondContact O-N 3.16Å; P172-F175 VanDerWaalsContact O-O 3.07Å
173D92.3Very high94.3Very high151 Ų15145 Ų4581%0.80727%0.274SS*.THydrogen-bonded Turntrans-69.4-23.3176.6-59.3-33.6000113.1S171S171-D173 PolarHBondContact O-N 3.18Å
174H93.2Very high94.4Very high43 Ų4345.1 Ų45.120%0.19927%0.274CS..THydrogen-bonded Turntrans-103.9-10.9-179.2-65.3-68000113.5S171 P172 F196 H197 N199 F201S171-H174 PolarHBondContact O-N 2.82Å; P172-H174 VanDerWaalsContact C-N 3.26Å; P172-H174 PolarHBondContact O-N 3.16Å; H174-F196 HydrophobicContact CB-CD2 4.21Å; H174-F196 HydrophobicContact CB-CE2 4.02Å; H174-F196 CarbonylContact O-C 3.57Å; H174-F196 WeakPolarHBondContact O-CA 3.36Å; H174-H197 PolarHBondContact ND1-O 2.89Å; H174-H197 PolarHBondContact O-N 3.15Å; H174-H197 PolarHBondContact O-ND1 3.43Å; H174-N199 PolarHBondContact CE1-O 3.49Å; H174-N199 VanDerWaalsContact CE1-O 3.24Å; H174-N199 PolarHBondContact ND1-O 3.38Å; H174-F201 HydrophobicContact CB-CD2 4.3Å; H174-F201 AromaticContact CD2-CD2 3.73Å; H174-F201 AromaticContact CG-CD2 3.76Å; H174-F201 AromaticContact ND1-CD2 3.97Å; H174-F201 AromaticContact NE2-CD2 3.93Å
175F95.9Very high94.4Very high13 Ų1348.6 Ų48.66%0.05730%0.298CS..EExtended strand (participates in β ladder)trans-129.5134.1-174.1-66.6-88000111.7F141 A169 S171 P172 V194 V195 F196 E209 M211 C244 F246F141-F175 HydrophobicContact CE1-CE1 4.38Å; F141-F175 AromaticContact CE2-CE1 3.88Å; F141-F175 HydrophobicContact CE2-CE1 3.88Å; F141-F175 HydrophobicContact CZ-CD1 4.11Å; F141-F175 AromaticContact CZ-CE1 3.76Å; F141-F175 HydrophobicContact CZ-CE1 3.76Å; A169-F175 HydrophobicContact CB-CB 3.48Å; A169-F175 VanDerWaalsContact CB-CB 3.48Å; A169-F175 HydrophobicContact CB-CD2 3.88Å; A169-F175 HydrophobicContact CB-CG 3.88Å; S171-F175 WeakPolarHBondContact O-CD2 3.22Å; S171-F175 PolarHBondContact O-N 3.49Å; P172-F175 VanDerWaalsContact O-O 3.07Å; F175-V194 HydrophobicContact CD1-CG1 4.25Å; F175-V195 CarbonylContact C-O 3.57Å; F175-V195 VanDerWaalsContact CA-O 3.31Å; F175-V195 WeakPolarHBondContact CA-O 3.22Å; F175-F196 HydrophobicContact CD1-CB 3.93Å; F175-F196 HydrophobicContact CD1-CD2 4Å; F175-F196 HydrophobicContact CD1-CG 4.45Å; F175-F196 HydrophobicContact CD2-CD2 4.44Å; F175-F196 HydrophobicContact CE1-CB 3.76Å; F175-F196 AromaticContact CE1-CD2 3.54Å; F175-F196 HydrophobicContact CE1-CD2 3.54Å; F175-F196 AromaticContact CE1-CG 3.99Å; F175-F196 HydrophobicContact CE1-CG 3.99Å; F175-F196 HydrophobicContact CE2-CD2 4.02Å; F175-F196 HydrophobicContact CE2-CE2 4.4Å; F175-F196 HydrophobicContact CG-CD2 4.45Å; F175-F196 AromaticContact CZ-CD2 3.57Å; F175-F196 HydrophobicContact CZ-CD2 3.57Å; F175-F196 HydrophobicContact CZ-CE2 4.13Å; F175-F196 HydrophobicContact CZ-CG 4.39Å; F175-E209 HydrophobicContact CE2-CB 4.1Å; F175-E209 HydrophobicContact CE2-CG 3.95Å; F175-E209 HydrophobicContact CZ-CB 4.03Å; F175-E209 HydrophobicContact CZ-CG 4.15Å; F175-M211 HydrophobicContact CD1-SD 4.34Å; F175-M211 HydrophobicContact CG-SD 4.48Å; F175-C244 HydrophobicContact CE1-CB 4.48Å; F175-C244 HydrophobicContact CZ-CB 4.21Å; F175-F246 HydrophobicContact CE1-CZ 4.46Å; F175-F246 HydrophobicContact CZ-CE1 4.35Å; F175-F246 AromaticContact CZ-CZ 3.81Å; F175-F246 HydrophobicContact CZ-CZ 3.81Å
176S95.7Very high94.4Very high47 Ų4750.3 Ų50.333%0.32931%0.311SS..EExtended strand (participates in β ladder)trans-120.5149.1165.570.20000110.2V194 V195 H197S176-V194 CarbonylContact O-C 3.54Å; S176-V194 VanDerWaalsContact O-CA 3.32Å; S176-V194 WeakPolarHBondContact O-CA 3.44Å; S176-V195 PolarHBondContact N-O 2.79Å; S176-V195 PolarHBondContact O-N 3.39Å; S176-H197 PolarHBondContact OG-CE1 3.34Å
177A97.1Very high94.3Very high16 Ų1651 Ų5113%0.13232%0.315CS..EExtended strand (participates in β ladder)trans-131132.8178.300000109.5I167 S180 I192 S193 V194 M211I167-A177 HydrophobicContact CD1-CB 4.49Å; I167-A177 HydrophobicContact CG2-CB 3.56Å; A177-S180 WeakPolarHBondContact O-CB 3.48Å; A177-S180 PolarHBondContact O-N 3.42Å; A177-I192 HydrophobicContact CB-CG2 4Å; A177-S193 CarbonylContact C-O 3.59Å; A177-S193 WeakPolarHBondContact CA-O 3.29Å; A177-V194 HydrophobicContact CB-CG2 4.33Å; A177-M211 HydrophobicContact CB-CE 4.46Å
178T96.7Very high94.3Very high95 Ų9555.8 Ų55.858%0.58334%0.337SS*.EExtended strand (participates in β ladder)trans-133.8119.4-179.6-54.40000110.4S193T178-S193 PolarHBondContact N-O 2.9Å; T178-S193 PolarHBondContact O-N 2.81Å
179P96.7Very high94.4Very high47 Ų4757.4 Ų57.431%0.30534%0.343SS..SBendcis-67.2142.3-12.529.5-35.5000112.2F165 V190 I192F165-P179 HydrophobicContact CE2-CG 4.32Å; F165-P179 HydrophobicContact CZ-CB 4.38Å; F165-P179 HydrophobicContact CZ-CG 3.83Å; P179-V190 HydrophobicContact CG-CG2 4.05Å; P179-I192 HydrophobicContact CG-CG1 4.39Å; P179-I192 WeakPolarHBondContact O-CG2 3.33Å
180S94.4Very high94.5Very high61 Ų6158 Ų5843%0.42734%0.344SS..SBendtrans-83.3-19.2174.662.40000113.4K166 I167 A177K166-S180 CarbonylContact C-O 3.57Å; K166-S180 WeakPolarHBondContact CA-O 3.38Å; I167-S180 WeakPolarHBondContact CG2-O 3.19Å; I167-S180 PolarHBondContact N-O 3.12Å; A177-S180 WeakPolarHBondContact O-CB 3.48Å; A177-S180 PolarHBondContact O-N 3.42Å
181I93.9Very high94.7Very high65 Ų6560.8 Ų60.833%0.33335%0.35SS..EExtended strand (participates in β ladder)trans-148.2146.3178.5-161.1-178.2000108.3F165 K166 Q228 F232F165-I181 VanDerWaalsContact O-CA 3.32Å; F165-I181 WeakPolarHBondContact O-CA 3.24Å; F165-I181 WeakPolarHBondContact O-CG1 3.39Å; K166-I181 HydrophobicContact CB-CG1 4.19Å; K166-I181 HydrophobicContact CG-CG1 4.48Å; I181-Q228 HydrophobicContact CD1-CB 3.91Å; I181-Q228 VanDerWaalsContact CD1-OE1 3.3Å; I181-F232 HydrophobicContact CD1-CE2 4.33Å; I181-F232 HydrophobicContact CG1-CE2 4.44Å
182G93.1Very high95Very high13 Ų1359.3 Ų59.313%0.13434%0.34CS..EExtended strand (participates in β ladder)trans-178.4-173.1177.100000113.2C164 F165C164-G182 CarbonylContact C-O 3.48Å; C164-G182 WeakPolarHBondContact CA-O 3.48Å; F165-G182 WeakPolarHBondContact CD1-O 3.27Å; F165-G182 VanDerWaalsContact CE1-CA 3.43Å; F165-G182 PolarHBondContact N-O 3Å; F165-G182 PolarHBondContact O-N 3.12Å
183V92.9Very high95.3Very high39 Ų3957.4 Ų57.424%0.23633%0.328CS..EExtended strand (participates in β ladder)trans-128.2132.4178.9-174.30000108.1P162 V163 P224 K225 Q228P162-V183 HydrophobicContact CB-CG1 3.99Å; V163-V183 WeakPolarHBondContact O-CA 3.17Å; V183-P224 HydrophobicContact CB-CB 4.36Å; V183-P224 HydrophobicContact CG1-CB 3.65Å; V183-P224 HydrophobicContact CG1-CG 3.66Å; V183-P224 HydrophobicContact CG2-CB 3.77Å; V183-P224 HydrophobicContact CG2-CG 4.29Å; V183-P224 WeakPolarHBondContact CG2-O 3.44Å; V183-K225 HydrophobicContact CG2-CG 4.34Å; V183-Q228 HydrophobicContact CG2-CG 4.4Å
184I94.3Very high95.5Very high5 Ų550.2 Ų50.23%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-108.6119.9176.2-53.1162.9000106.9L131 L155 N157 P162 V163 F165 E188 V190L131-I184 HydrophobicContact CD1-CD1 3.56Å; L131-I184 HydrophobicContact CD2-CD1 4.3Å; L155-I184 HydrophobicContact CB-CD1 3.64Å; L155-I184 HydrophobicContact CD1-CD1 4.39Å; N157-I184 HydrophobicContact CB-CB 4.04Å; N157-I184 HydrophobicContact CB-CG2 3.53Å; N157-I184 PolarHBondContact ND2-O 3.33Å; P162-I184 WeakPolarHBondContact CA-O 3.2Å; V163-I184 PolarHBondContact N-O 3.49Å; V163-I184 PolarHBondContact O-N 2.92Å; F165-I184 HydrophobicContact CD1-CD1 3.67Å; F165-I184 HydrophobicContact CD1-CG1 3.7Å; F165-I184 HydrophobicContact CE1-CD1 4.1Å; F165-I184 HydrophobicContact CE1-CG1 3.8Å; F165-I184 HydrophobicContact CG-CD1 4.45Å; I184-E188 HydrophobicContact CG2-CB 3.96Å; I184-E188 WeakPolarHBondContact CG2-O 3.46Å; I184-V190 HydrophobicContact CD1-CG1 3.55Å; I184-V190 HydrophobicContact CG1-CB 4.33Å; I184-V190 HydrophobicContact CG1-CG1 3.64Å
185S93.5Very high95.7Very high72 Ų7249.4 Ų49.450%0.50329%0.288SS..  trans-64.6168.1175.4-61.50000111N157 H187 E188N157-S185 PolarHBondContact ND2-O 3.22Å; S185-H187 PolarHBondContact O-N 3.37Å; S185-E188 PolarHBondContact O-N 3.32Å
186S92.8Very high95.7Very high40 Ų4048.8 Ų48.828%0.2829%0.285SS..THydrogen-bonded Turntrans-50.1130.3173.2172.50000111.9S159 F160 E188S159-S186 WeakPolarHBondContact O-CA 3.26Å; S159-S186 PolarHBondContact O-OG 3.43Å; F160-S186 WeakPolarHBondContact CA-OG 3.36Å; F160-S186 WeakPolarHBondContact O-CB 3.18Å; S186-E188 PolarHBondContact O-N 2.69Å
187H93.6Very high95.6Very high102 Ų10249.4 Ų49.447%0.47228%0.283SS..THydrogen-bonded Turntrans56.812.1179-55.3-59000116.5N157 P158 S159 F160 S185N157-H187 WeakPolarHBondContact O-CA 3.32Å; N157-H187 PolarHBondContact O-N 2.72Å; N157-H187 VanDerWaalsContact O-N 3.12Å; P158-H187 PolarHBondContact O-CE1 3.42Å; P158-H187 PolarHBondContact O-ND1 3.24Å; S159-H187 PolarHBondContact O-N 3.41Å; F160-H187 AromaticContact CD1-NE2 3.36Å; F160-H187 WeakPolarHBondContact CD1-NE2 3.32Å; F160-H187 AromaticContact CE1-NE2 3.13Å; F160-H187 WeakPolarHBondContact CE1-NE2 3.36Å; F160-H187 AromaticContact CZ-NE2 3.63Å; S185-H187 PolarHBondContact O-N 3.37Å
188E96.5Very high95.3Very high110 Ų11049.1 Ų49.151%0.51428%0.279SS..  trans-92.1167.6176.2-71.2-63.9155.500111.3N157 I184 S185 S186N157-E188 PolarHBondContact N-O 2.95Å; I184-E188 HydrophobicContact CG2-CB 3.96Å; I184-E188 WeakPolarHBondContact CG2-O 3.46Å; S185-E188 PolarHBondContact O-N 3.32Å; S186-E188 PolarHBondContact O-N 2.69Å
189N97.1Very high94.9Very high77 Ų7749.5 Ų49.541%0.41228%0.278SS..EExtended strand (participates in β ladder)trans-132.7161.41726482.9000111.5K154 L155 T156K154-N189 HydrophobicContact CG-CB 4.47Å; L155-N189 CarbonylContact O-C 3.59Å; L155-N189 WeakPolarHBondContact O-CA 3.46Å; L155-N189 VanDerWaalsContact O-CB 3.3Å; L155-N189 WeakPolarHBondContact O-CB 3.46Å; T156-N189 HydrophobicContact CG2-CB 4.28Å
190V97.3Very high94.2Very high34 Ų3455 Ų5521%0.20631%0.305CS..EExtended strand (participates in β ladder)trans-136.6139.2173.765.10000109.4K154 L155 F165 P179 I184K154-V190 WeakPolarHBondContact CA-O 3.33Å; L155-V190 HydrophobicContact CB-CG1 3.9Å; L155-V190 HydrophobicContact CD1-CG1 4.41Å; L155-V190 HydrophobicContact CG-CG1 4.42Å; L155-V190 PolarHBondContact N-O 2.78Å; L155-V190 PolarHBondContact O-N 2.75Å; F165-V190 HydrophobicContact CD1-CG1 4.42Å; F165-V190 HydrophobicContact CE1-CG1 3.77Å; F165-V190 HydrophobicContact CZ-CG1 3.97Å; P179-V190 HydrophobicContact CG-CG2 4.05Å; I184-V190 HydrophobicContact CD1-CG1 3.55Å; I184-V190 HydrophobicContact CG1-CB 4.33Å; I184-V190 HydrophobicContact CG1-CG1 3.64Å
191E97.9Very high93.8Very high124 Ų12453 Ų5358%0.57929%0.289SS*.EExtended strand (participates in β ladder)trans-98.3127.2170.2-68-173.617400109.9V152 K154V152-E191 HydrophobicContact CG1-CB 3.97Å; V152-E191 HydrophobicContact CG1-CG 4.26Å; K154-E191 HydrophobicContact CB-CG 4.41Å; K154-E191 HydrophobicContact CG-CG 4.35Å
192I97.8Very high93.3Very high0 Ų053.9 Ų53.90%029%0.294CS..EExtended strand (participates in β ladder)trans-105.7119.7177.5-59.5175.4000108.1V152 V153 L155 F165 I167 A177 P179 V194V152-I192 WeakPolarHBondContact CA-O 3.35Å; V153-I192 HydrophobicContact CB-CB 4.4Å; V153-I192 PolarHBondContact N-O 3.44Å; V153-I192 PolarHBondContact O-N 3.36Å; L155-I192 HydrophobicContact CD1-CD1 3.39Å; L155-I192 HydrophobicContact CD1-CG1 4.44Å; L155-I192 HydrophobicContact CG-CD1 3.92Å; F165-I192 HydrophobicContact CD2-CD1 3.82Å; F165-I192 HydrophobicContact CE2-CD1 3.47Å; F165-I192 VanDerWaalsContact CE2-CD1 3.47Å; F165-I192 HydrophobicContact CE2-CG1 4.16Å; F165-I192 HydrophobicContact CZ-CD1 4.25Å; I167-I192 HydrophobicContact CD1-CG2 4.32Å; I167-I192 HydrophobicContact CG2-CD1 4.12Å; I167-I192 HydrophobicContact CG2-CG2 4.17Å; A177-I192 HydrophobicContact CB-CG2 4Å; P179-I192 HydrophobicContact CG-CG1 4.39Å; P179-I192 WeakPolarHBondContact O-CG2 3.33Å; I192-V194 HydrophobicContact CG2-CG2 4.11Å; I192-V194 PolarHBondContact O-N 2.81Å
