A0A3Q0KMC2_SCHMA Loading...

VWFA domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMC2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 912 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
1M43Very low48.1Very low165 Ų16593.7 Ų93.781%0.81350%0.499SS*.  0152.30-63.2-174.4-17100109.3R5M1-R5 PolarHBondContact SD-NH1 2.8Å; M1-R5 VanDerWaalsContact SD-NH1 3.37Å
2R50.5Low48.5Very low202 Ų20293.3 Ų93.376%0.76249%0.491SS*.  trans-72.4145.7176.7-69.2-177.6178.7166.4-0.4111.4S4 R5R2-S4 WeakPolarHBondContact CB-OG 3.39Å; R2-S4 PolarHBondContact O-N 3.02Å; R2-R5 PolarHBondContact O-N 3.3Å
3I55.1Low48.6Very low27 Ų2788 Ų8814%0.13847%0.466CS..G310 helixtrans-64.5-21.5174.8-61.2177.3000111.4R5 L6 A60 V61 A87I3-R5 PolarHBondContact O-N 3.45Å; I3-L6 HydrophobicContact CG2-CD1 4.12Å; I3-L6 WeakPolarHBondContact O-CB 3.47Å; I3-L6 PolarHBondContact O-N 3.19Å; I3-A60 HydrophobicContact CD1-CB 3.31Å; I3-V61 HydrophobicContact CG2-CG2 4.36Å; I3-A87 WeakPolarHBondContact CD1-O 3.33Å
4S51Low48.7Very low61 Ų6186 Ų8643%0.42747%0.469SS..G310 helixtrans-61.410.7168.972.30000115.7R2 C7R2-S4 WeakPolarHBondContact CB-OG 3.39Å; R2-S4 PolarHBondContact O-N 3.02Å; S4-C7 VanDerWaalsContact O-O 3.08Å
5R52.8Low49.3Very low163 Ų16391.9 Ų91.962%0.61548%0.481SS*.G310 helixtrans-103.7-11.4165.2-71-172.9174.2-176.9-5.1113.9M1 R2 I3 C7 Y89M1-R5 PolarHBondContact SD-NH1 2.8Å; M1-R5 VanDerWaalsContact SD-NH1 3.37Å; R2-R5 PolarHBondContact O-N 3.3Å; I3-R5 PolarHBondContact O-N 3.45Å; R5-C7 VanDerWaalsContact C-N 3.31Å; R5-Y89 HydrophobicContact CB-CD2 4.07Å; R5-Y89 HydrophobicContact CB-CE2 3.86Å
6L51.4Low49.9Very low32 Ų3287.2 Ų87.217%0.16846%0.456CS..THydrogen-bonded Turntrans-72.9-33.5162.3-89.2139.8000109.8I3 Y89 I92 Q93I3-L6 HydrophobicContact CG2-CD1 4.12Å; I3-L6 WeakPolarHBondContact O-CB 3.47Å; I3-L6 PolarHBondContact O-N 3.19Å; L6-Y89 HydrophobicContact CB-CD2 4.3Å; L6-Y89 HydrophobicContact CB-CE2 4.41Å; L6-Y89 HydrophobicContact CD1-CD2 3.66Å; L6-Y89 HydrophobicContact CD1-CE2 4.34Å; L6-Y89 HydrophobicContact CD1-CG 4.29Å; L6-Y89 HydrophobicContact CG-CD2 3.59Å; L6-Y89 HydrophobicContact CG-CE2 3.77Å; L6-I92 HydrophobicContact CD1-CB 4.23Å; L6-I92 HydrophobicContact CD1-CD1 4.36Å; L6-I92 HydrophobicContact CD1-CG2 4.01Å; L6-I92 HydrophobicContact CD2-CG2 4.19Å; L6-Q93 HydrophobicContact CD2-CG 4.38Å
7C46.3Very low50.5Low5 Ų585.1 Ų85.13%0.03445%0.451CS..SBendtrans-76117165.3-500000109.5S4 R5 S9 H12 C13S4-C7 VanDerWaalsContact O-O 3.08Å; R5-C7 VanDerWaalsContact C-N 3.31Å; C7-S9 WeakPolarHBondContact CB-O 3.09Å; C7-S9 PolarHBondContact O-N 3.45Å; C7-S9 VanDerWaalsContact O-N 3.11Å; C7-H12 HydrophobicContact CB-CB 4.08Å; C7-C13 HydrophobicContact CB-CB 3.8Å; C7-C13 WeakPolarHBondContact CB-SG 3.23Å; C7-C13 WeakPolarHBondContact SG-CA 3.34Å; C7-C13 WeakPolarHBondContact SG-CB 3.27Å; C7-C13 CovalentContact SG-SG 2.04Å; C7-C13 PolarHBondContact SG-SG 3.32Å
8S40.3Very low51.2Low117 Ų11786.7 Ų86.782%0.81847%0.465SS*.SBendtrans-67.3-8.2175.5-47.20000113.9
9S42.6Very low52Low59 Ų5988.6 Ų88.641%0.41347%0.465SS..SBendtrans-156.8157.5177.8167.60000109.4C7 N11 H12 C13C7-S9 WeakPolarHBondContact CB-O 3.09Å; C7-S9 PolarHBondContact O-N 3.45Å; C7-S9 VanDerWaalsContact O-N 3.11Å; S9-N11 PolarHBondContact O-N 3.18Å; S9-N11 PolarHBondContact OG-N 2.95Å; S9-H12 VanDerWaalsContact O-CB 3.31Å; S9-H12 WeakPolarHBondContact O-CB 3.46Å; S9-H12 PolarHBondContact O-N 2.89Å; S9-C13 PolarHBondContact O-N 3.4Å
10A48Very low53.1Low79 Ų7991.5 Ų91.565%0.65347%0.473SS*.Hα-helixtrans-54.6-38.8170.100000111.7H12 C13 A14A10-H12 PolarHBondContact O-N 3.18Å; A10-C13 WeakPolarHBondContact O-CB 3.27Å; A10-C13 PolarHBondContact O-N 3.27Å; A10-A14 PolarHBondContact O-N 3.47Å
11N48Very low54.6Low121 Ų12187.8 Ų87.865%0.64746%0.455SS*.Hα-helixtrans-62.4-31.3176.9-61.61.9000111.8S9 A14 R15S9-N11 PolarHBondContact O-N 3.18Å; S9-N11 PolarHBondContact OG-N 2.95Å; N11-A14 PolarHBondContact O-N 3.17Å; N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 2.71Å