193S97.8Very high92.8Very high51 Ų5157.5 Ų57.536%0.35731%0.306SS..EExtended strand (participates in β ladder)trans-82.4113.3170.2-67.30000109.7A177 T178A177-S193 CarbonylContact C-O 3.59Å; A177-S193 WeakPolarHBondContact CA-O 3.29Å; T178-S193 PolarHBondContact N-O 2.9Å; T178-S193 PolarHBondContact O-N 2.81Å
194V97.7Very high91.9Very high0 Ų061.8 Ų61.80%033%0.333CS..EExtended strand (participates in β ladder)trans-99.7116.3173.9-1740000108.7L139 F141 T150 S151 V153 I167 F175 S176 A177 I192 M211L139-V194 HydrophobicContact CD2-CB 4.02Å; L139-V194 HydrophobicContact CD2-CG1 4.07Å; L139-V194 HydrophobicContact CD2-CG2 3.99Å; F141-V194 HydrophobicContact CE1-CB 4.5Å; F141-V194 HydrophobicContact CE1-CG1 4.2Å; F141-V194 WeakPolarHBondContact CE1-O 3.45Å; F141-V194 HydrophobicContact CZ-CB 4.29Å; F141-V194 HydrophobicContact CZ-CG1 3.77Å; T150-V194 CarbonylContact C-O 3.58Å; T150-V194 VanDerWaalsContact CA-O 3.31Å; T150-V194 WeakPolarHBondContact CA-O 3.25Å; S151-V194 PolarHBondContact N-O 2.88Å; S151-V194 PolarHBondContact O-N 3.46Å; V153-V194 HydrophobicContact CG2-CG2 4.06Å; I167-V194 HydrophobicContact CD1-CG2 3.99Å; F175-V194 HydrophobicContact CD1-CG1 4.25Å; S176-V194 CarbonylContact O-C 3.54Å; S176-V194 VanDerWaalsContact O-CA 3.32Å; S176-V194 WeakPolarHBondContact O-CA 3.44Å; A177-V194 HydrophobicContact CB-CG2 4.33Å; I192-V194 HydrophobicContact CG2-CG2 4.11Å; I192-V194 PolarHBondContact O-N 2.81Å; V194-M211 HydrophobicContact CG1-CE 3.64Å; V194-M211 HydrophobicContact CG1-SD 3.94Å; V194-M211 HydrophobicContact CG2-CE 4.17Å
195V97.2Very high90.9Very high27 Ų2763.4 Ų63.416%0.16435%0.346CS..EExtended strand (participates in β ladder)trans-103.6123.3179.7-171.30000109.3P148 V149 T150 F175 S176P148-V195 HydrophobicContact CB-CG1 3.67Å; V149-V195 WeakPolarHBondContact O-CA 3.24Å; T150-V195 HydrophobicContact CG2-CG2 4.27Å; F175-V195 CarbonylContact C-O 3.57Å; F175-V195 VanDerWaalsContact CA-O 3.31Å; F175-V195 WeakPolarHBondContact CA-O 3.22Å; S176-V195 PolarHBondContact N-O 2.79Å; S176-V195 PolarHBondContact O-N 3.39Å
196F95.9Very high89.5Confident0 Ų068.5 Ų68.50%036%0.36CS..EExtended strand (participates in β ladder)trans-96.4129.7170.3169.3-110.7000110.3F141 F145 P148 V149 H174 F175 P198 F201 F203 F246F141-F196 HydrophobicContact CD1-CB 3.6Å; F141-F196 HydrophobicContact CE1-CB 3.65Å; F141-F196 HydrophobicContact CG-CB 4.2Å; F141-F196 HydrophobicContact CZ-CB 4.33Å; F145-F196 HydrophobicContact CD1-CD1 4.36Å; F145-F196 HydrophobicContact CD1-CE1 4.15Å; P148-F196 CarbonylContact C-O 3.58Å; P148-F196 WeakPolarHBondContact CA-O 3.34Å; V149-F196 HydrophobicContact CG2-CB 4.09Å; V149-F196 HydrophobicContact CG2-CD1 3.71Å; V149-F196 HydrophobicContact CG2-CG 4.42Å; V149-F196 PolarHBondContact N-O 3.02Å; V149-F196 PolarHBondContact O-N 2.86Å; H174-F196 HydrophobicContact CB-CD2 4.21Å; H174-F196 HydrophobicContact CB-CE2 4.02Å; H174-F196 CarbonylContact O-C 3.57Å; H174-F196 WeakPolarHBondContact O-CA 3.36Å; F175-F196 HydrophobicContact CD1-CB 3.93Å; F175-F196 HydrophobicContact CD1-CD2 4Å; F175-F196 HydrophobicContact CD1-CG 4.45Å; F175-F196 HydrophobicContact CD2-CD2 4.44Å; F175-F196 HydrophobicContact CE1-CB 3.76Å; F175-F196 AromaticContact CE1-CD2 3.54Å; F175-F196 HydrophobicContact CE1-CD2 3.54Å; F175-F196 AromaticContact CE1-CG 3.99Å; F175-F196 HydrophobicContact CE1-CG 3.99Å; F175-F196 HydrophobicContact CE2-CD2 4.02Å; F175-F196 HydrophobicContact CE2-CE2 4.4Å; F175-F196 HydrophobicContact CG-CD2 4.45Å; F175-F196 AromaticContact CZ-CD2 3.57Å; F175-F196 HydrophobicContact CZ-CD2 3.57Å; F175-F196 HydrophobicContact CZ-CE2 4.13Å; F175-F196 HydrophobicContact CZ-CG 4.39Å; F196-P198 HydrophobicContact CD1-CB 4.45Å; F196-P198 HydrophobicContact CE1-CB 3.73Å; F196-P198 HydrophobicContact CZ-CB 4.19Å; F196-F201 HydrophobicContact CE2-CB 4.34Å; F196-F201 HydrophobicContact CE2-CD1 4.17Å; F196-F201 AromaticContact CE2-CD2 3.69Å; F196-F201 HydrophobicContact CE2-CD2 3.69Å; F196-F201 HydrophobicContact CE2-CE1 4.34Å; F196-F201 AromaticContact CE2-CE2 3.91Å; F196-F201 HydrophobicContact CE2-CE2 3.91Å; F196-F201 AromaticContact CE2-CG 3.81Å; F196-F201 HydrophobicContact CE2-CG 3.81Å; F196-F201 HydrophobicContact CE2-CZ 4.21Å; F196-F201 HydrophobicContact CZ-CB 3.9Å; F196-F201 AromaticContact CZ-CD1 3.6Å; F196-F201 HydrophobicContact CZ-CD1 3.6Å; F196-F201 AromaticContact CZ-CD2 3.93Å; F196-F201 HydrophobicContact CZ-CD2 3.93Å; F196-F201 AromaticContact CZ-CE1 3.99Å; F196-F201 HydrophobicContact CZ-CE1 3.99Å; F196-F201 HydrophobicContact CZ-CE2 4.32Å; F196-F201 AromaticContact CZ-CG 3.53Å; F196-F201 HydrophobicContact CZ-CG 3.53Å; F196-F201 HydrophobicContact CZ-CZ 4.33Å; F196-F203 HydrophobicContact CE1-CE1 4.16Å; F196-F203 AromaticContact CE1-CZ 3.75Å; F196-F203 HydrophobicContact CE1-CZ 3.75Å; F196-F203 HydrophobicContact CZ-CE1 4.19Å; F196-F203 AromaticContact CZ-CZ 3.88Å; F196-F203 HydrophobicContact CZ-CZ 3.88Å; F196-F246 HydrophobicContact CD1-CD1 4.05Å; F196-F246 AromaticContact CD1-CE1 3.54Å; F196-F246 HydrophobicContact CD1-CE1 3.54Å; F196-F246 AromaticContact CD2-CE1 3.74Å; F196-F246 HydrophobicContact CD2-CE1 3.74Å; F196-F246 HydrophobicContact CD2-CZ 4.09Å; F196-F246 AromaticContact CE1-CD1 3.89Å; F196-F246 HydrophobicContact CE1-CD1 3.89Å; F196-F246 AromaticContact CE1-CE1 3.47Å; F196-F246 HydrophobicContact CE1-CE1 3.47Å; F196-F246 VanDerWaalsContact CE1-CE1 3.47Å; F196-F246 HydrophobicContact CE1-CZ 4.34Å; F196-F246 AromaticContact CE2-CE1 3.68Å; F196-F246 HydrophobicContact CE2-CE1 3.68Å; F196-F246 AromaticContact CE2-CZ 3.83Å; F196-F246 HydrophobicContact CE2-CZ 3.83Å; F196-F246 AromaticContact CG-CE1 3.66Å; F196-F246 HydrophobicContact CG-CE1 3.66Å; F196-F246 HydrophobicContact CG-CZ 4.45Å; F196-F246 HydrophobicContact CZ-CD1 4.27Å; F196-F246 AromaticContact CZ-CE1 3.55Å; F196-F246 HydrophobicContact CZ-CE1 3.55Å; F196-F246 AromaticContact CZ-CZ 3.96Å; F196-F246 HydrophobicContact CZ-CZ 3.96Å
197H94.5Very high88.3Confident59 Ų5969.5 Ų69.527%0.27336%0.362SS..  trans-105.3106.6179.3-56.982.4000108.3H174 S176 N199H174-H197 PolarHBondContact ND1-O 2.89Å; H174-H197 PolarHBondContact O-N 3.15Å; H174-H197 PolarHBondContact O-ND1 3.43Å; S176-H197 PolarHBondContact OG-CE1 3.34Å; H197-N199 PolarHBondContact O-N 2.95Å
198P90.7Very high87.9Confident10 Ų1074.4 Ų74.47%0.06538%0.376CS..  trans-77.2-5.7-172.332.1-37.7000114.1F145 R147 F196 D200 F201 F203F145-P198 HydrophobicContact CB-CB 3.95Å; F145-P198 HydrophobicContact CB-CG 4.5Å; F145-P198 VanDerWaalsContact O-CB 3.23Å; F145-P198 WeakPolarHBondContact O-CB 3.19Å; F145-P198 VanDerWaalsContact O-CG 3.29Å; F145-P198 WeakPolarHBondContact O-CG 3.18Å; R147-P198 WeakPolarHBondContact O-CD 3.38Å; R147-P198 WeakPolarHBondContact O-CG 3.32Å; F196-P198 HydrophobicContact CD1-CB 4.45Å; F196-P198 HydrophobicContact CE1-CB 3.73Å; F196-P198 HydrophobicContact CZ-CB 4.19Å; P198-D200 PolarHBondContact O-N 3.18Å; P198-F201 WeakPolarHBondContact O-CB 3.44Å; P198-F201 PolarHBondContact O-N 2.97Å; P198-F203 HydrophobicContact CB-CE2 4.37Å; P198-F203 HydrophobicContact CB-CZ 4.25Å
199N87.1Confident87.8Confident103 Ų10370.1 Ų70.155%0.55136%0.356SS*.THydrogen-bonded Turntrans-55.4127.4-179.4-61.4-13.1000109.5H174 H197 F201H174-N199 PolarHBondContact CE1-O 3.49Å; H174-N199 VanDerWaalsContact CE1-O 3.24Å; H174-N199 PolarHBondContact ND1-O 3.38Å; H197-N199 PolarHBondContact O-N 2.95Å; N199-F201 PolarHBondContact O-N 3.45Å
200D83.1Confident87.6Confident164 Ų16472.3 Ų72.388%0.87736%0.359SS*.THydrogen-bonded Turntrans57.712.1-179.1-50.7-44.1000115.4P198 D202P198-D200 PolarHBondContact O-N 3.18Å; D200-D202 PolarHBondContact O-N 2.88Å
201F84.8Confident87.6Confident18 Ų1870.8 Ų70.88%0.07935%0.349CS..  trans-78.7114.5178.3-169.5-97.5000110.5H174 F196 P198 N199 F203 N207 E209 F246H174-F201 HydrophobicContact CB-CD2 4.3Å; H174-F201 AromaticContact CD2-CD2 3.73Å; H174-F201 AromaticContact CG-CD2 3.76Å; H174-F201 AromaticContact ND1-CD2 3.97Å; H174-F201 AromaticContact NE2-CD2 3.93Å; F196-F201 HydrophobicContact CE2-CB 4.34Å; F196-F201 HydrophobicContact CE2-CD1 4.17Å; F196-F201 AromaticContact CE2-CD2 3.69Å; F196-F201 HydrophobicContact CE2-CD2 3.69Å; F196-F201 HydrophobicContact CE2-CE1 4.34Å; F196-F201 AromaticContact CE2-CE2 3.91Å; F196-F201 HydrophobicContact CE2-CE2 3.91Å; F196-F201 AromaticContact CE2-CG 3.81Å; F196-F201 HydrophobicContact CE2-CG 3.81Å; F196-F201 HydrophobicContact CE2-CZ 4.21Å; F196-F201 HydrophobicContact CZ-CB 3.9Å; F196-F201 AromaticContact CZ-CD1 3.6Å; F196-F201 HydrophobicContact CZ-CD1 3.6Å; F196-F201 AromaticContact CZ-CD2 3.93Å; F196-F201 HydrophobicContact CZ-CD2 3.93Å; F196-F201 AromaticContact CZ-CE1 3.99Å; F196-F201 HydrophobicContact CZ-CE1 3.99Å; F196-F201 HydrophobicContact CZ-CE2 4.32Å; F196-F201 AromaticContact CZ-CG 3.53Å; F196-F201 HydrophobicContact CZ-CG 3.53Å; F196-F201 HydrophobicContact CZ-CZ 4.33Å; P198-F201 WeakPolarHBondContact O-CB 3.44Å; P198-F201 PolarHBondContact O-N 2.97Å; N199-F201 PolarHBondContact O-N 3.45Å; F201-F203 HydrophobicContact CB-CE2 4.37Å; F201-F203 AromaticContact CD1-CD1 3.74Å; F201-F203 HydrophobicContact CD1-CD1 3.74Å; F201-F203 AromaticContact CD1-CD2 3.99Å; F201-F203 HydrophobicContact CD1-CD2 3.99Å; F201-F203 AromaticContact CD1-CE1 3.64Å; F201-F203 HydrophobicContact CD1-CE1 3.64Å; F201-F203 AromaticContact CD1-CE2 3.9Å; F201-F203 HydrophobicContact CD1-CE2 3.9Å; F201-F203 AromaticContact CD1-CG 3.92Å; F201-F203 HydrophobicContact CD1-CG 3.92Å; F201-F203 AromaticContact CD1-CZ 3.73Å; F201-F203 HydrophobicContact CD1-CZ 3.73Å; F201-F203 AromaticContact CE1-CD1 3.81Å; F201-F203 HydrophobicContact CE1-CD1 3.81Å; F201-F203 AromaticContact CE1-CE1 3.85Å; F201-F203 HydrophobicContact CE1-CE1 3.85Å; F201-F203 HydrophobicContact CE1-CG 4.32Å; F201-F203 HydrophobicContact CE1-CZ 4.39Å; F201-F203 WeakPolarHBondContact O-CD2 2.93Å; F201-F203 PolarHBondContact O-N 2.79Å; F201-N207 WeakPolarHBondContact CE1-ND2 3.48Å; F201-N207 HydrophobicContact CZ-CB 4Å; F201-N207 WeakPolarHBondContact CZ-ND2 3.45Å; F201-E209 HydrophobicContact CE2-CG 3.98Å; F201-E209 HydrophobicContact CZ-CG 3.78Å; F201-F246 AromaticContact CE1-CE2 3.97Å; F201-F246 HydrophobicContact CE1-CE2 3.97Å; F201-F246 HydrophobicContact CE1-CZ 4.05Å; F201-F246 AromaticContact CZ-CE2 3.87Å; F201-F246 HydrophobicContact CZ-CE2 3.87Å; F201-F246 AromaticContact CZ-CZ 3.86Å; F201-F246 HydrophobicContact CZ-CZ 3.86Å
202D83Confident87.5Confident83 Ų8366.5 Ų66.544%0.44433%0.33SS..  trans-76.693.7177.1178.413.3000111.3D200 T204 A205 N207D200-D202 PolarHBondContact O-N 2.88Å; D202-T204 PolarHBondContact O-N 3.47Å; D202-T204 WeakPolarHBondContact OD1-CA 3.35Å; D202-T204 VanDerWaalsContact OD1-CB 3.29Å; D202-T204 WeakPolarHBondContact OD1-CB 3.3Å; D202-T204 PolarHBondContact OD1-N 3.07Å; D202-T204 PolarHBondContact OD1-OG1 3.4Å; D202-T204 PolarHBondContact OD2-OG1 3.2Å; D202-A205 HydrophobicContact CB-CB 4.45Å; D202-A205 PolarHBondContact O-N 2.89Å; D202-A205 PolarHBondContact OD1-N 2.83Å; D202-A205 WeakPolarHBondContact OD2-CB 3.33Å; D202-A205 PolarHBondContact OD2-N 2.71Å; D202-N207 PolarHBondContact O-ND2 3.15Å
203F82.6Confident87.3Confident90 Ų9066.6 Ų66.640%0.39533%0.331SS..THydrogen-bonded Turntrans-65.5-11.7174.6-68.4-82.9000114.6F145 F196 P198 F201 F246F145-F203 HydrophobicContact CB-CE1 4.42Å; F145-F203 HydrophobicContact CB-CE2 3.98Å; F145-F203 HydrophobicContact CB-CZ 3.55Å; F145-F203 HydrophobicContact CD1-CE1 4.5Å; F145-F203 HydrophobicContact CD1-CZ 4.23Å; F145-F203 AromaticContact CD2-CE1 3.95Å; F145-F203 HydrophobicContact CD2-CE1 3.95Å; F145-F203 AromaticContact CD2-CZ 3.9Å; F145-F203 HydrophobicContact CD2-CZ 3.9Å; F145-F203 HydrophobicContact CE2-CE1 4.38Å; F145-F203 HydrophobicContact CG-CE1 4.03Å; F145-F203 HydrophobicContact CG-CE2 4.45Å; F145-F203 AromaticContact CG-CZ 3.62Å; F145-F203 HydrophobicContact CG-CZ 3.62Å; F196-F203 HydrophobicContact CE1-CE1 4.16Å; F196-F203 AromaticContact CE1-CZ 3.75Å; F196-F203 HydrophobicContact CE1-CZ 3.75Å; F196-F203 HydrophobicContact CZ-CE1 4.19Å; F196-F203 AromaticContact CZ-CZ 3.88Å; F196-F203 HydrophobicContact CZ-CZ 3.88Å; P198-F203 HydrophobicContact CB-CE2 4.37Å; P198-F203 HydrophobicContact CB-CZ 4.25Å; F201-F203 HydrophobicContact CB-CE2 4.37Å; F201-F203 AromaticContact CD1-CD1 3.74Å; F201-F203 HydrophobicContact CD1-CD1 3.74Å; F201-F203 AromaticContact CD1-CD2 3.99Å; F201-F203 HydrophobicContact CD1-CD2 3.99Å; F201-F203 AromaticContact CD1-CE1 3.64Å; F201-F203 HydrophobicContact CD1-CE1 3.64Å; F201-F203 AromaticContact CD1-CE2 3.9Å; F201-F203 HydrophobicContact CD1-CE2 3.9Å; F201-F203 AromaticContact CD1-CG 3.92Å; F201-F203 HydrophobicContact CD1-CG 3.92Å; F201-F203 AromaticContact CD1-CZ 3.73Å; F201-F203 HydrophobicContact CD1-CZ 3.73Å; F201-F203 AromaticContact CE1-CD1 3.81Å; F201-F203 HydrophobicContact CE1-CD1 3.81Å; F201-F203 AromaticContact CE1-CE1 3.85Å; F201-F203 HydrophobicContact CE1-CE1 3.85Å; F201-F203 HydrophobicContact CE1-CG 4.32Å; F201-F203 HydrophobicContact CE1-CZ 4.39Å; F201-F203 WeakPolarHBondContact O-CD2 2.93Å; F201-F203 PolarHBondContact O-N 2.79Å; F203-F246 HydrophobicContact CE1-CB 4.26Å; F203-F246 HydrophobicContact CE1-CD1 4.15Å; F203-F246 HydrophobicContact CE1-CG 4.07Å
204T74.1Confident87.1Confident129 Ų12966.3 Ų66.379%0.79132%0.324SS*.THydrogen-bonded Turntrans-85.2-25.7-178.775.90000112.3D202D202-T204 PolarHBondContact O-N 3.47Å; D202-T204 WeakPolarHBondContact OD1-CA 3.35Å; D202-T204 VanDerWaalsContact OD1-CB 3.29Å; D202-T204 WeakPolarHBondContact OD1-CB 3.3Å; D202-T204 PolarHBondContact OD1-N 3.07Å; D202-T204 PolarHBondContact OD1-OG1 3.4Å; D202-T204 PolarHBondContact OD2-OG1 3.2Å
205A73.3Confident86.8Confident38 Ų3866.8 Ų66.831%0.31433%0.327SS..SBendtrans-64.1145.1169.900000110.4D202 N207D202-A205 HydrophobicContact CB-CB 4.45Å; D202-A205 PolarHBondContact O-N 2.89Å; D202-A205 PolarHBondContact OD1-N 2.83Å; D202-A205 WeakPolarHBondContact OD2-CB 3.33Å; D202-A205 PolarHBondContact OD2-N 2.71Å; A205-N207 WeakPolarHBondContact CB-OD1 3.18Å; A205-N207 PolarHBondContact O-N 2.87Å; A205-N207 PolarHBondContact O-OD1 2.85Å
206K64.9Low86.5Confident179 Ų17965.6 Ų65.678%0.77832%0.32SS*.  trans-69.473173.9-76.9-177.6179.5171.30109.5R208K206-R208 PolarHBondContact O-N 3.41Å
207N68.3Low86Confident62 Ų6268.4 Ų68.433%0.33234%0.337SS..  trans-72.5127.1-174.9-61.3-24.2000109.5F201 D202 A205 E209F201-N207 WeakPolarHBondContact CE1-ND2 3.48Å; F201-N207 HydrophobicContact CZ-CB 4Å; F201-N207 WeakPolarHBondContact CZ-ND2 3.45Å; D202-N207 PolarHBondContact O-ND2 3.15Å; A205-N207 WeakPolarHBondContact CB-OD1 3.18Å; A205-N207 PolarHBondContact O-N 2.87Å; A205-N207 PolarHBondContact O-OD1 2.85Å; N207-E209 HydrophobicContact CB-CG 4.21Å
208R85.1Confident85.3Confident204 Ų20465.8 Ų65.877%0.7733%0.326SS*.  trans-110.144.9177-67.2-177.1175.4-176.70.8109.1K206 R210K206-R208 PolarHBondContact O-N 3.41Å; R208-R210 WeakPolarHBondContact O-CG 3.29Å
209E92.8Very high84.4Confident20 Ų2068.8 Ų68.89%0.09335%0.347CS..  trans-59.2136.9-178-63.8-44.5123.800111.5S170 S171 F175 F201 N207 C244 F246S170-E209 VanDerWaalsContact OG-CA 3.32Å; S170-E209 WeakPolarHBondContact OG-CA 3.37Å; S170-E209 PolarHBondContact OG-OE2 2.88Å; S171-E209 WeakPolarHBondContact CB-OE2 3.36Å; S171-E209 PolarHBondContact N-OE2 2.86Å; S171-E209 PolarHBondContact OG-OE1 2.84Å; S171-E209 PolarHBondContact OG-OE2 2.83Å; F175-E209 HydrophobicContact CE2-CB 4.1Å; F175-E209 HydrophobicContact CE2-CG 3.95Å; F175-E209 HydrophobicContact CZ-CB 4.03Å; F175-E209 HydrophobicContact CZ-CG 4.15Å; F201-E209 HydrophobicContact CE2-CG 3.98Å; F201-E209 HydrophobicContact CZ-CG 3.78Å; N207-E209 HydrophobicContact CB-CG 4.21Å; E209-C244 HydrophobicContact CB-CB 3.77Å; E209-C244 PolarHBondContact O-N 2.65Å; E209-F246 HydrophobicContact CB-CE2 4.43Å; E209-F246 HydrophobicContact CG-CE2 4.3Å; E209-F246 HydrophobicContact CG-CZ 4.38Å
210R94.9Very high83.3Confident123 Ų12373 Ų7346%0.46436%0.363SS..EExtended strand (participates in β ladder)trans-141.4150.2-177.9-67.8175.8-174.4-130.1-1.5111.2A169 S170 R208 L242A169-R210 WeakPolarHBondContact CA-O 3.47Å; S170-R210 PolarHBondContact N-O 3.01Å; S170-R210 PolarHBondContact OG-N 2.68Å; S170-R210 PolarHBondContact OG-O 2.92Å; R208-R210 WeakPolarHBondContact O-CG 3.29Å; R210-L242 CarbonylContact C-O 3.58Å; R210-L242 WeakPolarHBondContact CA-O 3.47Å; R210-L242 WeakPolarHBondContact CB-O 3.5Å
211M95.9Very high82.3Confident2 Ų269.2 Ų69.21%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-99.7134.1160.2-51.9-60.9-68.500108.8L139 I167 S168 A169 F175 A177 V194 Y241 L242L139-M211 HydrophobicContact CD2-CG 3.75Å; I167-M211 HydrophobicContact CD1-CB 4.26Å; I167-M211 HydrophobicContact CD1-CE 3.64Å; I167-M211 HydrophobicContact CG1-CB 4.35Å; I167-M211 HydrophobicContact CG1-CE 3.61Å; S168-M211 CarbonylContact O-C 3.59Å; S168-M211 VanDerWaalsContact O-CA 3.31Å; S168-M211 WeakPolarHBondContact O-CA 3.34Å; A169-M211 HydrophobicContact CB-CE 4.06Å; A169-M211 HydrophobicContact CB-SD 3.66Å; F175-M211 HydrophobicContact CD1-SD 4.34Å; F175-M211 HydrophobicContact CG-SD 4.48Å; A177-M211 HydrophobicContact CB-CE 4.46Å; V194-M211 HydrophobicContact CG1-CE 3.64Å; V194-M211 HydrophobicContact CG1-SD 3.94Å; V194-M211 HydrophobicContact CG2-CE 4.17Å; M211-Y241 CarbonylContact O-C 3.49Å; M211-Y241 WeakPolarHBondContact O-CA 3.09Å; M211-L242 HydrophobicContact CB-CB 4.19Å; M211-L242 PolarHBondContact N-O 2.82Å; M211-L242 PolarHBondContact O-N 2.92Å
212L95.3Very high81.3Confident35 Ų3569.7 Ų69.718%0.18337%0.37CS..EExtended strand (participates in β ladder)trans-103.6121.2168.1168.362000108.2I167 S168 Q214 D239 Y240 Y241I167-L212 CarbonylContact C-O 3.59Å; I167-L212 WeakPolarHBondContact CA-O 3.37Å; S168-L212 PolarHBondContact N-O 2.89Å; S168-L212 PolarHBondContact O-N 2.89Å; S168-L212 PolarHBondContact OG-O 2.93Å; L212-Q214 HydrophobicContact CD1-CG 4.07Å; L212-Q214 HydrophobicContact CD2-CG 4.01Å; L212-Q214 HydrophobicContact CG-CG 3.82Å; L212-D239 HydrophobicContact CD1-CB 3.84Å; L212-Y240 CarbonylContact C-O 3.5Å; L212-Y240 WeakPolarHBondContact CA-O 3.31Å; L212-Y241 HydrophobicContact CB-CD1 4.41Å; L212-Y241 HydrophobicContact CB-CE1 4.29Å; L212-Y241 HydrophobicContact CD1-CD1 4.22Å; L212-Y241 HydrophobicContact CD1-CE1 3.83Å; L212-Y241 HydrophobicContact CD1-CE2 4.14Å; L212-Y241 HydrophobicContact CG-CE1 4.46Å
213I94.9Very high80.7Confident2 Ų269 Ų691%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-105.8119.4170.9-60.8153.1000106.8L131 V133 V153 L155 K166 I167 Y240 L242L131-I213 HydrophobicContact CD2-CG2 4.47Å; V133-I213 HydrophobicContact CG1-CD1 3.52Å; V133-I213 HydrophobicContact CG2-CD1 4.24Å; V153-I213 HydrophobicContact CG1-CD1 4.05Å; L155-I213 HydrophobicContact CD1-CG2 4.23Å; L155-I213 HydrophobicContact CD2-CD1 4.08Å; L155-I213 HydrophobicContact CD2-CG2 4.25Å; K166-I213 CarbonylContact O-C 3.54Å; K166-I213 WeakPolarHBondContact O-CA 3.32Å; I167-I213 HydrophobicContact CB-CG1 4.26Å; I167-I213 HydrophobicContact CD1-CG1 3.98Å; I167-I213 HydrophobicContact CG1-CG1 3.97Å; I213-Y240 HydrophobicContact CD1-CD1 4.47Å; I213-Y240 PolarHBondContact N-O 2.64Å; I213-Y240 PolarHBondContact O-N 2.89Å; I213-L242 HydrophobicContact CD1-CD1 3.75Å; I213-L242 HydrophobicContact CD1-CG 4.15Å
214Q93.1Very high79.8Confident44 Ų4465.7 Ų65.721%0.20635%0.354CS..EExtended strand (participates in β ladder)trans-104.5134.5174.2-54.4-166.3-85.200108.2F165 K166 L212 F232 V237 T238 D239F165-Q214 CarbonylContact C-O 3.56Å; F165-Q214 VanDerWaalsContact CA-O 3.24Å; F165-Q214 WeakPolarHBondContact CA-O 3.37Å; K166-Q214 PolarHBondContact N-O 3.26Å; K166-Q214 PolarHBondContact O-N 2.99Å; L212-Q214 HydrophobicContact CD1-CG 4.07Å; L212-Q214 HydrophobicContact CD2-CG 4.01Å; L212-Q214 HydrophobicContact CG-CG 3.82Å; Q214-F232 HydrophobicContact CB-CD1 4.21Å; Q214-F232 HydrophobicContact CB-CE1 3.85Å; Q214-F232 WeakPolarHBondContact O-CE1 3.17Å; Q214-V237 HydrophobicContact CB-CG1 3.85Å; Q214-T238 CarbonylContact C-O 3.59Å; Q214-T238 WeakPolarHBondContact CA-O 3.3Å; Q214-D239 WeakPolarHBondContact CG-OD1 3.46Å; Q214-D239 PolarHBondContact NE2-OD1 2.88Å
215S91.8Very high79.5Confident11 Ų1167.1 Ų67.18%0.07735%0.35CS..EExtended strand (participates in β ladder)trans-128.3143175.962.90000111.9C164 V237 T238C164-S215 CarbonylContact O-C 3.58Å; C164-S215 VanDerWaalsContact O-CA 3.22Å; C164-S215 WeakPolarHBondContact O-CA 3.42Å; S215-V237 WeakPolarHBondContact O-CA 3.3Å; S215-T238 PolarHBondContact N-O 3.18Å; S215-T238 PolarHBondContact O-N 3.37Å
216A89.7Confident79.1Confident2 Ų273.8 Ų73.82%0.01737%0.371CS..EExtended strand (participates in β ladder)trans-137.1131.9173.600000109.4C164 F232 V237C164-A216 PolarHBondContact N-O 2.98Å; C164-A216 PolarHBondContact O-N 2.8Å; A216-F232 HydrophobicContact CB-CD1 4.33Å; A216-F232 HydrophobicContact CB-CE1 4.24Å; A216-V237 HydrophobicContact CB-CG2 4.46Å
217V86.7Confident79.2Confident58 Ų5868.8 Ų68.835%0.35235%0.353SS..EExtended strand (participates in β ladder)trans-74129.6174.8-171.10000108.5Q161 V163 S219Q161-V217 HydrophobicContact CB-CG1 3.52Å; Q161-V217 HydrophobicContact CG-CG1 4.33Å; V163-V217 HydrophobicContact CG2-CG2 4.34Å; V217-S219 PolarHBondContact O-N 2.78Å
218A79.9Confident79.2Confident4 Ų467.7 Ų67.73%0.03335%0.346CS..PPolyproline II helixtrans-70.4129.8178.700000110.1P162 P224 L231P162-A218 HydrophobicContact CB-CB 4.19Å; P162-A218 WeakPolarHBondContact O-CB 2.98Å; P162-A218 PolarHBondContact O-N 3.44Å; A218-P224 HydrophobicContact CB-CB 3.95Å; A218-L231 HydrophobicContact CB-CD1 4.36Å
219S70.7Confident78.3Confident73 Ų7362.6 Ų62.651%0.5134%0.338SS..PPolyproline II helixtrans-65.8146.817452.70000111.3V217 G221 A222V217-S219 PolarHBondContact O-N 2.78Å; S219-G221 PolarHBondContact O-N 2.91Å; S219-G221 VanDerWaalsContact O-N 3.12Å; S219-A222 PolarHBondContact O-N 3Å
220E63.6Low76.9Confident192 Ų19262.7 Ų62.790%0.89734%0.342SS*.THydrogen-bonded Turntrans-54.9116.4177.6-155171.8-167.800110.5
221G62.5Low75.5Confident85 Ų8557.6 Ų57.688%0.87632%0.324SS*.THydrogen-bonded Turntrans97.9-9.7-179.600000116.8S219S219-G221 PolarHBondContact O-N 2.91Å; S219-G221 VanDerWaalsContact O-N 3.12Å