12H53.3Low56.5Low88 Ų8880.3 Ų80.341%0.40742%0.418SS..Hα-helixtrans-71.8-33175.7-166.6-63.7000111.8C7 S9 A10 I16C7-H12 HydrophobicContact CB-CB 4.08Å; S9-H12 VanDerWaalsContact O-CB 3.31Å; S9-H12 WeakPolarHBondContact O-CB 3.46Å; S9-H12 PolarHBondContact O-N 2.89Å; A10-H12 PolarHBondContact O-N 3.18Å; H12-I16 WeakPolarHBondContact ND1-CD1 3.45Å; H12-I16 WeakPolarHBondContact O-CG1 3.34Å; H12-I16 PolarHBondContact O-N 2.6Å
13C49.4Very low58.2Low25 Ų2571 Ų7117%0.16938%0.383CS..Hα-helixtrans-69.5-40.9172.1-96.90000111.9C7 S9 A10 R15 I16 S17C7-C13 HydrophobicContact CB-CB 3.8Å; C7-C13 WeakPolarHBondContact CB-SG 3.23Å; C7-C13 WeakPolarHBondContact SG-CA 3.34Å; C7-C13 WeakPolarHBondContact SG-CB 3.27Å; C7-C13 CovalentContact SG-SG 2.04Å; C7-C13 PolarHBondContact SG-SG 3.32Å; S9-C13 PolarHBondContact O-N 3.4Å; A10-C13 WeakPolarHBondContact O-CB 3.27Å; A10-C13 PolarHBondContact O-N 3.27Å; C13-R15 PolarHBondContact O-N 3.33Å; C13-I16 PolarHBondContact O-N 2.64Å; C13-S17 PolarHBondContact O-N 2.91Å
14A50.1Low59.4Low60 Ų6071.6 Ų71.650%0.49640%0.395SS..Hα-helixtrans-58.9-45.8172.900000111.6A10 N11 I16 S17 T18A10-A14 PolarHBondContact O-N 3.47Å; N11-A14 PolarHBondContact O-N 3.17Å; A14-I16 VanDerWaalsContact C-N 3.33Å; A14-I16 PolarHBondContact O-N 3.1Å; A14-S17 WeakPolarHBondContact O-CB 3.49Å; A14-S17 PolarHBondContact O-N 2.94Å; A14-T18 PolarHBondContact O-N 3.12Å
15R57.4Low60.7Low174 Ų17473.1 Ų73.166%0.65740%0.399SS*.Hα-helixtrans-67.5-24.9176.5-68.7179.586.2-178.37.8114.3N11 C13 T18 R19N11-R15 WeakPolarHBondContact O-CG 3.37Å; N11-R15 PolarHBondContact O-N 2.71Å; C13-R15 PolarHBondContact O-N 3.33Å; R15-T18 PolarHBondContact O-OG1 3.35Å; R15-R19 WeakPolarHBondContact O-CG 3.36Å
16I59.7Low62.3Low17 Ų1765.9 Ų65.99%0.08737%0.373CS..Hα-helixtrans-72.5-43.3170-74.4164.7000110.4H12 C13 A14 T18 R19 C57 K58H12-I16 WeakPolarHBondContact ND1-CD1 3.45Å; H12-I16 WeakPolarHBondContact O-CG1 3.34Å; H12-I16 PolarHBondContact O-N 2.6Å; C13-I16 PolarHBondContact O-N 2.64Å; A14-I16 VanDerWaalsContact C-N 3.33Å; A14-I16 PolarHBondContact O-N 3.1Å; I16-T18 VanDerWaalsContact C-N 3.27Å; I16-T18 PolarHBondContact O-N 3.47Å; I16-R19 PolarHBondContact O-N 2.98Å; I16-C57 HydrophobicContact CG2-CB 4.15Å; I16-K58 HydrophobicContact CG2-CB 4.11Å
17S60.6Low63.9Low52 Ų5273.7 Ų73.736%0.36440%0.4SS..Hα-helixtrans-58.6-38.1-178.3-1670000112.6C13 A14 K58C13-S17 PolarHBondContact O-N 2.91Å; A14-S17 WeakPolarHBondContact O-CB 3.49Å; A14-S17 PolarHBondContact O-N 2.94Å; S17-K58 VanDerWaalsContact O-CE 3.25Å; S17-K58 WeakPolarHBondContact O-CE 3.46Å; S17-K58 PolarHBondContact O-NZ 3.23Å
18T62.5Low66Low114 Ų11474.3 Ų74.370%0.69940%0.402SS*.THydrogen-bonded Turntrans-80.8-13.9179.8560000115.1A14 R15 I16 K20A14-T18 PolarHBondContact O-N 3.12Å; R15-T18 PolarHBondContact O-OG1 3.35Å; I16-T18 VanDerWaalsContact C-N 3.27Å; I16-T18 PolarHBondContact O-N 3.47Å; T18-K20 PolarHBondContact O-N 3.2Å
19R66.8Low68.4Low122 Ų12270.2 Ų70.246%0.4637%0.373SS..  trans-67134.4179.2-81.4175.6-178.3-157.2-7.7111.9R15 I16 E54 K58R15-R19 WeakPolarHBondContact O-CG 3.36Å; I16-R19 PolarHBondContact O-N 2.98Å; R19-E54 WeakPolarHBondContact CD-OE1 3.32Å; R19-E54 IonicContact CZ-OE1 3.16Å; R19-E54 IonicContact NE-OE1 3.33Å; R19-E54 IonicContact NH1-OE1 2.78Å; R19-E54 PolarHBondContact NH1-OE1 3.34Å; R19-K58 PolarHBondContact O-NZ 3.21Å
20K72.7Confident70.8Confident147 Ų14769.3 Ų69.364%0.63936%0.361SS*.  trans-78.7140.3162.3-71.5-176.5176.9-179.20108.2T18 E204T18-K20 PolarHBondContact O-N 3.2Å; K20-E204 IonicContact NZ-OE1 3.3Å; K20-E204 PolarHBondContact NZ-OE1 2.97Å; K20-E204 IonicContact NZ-OE2 3.54Å; K20-E204 PolarHBondContact NZ-OE2 2.9Å
21T84.4Confident73Confident13 Ų1365.5 Ų65.58%0.0833%0.33CS..  trans-125.3154.6178.153.90000109F23 G24 E54 H55T21-F23 PolarHBondContact O-N 3.03Å; T21-G24 PolarHBondContact O-N 3.31Å; T21-E54 HydrophobicContact CG2-CB 4.09Å; T21-H55 HydrophobicContact CG2-CB 4.16Å; T21-H55 PolarHBondContact OG1-ND1 2.85Å
22I84.2Confident75.3Confident9 Ų959.8 Ų59.85%0.04630%0.299CS..THydrogen-bonded Turntrans-51.7-23.3-178.561.8176.8000115.3I48 H51 V129 T156 N187 I189 L200I22-I48 HydrophobicContact CD1-CG1 4.29Å; I22-I48 HydrophobicContact CD1-CG2 4.42Å; I22-H51 HydrophobicContact CD1-CB 4.32Å; I22-H51 HydrophobicContact CG1-CB 4.01Å; I22-V129 HydrophobicContact CD1-CG2 4.47Å; I22-T156 HydrophobicContact CB-CG2 4.35Å; I22-N187 PolarHBondContact O-ND2 3.34Å; I22-I189 HydrophobicContact CB-CD1 3.47Å; I22-I189 VanDerWaalsContact CB-CD1 3.47Å; I22-I189 HydrophobicContact CG2-CD1 3.51Å; I22-L200 HydrophobicContact CG2-CD1 3.84Å
23F86.7Confident77.4Confident7 Ų755.6 Ų55.63%0.03128%0.28CS..THydrogen-bonded Turntrans-79.9-9.1178.9-52.7-70.5000115.2T21 V26 F33 H51 I52 H55 L127 V129T21-F23 PolarHBondContact O-N 3.03Å; F23-V26 HydrophobicContact CB-CG2 4.26Å; F23-F33 HydrophobicContact CD1-CD1 4.32Å; F23-F33 HydrophobicContact CD1-CE1 4.07Å; F23-F33 HydrophobicContact CD2-CE1 4.13Å; F23-F33 AromaticContact CE1-CD1 3.72Å; F23-F33 HydrophobicContact CE1-CD1 3.72Å; F23-F33 AromaticContact CE1-CE1 3.8Å; F23-F33 HydrophobicContact CE1-CE1 3.8Å; F23-F33 HydrophobicContact CE2-CD1 4.42Å; F23-F33 AromaticContact CE2-CE1 3.89Å; F23-F33 HydrophobicContact CE2-CE1 3.89Å; F23-F33 HydrophobicContact CG-CE1 4.23Å; F23-F33 AromaticContact CZ-CD1 3.79Å; F23-F33 HydrophobicContact CZ-CD1 3.79Å; F23-F33 AromaticContact CZ-CE1 3.72Å; F23-F33 HydrophobicContact CZ-CE1 3.72Å; F23-H51 HydrophobicContact CE2-CB 4.21Å; F23-I52 HydrophobicContact CE2-CG1 3.84Å; F23-I52 HydrophobicContact CZ-CG1 3.57Å; F23-H55 HydrophobicContact CD2-CB 3.88Å; F23-H55 AromaticContact CD2-CG 3.82Å; F23-H55 HydrophobicContact CE2-CB 4.43Å; F23-L127 HydrophobicContact CB-CD2 3.98Å; F23-L127 HydrophobicContact CD1-CB 4.27Å; F23-L127 HydrophobicContact CD1-CD2 3.63Å; F23-L127 HydrophobicContact CE1-CD2 4.46Å; F23-L127 HydrophobicContact CG-CD2 4.01Å; F23-V129 HydrophobicContact CD1-CG2 4.43Å; F23-V129 HydrophobicContact CE1-CG2 3.53Å; F23-V129 HydrophobicContact CZ-CG2 4.17Å
24G78.4Confident79.6Confident38 Ų3854.4 Ų54.439%0.39227%0.272SS..  trans67.2-151.6-176.400000114.2T21 H55T21-G24 PolarHBondContact O-N 3.31Å; G24-H55 PolarHBondContact O-CE1 3.01Å
25D79.5Confident81.8Confident93 Ų9351.5 Ų51.550%0.49725%0.248SC..SBendtrans-80.6120.6170-179.933.2000110R27 R185D25-R27 IonicContact OD2-CZ 2.81Å; D25-R27 VanDerWaalsContact OD2-CZ 3.24Å; D25-R27 IonicContact OD2-NE 2.71Å; D25-R27 PolarHBondContact OD2-NE 2.6Å; D25-R27 IonicContact OD2-NH2 2.7Å; D25-R27 PolarHBondContact OD2-NH2 3.13Å; D25-R185 PolarHBondContact O-NH1 3.21Å; D25-R185 PolarHBondContact O-NH2 3.14Å
26V86.1Confident83.5Confident11 Ų1143.2 Ų43.27%0.06722%0.217CC..  trans-123.8128.7179.4176.30000107.2F23 I31 H55 M59 L127 Y154F23-V26 HydrophobicContact CB-CG2 4.26Å; V26-I31 HydrophobicContact CG1-CG2 4.26Å; V26-H55 WeakPolarHBondContact CB-NE2 3.38Å; V26-H55 WeakPolarHBondContact CG2-NE2 3.06Å; V26-M59 HydrophobicContact CB-CE 4.07Å; V26-M59 HydrophobicContact CB-SD 4.25Å; V26-M59 HydrophobicContact CG1-CE 3.69Å; V26-M59 HydrophobicContact CG1-SD 4.22Å; V26-L127 HydrophobicContact CG2-CD2 3.94Å; V26-Y154 HydrophobicContact CG1-CE2 4.19Å; V26-Y154 HydrophobicContact CG2-CD2 4.3Å; V26-Y154 HydrophobicContact CG2-CE2 4.44Å
27R85.1Confident85Confident196 Ų19642.5 Ų42.574%0.7421%0.213SC*.  trans-112.7-17.2-171-60.5-173.4-176.4-167-1113.4D25D25-R27 IonicContact OD2-CZ 2.81Å; D25-R27 VanDerWaalsContact OD2-CZ 3.24Å; D25-R27 IonicContact OD2-NE 2.71Å; D25-R27 PolarHBondContact OD2-NE 2.6Å; D25-R27 IonicContact OD2-NH2 2.7Å; D25-R27 PolarHBondContact OD2-NH2 3.13Å
28E90Very high86.2Confident19 Ų1940.3 Ų40.39%0.08920%0.198CC..  trans-64.7141.4176.2-71.469.1-149.800111.8I31 M59 E124 C125 Y154 K183E28-I31 HydrophobicContact CB-CG2 4Å; E28-I31 WeakPolarHBondContact O-CG2 3.3Å; E28-M59 WeakPolarHBondContact O-CE 3.39Å; E28-E124 HydrophobicContact CB-CB 3.91Å; E28-E124 HydrophobicContact CG-CB 3.78Å; E28-C125 HydrophobicContact CB-CB 4.41Å; E28-C125 HydrophobicContact CG-CB 4.01Å; E28-Y154 PolarHBondContact OE1-OH 2.94Å; E28-Y154 VanDerWaalsContact OE1-OH 3.1Å; E28-Y154 VanDerWaalsContact OE2-CE2 3.31Å; E28-Y154 WeakPolarHBondContact OE2-CE2 3.44Å; E28-Y154 PolarHBondContact OE2-OH 3.21Å; E28-K183 IonicContact OE1-NZ 3.71Å
29S91Very high86.8Confident30 Ų3037 Ų3721%0.2119%0.186CC..SBendtrans-93.4-14.7-179.9-57.80000113.7N63 L66 Y67 E124S29-N63 PolarHBondContact OG-ND2 3.25Å; S29-L66 CarbonylContact O-C 3.58Å; S29-L66 WeakPolarHBondContact O-CA 3.46Å; S29-Y67 PolarHBondContact O-N 2.85Å; S29-E124 WeakPolarHBondContact CA-OE2 3.41Å; S29-E124 PolarHBondContact N-OE2 3.4Å