222A64.4Low74.5Confident27 Ų2759.3 Ų59.322%0.22333%0.331CS..  trans-75.4140170.100000110.3S219 P224S219-A222 PolarHBondContact O-N 3Å; A222-P224 WeakPolarHBondContact O-CD 3.13Å
223D70.1Confident73.3Confident70 Ų7065.7 Ų65.737%0.37436%0.357SS..  trans-82.6100.1166.9-179.7-6.6000107.6K225 K226 D227D223-K225 PolarHBondContact O-N 3.38Å; D223-K225 WeakPolarHBondContact OD1-CB 3.29Å; D223-K225 PolarHBondContact OD1-N 3.39Å; D223-K225 VanDerWaalsContact OD1-N 3.1Å; D223-K226 HydrophobicContact CB-CB 4.23Å; D223-K226 HydrophobicContact CB-CD 4.31Å; D223-K226 HydrophobicContact CB-CG 4.39Å; D223-K226 PolarHBondContact O-N 2.65Å; D223-K226 VanDerWaalsContact OD2-CD 3.25Å; D223-K226 WeakPolarHBondContact OD2-CD 3.38Å; D223-K226 VanDerWaalsContact OD2-CE 3.28Å; D223-K226 WeakPolarHBondContact OD2-CE 3.35Å; D223-K226 WeakPolarHBondContact OD2-CG 3.5Å; D223-K226 IonicContact OD2-NZ 3.95Å; D223-D227 PolarHBondContact O-N 3.39Å; D223-D227 VanDerWaalsContact O-N 3.09Å
224P63.9Low71.9Confident20 Ų2073.7 Ų73.713%0.1340%0.395CS..THydrogen-bonded Turntrans-62.9-19.9-172.529.6-37.6000111.6P162 V183 A218 A222 Q228 L231P162-P224 HydrophobicContact CB-CG 4.2Å; V183-P224 HydrophobicContact CB-CB 4.36Å; V183-P224 HydrophobicContact CG1-CB 3.65Å; V183-P224 HydrophobicContact CG1-CG 3.66Å; V183-P224 HydrophobicContact CG2-CB 3.77Å; V183-P224 HydrophobicContact CG2-CG 4.29Å; V183-P224 WeakPolarHBondContact CG2-O 3.44Å; A218-P224 HydrophobicContact CB-CB 3.95Å; A222-P224 WeakPolarHBondContact O-CD 3.13Å; P224-Q228 WeakPolarHBondContact O-CG 3.43Å; P224-L231 HydrophobicContact CB-CD1 4.4Å
225K68.3Low70.7Confident159 Ų15973.2 Ų73.269%0.69140%0.402SS*.THydrogen-bonded Turntrans-75.1-33.7176.5-66.7-177.3177.4178.70112.2V183 D223 Q228V183-K225 HydrophobicContact CG2-CG 4.34Å; D223-K225 PolarHBondContact O-N 3.38Å; D223-K225 WeakPolarHBondContact OD1-CB 3.29Å; D223-K225 PolarHBondContact OD1-N 3.39Å; D223-K225 VanDerWaalsContact OD1-N 3.1Å; K225-Q228 PolarHBondContact O-NE2 3.25Å
226K64.2Low70Confident178 Ų17880.8 Ų80.877%0.77443%0.433SS*.THydrogen-bonded Turntrans-85.1-31.3-179.6-71.5179.8-173.6171.40112.7D223D223-K226 HydrophobicContact CB-CB 4.23Å; D223-K226 HydrophobicContact CB-CD 4.31Å; D223-K226 HydrophobicContact CB-CG 4.39Å; D223-K226 PolarHBondContact O-N 2.65Å; D223-K226 VanDerWaalsContact OD2-CD 3.25Å; D223-K226 WeakPolarHBondContact OD2-CD 3.38Å; D223-K226 VanDerWaalsContact OD2-CE 3.28Å; D223-K226 WeakPolarHBondContact OD2-CE 3.35Å; D223-K226 WeakPolarHBondContact OD2-CG 3.5Å; D223-K226 IonicContact OD2-NZ 3.95Å
227D66.6Low69.8Low73 Ų7382.8 Ų82.839%0.3945%0.445SS..  trans-111.920.4-166-149.116.7000115.3D223 T229 A230 L231D223-D227 PolarHBondContact O-N 3.39Å; D223-D227 VanDerWaalsContact O-N 3.09Å; D227-T229 PolarHBondContact O-N 3.06Å; D227-T229 VanDerWaalsContact O-N 3.07Å; D227-A230 PolarHBondContact O-N 3.45Å; D227-A230 WeakPolarHBondContact OD1-CB 3.29Å; D227-L231 WeakPolarHBondContact O-CG 3.29Å; D227-L231 PolarHBondContact O-N 3.41Å
228Q68.1Low69.9Low39 Ų3981.2 Ų81.218%0.18244%0.436CS..Hα-helixtrans-50.6-40.2-177.8-60176.751.900112I181 V183 P224 K225 F232I181-Q228 HydrophobicContact CD1-CB 3.91Å; I181-Q228 VanDerWaalsContact CD1-OE1 3.3Å; V183-Q228 HydrophobicContact CG2-CG 4.4Å; P224-Q228 WeakPolarHBondContact O-CG 3.43Å; K225-Q228 PolarHBondContact O-NE2 3.25Å; Q228-F232 WeakPolarHBondContact O-CD2 3.47Å; Q228-F232 PolarHBondContact O-N 2.98Å
229T66.8Low70.4Confident98 Ų9884.6 Ų84.660%0.60145%0.453SS*.Hα-helixtrans-72.2-34.6-177.7-55.40000112.9D227 K233D227-T229 PolarHBondContact O-N 3.06Å; D227-T229 VanDerWaalsContact O-N 3.07Å; T229-K233 WeakPolarHBondContact O-CG 3.33Å
230A63.9Low71.3Confident22 Ų2283.3 Ų83.318%0.18244%0.438CS..Hα-helixtrans-77-37.1177.500000111.3D227 F232 K233 E234D227-A230 PolarHBondContact O-N 3.45Å; D227-A230 WeakPolarHBondContact OD1-CB 3.29Å; A230-F232 VanDerWaalsContact C-N 3.26Å; A230-F232 PolarHBondContact O-N 2.92Å; A230-K233 WeakPolarHBondContact O-CA 3.44Å; A230-K233 PolarHBondContact O-N 2.76Å; A230-E234 PolarHBondContact O-N 2.77Å
231L65.3Low72.6Confident15 Ų1579.8 Ų79.88%0.07942%0.417CS..Hα-helixtrans-56.8-38.7177.5-72.7170.5000112.5C164 A218 P224 D227 K233 G235C164-L231 HydrophobicContact CB-CD1 4.48Å; C164-L231 WeakPolarHBondContact SG-CD1 3.45Å; A218-L231 HydrophobicContact CB-CD1 4.36Å; P224-L231 HydrophobicContact CB-CD1 4.4Å; D227-L231 WeakPolarHBondContact O-CG 3.29Å; D227-L231 PolarHBondContact O-N 3.41Å; L231-K233 VanDerWaalsContact C-N 3.31Å; L231-K233 PolarHBondContact O-N 2.82Å; L231-G235 WeakPolarHBondContact O-CA 3.37Å; L231-G235 PolarHBondContact O-N 2.64Å
232F75Confident74.1Confident38 Ų3875.7 Ų75.717%0.16738%0.375CS..Hα-helixtrans-75.8-13175.1-72.7-63.7000114.9C164 K166 I181 Q214 A216 Q228 A230 V237C164-F232 HydrophobicContact CB-CE2 4.28Å; C164-F232 HydrophobicContact CB-CZ 4.12Å; K166-F232 HydrophobicContact CB-CE1 4.31Å; K166-F232 HydrophobicContact CB-CE2 3.85Å; K166-F232 HydrophobicContact CB-CZ 3.73Å; I181-F232 HydrophobicContact CD1-CE2 4.33Å; I181-F232 HydrophobicContact CG1-CE2 4.44Å; Q214-F232 HydrophobicContact CB-CD1 4.21Å; Q214-F232 HydrophobicContact CB-CE1 3.85Å; Q214-F232 WeakPolarHBondContact O-CE1 3.17Å; A216-F232 HydrophobicContact CB-CD1 4.33Å; A216-F232 HydrophobicContact CB-CE1 4.24Å; Q228-F232 WeakPolarHBondContact O-CD2 3.47Å; Q228-F232 PolarHBondContact O-N 2.98Å; A230-F232 VanDerWaalsContact C-N 3.26Å; A230-F232 PolarHBondContact O-N 2.92Å; F232-V237 HydrophobicContact CD1-CG1 4.11Å; F232-V237 HydrophobicContact CD1-CG2 4.05Å
233K69.9Low75.5Confident169 Ų16979.7 Ų79.774%0.73539%0.388SS*.Hα-helixtrans-95.4-34.5177.8-72.3179.8179.4-177.80112.6T229 A230 L231T229-K233 WeakPolarHBondContact O-CG 3.33Å; A230-K233 WeakPolarHBondContact O-CA 3.44Å; A230-K233 PolarHBondContact O-N 2.76Å; L231-K233 VanDerWaalsContact C-N 3.31Å; L231-K233 PolarHBondContact O-N 2.82Å
234E66.4Low76.6Confident170 Ų17076.7 Ų76.779%0.79437%0.372SS*.Hα-helixtrans-111.9-24.1-169.4-61.8-177.1-17900113.1A230A230-E234 PolarHBondContact O-N 2.77Å
235G66.6Low78Confident35 Ų3577.2 Ų77.236%0.36138%0.375SS..SBendtrans-79.8163.1-179.400000113.7L231 V237L231-G235 WeakPolarHBondContact O-CA 3.37Å; L231-G235 PolarHBondContact O-N 2.64Å; G235-V237 PolarHBondContact O-N 3.48Å
236K77.5Confident79.1Confident169 Ų16972.1 Ų72.174%0.73535%0.353SS*.  trans-69.199.2164.1-174.4-178.7-179.9-175.10108.1
237V86.4Confident80.2Confident44 Ų4468.6 Ų68.627%0.26734%0.338SS..  trans-84.8134.3177.4-1770000109.7Q214 S215 A216 F232 G235Q214-V237 HydrophobicContact CB-CG1 3.85Å; S215-V237 WeakPolarHBondContact O-CA 3.3Å; A216-V237 HydrophobicContact CB-CG2 4.46Å; F232-V237 HydrophobicContact CD1-CG1 4.11Å; F232-V237 HydrophobicContact CD1-CG2 4.05Å; G235-V237 PolarHBondContact O-N 3.48Å
238T88.1Confident80.8Confident25 Ų2568.7 Ų68.715%0.15334%0.338CS..EExtended strand (participates in β ladder)trans-103.3131.7170.5-53.90000109.4E130 Q214 S215E130-T238 HydrophobicContact CG-CG2 4.18Å; E130-T238 VanDerWaalsContact OE1-CG2 3.25Å; E130-T238 WeakPolarHBondContact OE1-CG2 3.14Å; Q214-T238 CarbonylContact C-O 3.59Å; Q214-T238 WeakPolarHBondContact CA-O 3.3Å; S215-T238 PolarHBondContact N-O 3.18Å; S215-T238 PolarHBondContact O-N 3.37Å
239D89.6Confident80.7Confident75 Ų7568.8 Ų68.840%0.40134%0.341SS..EExtended strand (participates in β ladder)trans-105.2128.2179.6-76.3-8.6000110.8L212 Q214 Y241L212-D239 HydrophobicContact CD1-CB 3.84Å; Q214-D239 WeakPolarHBondContact CG-OD1 3.46Å; Q214-D239 PolarHBondContact NE2-OD1 2.88Å; D239-Y241 HydrophobicContact CB-CE2 4.05Å
240Y90.2Very high80Confident46 Ų4665.4 Ų65.418%0.1833%0.326CS..EExtended strand (participates in β ladder)trans-124.1133.8177-163.2-82.4000111.2V133 C136 L212 I213 L242V133-Y240 HydrophobicContact CB-CD1 4.02Å; V133-Y240 HydrophobicContact CB-CE1 3.73Å; V133-Y240 HydrophobicContact CB-CE2 4.4Å; V133-Y240 HydrophobicContact CB-CG 4.47Å; V133-Y240 HydrophobicContact CG1-CD1 4Å; V133-Y240 HydrophobicContact CG1-CE1 3.8Å; V133-Y240 HydrophobicContact CG2-CD1 3.88Å; V133-Y240 HydrophobicContact CG2-CD2 4.15Å; V133-Y240 HydrophobicContact CG2-CE1 4.08Å; V133-Y240 HydrophobicContact CG2-CE2 4.31Å; V133-Y240 HydrophobicContact CG2-CG 3.9Å; C136-Y240 VanDerWaalsContact C-OH 3.26Å; C136-Y240 WeakPolarHBondContact CA-OH 3.41Å; C136-Y240 VanDerWaalsContact CB-OH 3.29Å; C136-Y240 WeakPolarHBondContact CB-OH 3.35Å; C136-Y240 WeakPolarHBondContact O-CE1 3.21Å; C136-Y240 PolarHBondContact O-OH 2.9Å; L212-Y240 CarbonylContact C-O 3.5Å; L212-Y240 WeakPolarHBondContact CA-O 3.31Å; I213-Y240 HydrophobicContact CD1-CD1 4.47Å; I213-Y240 PolarHBondContact N-O 2.64Å; I213-Y240 PolarHBondContact O-N 2.89Å; Y240-L242 HydrophobicContact CD1-CD2 4.23Å; Y240-L242 HydrophobicContact CD1-CG 4.4Å; Y240-L242 HydrophobicContact CE1-CD2 3.68Å; Y240-L242 HydrophobicContact CE1-CG 4.33Å
241Y91.4Very high79.5Confident118 Ų11869.2 Ų69.246%0.46334%0.342SS..EExtended strand (participates in β ladder)trans-116122-175.2-64.9-92.3000111.9M211 L212 D239M211-Y241 CarbonylContact O-C 3.49Å; M211-Y241 WeakPolarHBondContact O-CA 3.09Å; L212-Y241 HydrophobicContact CB-CD1 4.41Å; L212-Y241 HydrophobicContact CB-CE1 4.29Å; L212-Y241 HydrophobicContact CD1-CD1 4.22Å; L212-Y241 HydrophobicContact CD1-CE1 3.83Å; L212-Y241 HydrophobicContact CD1-CE2 4.14Å; L212-Y241 HydrophobicContact CG-CE1 4.46Å; D239-Y241 HydrophobicContact CB-CE2 4.05Å
242L93.2Very high78.9Confident0 Ų075.5 Ų75.50%037%0.371CS..EExtended strand (participates in β ladder)trans-98.8136.3166.5-60.4175.1000110.1V133 P135 R137 L139 V153 R210 M211 I213 Y240V133-L242 HydrophobicContact CG1-CD1 4.08Å; V133-L242 HydrophobicContact CG1-CD2 4.14Å; V133-L242 HydrophobicContact CG1-CG 4.37Å; P135-L242 WeakPolarHBondContact O-CD2 3.33Å; R137-L242 CarbonylContact O-C 3.58Å; R137-L242 WeakPolarHBondContact O-CA 3.45Å; L139-L242 HydrophobicContact CB-CB 4.3Å; L139-L242 HydrophobicContact CB-CD1 4.48Å; V153-L242 HydrophobicContact CG1-CD1 3.99Å; V153-L242 HydrophobicContact CG2-CD1 3.64Å; R210-L242 CarbonylContact C-O 3.58Å; R210-L242 WeakPolarHBondContact CA-O 3.47Å; R210-L242 WeakPolarHBondContact CB-O 3.5Å; M211-L242 HydrophobicContact CB-CB 4.19Å; M211-L242 PolarHBondContact N-O 2.82Å; M211-L242 PolarHBondContact O-N 2.92Å; I213-L242 HydrophobicContact CD1-CD1 3.75Å; I213-L242 HydrophobicContact CD1-CG 4.15Å; Y240-L242 HydrophobicContact CD1-CD2 4.23Å; Y240-L242 HydrophobicContact CD1-CG 4.4Å; Y240-L242 HydrophobicContact CE1-CD2 3.68Å; Y240-L242 HydrophobicContact CE1-CG 4.33Å
243K93.2Very high77.7Confident110 Ų11080.1 Ų80.148%0.47839%0.393SS..EExtended strand (participates in β ladder)trans-86125.2170.8-178.7-171.6173.4-165.60109.1R137 D138 L139 V245R137-K243 PolarHBondContact O-N 3.18Å; D138-K243 CarbonylContact C-O 3.53Å; D138-K243 WeakPolarHBondContact CA-O 3.44Å; L139-K243 PolarHBondContact N-O 2.79Å; K243-V245 HydrophobicContact CD-CG2 4.23Å; K243-V245 HydrophobicContact CG-CG2 4.3Å
244C94.2Very high76.8Confident8 Ų879.7 Ų79.75%0.05439%0.391CS..EExtended strand (participates in β ladder)trans-75132.3171.8-57.50000109.7L139 F141 F175 E209 F246L139-C244 WeakPolarHBondContact O-CA 3.25Å; F141-C244 HydrophobicContact CD2-CB 4.34Å; F141-C244 HydrophobicContact CE2-CB 3.97Å; F175-C244 HydrophobicContact CE1-CB 4.48Å; F175-C244 HydrophobicContact CZ-CB 4.21Å; E209-C244 HydrophobicContact CB-CB 3.77Å; E209-C244 PolarHBondContact O-N 2.65Å; C244-F246 HydrophobicContact CB-CE2 4.45Å; C244-F246 HydrophobicContact CB-CZ 4.38Å