30R93Very high87.4Confident40 Ų4034 Ų3415%0.15118%0.184CC..EExtended strand (participates in β ladder)trans-127.691.8-179.6-72.4-179.9-55.9-51.8-4.9110.2Y67 L84 D122 A123 E124 N427R30-Y67 WeakPolarHBondContact CA-O 3.06Å; R30-Y67 HydrophobicContact CG-CD2 4.41Å; R30-L84 HydrophobicContact CB-CD1 3.92Å; R30-L84 HydrophobicContact CG-CD1 4.26Å; R30-D122 WeakPolarHBondContact CB-O 3.18Å; R30-D122 VanDerWaalsContact CD-O 3.23Å; R30-D122 WeakPolarHBondContact CD-O 3.5Å; R30-D122 PolarHBondContact NE-O 2.63Å; R30-A123 CarbonylContact O-C 3.54Å; R30-A123 WeakPolarHBondContact O-CA 3.47Å; R30-E124 HydrophobicContact CB-CG 4.2Å; R30-E124 IonicContact CZ-OE1 2.69Å; R30-E124 IonicContact CZ-OE2 3.06Å; R30-E124 PolarHBondContact N-OE2 2.84Å; R30-E124 IonicContact NH1-OE1 3.3Å; R30-E124 PolarHBondContact NH1-OE1 3.23Å; R30-E124 IonicContact NH1-OE2 3.6Å; R30-E124 PolarHBondContact NH1-OE2 2.84Å; R30-E124 IonicContact NH2-OE1 2.63Å; R30-E124 PolarHBondContact NH2-OE1 2.84Å; R30-E124 PolarHBondContact O-N 2.88Å; R30-N427 PolarHBondContact NH2-ND2 3.12Å; R30-N427 PolarHBondContact NH2-OD1 2.97Å
31I95.1Very high88.1Confident0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-112.6140.4-165.367.4178.9000113V26 E28 F33 L56 M59 L66 Y67 F68 N69 L127V26-I31 HydrophobicContact CG1-CG2 4.26Å; E28-I31 HydrophobicContact CB-CG2 4Å; E28-I31 WeakPolarHBondContact O-CG2 3.3Å; I31-F33 HydrophobicContact CD1-CE2 3.5Å; I31-F33 VanDerWaalsContact CD1-CE2 3.5Å; I31-F33 HydrophobicContact CD1-CZ 3.66Å; I31-F33 HydrophobicContact CG1-CE2 3.9Å; I31-F33 HydrophobicContact CG1-CZ 4.49Å; I31-L56 HydrophobicContact CD1-CD2 4.18Å; I31-M59 HydrophobicContact CD1-CE 4.3Å; I31-M59 HydrophobicContact CD1-SD 3.83Å; I31-M59 HydrophobicContact CG2-CE 4.48Å; I31-L66 HydrophobicContact CD1-CD1 4.25Å; I31-L66 HydrophobicContact CG1-CD1 4.47Å; I31-Y67 PolarHBondContact N-O 2.81Å; I31-F68 HydrophobicContact CG1-CB 3.88Å; I31-F68 CarbonylContact O-C 3.25Å; I31-F68 WeakPolarHBondContact O-CA 3.35Å; I31-N69 PolarHBondContact O-N 2.67Å; I31-L127 HydrophobicContact CB-CD1 3.83Å; I31-L127 HydrophobicContact CG2-CD1 4.38Å
32V96.4Very high88Confident0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-117.1118170.7-179.70000109.8I71 L84 H120 A123 C125 V126 L127V32-I71 HydrophobicContact CG1-CD1 4.18Å; V32-I71 HydrophobicContact CG1-CG1 4.14Å; V32-L84 HydrophobicContact CG2-CD2 3.78Å; V32-H120 HydrophobicContact CG2-CB 4.17Å; V32-A123 HydrophobicContact CG2-CB 3.69Å; V32-C125 PolarHBondContact N-O 3.3Å; V32-V126 HydrophobicContact CB-CG2 4.47Å; V32-V126 CarbonylContact O-C 3.58Å; V32-V126 WeakPolarHBondContact O-CA 3.33Å; V32-L127 PolarHBondContact O-N 3.11Å
33F97.3Very high87.8Confident0 Ų038.9 Ų38.90%020%0.201CC..EExtended strand (participates in β ladder)trans-81131.7168.6-61.9-94.5000109.1F23 I31 I35 I52 L56 F68 N69 V70 I71 L127F23-F33 HydrophobicContact CD1-CD1 4.32Å; F23-F33 HydrophobicContact CD1-CE1 4.07Å; F23-F33 HydrophobicContact CD2-CE1 4.13Å; F23-F33 AromaticContact CE1-CD1 3.72Å; F23-F33 HydrophobicContact CE1-CD1 3.72Å; F23-F33 AromaticContact CE1-CE1 3.8Å; F23-F33 HydrophobicContact CE1-CE1 3.8Å; F23-F33 HydrophobicContact CE2-CD1 4.42Å; F23-F33 AromaticContact CE2-CE1 3.89Å; F23-F33 HydrophobicContact CE2-CE1 3.89Å; F23-F33 HydrophobicContact CG-CE1 4.23Å; F23-F33 AromaticContact CZ-CD1 3.79Å; F23-F33 HydrophobicContact CZ-CD1 3.79Å; F23-F33 AromaticContact CZ-CE1 3.72Å; F23-F33 HydrophobicContact CZ-CE1 3.72Å; I31-F33 HydrophobicContact CD1-CE2 3.5Å; I31-F33 VanDerWaalsContact CD1-CE2 3.5Å; I31-F33 HydrophobicContact CD1-CZ 3.66Å; I31-F33 HydrophobicContact CG1-CE2 3.9Å; I31-F33 HydrophobicContact CG1-CZ 4.49Å; F33-I35 HydrophobicContact CB-CD1 4.07Å; F33-I35 HydrophobicContact CB-CG1 4.17Å; F33-I35 HydrophobicContact CD1-CD1 4.49Å; F33-I52 HydrophobicContact CD1-CG1 4.25Å; F33-I52 HydrophobicContact CE1-CG1 4.42Å; F33-I52 HydrophobicContact CE1-CG2 4.49Å; F33-I52 HydrophobicContact CZ-CG2 4.48Å; F33-L56 HydrophobicContact CE2-CD1 4.32Å; F33-L56 HydrophobicContact CE2-CD2 3.95Å; F33-L56 HydrophobicContact CE2-CG 4.08Å; F33-L56 HydrophobicContact CZ-CD2 4.37Å; F33-L56 HydrophobicContact CZ-CG 4.23Å; F33-F68 HydrophobicContact CE2-CB 4.46Å; F33-N69 PolarHBondContact N-O 2.86Å; F33-V70 HydrophobicContact CB-CB 4.4Å; F33-V70 HydrophobicContact CB-CG1 4.13Å; F33-V70 HydrophobicContact CB-CG2 4.08Å; F33-V70 HydrophobicContact CD2-CG2 3.96Å; F33-V70 HydrophobicContact CG-CG2 4.32Å; F33-I71 PolarHBondContact O-N 3.48Å; F33-L127 HydrophobicContact CD1-CB 4.22Å; F33-L127 HydrophobicContact CD1-CD2 4.42Å; F33-L127 HydrophobicContact CE1-CD2 4.08Å