245V92.3Very high76.3Confident31 Ų3175.5 Ų75.519%0.18837%0.373CS..EExtended strand (participates in β ladder)trans-127.7118.8179.9178.40000109.5D138 L139 V140 F141 K243 K247D138-V245 HydrophobicContact CB-CG2 3.85Å; L139-V245 PolarHBondContact O-N 2.85Å; V140-V245 CarbonylContact C-O 3.57Å; V140-V245 WeakPolarHBondContact CA-O 3.46Å; V140-V245 HydrophobicContact CG2-CB 4.34Å; F141-V245 PolarHBondContact N-O 2.8Å; K243-V245 HydrophobicContact CD-CG2 4.23Å; K243-V245 HydrophobicContact CG-CG2 4.3Å; V245-K247 HydrophobicContact CG1-CG 4.34Å
246F91.5Very high76Confident51 Ų5178.7 Ų78.722%0.22438%0.379CS..EExtended strand (participates in β ladder)trans-95.9119.2180-54.4-80.7000110.1F141 F145 F175 F196 F201 F203 E209 C244F141-F246 HydrophobicContact CB-CD1 3.93Å; F141-F246 HydrophobicContact CB-CE1 4.33Å; F141-F246 HydrophobicContact CD2-CD1 4.45Å; F141-F246 HydrophobicContact CD2-CE1 4.22Å; F141-F246 HydrophobicContact CG-CD1 4.43Å; F141-F246 HydrophobicContact CG-CE1 4.36Å; F141-F246 WeakPolarHBondContact O-CA 3.32Å; F145-F246 HydrophobicContact CE1-CB 4.24Å; F145-F246 HydrophobicContact CE1-CD1 4.03Å; F145-F246 HydrophobicContact CE2-CB 4.04Å; F145-F246 HydrophobicContact CZ-CB 3.64Å; F145-F246 HydrophobicContact CZ-CD1 4.29Å; F145-F246 HydrophobicContact CZ-CG 4.47Å; F175-F246 HydrophobicContact CE1-CZ 4.46Å; F175-F246 HydrophobicContact CZ-CE1 4.35Å; F175-F246 AromaticContact CZ-CZ 3.81Å; F175-F246 HydrophobicContact CZ-CZ 3.81Å; F196-F246 HydrophobicContact CD1-CD1 4.05Å; F196-F246 AromaticContact CD1-CE1 3.54Å; F196-F246 HydrophobicContact CD1-CE1 3.54Å; F196-F246 AromaticContact CD2-CE1 3.74Å; F196-F246 HydrophobicContact CD2-CE1 3.74Å; F196-F246 HydrophobicContact CD2-CZ 4.09Å; F196-F246 AromaticContact CE1-CD1 3.89Å; F196-F246 HydrophobicContact CE1-CD1 3.89Å; F196-F246 AromaticContact CE1-CE1 3.47Å; F196-F246 HydrophobicContact CE1-CE1 3.47Å; F196-F246 VanDerWaalsContact CE1-CE1 3.47Å; F196-F246 HydrophobicContact CE1-CZ 4.34Å; F196-F246 AromaticContact CE2-CE1 3.68Å; F196-F246 HydrophobicContact CE2-CE1 3.68Å; F196-F246 AromaticContact CE2-CZ 3.83Å; F196-F246 HydrophobicContact CE2-CZ 3.83Å; F196-F246 AromaticContact CG-CE1 3.66Å; F196-F246 HydrophobicContact CG-CE1 3.66Å; F196-F246 HydrophobicContact CG-CZ 4.45Å; F196-F246 HydrophobicContact CZ-CD1 4.27Å; F196-F246 AromaticContact CZ-CE1 3.55Å; F196-F246 HydrophobicContact CZ-CE1 3.55Å; F196-F246 AromaticContact CZ-CZ 3.96Å; F196-F246 HydrophobicContact CZ-CZ 3.96Å; F201-F246 AromaticContact CE1-CE2 3.97Å; F201-F246 HydrophobicContact CE1-CE2 3.97Å; F201-F246 HydrophobicContact CE1-CZ 4.05Å; F201-F246 AromaticContact CZ-CE2 3.87Å; F201-F246 HydrophobicContact CZ-CE2 3.87Å; F201-F246 AromaticContact CZ-CZ 3.86Å; F201-F246 HydrophobicContact CZ-CZ 3.86Å; F203-F246 HydrophobicContact CE1-CB 4.26Å; F203-F246 HydrophobicContact CE1-CD1 4.15Å; F203-F246 HydrophobicContact CE1-CG 4.07Å; E209-F246 HydrophobicContact CB-CE2 4.43Å; E209-F246 HydrophobicContact CG-CE2 4.3Å; E209-F246 HydrophobicContact CG-CZ 4.38Å; C244-F246 HydrophobicContact CB-CE2 4.45Å; C244-F246 HydrophobicContact CB-CZ 4.38Å
247K88.8Confident75.1Confident105 Ų10574 Ų7446%0.45736%0.364SS..EExtended strand (participates in β ladder)trans-115.8126174.8-65-174.8-173.4173.90110.3V140 F141 E142 G143 F145 V245 T249V140-K247 HydrophobicContact CG1-CB 4.44Å; V140-K247 HydrophobicContact CG1-CD 3.71Å; V140-K247 HydrophobicContact CG1-CG 3.94Å; F141-K247 PolarHBondContact O-N 3.11Å; E142-K247 CarbonylContact C-O 3.56Å; E142-K247 WeakPolarHBondContact CA-O 3.43Å; G143-K247 PolarHBondContact N-O 2.96Å; F145-K247 VanDerWaalsContact CZ-O 3.31Å; F145-K247 WeakPolarHBondContact CZ-O 3.39Å; V245-K247 HydrophobicContact CG1-CG 4.34Å; K247-T249 PolarHBondContact O-N 2.9Å
248N79.5Confident73.7Confident74 Ų7475 Ų7540%0.39637%0.373SS..  trans-94.893178.1-160.819.1000110.4F145 G250F145-N248 HydrophobicContact CE2-CB 4.03Å; N248-G250 VanDerWaalsContact C-N 3.28Å; N248-G250 PolarHBondContact O-N 2.76Å
249T64.5Low72.5Confident42 Ų4279.6 Ų79.626%0.25839%0.39SS..Hα-helixtrans-69.1-24.1-17846.90000113E142 G143 K247 I251 E252 E253E142-T249 HydrophobicContact CB-CG2 4.13Å; E142-T249 HydrophobicContact CG-CG2 4.33Å; G143-T249 PolarHBondContact O-OG1 2.8Å; G143-T249 VanDerWaalsContact O-OG1 3.05Å; K247-T249 PolarHBondContact O-N 2.9Å; T249-I251 VanDerWaalsContact C-N 3.27Å; T249-I251 PolarHBondContact O-N 3.2Å; T249-I251 VanDerWaalsContact O-N 3.16Å; T249-E252 PolarHBondContact O-N 2.76Å; T249-E253 PolarHBondContact O-N 2.91Å
250G53.4Low71.1Confident26 Ų2682 Ų8227%0.26840%0.399SS..Hα-helixtrans-68.1-15-174.300000116.3N248 K254N248-G250 VanDerWaalsContact C-N 3.28Å; N248-G250 PolarHBondContact O-N 2.76Å; G250-K254 WeakPolarHBondContact O-CG 3.21Å
251I52.2Low69.6Low103 Ų10385.5 Ų85.553%0.52842%0.417SS..Hα-helixtrans-88.3-40.4174.5-60.3176000110.3T249 I255T249-I251 VanDerWaalsContact C-N 3.27Å; T249-I251 PolarHBondContact O-N 3.2Å; T249-I251 VanDerWaalsContact O-N 3.16Å; I251-I255 HydrophobicContact CG2-CD1 3.79Å; I251-I255 WeakPolarHBondContact O-CD1 3.49Å; I251-I255 WeakPolarHBondContact O-CG1 3.16Å; I251-I255 PolarHBondContact O-N 2.89Å; I251-I255 VanDerWaalsContact O-N 3.11Å
252E52.7Low68.1Low146 Ų14685.8 Ų85.868%0.68243%0.425SS*.Hα-helixtrans-69.6-43.2-177.7-68.7-175.3167.100111.7T249 K254 I255 E256T249-E252 PolarHBondContact O-N 2.76Å; E252-K254 PolarHBondContact O-N 2.8Å; E252-I255 WeakPolarHBondContact O-CB 3.38Å; E252-I255 PolarHBondContact O-N 3.35Å; E252-I255 VanDerWaalsContact O-N 3.17Å; E252-E256 PolarHBondContact O-N 3.45Å
253E50.6Low66.5Low135 Ų13590.1 Ų90.163%0.63146%0.461SS*.Hα-helixtrans-64.8-40.3176.3-89.2-173.515400112.8T249 I255 E256 V257T249-E253 PolarHBondContact O-N 2.91Å; E253-I255 PolarHBondContact O-N 3.16Å; E253-E256 PolarHBondContact O-N 3.41Å; E253-V257 WeakPolarHBondContact O-CB 3.3Å; E253-V257 VanDerWaalsContact O-CG2 3.3Å; E253-V257 WeakPolarHBondContact O-CG2 3.43Å; E253-V257 PolarHBondContact O-N 2.77Å
254K50.5Low64.8Low161 Ų16189.3 Ų89.370%0.747%0.47SS*.Hα-helixtrans-62.2-35.7175-79.8-173.4178-174.50111.5G250 E252 C258G250-K254 WeakPolarHBondContact O-CG 3.21Å; E252-K254 PolarHBondContact O-N 2.8Å; K254-C258 VanDerWaalsContact O-CB 3.22Å; K254-C258 WeakPolarHBondContact O-CB 3.36Å; K254-C258 PolarHBondContact O-N 2.9Å
255I55.8Low63Low81 Ų8192.8 Ų92.842%0.41549%0.494SS..Hα-helixtrans-69.1-43.1174.9-69.1167.3000110.6I251 E252 E253 K259I251-I255 HydrophobicContact CG2-CD1 3.79Å; I251-I255 WeakPolarHBondContact O-CD1 3.49Å; I251-I255 WeakPolarHBondContact O-CG1 3.16Å; I251-I255 PolarHBondContact O-N 2.89Å; I251-I255 VanDerWaalsContact O-N 3.11Å; E252-I255 WeakPolarHBondContact O-CB 3.38Å; E252-I255 PolarHBondContact O-N 3.35Å; E252-I255 VanDerWaalsContact O-N 3.17Å; E253-I255 PolarHBondContact O-N 3.16Å; I255-K259 HydrophobicContact CG2-CD 4.18Å; I255-K259 WeakPolarHBondContact O-CB 3.42Å; I255-K259 WeakPolarHBondContact O-CG 3.17Å; I255-K259 PolarHBondContact O-N 3.28Å
256E60.1Low61.1Low102 Ų102100.2 Ų100.248%0.47752%0.524SS..Hα-helixtrans-67.6-44.2-179.6-148.874.7-169.700111.9E252 E253 K259 Q260E252-E256 PolarHBondContact O-N 3.45Å; E253-E256 PolarHBondContact O-N 3.41Å; E256-K259 WeakPolarHBondContact O-CB 3.25Å; E256-K259 PolarHBondContact O-N 2.73Å; E256-K259 IonicContact OE2-NZ 3.65Å; E256-Q260 WeakPolarHBondContact O-CG 3.36Å; E256-Q260 PolarHBondContact O-N 3.28Å
257V59.2Low59.2Low70 Ų70103.8 Ų103.842%0.42455%0.552SS.*Hα-helixtrans-66.6-42.8176.51750000111E253 K259 Q260 Q261E253-V257 WeakPolarHBondContact O-CB 3.3Å; E253-V257 VanDerWaalsContact O-CG2 3.3Å; E253-V257 WeakPolarHBondContact O-CG2 3.43Å; E253-V257 PolarHBondContact O-N 2.77Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 PolarHBondContact O-N 3.4Å; V257-Q260 PolarHBondContact O-N 2.91Å; V257-Q261 HydrophobicContact CG1-CG 4.35Å; V257-Q261 WeakPolarHBondContact O-CB 3.36Å; V257-Q261 WeakPolarHBondContact O-CG 3.43Å; V257-Q261 PolarHBondContact O-N 2.84Å
258C57.8Low57.4Low66 Ų66105.4 Ų105.445%0.44657%0.57SS.*Hα-helixtrans-60.8-41.9172.4-96.20000111.4K254 Q260 Q261 I262K254-C258 VanDerWaalsContact O-CB 3.22Å; K254-C258 WeakPolarHBondContact O-CB 3.36Å; K254-C258 PolarHBondContact O-N 2.9Å; C258-Q260 VanDerWaalsContact C-N 3.34Å; C258-Q260 PolarHBondContact O-N 3.43Å; C258-Q261 PolarHBondContact O-N 2.76Å; C258-I262 HydrophobicContact CB-CD1 4.43Å; C258-I262 VanDerWaalsContact O-CB 3.3Å; C258-I262 WeakPolarHBondContact O-CB 3.41Å; C258-I262 VanDerWaalsContact O-CD1 3.32Å; C258-I262 WeakPolarHBondContact O-CD1 3.12Å; C258-I262 WeakPolarHBondContact O-CG1 3.46Å; C258-I262 PolarHBondContact O-N 3.04Å
259K62.7Low56Low122 Ų122109.9 Ų109.953%0.5359%0.589SS.*Hα-helixtrans-60.9-42.5175.9-76.1169.1-1761690111.8I255 E256 V257 A263I255-K259 HydrophobicContact CG2-CD 4.18Å; I255-K259 WeakPolarHBondContact O-CB 3.42Å; I255-K259 WeakPolarHBondContact O-CG 3.17Å; I255-K259 PolarHBondContact O-N 3.28Å; E256-K259 WeakPolarHBondContact O-CB 3.25Å; E256-K259 PolarHBondContact O-N 2.73Å; E256-K259 IonicContact OE2-NZ 3.65Å; V257-K259 VanDerWaalsContact C-N 3.33Å; V257-K259 PolarHBondContact O-N 3.4Å; K259-A263 VanDerWaalsContact O-CB 3.29Å; K259-A263 WeakPolarHBondContact O-CB 3.46Å; K259-A263 PolarHBondContact O-N 3.22Å
260Q59.7Low55.3Low125 Ų125114.4 Ų114.458%0.58461%0.611SS**Hα-helixtrans-69.6-37.7178.3-72178.10.400112.7E256 V257 C258 A263 S264E256-Q260 WeakPolarHBondContact O-CG 3.36Å; E256-Q260 PolarHBondContact O-N 3.28Å; V257-Q260 PolarHBondContact O-N 2.91Å; C258-Q260 VanDerWaalsContact C-N 3.34Å; C258-Q260 PolarHBondContact O-N 3.43Å; Q260-A263 PolarHBondContact O-N 2.89Å; Q260-S264 WeakPolarHBondContact O-CB 3.13Å; Q260-S264 PolarHBondContact O-N 2.78Å; Q260-S264 PolarHBondContact O-OG 2.85Å
261Q58.7Low55.4Low119 Ų119116.9 Ų116.956%0.55662%0.621SS**Hα-helixtrans-68.5-42.1174.9-74.9-179.8-17.500111.8V257 C258 A263 S264 S265V257-Q261 HydrophobicContact CG1-CG 4.35Å; V257-Q261 WeakPolarHBondContact O-CB 3.36Å; V257-Q261 WeakPolarHBondContact O-CG 3.43Å; V257-Q261 PolarHBondContact O-N 2.84Å; C258-Q261 PolarHBondContact O-N 2.76Å; Q261-A263 VanDerWaalsContact C-N 3.3Å; Q261-A263 PolarHBondContact O-N 3.04Å; Q261-S264 PolarHBondContact O-N 3.03Å; Q261-S264 PolarHBondContact O-OG 3.4Å; Q261-S265 PolarHBondContact O-N 2.7Å; Q261-S265 PolarHBondContact O-OG 3.47Å
262I59.1Low55.7Low124 Ų124116.4 Ų116.464%0.63663%0.627SS**Hα-helixtrans-65.2-35.3175.7-66.3163.6000110.9C258 S264 S265C258-I262 HydrophobicContact CB-CD1 4.43Å; C258-I262 VanDerWaalsContact O-CB 3.3Å; C258-I262 WeakPolarHBondContact O-CB 3.41Å; C258-I262 VanDerWaalsContact O-CD1 3.32Å; C258-I262 WeakPolarHBondContact O-CD1 3.12Å; C258-I262 WeakPolarHBondContact O-CG1 3.46Å; C258-I262 PolarHBondContact O-N 3.04Å; I262-S264 VanDerWaalsContact C-N 3.32Å; I262-S264 PolarHBondContact O-N 3.38Å; I262-S265 PolarHBondContact O-OG 2.95Å
263A59Low56.1Low91 Ų91114 Ų11475%0.75262%0.622SS**Hα-helixtrans-72.8-20.1176.500000114K259 Q260 Q261K259-A263 VanDerWaalsContact O-CB 3.29Å; K259-A263 WeakPolarHBondContact O-CB 3.46Å; K259-A263 PolarHBondContact O-N 3.22Å; Q260-A263 PolarHBondContact O-N 2.89Å; Q261-A263 VanDerWaalsContact C-N 3.3Å; Q261-A263 PolarHBondContact O-N 3.04Å
264S59.2Low56.7Low94 Ų94111.3 Ų111.366%0.65762%0.615SS**Hα-helixtrans-106.7-16.7-176.452.10000114.3Q260 Q261 I262 K266Q260-S264 WeakPolarHBondContact O-CB 3.13Å; Q260-S264 PolarHBondContact O-N 2.78Å; Q260-S264 PolarHBondContact O-OG 2.85Å; Q261-S264 PolarHBondContact O-N 3.03Å; Q261-S264 PolarHBondContact O-OG 3.4Å; I262-S264 VanDerWaalsContact C-N 3.32Å; I262-S264 PolarHBondContact O-N 3.38Å; S264-K266 PolarHBondContact O-N 2.8Å
265S55.1Low57.4Low80 Ų80108.6 Ų108.656%0.55961%0.605SS**  trans-76.9109.417558.50000111.4Q261 I262Q261-S265 PolarHBondContact O-N 2.7Å; Q261-S265 PolarHBondContact O-OG 3.47Å; I262-S265 PolarHBondContact O-OG 2.95Å
266K52.2Low58.4Low187 Ų187108.5 Ų108.581%0.81361%0.608SS**  trans-60.1134.8159.1-82.6179.9176.2177.90108.4S264 V268S264-K266 PolarHBondContact O-N 2.8Å; K266-V268 PolarHBondContact O-N 2.87Å
267P51.8Low59.3Low127 Ų127108 Ų10883%0.82561%0.608SS**  trans-65.9108.3179.926.3-31.4000108.8
268V51.7Low60.2Low138 Ų138109.1 Ų109.184%0.83661%0.611SS**  trans-78.5132.5164.1178.50000106.9K266 D270K266-V268 PolarHBondContact O-N 2.87Å; V268-D270 PolarHBondContact O-N 2.86Å
269H50.4Low61.2Low169 Ų169110.9 Ų110.978%0.78261%0.613SS**SBendtrans-56.1100-174.7-114-82.3000112.5
270D49.7Very low62.3Low137 Ų137112.2 Ų112.273%0.73362%0.619SS**  trans-154.877.4147.2-110.4-21000106.9V268 T274V268-D270 PolarHBondContact O-N 2.86Å; D270-T274 PolarHBondContact O-OG1 2.79Å
271T55.3Low63.3Low78 Ų78111 Ų11148%0.47962%0.616SS.*Hα-helixtrans-89-13.8-150.8-10.60000115.1Q275T271-Q275 WeakPolarHBondContact O-CB 3.47Å; T271-Q275 PolarHBondContact O-OE1 2.89Å
272S58.6Low64.4Low93 Ų93111 Ų11165%0.6562%0.617SS**Hα-helixtrans-91-50-174.284.60000114Q275 T276S272-Q275 PolarHBondContact O-N 2.89Å; S272-T276 PolarHBondContact O-N 3.35Å; S272-T276 PolarHBondContact O-OG1 2.84Å
273V61.8Low65.7Low95 Ų95108.1 Ų108.158%0.57661%0.612SS**Hα-helixtrans-71-39.3-175.3-178.20000111Q275 T276 N277V273-Q275 VanDerWaalsContact C-N 3.34Å; V273-Q275 PolarHBondContact O-N 2.93Å; V273-T276 WeakPolarHBondContact CA-OG1 3.06Å; V273-T276 PolarHBondContact O-N 2.87Å; V273-T276 PolarHBondContact O-OG1 2.81Å; V273-N277 PolarHBondContact O-N 2.75Å
274T62Low66.9Low79 Ų79108.9 Ų108.949%0.48560%0.6SS.*Hα-helixtrans-66.9-36.9179.3-24.80000111.3D270 N277 I278D270-T274 PolarHBondContact O-OG1 2.79Å; T274-N277 PolarHBondContact O-N 3.43Å; T274-I278 VanDerWaalsContact O-CG1 3.3Å; T274-I278 WeakPolarHBondContact O-CG1 3.22Å; T274-I278 PolarHBondContact O-N 3.19Å
275Q65.1Low68.1Low104 Ų104108.5 Ų108.549%0.48659%0.59SS.*Hα-helixtrans-69-41.8178.2-171.3150.88.700112.1T271 S272 V273 N277 I278 E279T271-Q275 WeakPolarHBondContact O-CB 3.47Å; T271-Q275 PolarHBondContact O-OE1 2.89Å; S272-Q275 PolarHBondContact O-N 2.89Å; V273-Q275 VanDerWaalsContact C-N 3.34Å; V273-Q275 PolarHBondContact O-N 2.93Å; Q275-N277 VanDerWaalsContact C-N 3.3Å; Q275-N277 PolarHBondContact O-N 2.79Å; Q275-I278 PolarHBondContact O-N 2.84Å; Q275-E279 WeakPolarHBondContact O-CG 3.24Å; Q275-E279 PolarHBondContact O-N 2.86Å
276T76.9Confident69.5Low79 Ų79108.2 Ų108.249%0.48559%0.588SS.*Hα-helixtrans-61.2-36.3173.339.60000113.2S272 V273 K280S272-T276 PolarHBondContact O-N 3.35Å; S272-T276 PolarHBondContact O-OG1 2.84Å; V273-T276 WeakPolarHBondContact CA-OG1 3.06Å; V273-T276 PolarHBondContact O-N 2.87Å; V273-T276 PolarHBondContact O-OG1 2.81Å; T276-K280 WeakPolarHBondContact O-CB 3.34Å; T276-K280 PolarHBondContact O-N 2.8Å
277N78.4Confident71.2Confident90 Ų90101.9 Ų101.948%0.48157%0.57SS.*Hα-helixtrans-70.7-39.4177.5-73.5-21.7000112.1V273 T274 Q275 K280 L281V273-N277 PolarHBondContact O-N 2.75Å; T274-N277 PolarHBondContact O-N 3.43Å; Q275-N277 VanDerWaalsContact C-N 3.3Å; Q275-N277 PolarHBondContact O-N 2.79Å; N277-K280 PolarHBondContact O-N 3.17Å; N277-L281 WeakPolarHBondContact O-CB 3.3Å; N277-L281 VanDerWaalsContact O-CG 3.31Å; N277-L281 WeakPolarHBondContact O-CG 3.39Å; N277-L281 PolarHBondContact O-N 2.91Å
278I78.4Confident72.6Confident94 Ų9499.7 Ų99.748%0.48255%0.551SS.*Hα-helixtrans-63.9-46.7176.1-68.6165.3000110.2T274 Q275 K280 L281 M282T274-I278 VanDerWaalsContact O-CG1 3.3Å; T274-I278 WeakPolarHBondContact O-CG1 3.22Å; T274-I278 PolarHBondContact O-N 3.19Å; Q275-I278 PolarHBondContact O-N 2.84Å; I278-K280 VanDerWaalsContact C-N 3.33Å; I278-K280 PolarHBondContact O-N 3.05Å; I278-L281 PolarHBondContact O-N 3.35Å; I278-M282 HydrophobicContact CG2-CG 4.29Å; I278-M282 HydrophobicContact CG2-SD 4.34Å; I278-M282 VanDerWaalsContact O-CG 3.3Å; I278-M282 WeakPolarHBondContact O-CG 2.94Å; I278-M282 PolarHBondContact O-N 2.91Å
279E79.7Confident74.3Confident104 Ų104101.9 Ų101.949%0.48654%0.544SS..Hα-helixtrans-60.4-43177.7-73.2174-176.700111.9Q275 M282 A283Q275-E279 WeakPolarHBondContact O-CG 3.24Å; Q275-E279 PolarHBondContact O-N 2.86Å; E279-M282 PolarHBondContact O-N 2.88Å; E279-A283 WeakPolarHBondContact O-CB 3.36Å; E279-A283 PolarHBondContact O-N 2.88Å
280K85.1Confident76.1Confident150 Ų150100.8 Ų100.865%0.65254%0.539SS*.Hα-helixtrans-62.3-44.2175.7-169.6179.4179.2-175.40112.1T276 N277 I278 A283 E284T276-K280 WeakPolarHBondContact O-CB 3.34Å; T276-K280 PolarHBondContact O-N 2.8Å; N277-K280 PolarHBondContact O-N 3.17Å; I278-K280 VanDerWaalsContact C-N 3.33Å; I278-K280 PolarHBondContact O-N 3.05Å; K280-A283 PolarHBondContact O-N 2.8Å; K280-E284 WeakPolarHBondContact O-CB 3.25Å; K280-E284 PolarHBondContact O-N 2.88Å
281L81.1Confident77.7Confident99 Ų9999.5 Ų99.552%0.51853%0.529SS..Hα-helixtrans-66.4-39.2177-75168.9000112.2N277 I278 E284 I285N277-L281 WeakPolarHBondContact O-CB 3.3Å; N277-L281 VanDerWaalsContact O-CG 3.31Å; N277-L281 WeakPolarHBondContact O-CG 3.39Å; N277-L281 PolarHBondContact O-N 2.91Å; I278-L281 PolarHBondContact O-N 3.35Å; L281-E284 PolarHBondContact O-N 2.88Å; L281-I285 WeakPolarHBondContact O-CB 3.47Å; L281-I285 VanDerWaalsContact O-CG1 3.28Å; L281-I285 WeakPolarHBondContact O-CG1 3.44Å; L281-I285 PolarHBondContact O-N 3.24Å
282M82.1Confident79Confident119 Ų11999.9 Ų99.959%0.58653%0.528SS*.Hα-helixtrans-65.6-40.1175.1-69.8-164.1-31.600111.7I278 E279 I285 S286I278-M282 HydrophobicContact CG2-CG 4.29Å; I278-M282 HydrophobicContact CG2-SD 4.34Å; I278-M282 VanDerWaalsContact O-CG 3.3Å; I278-M282 WeakPolarHBondContact O-CG 2.94Å; I278-M282 PolarHBondContact O-N 2.91Å; E279-M282 PolarHBondContact O-N 2.88Å; M282-I285 PolarHBondContact O-N 2.89Å; M282-S286 WeakPolarHBondContact O-CB 3.32Å; M282-S286 PolarHBondContact O-N 3Å
283A86Confident80.3Confident64 Ų6498.3 Ų98.353%0.52952%0.521SS..Hα-helixtrans-63.2-41.717400000111.5E279 K280 S286 A287E279-A283 WeakPolarHBondContact O-CB 3.36Å; E279-A283 PolarHBondContact O-N 2.88Å; K280-A283 PolarHBondContact O-N 2.8Å; A283-S286 PolarHBondContact O-N 2.78Å; A283-A287 WeakPolarHBondContact O-CB 3.41Å; A283-A287 PolarHBondContact O-N 3.22Å
284E85.2Confident81.4Confident106 Ų10696.8 Ų96.850%0.49552%0.518SS..Hα-helixtrans-65.4-44.7176.4-172.7171.8-175.100112.2K280 L281 S286 A287 L288K280-E284 WeakPolarHBondContact O-CB 3.25Å; K280-E284 PolarHBondContact O-N 2.88Å; L281-E284 PolarHBondContact O-N 2.88Å; E284-S286 VanDerWaalsContact C-N 3.27Å; E284-S286 PolarHBondContact O-N 2.92Å; E284-A287 PolarHBondContact O-N 2.92Å; E284-L288 HydrophobicContact CG-CD1 4.16Å; E284-L288 WeakPolarHBondContact O-CB 3.36Å; E284-L288 WeakPolarHBondContact O-CG 3.43Å; E284-L288 PolarHBondContact O-N 3.27Å
285I83Confident82.2Confident86 Ų8697.7 Ų97.744%0.44152%0.52SS..Hα-helixtrans-60.3-40.8173.9-70.5167.2000110.7L281 M282 R289L281-I285 WeakPolarHBondContact O-CB 3.47Å; L281-I285 VanDerWaalsContact O-CG1 3.28Å; L281-I285 WeakPolarHBondContact O-CG1 3.44Å; L281-I285 PolarHBondContact O-N 3.24Å; M282-I285 PolarHBondContact O-N 2.89Å; I285-R289 HydrophobicContact CG2-CG 4.46Å; I285-R289 WeakPolarHBondContact O-CB 3.45Å; I285-R289 VanDerWaalsContact O-CG 3.26Å; I285-R289 WeakPolarHBondContact O-CG 3.35Å; I285-R289 PolarHBondContact O-N 3.5Å
286S84.3Confident83Confident75 Ų75100.1 Ų100.152%0.52453%0.529SS..Hα-helixtrans-64.6-43.8177.1-170.40000111.7M282 A283 E284 R289 Q290M282-S286 WeakPolarHBondContact O-CB 3.32Å; M282-S286 PolarHBondContact O-N 3Å; A283-S286 PolarHBondContact O-N 2.78Å; E284-S286 VanDerWaalsContact C-N 3.27Å; E284-S286 PolarHBondContact O-N 2.92Å; S286-R289 PolarHBondContact O-N 3.39Å; S286-Q290 PolarHBondContact O-N 3.05Å; S286-Q290 VanDerWaalsContact O-N 3.07Å
287A88Confident83.2Confident53 Ų53101 Ų10144%0.43853%0.528SS..Hα-helixtrans-62.5-47.4175.900000111.6A283 E284 R289 Q290 E291A283-A287 WeakPolarHBondContact O-CB 3.41Å; A283-A287 PolarHBondContact O-N 3.22Å; E284-A287 PolarHBondContact O-N 2.92Å; A287-R289 VanDerWaalsContact C-N 3.33Å; A287-R289 PolarHBondContact O-N 3.02Å; A287-Q290 WeakPolarHBondContact O-CB 3.33Å; A287-Q290 PolarHBondContact O-N 3.02Å; A287-Q290 VanDerWaalsContact O-N 3.15Å; A287-E291 WeakPolarHBondContact O-CB 3.24Å; A287-E291 PolarHBondContact O-N 2.91Å
288L82.9Confident83.3Confident81 Ų81100.3 Ų100.342%0.42453%0.529SS..Hα-helixtrans-63.5-35.8178.2-73.1171.5000112.6E284 N292E284-L288 HydrophobicContact CG-CD1 4.16Å; E284-L288 WeakPolarHBondContact O-CB 3.36Å; E284-L288 WeakPolarHBondContact O-CG 3.43Å; E284-L288 PolarHBondContact O-N 3.27Å; L288-N292 VanDerWaalsContact O-CB 3.3Å; L288-N292 WeakPolarHBondContact O-CB 3.36Å; L288-N292 PolarHBondContact O-N 2.85Å; L288-N292 PolarHBondContact O-ND2 2.58Å
289R86.7Confident83.3Confident184 Ų18498.8 Ų98.869%0.69452%0.522SS*.Hα-helixtrans-66.9-39.8174-77.3175.3176.1-174.70.7111.7I285 S286 A287 A293I285-R289 HydrophobicContact CG2-CG 4.46Å; I285-R289 WeakPolarHBondContact O-CB 3.45Å; I285-R289 VanDerWaalsContact O-CG 3.26Å; I285-R289 WeakPolarHBondContact O-CG 3.35Å; I285-R289 PolarHBondContact O-N 3.5Å; S286-R289 PolarHBondContact O-N 3.39Å; A287-R289 VanDerWaalsContact C-N 3.33Å; A287-R289 PolarHBondContact O-N 3.02Å; R289-A293 WeakPolarHBondContact O-CB 3.43Å; R289-A293 PolarHBondContact O-N 2.83Å
290Q87.4Confident83.3Confident146 Ų14695.8 Ų95.868%0.68251%0.509SS*.Hα-helixtrans-67.2-43.3176.1-172.5177.74.400111.5S286 A287 A293 A294S286-Q290 PolarHBondContact O-N 3.05Å; S286-Q290 VanDerWaalsContact O-N 3.07Å; A287-Q290 WeakPolarHBondContact O-CB 3.33Å; A287-Q290 PolarHBondContact O-N 3.02Å; A287-Q290 VanDerWaalsContact O-N 3.15Å; Q290-A293 WeakPolarHBondContact O-CB 3.35Å; Q290-A293 PolarHBondContact O-N 2.97Å; Q290-A294 PolarHBondContact O-N 2.83Å
291E84.2Confident83Confident111 Ų11194 Ų9452%0.51950%0.503SS..Hα-helixtrans-62-46.4175.1-172.6-177.6176.700111.4A287 A293 A294 L295A287-E291 WeakPolarHBondContact O-CB 3.24Å; A287-E291 PolarHBondContact O-N 2.91Å; E291-A293 VanDerWaalsContact C-N 3.28Å; E291-A293 PolarHBondContact O-N 3.02Å; E291-A294 PolarHBondContact O-N 2.89Å; E291-A294 VanDerWaalsContact O-N 3.13Å; E291-L295 HydrophobicContact CG-CD1 4.14Å; E291-L295 HydrophobicContact CG-CG 4.47Å; E291-L295 WeakPolarHBondContact O-CB 3.09Å; E291-L295 WeakPolarHBondContact O-CG 3.13Å; E291-L295 PolarHBondContact O-N 3.39Å
292N82.2Confident82.8Confident85 Ų8594.2 Ų94.246%0.45550%0.504SS..Hα-helixtrans-60.3-36.7174.8-86.7-65.7000112.7L288 K296L288-N292 VanDerWaalsContact O-CB 3.3Å; L288-N292 WeakPolarHBondContact O-CB 3.36Å; L288-N292 PolarHBondContact O-N 2.85Å; L288-N292 PolarHBondContact O-ND2 2.58Å; N292-K296 WeakPolarHBondContact O-CB 3.39Å; N292-K296 VanDerWaalsContact O-CG 3.28Å; N292-K296 WeakPolarHBondContact O-CG 3.42Å; N292-K296 PolarHBondContact O-N 3.49Å