34C95.4Very high87.7Confident0 Ų038.6 Ų38.60%020%0.2CC..EExtended strand (participates in β ladder)trans-121.1103.4174.2-168.60000107.3I71 S117 V126 L127 L128 V129C34-I71 CarbonylContact C-O 3.56Å; C34-I71 WeakPolarHBondContact CA-O 3.38Å; C34-S117 WeakPolarHBondContact CB-OG 3.48Å; C34-S117 PolarHBondContact SG-OG 3.09Å; C34-S117 VanDerWaalsContact SG-OG 3.34Å; C34-V126 HydrophobicContact CB-CG1 4.03Å; C34-L127 PolarHBondContact N-O 3.48Å; C34-L128 HydrophobicContact CB-CD1 4.27Å; C34-L128 CarbonylContact O-C 3.24Å; C34-L128 VanDerWaalsContact O-CA 3.28Å; C34-L128 WeakPolarHBondContact O-CA 3.4Å; C34-V129 PolarHBondContact O-N 3.13Å
35I95.6Very high88.2Confident0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-116.8123-168.2-47-63.8000109.6F33 W45 I48 I52 V70 I71 T72 F73 V129F33-I35 HydrophobicContact CB-CD1 4.07Å; F33-I35 HydrophobicContact CB-CG1 4.17Å; F33-I35 HydrophobicContact CD1-CD1 4.49Å; I35-W45 HydrophobicContact CG2-CH2 4.37Å; I35-W45 HydrophobicContact CG2-CZ3 3.64Å; I35-I48 HydrophobicContact CG2-CG2 3.9Å; I35-I52 HydrophobicContact CD1-CD1 3.93Å; I35-I52 HydrophobicContact CG1-CD1 3.87Å; I35-V70 HydrophobicContact CG1-CG1 4.3Å; I35-I71 PolarHBondContact N-O 2.84Å; I35-T72 HydrophobicContact CB-CG2 4.49Å; I35-T72 CarbonylContact O-C 3.56Å; I35-T72 WeakPolarHBondContact O-CA 3.43Å; I35-F73 VanDerWaalsContact C-CE1 3.49Å; I35-F73 WeakPolarHBondContact O-CD1 3.4Å; I35-F73 PolarHBondContact O-N 3.42Å; I35-V129 HydrophobicContact CD1-CB 3.81Å; I35-V129 HydrophobicContact CD1-CG2 3.53Å; I35-V129 HydrophobicContact CG2-CB 4.46Å
36D93.4Very high88.4Confident0 Ų038.9 Ų38.90%019%0.192CC..EExtended strand (participates in β ladder)trans-67.7135.3175.3-175.1-32.2000110.7S38 I41 F73 S108 V129 T130D36-S38 WeakPolarHBondContact OD1-CB 3.48Å; D36-S38 PolarHBondContact OD1-N 2.83Å; D36-S38 PolarHBondContact OD1-OG 2.87Å; D36-I41 HydrophobicContact CB-CD1 3.35Å; D36-F73 CarbonylContact C-O 3.52Å; D36-F73 WeakPolarHBondContact CA-O 3.41Å; D36-F73 HydrophobicContact CB-CE1 3.85Å; D36-F73 HydrophobicContact CB-CE2 3.96Å; D36-F73 HydrophobicContact CB-CZ 3.51Å; D36-F73 VanDerWaalsContact N-CE1 3.31Å; D36-S108 VanDerWaalsContact CG-OG 3.25Å; D36-S108 WeakPolarHBondContact OD2-CB 3.5Å; D36-S108 PolarHBondContact OD2-OG 3.37Å; D36-V129 VanDerWaalsContact CB-O 3.27Å; D36-V129 WeakPolarHBondContact CB-O 3.42Å; D36-V129 PolarHBondContact N-O 3.24Å; D36-T130 WeakPolarHBondContact OD2-CB 3.44Å; D36-T130 PolarHBondContact OD2-OG1 2.83Å
37T91.5Very high88.4Confident1 Ų141.6 Ų41.61%0.00620%0.204CC..  trans-124.723.6-179.5520000112.4W45 T72 F73 D74 V102 F104 G105T37-W45 HydrophobicContact CG2-CE3 4.27Å; T37-W45 HydrophobicContact CG2-CH2 3.62Å; T37-W45 HydrophobicContact CG2-CZ3 3.45Å; T37-W45 VanDerWaalsContact CG2-CZ3 3.45Å; T37-T72 HydrophobicContact CG2-CG2 3.9Å; T37-F73 PolarHBondContact N-O 2.93Å; T37-F73 VanDerWaalsContact OG1-C 3.28Å; T37-F73 PolarHBondContact OG1-O 2.83Å; T37-D74 PolarHBondContact OG1-OD2 2.63Å; T37-V102 HydrophobicContact CG2-CG1 3.59Å; T37-F104 CarbonylContact O-C 3.44Å; T37-F104 WeakPolarHBondContact O-CA 3.15Å; T37-F104 VanDerWaalsContact O-CB 3.3Å; T37-F104 WeakPolarHBondContact O-CB 3.35Å; T37-F104 WeakPolarHBondContact O-CD1 3.22Å; T37-G105 PolarHBondContact O-N 3.29Å; T37-G105 VanDerWaalsContact O-N 3.11Å
38S85Confident88.6Confident6 Ų632.3 Ų32.34%0.04217%0.169CC..BIsolated β-bridgetrans-65.1157.1168.364.20000112.1D36 S40 I41 S107D36-S38 WeakPolarHBondContact OD1-CB 3.48Å; D36-S38 PolarHBondContact OD1-N 2.83Å; D36-S38 PolarHBondContact OD1-OG 2.87Å; S38-S40 PolarHBondContact O-N 2.92Å; S38-S40 PolarHBondContact OG-OG 3.03Å; S38-I41 PolarHBondContact O-N 2.83Å; S38-I41 VanDerWaalsContact O-N 3.14Å; S38-S107 VanDerWaalsContact CB-O 3.25Å; S38-S107 WeakPolarHBondContact CB-O 3.21Å