293A85.1Confident82.6Confident60 Ų6095.9 Ų95.950%0.49650%0.504SS..Hα-helixtrans-66.5-42.5174.400000111.5R289 Q290 E291 K296 E297R289-A293 WeakPolarHBondContact O-CB 3.43Å; R289-A293 PolarHBondContact O-N 2.83Å; Q290-A293 WeakPolarHBondContact O-CB 3.35Å; Q290-A293 PolarHBondContact O-N 2.97Å; E291-A293 VanDerWaalsContact C-N 3.28Å; E291-A293 PolarHBondContact O-N 3.02Å; A293-K296 PolarHBondContact O-N 2.8Å; A293-E297 PolarHBondContact O-N 2.98Å
294A85.7Confident82.3Confident64 Ų6498.5 Ų98.553%0.52950%0.5SS..Hα-helixtrans-65-42.517600000112.3Q290 E291 E297 S298Q290-A294 PolarHBondContact O-N 2.83Å; E291-A294 PolarHBondContact O-N 2.89Å; E291-A294 VanDerWaalsContact O-N 3.13Å; A294-E297 PolarHBondContact O-N 2.79Å; A294-S298 WeakPolarHBondContact O-CB 3.36Å; A294-S298 PolarHBondContact O-N 3Å
295L78Confident81.7Confident98 Ų9895.8 Ų95.851%0.51349%0.491SS..Hα-helixtrans-63.4-41.4175.6-73.9169.9000111.8E291 E297 S298 D299E291-L295 HydrophobicContact CG-CD1 4.14Å; E291-L295 HydrophobicContact CG-CG 4.47Å; E291-L295 WeakPolarHBondContact O-CB 3.09Å; E291-L295 WeakPolarHBondContact O-CG 3.13Å; E291-L295 PolarHBondContact O-N 3.39Å; L295-E297 VanDerWaalsContact C-N 3.34Å; L295-E297 PolarHBondContact O-N 2.93Å; L295-S298 PolarHBondContact O-N 3.38Å; L295-D299 PolarHBondContact O-N 3.19Å
296K81.9Confident81.2Confident154 Ų15495 Ų9567%0.6749%0.49SS*.Hα-helixtrans-62.8-39.6174.5-78.2174.1-178.2175.30112.3N292 A293 L300N292-K296 WeakPolarHBondContact O-CB 3.39Å; N292-K296 VanDerWaalsContact O-CG 3.28Å; N292-K296 WeakPolarHBondContact O-CG 3.42Å; N292-K296 PolarHBondContact O-N 3.49Å; A293-K296 PolarHBondContact O-N 2.8Å; K296-L300 WeakPolarHBondContact O-CB 3.38Å; K296-L300 PolarHBondContact O-N 3.49Å
297E81.9Confident80.3Confident99 Ų9994 Ų9446%0.46349%0.486SS..Hα-helixtrans-70.1-36.2175.7-166.959.1-149.300111.5A293 A294 L295 L300 H301 R304A293-E297 PolarHBondContact O-N 2.98Å; A294-E297 PolarHBondContact O-N 2.79Å; L295-E297 VanDerWaalsContact C-N 3.34Å; L295-E297 PolarHBondContact O-N 2.93Å; E297-L300 WeakPolarHBondContact O-CB 3.35Å; E297-L300 PolarHBondContact O-N 2.74Å; E297-H301 WeakPolarHBondContact O-CB 3.13Å; E297-H301 PolarHBondContact O-N 3.12Å; E297-R304 IonicContact OE1-NH1 2.83Å
298S80.6Confident79.1Confident74 Ų7496.2 Ų96.252%0.51749%0.49SS..Hα-helixtrans-66.8-42.9174.6-169.30000112.7A294 L295 L300 H301 L302A294-S298 WeakPolarHBondContact O-CB 3.36Å; A294-S298 PolarHBondContact O-N 3Å; L295-S298 PolarHBondContact O-N 3.38Å; S298-L300 VanDerWaalsContact C-N 3.32Å; S298-L300 PolarHBondContact O-N 3.25Å; S298-H301 PolarHBondContact O-N 3.25Å; S298-L302 WeakPolarHBondContact O-CB 3.35Å; S298-L302 PolarHBondContact O-N 2.81Å
299D77.9Confident77.8Confident63 Ų6395.1 Ų95.134%0.33749%0.489SS..Hα-helixtrans-62.2-39.9172.6177.860.6000111.1L295 L302 R303L295-D299 PolarHBondContact O-N 3.19Å; D299-L302 PolarHBondContact O-N 3.2Å; D299-R303 WeakPolarHBondContact O-CB 3.44Å; D299-R303 VanDerWaalsContact O-CG 3.25Å; D299-R303 WeakPolarHBondContact O-CG 3.5Å; D299-R303 PolarHBondContact O-N 3.34Å; D299-R303 IonicContact OD1-NE 3.85Å; D299-R303 PolarHBondContact OD1-NE 3.11Å; D299-R303 IonicContact OD1-NH2 2.88Å; D299-R303 IonicContact OD2-CZ 3.71Å; D299-R303 IonicContact OD2-NE 3.22Å; D299-R303 PolarHBondContact OD2-NE 3.26Å; D299-R303 IonicContact OD2-NH2 3.68Å; D299-R303 PolarHBondContact OD2-NH2 3.36Å
300L79.4Confident76Confident40 Ų4091.8 Ų91.821%0.20949%0.485CS..Hα-helixtrans-64-42.3174.8-167.9102.4000111.6M1 K296 E297 S298 R303 R304M1-L300 HydrophobicContact CB-CD1 4.25Å; M1-L300 HydrophobicContact CG-CD1 4.45Å; M1-L300 VanDerWaalsContact N-CD2 3.29Å; K296-L300 WeakPolarHBondContact O-CB 3.38Å; K296-L300 PolarHBondContact O-N 3.49Å; E297-L300 WeakPolarHBondContact O-CB 3.35Å; E297-L300 PolarHBondContact O-N 2.74Å; S298-L300 VanDerWaalsContact C-N 3.32Å; S298-L300 PolarHBondContact O-N 3.25Å; L300-R303 PolarHBondContact O-N 2.86Å; L300-R304 VanDerWaalsContact CD2-CZ 3.4Å; L300-R304 WeakPolarHBondContact O-CG 3.39Å; L300-R304 PolarHBondContact O-N 3.1Å
301H79.7Confident74.3Confident113 Ų11389.8 Ų89.852%0.52348%0.483SS..Hα-helixtrans-64.4-45.9176-170.1-112.5000110.9E297 S298 R303 R304 T305E297-H301 WeakPolarHBondContact O-CB 3.13Å; E297-H301 PolarHBondContact O-N 3.12Å; S298-H301 PolarHBondContact O-N 3.25Å; H301-R303 PolarHBondContact O-N 3.35Å; H301-R304 WeakPolarHBondContact O-CB 3.46Å; H301-R304 PolarHBondContact O-N 3.04Å; H301-R304 VanDerWaalsContact O-N 3.12Å; H301-T305 PolarHBondContact O-N 2.96Å; H301-T305 PolarHBondContact O-OG1 3.46Å
302L76.9Confident72.6Confident103 Ų10388.1 Ų88.154%0.53948%0.483SS..Hα-helixtrans-59-46.7176.7-170.268.7000110.9S298 D299 R304 T305 T306S298-L302 WeakPolarHBondContact O-CB 3.35Å; S298-L302 PolarHBondContact O-N 2.81Å; D299-L302 PolarHBondContact O-N 3.2Å; L302-R304 VanDerWaalsContact C-N 3.32Å; L302-R304 PolarHBondContact O-N 3.44Å; L302-T305 VanDerWaalsContact CA-OG1 3.29Å; L302-T305 WeakPolarHBondContact CA-OG1 3.45Å; L302-T305 PolarHBondContact O-N 3.35Å; L302-T305 PolarHBondContact O-OG1 3.13Å; L302-T306 WeakPolarHBondContact O-CB 3.44Å; L302-T306 PolarHBondContact O-N 3.09Å; L302-T306 PolarHBondContact O-OG1 3.07Å
303R77.8Confident70.7Confident154 Ų15494 Ų9458%0.58150%0.498SS*.Hα-helixtrans-60.6-39175.6-73.8178.5-165.8-161.99112.6D299 L300 H301 A307D299-R303 WeakPolarHBondContact O-CB 3.44Å; D299-R303 VanDerWaalsContact O-CG 3.25Å; D299-R303 WeakPolarHBondContact O-CG 3.5Å; D299-R303 PolarHBondContact O-N 3.34Å; D299-R303 IonicContact OD1-NE 3.85Å; D299-R303 PolarHBondContact OD1-NE 3.11Å; D299-R303 IonicContact OD1-NH2 2.88Å; D299-R303 IonicContact OD2-CZ 3.71Å; D299-R303 IonicContact OD2-NE 3.22Å; D299-R303 PolarHBondContact OD2-NE 3.26Å; D299-R303 IonicContact OD2-NH2 3.68Å; D299-R303 PolarHBondContact OD2-NH2 3.36Å; L300-R303 PolarHBondContact O-N 2.86Å; H301-R303 PolarHBondContact O-N 3.35Å; R303-A307 VanDerWaalsContact O-CB 3.26Å; R303-A307 WeakPolarHBondContact O-CB 3.44Å; R303-A307 PolarHBondContact O-N 3.43Å
304R78.9Confident68.5Low120 Ų12099 Ų9945%0.45351%0.514SS..Hα-helixtrans-65.8-45.6173.7-75.8175.8179.6154.4-4.4111.1E297 L300 H301 L302 A307 I308E297-R304 IonicContact OE1-NH1 2.83Å; L300-R304 VanDerWaalsContact CD2-CZ 3.4Å; L300-R304 WeakPolarHBondContact O-CG 3.39Å; L300-R304 PolarHBondContact O-N 3.1Å; H301-R304 WeakPolarHBondContact O-CB 3.46Å; H301-R304 PolarHBondContact O-N 3.04Å; H301-R304 VanDerWaalsContact O-N 3.12Å; L302-R304 VanDerWaalsContact C-N 3.32Å; L302-R304 PolarHBondContact O-N 3.44Å; R304-A307 PolarHBondContact O-N 3.01Å; R304-I308 WeakPolarHBondContact O-CB 3.36Å; R304-I308 WeakPolarHBondContact O-CD1 3.39Å; R304-I308 WeakPolarHBondContact O-CG1 3.41Å; R304-I308 PolarHBondContact O-N 3.24Å
305T74.2Confident66.1Low49 Ų49100.1 Ų100.130%0.30152%0.517SS..Hα-helixtrans-67.1-36.9179.451.30000112.5H301 L302 I308 S309H301-T305 PolarHBondContact O-N 2.96Å; H301-T305 PolarHBondContact O-OG1 3.46Å; L302-T305 VanDerWaalsContact CA-OG1 3.29Å; L302-T305 WeakPolarHBondContact CA-OG1 3.45Å; L302-T305 PolarHBondContact O-N 3.35Å; L302-T305 PolarHBondContact O-OG1 3.13Å; T305-I308 PolarHBondContact O-N 3.27Å; T305-S309 VanDerWaalsContact O-CB 3.24Å; T305-S309 WeakPolarHBondContact O-CB 3.28Å; T305-S309 PolarHBondContact O-N 2.88Å; T305-S309 PolarHBondContact O-OG 2.88Å
306T71Confident64Low68 Ų68101.6 Ų101.642%0.41753%0.53SS..Hα-helixtrans-68.3-43.7174.9-54.30000110.7L302 I308 S309 D310L302-T306 WeakPolarHBondContact O-CB 3.44Å; L302-T306 PolarHBondContact O-N 3.09Å; L302-T306 PolarHBondContact O-OG1 3.07Å; T306-I308 VanDerWaalsContact C-N 3.3Å; T306-I308 PolarHBondContact O-N 3.04Å; T306-S309 PolarHBondContact O-N 2.91Å; T306-D310 WeakPolarHBondContact O-CB 3.35Å; T306-D310 PolarHBondContact O-N 3.04Å
307A65.2Low61.9Low54 Ų54102.8 Ų102.845%0.44654%0.539SS..Hα-helixtrans-61.3-38.1174.800000112.5R303 R304 T311R303-A307 VanDerWaalsContact O-CB 3.26Å; R303-A307 WeakPolarHBondContact O-CB 3.44Å; R303-A307 PolarHBondContact O-N 3.43Å; R304-A307 PolarHBondContact O-N 3.01Å; A307-T311 PolarHBondContact O-N 2.97Å; A307-T311 PolarHBondContact O-OG1 3.02Å
308I63.1Low59.8Low101 Ų101109.2 Ų109.252%0.51856%0.56SS.*Hα-helixtrans-73.1-38.3175.5-65.6163.9000110.7R304 T305 T306 D310 T311 C312R304-I308 WeakPolarHBondContact O-CB 3.36Å; R304-I308 WeakPolarHBondContact O-CD1 3.39Å; R304-I308 WeakPolarHBondContact O-CG1 3.41Å; R304-I308 PolarHBondContact O-N 3.24Å; T305-I308 PolarHBondContact O-N 3.27Å; T306-I308 VanDerWaalsContact C-N 3.3Å; T306-I308 PolarHBondContact O-N 3.04Å; I308-D310 VanDerWaalsContact C-N 3.33Å; I308-D310 PolarHBondContact O-N 3.41Å; I308-T311 CarbonylContact O-C 3.51Å; I308-T311 WeakPolarHBondContact O-CA 3.25Å; I308-T311 PolarHBondContact O-N 3.09Å; I308-C312 WeakPolarHBondContact O-CB 3.09Å; I308-C312 PolarHBondContact O-N 2.86Å
309S56.9Low57.6Low58 Ų58109.3 Ų109.341%0.40657%0.573SS.*Hα-helixtrans-66.4-35.7178.4-58.70000111.9T305 T306 T311 C312 R313T305-S309 VanDerWaalsContact O-CB 3.24Å; T305-S309 WeakPolarHBondContact O-CB 3.28Å; T305-S309 PolarHBondContact O-N 2.88Å; T305-S309 PolarHBondContact O-OG 2.88Å; T306-S309 PolarHBondContact O-N 2.91Å; S309-T311 PolarHBondContact O-N 3Å; S309-C312 PolarHBondContact O-N 3.02Å; S309-R313 VanDerWaalsContact O-CB 3.29Å; S309-R313 WeakPolarHBondContact O-CB 3.33Å; S309-R313 PolarHBondContact O-N 3.06Å
310D47.7Very low55.7Low114 Ų114111 Ų11161%0.6160%0.596SS**Hα-helixtrans-71.5-20.4173.4-68.5-18.5000112T306 I308T306-D310 WeakPolarHBondContact O-CB 3.35Å; T306-D310 PolarHBondContact O-N 3.04Å; I308-D310 VanDerWaalsContact C-N 3.33Å; I308-D310 PolarHBondContact O-N 3.41Å
311T52Low53.7Low104 Ų104121 Ų12164%0.63863%0.631SS**Hα-helixtrans-92.9-23.7174.7-43.60000112.6A307 I308 S309A307-T311 PolarHBondContact O-N 2.97Å; A307-T311 PolarHBondContact O-OG1 3.02Å; I308-T311 CarbonylContact O-C 3.51Å; I308-T311 WeakPolarHBondContact O-CA 3.25Å; I308-T311 PolarHBondContact O-N 3.09Å; S309-T311 PolarHBondContact O-N 3Å
312C47.8Very low51.8Low76 Ų76121.4 Ų121.451%0.51465%0.646SS.*Hα-helixtrans-102.1-13.4-179-78.80000114.5I308 S309 M314 S315I308-C312 WeakPolarHBondContact O-CB 3.09Å; I308-C312 PolarHBondContact O-N 2.86Å; S309-C312 PolarHBondContact O-N 3.02Å; C312-M314 PolarHBondContact O-N 3.49Å; C312-M314 VanDerWaalsContact O-N 3.16Å; C312-S315 PolarHBondContact O-N 3.12Å
313R43.8Very low49.9Very low207 Ų207125.1 Ų125.178%0.78166%0.663SS**THydrogen-bonded Turntrans-70.70.5171-97.5-175.4139.2134.8-2.5114.4S309S309-R313 VanDerWaalsContact O-CB 3.29Å; S309-R313 WeakPolarHBondContact O-CB 3.33Å; S309-R313 PolarHBondContact O-N 3.06Å
314M38.7Very low48.1Very low167 Ų167122.4 Ų122.482%0.82367%0.673SS**THydrogen-bonded Turntrans-110.18.3175-68.7-75.591.900114.3C312C312-M314 PolarHBondContact O-N 3.49Å; C312-M314 VanDerWaalsContact O-N 3.16Å
315S35.8Very low46.3Very low86 Ų86121.3 Ų121.360%0.60169%0.69SS**  trans-142.560.7-173-18.20000112.5C312C312-S315 PolarHBondContact O-N 3.12Å
316T34Very low44.7Very low129 Ų129125.8 Ų125.879%0.79171%0.712SS**  trans-142.768.4165.435.90000110.5
317E37.1Very low43.2Very low180 Ų180129.6 Ų129.684%0.84173%0.73SS**  trans-161137.9153.8-110.5167.4-165.600106.5
318Y38.2Very low41.7Very low233 Ų233130 Ų13091%0.91474%0.739SS**SBendtrans88.886.1-168.9-62.4-85.1000117.3