39G75.9Confident88.7Confident45 Ų4531.8 Ų31.846%0.46417%0.167SC..THydrogen-bonded Turntrans-61.5-14.3-173.300000116.5G105G39-G105 PolarHBondContact N-O 3.27Å
40S79.6Confident88.5Confident60 Ų6033.4 Ų33.442%0.4218%0.176SC..THydrogen-bonded Turntrans-71.5-38.4174.448.30000112.2S38 Y42 D131S38-S40 PolarHBondContact O-N 2.92Å; S38-S40 PolarHBondContact OG-OG 3.03Å; S40-Y42 VanDerWaalsContact C-N 3.28Å; S40-Y42 PolarHBondContact O-N 3.23Å; S40-D131 WeakPolarHBondContact CB-OD2 2.98Å; S40-D131 PolarHBondContact OG-OD1 3.24Å; S40-D131 PolarHBondContact OG-OD2 2.84Å
41I87Confident88.3Confident0 Ų032.5 Ų32.50%017%0.173CC..G310 helixtrans-75.3-14.8-176.8-67.9179.6000113.1D36 S38 K43 V44 W45 I48 D131D36-I41 HydrophobicContact CB-CD1 3.35Å; S38-I41 PolarHBondContact O-N 2.83Å; S38-I41 VanDerWaalsContact O-N 3.14Å; I41-K43 PolarHBondContact O-N 3.01Å; I41-V44 HydrophobicContact CB-CG2 4.46Å; I41-V44 HydrophobicContact CG2-CG2 3.89Å; I41-V44 VanDerWaalsContact O-CG2 3.23Å; I41-V44 WeakPolarHBondContact O-CG2 3.44Å; I41-V44 PolarHBondContact O-N 2.68Å; I41-W45 HydrophobicContact CG2-CE3 4.41Å; I41-W45 PolarHBondContact O-N 2.74Å; I41-W45 VanDerWaalsContact O-N 3.14Å; I41-I48 HydrophobicContact CG2-CD1 3.67Å; I41-D131 HydrophobicContact CD1-CB 4.39Å; I41-D131 HydrophobicContact CG1-CB 4.01Å; I41-D131 WeakPolarHBondContact CG1-OD1 3.46Å
42Y81.6Confident88.2Confident127 Ų12732.5 Ų32.550%0.49817%0.173SC..G310 helixtrans-42.8-43.5177.3174.7-97.7000113.6S40 V44 W45 F104S40-Y42 VanDerWaalsContact C-N 3.28Å; S40-Y42 PolarHBondContact O-N 3.23Å; Y42-V44 VanDerWaalsContact C-N 3.29Å; Y42-V44 PolarHBondContact O-N 2.83Å; Y42-W45 PolarHBondContact O-N 2.79Å; Y42-F104 AromaticContact CD2-CD2 3.79Å; Y42-F104 HydrophobicContact CD2-CD2 3.79Å; Y42-F104 HydrophobicContact CD2-CE1 4.45Å; Y42-F104 AromaticContact CD2-CE2 3.57Å; Y42-F104 HydrophobicContact CD2-CE2 3.57Å; Y42-F104 HydrophobicContact CD2-CG 4.35Å; Y42-F104 AromaticContact CD2-CZ 3.92Å; Y42-F104 HydrophobicContact CD2-CZ 3.92Å; Y42-F104 HydrophobicContact CE2-CE2 4.2Å
43K79.8Confident88Confident143 Ų14333.5 Ų33.562%0.62218%0.179SC*.G310 helixtrans-62.3-31.8-178.6-64.1-175.7-179.4-177.90113.9I41I41-K43 PolarHBondContact O-N 3.01Å
44V85.2Confident87.5Confident2 Ų234.5 Ų34.51%0.01218%0.184CC..G310 helixtrans-106.7-2.8-173.1-58.50000113.3I41 Y42 D46 Q47 I48 L158 I191 V198 L200I41-V44 HydrophobicContact CB-CG2 4.46Å; I41-V44 HydrophobicContact CG2-CG2 3.89Å; I41-V44 VanDerWaalsContact O-CG2 3.23Å; I41-V44 WeakPolarHBondContact O-CG2 3.44Å; I41-V44 PolarHBondContact O-N 2.68Å; Y42-V44 VanDerWaalsContact C-N 3.29Å; Y42-V44 PolarHBondContact O-N 2.83Å; V44-D46 PolarHBondContact O-N 2.89Å; V44-Q47 WeakPolarHBondContact O-CB 3.42Å; V44-Q47 PolarHBondContact O-N 3.41Å; V44-Q47 VanDerWaalsContact O-N 3.13Å; V44-I48 HydrophobicContact CG2-CD1 3.75Å; V44-I48 HydrophobicContact CG2-CG1 4.39Å; V44-I48 PolarHBondContact O-N 3.3Å; V44-L158 HydrophobicContact CG2-CD1 4.01Å; V44-I191 HydrophobicContact CG1-CB 4.43Å; V44-I191 HydrophobicContact CG1-CD1 3.73Å; V44-I191 HydrophobicContact CG1-CG1 4Å; V44-I191 HydrophobicContact CG1-CG2 3.55Å; V44-V198 HydrophobicContact CB-CG1 4.4Å; V44-V198 HydrophobicContact CG1-CG1 3.81Å; V44-L200 HydrophobicContact CG1-CD2 4.27Å
45W89.3Confident87.2Confident13 Ų1334.7 Ų34.75%0.04919%0.185CC..Hα-helixtrans-56.8-46.2-170.6177.9-107.2000114.7I35 T37 I41 Y42 Q47 I48 C49 T72 L99 V102 F104I35-W45 HydrophobicContact CG2-CH2 4.37Å; I35-W45 HydrophobicContact CG2-CZ3 3.64Å; T37-W45 HydrophobicContact CG2-CE3 4.27Å; T37-W45 HydrophobicContact CG2-CH2 3.62Å; T37-W45 HydrophobicContact CG2-CZ3 3.45Å; T37-W45 VanDerWaalsContact CG2-CZ3 3.45Å; I41-W45 HydrophobicContact CG2-CE3 4.41Å; I41-W45 PolarHBondContact O-N 2.74Å; I41-W45 VanDerWaalsContact O-N 3.14Å; Y42-W45 PolarHBondContact O-N 2.79Å; W45-Q47 PolarHBondContact O-N 2.92Å; W45-I48 PolarHBondContact O-N 2.88Å; W45-I48 VanDerWaalsContact O-N 3.16Å; W45-C49 VanDerWaalsContact CZ2-SG 3.52Å; W45-C49 PolarHBondContact NE1-SG 2.76Å; W45-C49 WeakPolarHBondContact O-CB 3.23Å; W45-C49 PolarHBondContact O-N 2.69Å; W45-C49 PolarHBondContact