319G33.6Very low40.4Very low77 Ų77136.5 Ų136.579%0.79476%0.757SS**  92.584.3108.900000116.8
320A38.2Very low39.4Very low98 Ų98142.6 Ų142.681%0.8178%0.779SS**  trans-57.4132.4159.600000112.2
321R37.5Very low39Very low250 Ų250146.1 Ų146.194%0.94379%0.791SS**  trans-178.9130.5132.1-102.8168.1-173.9-179.72.2113.4
322S39.2Very low38.1Very low122 Ų122148.2 Ų148.285%0.85380%0.799SS**  trans86.1119.6145.2-150.30000120.6
323M37.5Very low37.5Very low181 Ų181154 Ų15489%0.89282%0.818SS**  trans-71.2151.1169.3-60.7178.5-92.300112
324A39.1Very low37Very low96 Ų96151.9 Ų151.979%0.79382%0.821SS**  151.8113.8116.500000113.2
325A41.5Very low36.7Very low97 Ų97155 Ų15580%0.80282%0.823SS**  trans44121.113300000122.3
326N40.3Very low36.6Very low144 Ų144154.9 Ų154.977%0.7783%0.827SS**  111.6123.5120.5-138.137.8000119.5
327D39.1Very low36.6Very low148 Ų148156.2 Ų156.279%0.79183%0.83SS**  trans67.3132.2141.2-108.5-29.5000122.9
328G35.4Very low36.6Very low62 Ų62153.1 Ų153.164%0.63982%0.823SS**  trans108100.7130.500000119.6
329R35Very low36.9Very low238 Ų238150.7 Ų150.790%0.89882%0.818SS**  trans74116.8135.3-67178.7177167.20.3121
330H35.5Very low37.4Very low186 Ų186151.4 Ų151.486%0.86181%0.81SS**  trans26.2114.6130.4-74.4-83.3000119
331H39.4Very low38Very low187 Ų187154.5 Ų154.587%0.86681%0.813SS**  -167.1147.3114.2-139.124.2000112.7
332N32.8Very low39.4Very low149 Ų149146.3 Ų146.380%0.79779%0.787SS**  trans-59.6133.1176-79.4-29.9000112.4
333Q36.7Very low41.1Very low196 Ų196144 Ų14492%0.91677%0.77SS**  trans-156.9126.1143.4-142159.25.300113
334I33Very low43Very low164 Ų164140.6 Ų140.684%0.84176%0.761SS**  trans-72.9118.5176.3-63.6165.7000108.9
335R32.6Very low45.1Very low233 Ų233141.4 Ų141.488%0.87975%0.751SS**  trans-171.4121.3148.1-123.2172.5176.3160.4-2113.7
336A32Very low46.9Very low82 Ų82141 Ų14168%0.67874%0.735SS**  trans41.194.414300000119
337D35.2Very low48.9Very low158 Ų158141.5 Ų141.585%0.84573%0.727SS**  trans-141.282.7149.7-84.7-37.9000108.7
338T36Very low51Low115 Ų115140.4 Ų140.471%0.70672%0.72SS**  trans-88.5131.8167-41.10000106.7
339F44.4Very low53.5Low181 Ų181141.9 Ų141.979%0.79471%0.713SS**  trans88.572174.1-56.1-79.9000118
340S44.2Very low55.8Low92 Ų92133.9 Ų133.964%0.64369%0.69SS**  trans-156.248.3163.455.40000113.9
341N51.7Low58.1Low163 Ų163127.9 Ų127.987%0.87267%0.673SS**  trans-156.950.9169.8-90.6-60.6000112.6
342I65.9Low60.4Low78 Ų78124.3 Ų124.340%0.466%0.66SS.*  trans-92.2123.2171.8-62174.6000108.3L346 Y347I342-L346 HydrophobicContact CG2-CB 3.29Å; I342-L346 HydrophobicContact CG2-CD1 4.47Å; I342-L346 HydrophobicContact CG2-CD2 3.66Å; I342-L346 HydrophobicContact CG2-CG 3.96Å; I342-Y347 HydrophobicContact CB-CE2 4.35Å; I342-Y347 HydrophobicContact CG2-CE2 4.35Å
343P76.4Confident63Low75 Ų75121.2 Ų121.249%0.48764%0.642SS.*  trans-55.1143.1178.1-2533.2000111.7I345 L346P343-I345 PolarHBondContact O-N 3.36Å; P343-L346 WeakPolarHBondContact O-CB 3.24Å; P343-L346 PolarHBondContact O-N 2.88Å
344P76.5Confident65.2Low108 Ų108116.3 Ų116.370%0.70162%0.621SS**Hα-helixtrans-51.3-28.2176.8-28.334.4000114.1L346 Y347 L348P344-L346 VanDerWaalsContact C-N 3.26Å; P344-L346 PolarHBondContact O-N 3.3Å; P344-Y347 PolarHBondContact O-N 3.1Å; P344-L348 PolarHBondContact O-N 2.99Å
345I83.5Confident67.6Low114 Ų114110.6 Ų110.659%0.58560%0.602SS**Hα-helixtrans-60.7-33.8176.2-118.3163.3000112.6P343 L348 I349P343-I345 PolarHBondContact O-N 3.36Å; I345-L348 PolarHBondContact O-N 3.24Å; I345-I349 HydrophobicContact CG2-CD1 4.19Å; I345-I349 WeakPolarHBondContact O-CG1 3.39Å; I345-I349 PolarHBondContact O-N 3.44Å; I345-I349 VanDerWaalsContact O-N 3.1Å
346L80.1Confident70Confident88 Ų88105 Ų10546%0.46159%0.59SS.*Hα-helixtrans-67.3-42-180-124.296.5000110.1I342 P343 P344 L348 I349 T350I342-L346 HydrophobicContact CG2-CB 3.29Å; I342-L346 HydrophobicContact CG2-CD1 4.47Å; I342-L346 HydrophobicContact CG2-CD2 3.66Å; I342-L346 HydrophobicContact CG2-CG 3.96Å; P343-L346 WeakPolarHBondContact O-CB 3.24Å; P343-L346 PolarHBondContact O-N 2.88Å; P344-L346 VanDerWaalsContact C-N 3.26Å; P344-L346 PolarHBondContact O-N 3.3Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.47Å; L346-I349 PolarHBondContact O-N 3.49Å; L346-I349 VanDerWaalsContact O-N 3.11Å; L346-T350 PolarHBondContact O-N 3.11Å; L346-T350 PolarHBondContact O-OG1 2.74Å
347Y81.2Confident72.3Confident155 Ų155108 Ų10861%0.60859%0.587SS**Hα-helixtrans-59.3-39.3176-74.1-82.9000112.6I342 P344 T350 A351I342-Y347 HydrophobicContact CB-CE2 4.35Å; I342-Y347 HydrophobicContact CG2-CE2 4.35Å; P344-Y347 PolarHBondContact O-N 3.1Å; Y347-T350 PolarHBondContact O-N 3.01Å; Y347-A351 VanDerWaalsContact O-CB 3.24Å; Y347-A351 WeakPolarHBondContact O-CB 2.98Å; Y347-A351 PolarHBondContact O-N 3.46Å
348L83.8Confident74.4Confident125 Ų125105.7 Ų105.765%0.65458%0.575SS**Hα-helixtrans-64.3-41.7175.3-70.6175000111.6P344 I345 L346 A351 L352P344-L348 PolarHBondContact O-N 2.99Å; I345-L348 PolarHBondContact O-N 3.24Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.47Å; L348-A351 PolarHBondContact O-N 2.86Å; L348-L352 WeakPolarHBondContact O-CB 3.42Å; L348-L352 PolarHBondContact O-N 2.95Å
349I86.9Confident76.1Confident93 Ų93102.3 Ų102.348%0.47756%0.562SS.*Hα-helixtrans-65.5-45.9176.6-65166.6000110.4I345 L346 A351 L352 I353I345-I349 HydrophobicContact CG2-CD1 4.19Å; I345-I349 WeakPolarHBondContact O-CG1 3.39Å; I345-I349 PolarHBondContact O-N 3.44Å; I345-I349 VanDerWaalsContact O-N 3.1Å; L346-I349 PolarHBondContact O-N 3.49Å; L346-I349 VanDerWaalsContact O-N 3.11Å; I349-A351 PolarHBondContact O-N 3.37Å; I349-L352 PolarHBondContact O-N 3.07Å; I349-I353 HydrophobicContact CG2-CD1 3.84Å; I349-I353 VanDerWaalsContact O-CG1 3.32Å; I349-I353 WeakPolarHBondContact O-CG1 3.32Å; I349-I353 PolarHBondContact O-N 3.01Å
350T83.3Confident77.5Confident69 Ų69103.9 Ų103.942%0.42356%0.563SS.*Hα-helixtrans-63.6-41.3177.7-6.90000111.7L346 Y347 L352 I353 I354L346-T350 PolarHBondContact O-N 3.11Å; L346-T350 PolarHBondContact O-OG1 2.74Å; Y347-T350 PolarHBondContact O-N 3.01Å; T350-L352 VanDerWaalsContact C-N 3.34Å; T350-L352 PolarHBondContact O-N 3.12Å; T350-I353 PolarHBondContact O-N 2.86Å; T350-I354 WeakPolarHBondContact O-CB 3.45Å; T350-I354 WeakPolarHBondContact O-CD1 3.49Å; T350-I354 VanDerWaalsContact O-CG1 3.23Å; T350-I354 WeakPolarHBondContact O-CG1 3.48Å; T350-I354 PolarHBondContact O-N 3.41Å
351A85.5Confident78.6Confident60 Ų60107.9 Ų107.950%0.49657%0.569SS.*Hα-helixtrans-62.8-39.217700000112.2Y347 L348 I349 G355Y347-A351 VanDerWaalsContact O-CB 3.24Å; Y347-A351 WeakPolarHBondContact O-CB 2.98Å; Y347-A351 PolarHBondContact O-N 3.46Å; L348-A351 PolarHBondContact O-N 2.86Å; I349-A351 PolarHBondContact O-N 3.37Å; A351-G355 PolarHBondContact O-N 2.87Å
352L87.2Confident79.4Confident113 Ų113106 Ų10659%0.59256%0.564SS**Hα-helixtrans-68.7-40.5177.5-169146.8000112L348 I349 T350 G355 L356L348-L352 WeakPolarHBondContact O-CB 3.42Å; L348-L352 PolarHBondContact O-N 2.95Å; I349-L352 PolarHBondContact O-N 3.07Å; T350-L352 VanDerWaalsContact C-N 3.34Å; T350-L352 PolarHBondContact O-N 3.12Å; L352-G355 PolarHBondContact O-N 3.31Å; L352-L356 HydrophobicContact CD2-CD1 3.67Å; L352-L356 HydrophobicContact CD2-CG 4.4Å; L352-L356 PolarHBondContact O-N 3.01Å
353I86.3Confident78.7Confident83 Ų83112.6 Ų112.643%0.42660%0.598SS.*Hα-helixtrans-64.6-46.2175.5-66168.6000110.4I349 T350 G355 L356 F357I349-I353 HydrophobicContact CG2-CD1 3.84Å; I349-I353 VanDerWaalsContact O-CG1 3.32Å; I349-I353 WeakPolarHBondContact O-CG1 3.32Å; I349-I353 PolarHBondContact O-N 3.01Å; T350-I353 PolarHBondContact O-N 2.86Å; I353-G355 VanDerWaalsContact C-N 3.33Å; I353-G355 PolarHBondContact O-N 2.96Å; I353-L356 PolarHBondContact O-N 2.93Å; I353-F357 HydrophobicContact CG2-CD2 3.94Å; I353-F357 HydrophobicContact CG2-CE2 4.14Å; I353-F357 WeakPolarHBondContact O-CD2 3.23Å; I353-F357 PolarHBondContact O-N 3.46Å
354I84Confident78.8Confident94 Ų94114.5 Ų114.548%0.48260%0.604SS.*Hα-helixtrans-63-41.4177.5-67165.6000110.5T350 L356 F357 L358T350-I354 WeakPolarHBondContact O-CB 3.45Å; T350-I354 WeakPolarHBondContact O-CD1 3.49Å; T350-I354 VanDerWaalsContact O-CG1 3.23Å; T350-I354 WeakPolarHBondContact O-CG1 3.48Å; T350-I354 PolarHBondContact O-N 3.41Å; I354-L356 PolarHBondContact O-N 3.37Å; I354-F357 PolarHBondContact O-N 3.38Å; I354-L358 HydrophobicContact CG2-CD1 3.7Å; I354-L358 HydrophobicContact CG2-CG 4.24Å; I354-L358 WeakPolarHBondContact O-CB 3.35Å; I354-L358 WeakPolarHBondContact O-CG 3.44Å; I354-L358 PolarHBondContact O-N 3.34Å
355G82.5Confident78.9Confident43 Ų43114.8 Ų114.844%0.44360%0.598SS.*Hα-helixtrans-61.8-41.3175.900000113.3A351 L352 I353 G359A351-G355 PolarHBondContact O-N 2.87Å; L352-G355 PolarHBondContact O-N 3.31Å; I353-G355 VanDerWaalsContact C-N 3.33Å; I353-G355 PolarHBondContact O-N 2.96Å; G355-G359 PolarHBondContact O-N 3.5Å
356L82.7Confident78.7Confident117 Ų117114.8 Ų114.861%0.61360%0.599SS**Hα-helixtrans-67.8-38.3175.7-80.1171.1000112.6L352 I353 I354 R360L352-L356 HydrophobicContact CD2-CD1 3.67Å; L352-L356 HydrophobicContact CD2-CG 4.4Å; L352-L356 PolarHBondContact O-N 3.01Å; I353-L356 PolarHBondContact O-N 2.93Å; I354-L356 PolarHBondContact O-N 3.37Å; L356-R360 PolarHBondContact O-N 3.49Å
357F81.9Confident78.6Confident143 Ų143116.4 Ų116.463%0.62761%0.607SS**Hα-helixtrans-68.9-44.8176.2-93.6-85.1000111.8I353 I354 R360 F361I353-F357 HydrophobicContact CG2-CD2 3.94Å; I353-F357 HydrophobicContact CG2-CE2 4.14Å; I353-F357 WeakPolarHBondContact O-CD2 3.23Å; I353-F357 PolarHBondContact O-N 3.46Å; I354-F357 PolarHBondContact O-N 3.38Å; F357-R360 PolarHBondContact O-N 3.33Å; F357-F361 WeakPolarHBondContact O-CD2 3.36Å; F357-F361 PolarHBondContact O-N 3.28Å
358L78Confident78.4Confident111 Ų111114 Ų11458%0.58161%0.607SS**Hα-helixtrans-68.9-35.6177.4-67.5174.4000111.9I354 R360 F361 V362I354-L358 HydrophobicContact CG2-CD1 3.7Å; I354-L358 HydrophobicContact CG2-CG 4.24Å; I354-L358 WeakPolarHBondContact O-CB 3.35Å; I354-L358 WeakPolarHBondContact O-CG 3.44Å; I354-L358 PolarHBondContact O-N 3.34Å; L358-R360 VanDerWaalsContact C-N 3.25Å; L358-R360 PolarHBondContact O-N 3.31Å; L358-F361 PolarHBondContact O-N 3.21Å; L358-V362 WeakPolarHBondContact O-CG2 3.44Å; L358-V362 PolarHBondContact O-N 2.89Å
359G72.7Confident78.1Confident43 Ų43113.3 Ų113.344%0.44360%0.604SS.*Hα-helixtrans-64.8-26.917500000113.7G355G355-G359 PolarHBondContact O-N 3.5Å
360R73Confident77.4Confident215 Ų215114.7 Ų114.781%0.81161%0.613SS**THydrogen-bonded Turntrans-85.6-10.1177.2-111.4-160.1163.8162.4-0.3115.5L356 F357 L358L356-R360 PolarHBondContact O-N 3.49Å; F357-R360 PolarHBondContact O-N 3.33Å; L358-R360 VanDerWaalsContact C-N 3.25Å; L358-R360 PolarHBondContact O-N 3.31Å
361F68.5Low77Confident176 Ų176118.2 Ų118.277%0.77263%0.628SS**THydrogen-bonded Turntrans-109.40.7178.3-85.3-84.6000113.2F357 L358F357-F361 WeakPolarHBondContact O-CD2 3.36Å; F357-F361 PolarHBondContact O-N 3.28Å; L358-F361 PolarHBondContact O-N 3.21Å
362V67.2Low76.3Confident124 Ų124123.1 Ų123.175%0.75264%0.639SS**  trans-115.4-3-179.41790000112.7L358L358-V362 WeakPolarHBondContact O-CG2 3.44Å; L358-V362 PolarHBondContact O-N 2.89Å
363L51.4Low75.3Confident215 Ų215124 Ų124100%1.12664%0.643SS**  trans-113.30162.2-95.3118.3000109

Retrieved 363 of 363 residues in 96.1 ms (Link to these results)

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