O-SG 2.96Å; W45-T72 HydrophobicContact CH2-CG2 3.91Å; W45-L99 HydrophobicContact CH2-CD2 4.03Å; W45-L99 HydrophobicContact CZ2-CB 4.46Å; W45-L99 HydrophobicContact CZ2-CD2 3.91Å; W45-L99 PolarHBondContact NE1-O 3.37Å; W45-V102 HydrophobicContact CH2-CB 4.33Å; W45-V102 HydrophobicContact CH2-CG1 3.97Å; W45-V102 HydrophobicContact CH2-CG2 4.27Å; W45-V102 HydrophobicContact CZ2-CB 3.68Å; W45-V102 HydrophobicContact CZ2-CG1 3.73Å; W45-V102 HydrophobicContact CZ2-CG2 3.8Å; W45-F104 HydrophobicContact CB-CE1 3.94Å; W45-F104 HydrophobicContact CB-CZ 3.63Å; W45-F104 AromaticContact CD1-CZ 3.73Å; W45-F104 AromaticContact CD2-CE1 3.96Å; W45-F104 HydrophobicContact CD2-CE1 3.96Å; W45-F104 AromaticContact CD2-CZ 3.76Å; W45-F104 HydrophobicContact CD2-CZ 3.76Å; W45-F104 HydrophobicContact CE3-CE1 4.09Å; W45-F104 HydrophobicContact CE3-CZ 4.35Å; W45-F104 AromaticContact CG-CE1 3.92Å; W45-F104 HydrophobicContact CG-CE1 3.92Å; W45-F104 AromaticContact CG-CZ 3.41Å; W45-F104 HydrophobicContact CG-CZ 3.41Å; W45-F104 VanDerWaalsContact CG-CZ 3.41Å
46D83.7Confident87.1Confident123 Ų12334.7 Ų34.766%0.65819%0.185SC*.Hα-helixtrans-64-31.4-178.8-76.7-22.3000111.9V44 T50V44-D46 PolarHBondContact O-N 2.89Å; D46-T50 WeakPolarHBondContact O-CB 3.4Å; D46-T50 PolarHBondContact O-N 2.77Å; D46-T50 PolarHBondContact O-OG1 3.32Å
47Q84.8Confident86.8Confident69 Ų6935 Ų3532%0.32219%0.187SC..Hα-helixtrans-74.2-39.8174.9-168.260.925.100111.6V44 W45 T50 H51 L200V44-Q47 WeakPolarHBondContact O-CB 3.42Å; V44-Q47 PolarHBondContact O-N 3.41Å; V44-Q47 VanDerWaalsContact O-N 3.13Å; W45-Q47 PolarHBondContact O-N 2.92Å; Q47-T50 PolarHBondContact O-N 3.45Å; Q47-H51 PolarHBondContact NE2-CE1 2.85Å; Q47-H51 PolarHBondContact NE2-NE2 2.9Å; Q47-H51 PolarHBondContact O-CD2 2.95Å; Q47-H51 PolarHBondContact O-N 2.96Å; Q47-L200 HydrophobicContact CB-CD1 4.18Å; Q47-L200 HydrophobicContact CG-CD1 3.54Å; Q47-L200 HydrophobicContact CG-CG 3.95Å
48I90.5Very high86.6Confident0 Ų037.6 Ų37.60%020%0.198CC..Hα-helixtrans-59.9-48.8171.3-64.5170.8000110.2I22 I35 I41 V44 W45 T50 H51 I52 V129 L158I22-I48 HydrophobicContact CD1-CG1 4.29Å; I22-I48 HydrophobicContact CD1-CG2 4.42Å; I35-I48 HydrophobicContact CG2-CG2 3.9Å; I41-I48 HydrophobicContact CG2-CD1 3.67Å; V44-I48 HydrophobicContact CG2-CD1 3.75Å; V44-I48 HydrophobicContact CG2-CG1 4.39Å; V44-I48 PolarHBondContact O-N 3.3Å; W45-I48 PolarHBondContact O-N 2.88Å; W45-I48 VanDerWaalsContact O-N 3.16Å; I48-T50 VanDerWaalsContact C-N 3.34Å; I48-T50 PolarHBondContact O-N 3.13Å; I48-H51 PolarHBondContact O-N 2.95Å; I48-I52 HydrophobicContact CG2-CD1 3.85Å; I48-I52 HydrophobicContact CG2-CG1 4.41Å; I48-I52 WeakPolarHBondContact O-CG1 3.45Å; I48-I52 PolarHBondContact O-N 2.87Å; I48-V129 HydrophobicContact CD1-CG1 4.13Å; I48-L158 HydrophobicContact CD1-CD1 3.74Å; I48-L158 HydrophobicContact CG1-CD1 4.34Å
49C91.1Very high86.7Confident9 Ų938.2 Ų38.26%0.06120%0.201CC..Hα-helixtrans-59.1-44.2178.3-70.80000112.3W45 I52 V53 L99W45-C49 VanDerWaalsContact CZ2-SG 3.52Å; W45-C49 PolarHBondContact NE1-SG 2.76Å; W45-C49 WeakPolarHBondContact O-CB 3.23Å; W45-C49 PolarHBondContact O-N 2.69Å; W45-C49 PolarHBondContact O-SG 2.96Å; C49-I52 PolarHBondContact O-N 3.06Å; C49-V53 WeakPolarHBondContact O-CG2 3.26Å; C49-V53 PolarHBondContact O-N 3.09Å; C49-V53 VanDerWaalsContact O-N 3.13Å; C49-L99 HydrophobicContact CB-CD1 4.28Å
50T86.7Confident87.3Confident64 Ų6436.4 Ų36.439%0.39318%0.181SC..Hα-helixtrans-59.3-49.3175.5-62.30000110.4D46 Q47 I48 I52 V53 E54D46-T50 WeakPolarHBondContact O-CB 3.4Å; D46-T50 PolarHBondContact O-N 2.77Å; D46-T50 PolarHBondContact O-OG1 3.32Å; Q47-T50 PolarHBondContact O-N 3.45Å; I48-T50 VanDerWaalsContact C-N 3.34Å; I48-T50 PolarHBondContact O-N 3.13Å; T50-I52 PolarHBondContact O-N 3.49Å; T50-V53 PolarHBondContact O-N 3.49Å; T50-E54 HydrophobicContact CG2-CG 4.36Å; T50-E54 WeakPolarHBondContact O-CB 3.4Å; T50-E54 WeakPolarHBondContact O-CG 3.16Å; T50-E54 PolarHBondContact O-N 2.79Å
51H89.6Confident87.5Confident20 Ų2037 Ų379%0.09318%0.182CC..Hα-helixtrans-65-34.1178.3-73.7-48.3000114.2I22 F23 Q47 I48 E54 H55I22-H51 HydrophobicContact CD1-CB 4.32Å; I22-H51 HydrophobicContact CG1-CB 4.01Å; F23-H51 HydrophobicContact CE2-CB 4.21Å; Q47-H51 PolarHBondContact NE2-CE1 2.85Å; Q47-H51 PolarHBondContact NE2-NE2 2.9Å; Q47-H51 PolarHBondContact O-CD2 2.95Å; Q47-H51 PolarHBondContact O-N 2.96Å; I48-H51 PolarHBondContact O-N 2.95Å; H51-E54 IonicContact ND1-OE2 2.64Å; H51-E54 PolarHBondContact ND1-OE2 2.77Å; H51-H55 WeakPolarHBondContact O-CB 3.36Å; H51-H55 PolarHBondContact O-N 2.93Å
52I92.8Very high87.3Confident0 Ų042.8 Ų42.80%021%0.213CC..Hα-helixtrans-61.9-47.4174.1-68.5164.5000110.1F23 F33 I35 I48 C49 T50 H55 L56 L95 L99F23-I52 HydrophobicContact CE2-CG1 3.84Å; F23-I52 HydrophobicContact CZ-CG1 3.57Å; F33-I52 HydrophobicContact CD1-CG1 4.25Å; F33-I52 HydrophobicContact CE1-CG1 4.42Å; F33-I52 HydrophobicContact CE1-CG2 4.49Å; F33-I52 HydrophobicContact CZ-CG2 4.48Å; I35-I52 HydrophobicContact CD1-CD1 3.93Å; I35-I52 HydrophobicContact CG1-CD1 3.87Å; I48-I52 HydrophobicContact CG2-CD1 3.85Å; I48-I52 HydrophobicContact CG2-CG1 4.41Å; I48-I52 WeakPolarHBondContact O-CG1 3.45Å; I48-I52 PolarHBondContact O-N 2.87Å; C49-I52 PolarHBondContact O-N 3.06Å; T50-I52 PolarHBondContact O-N 3.49Å; I52-H55 PolarHBondContact O-N 3.28Å; I52-L56 HydrophobicContact CG2-CD1 4.07Å; I52-L56 WeakPolarHBondContact O-CB 3.13Å; I52-L56 WeakPolarHBondContact O-CG 3.35Å; I52-L56 PolarHBondContact O-N 2.69Å; I52-L95 HydrophobicContact CG2-CD2 3.87Å; I52-L99 HydrophobicContact CG2-CD1 4.42Å
53V91.5Very high87.4Confident21 Ų2138.9 Ų38.913%0.12720%0.201CC..Hα-helixtrans-66.5-43179.7174.10000111.2C49 T50 C57 I92 N96C49-V53 WeakPolarHBondContact O-CG2 3.26Å; C49-V53 PolarHBondContact O-N 3.09Å; C49-V53 VanDerWaalsContact O-N 3.13Å; T50-V53 PolarHBondContact O-N 3.49Å; V53-C57 WeakPolarHBondContact O-CB 3.41Å; V53-C57 PolarHBondContact O-N 3.3Å; V53-C57 PolarHBondContact O-SG 2.94Å; V53-I92 HydrophobicContact CG1-CG2 4Å; V53-N96 HydrophobicContact CG2-CB 4.11Å
54E87.4Confident87.3Confident22 Ų2241.2 Ų41.210%0.10321%0.211CC..Hα-helixtrans-62-45.8175.2-73.9-172.714200112.5R19 T21 T50 H51 C57 K58R19-E54 WeakPolarHBondContact CD-OE1 3.32Å; R19-E54 IonicContact CZ-OE1 3.16Å; R19-E54 IonicContact NE-OE1 3.33Å; R19-E54 IonicContact NH1-OE1 2.78Å; R19-E54 PolarHBondContact NH1-OE1 3.34Å; T21-E54 HydrophobicContact CG2-CB 4.09Å; T50-E54 HydrophobicContact CG2-CG 4.36Å; T50-E54 WeakPolarHBondContact O-CB 3.4Å; T50-E54 WeakPolarHBondContact O-CG 3.16Å; T50-E54 PolarHBondContact O-N 2.79Å; H51-E54 IonicContact ND1-OE2 2.64Å; H51-E54 PolarHBondContact ND1-OE2 2.77Å; E54-C57 PolarHBondContact O-N 2.9Å; E54-K58 VanDerWaalsContact O-CB 3.31Å; E54-K58 WeakPolarHBondContact O-CB 3.18Å; E54-K58 PolarHBondContact O-N 3Å
55H90Very high87.4Confident4 Ų443.8 Ų43.82%0.01923%0.232CC..Hα-helixtrans-64-45.9-178.8-167.281.9000111.1T21 F23 G24 V26 H51 I52 C57 K58 M59T21-H55 HydrophobicContact CG2-CB 4.16Å; T21-H55 PolarHBondContact OG1-ND1 2.85Å; F23-H55 HydrophobicContact CD2-CB 3.88Å; F23-H55 AromaticContact CD2-CG 3.82Å; F23-H55 HydrophobicContact CE2-CB 4.43Å; G24-H55 PolarHBondContact O-CE1 3.01Å; V26-H55 WeakPolarHBondContact CB-NE2 3.38Å; V26-H55 WeakPolarHBondContact CG2-NE2 3.06Å; H51-H55 WeakPolarHBondContact O-CB 3.36Å; H51-H55 PolarHBondContact O-N 2.93Å; I52-H55 PolarHBondContact O-N 3.28Å; H55-C57 PolarHBondContact O-N 3.49Å; H55-K58 PolarHBondContact O-N 2.86Å; H55-M59 PolarHBondContact CD2-SD 2.89Å; H55-M59 PolarHBondContact NE2-SD 2.86Å; H55-M59 WeakPolarHBondContact O-CB 3.01Å; H55-M59 WeakPolarHBondContact O-CG 3.1Å; H55-M59 PolarHBondContact O-N 3.24Å
56L92.1Very high87.5Confident0 Ų043.2 Ų43.20%023%0.23CC..Hα-helixtrans-60-42.7173.1-77.7171.6000112.3I31 F33 I52 A60 L66 F68 I92 L95I31-L56 HydrophobicContact CD1-CD2 4.18Å; F33-L56 HydrophobicContact CE2-CD1 4.32Å; F33-L56 HydrophobicContact CE2-CD2 3.95Å; F33-L56 HydrophobicContact CE2-CG 4.08Å; F33-L56 HydrophobicContact CZ-CD2 4.37Å; F33-L56 HydrophobicContact CZ-CG 4.23Å; I52-L56 HydrophobicContact CG2-CD1 4.07Å; I52-L56 WeakPolarHBondContact O-CB 3.13Å; I52-L56 WeakPolarHBondContact O-CG 3.35Å; I52-L56 PolarHBondContact O-N 2.69Å; L56-A60 WeakPolarHBondContact O-CB 3.48Å; L56-A60 PolarHBondContact O-N 2.94Å; L56-L66 HydrophobicContact CD2-CD2 4.08Å; L56-F68 HydrophobicContact CD1-CD1 4.39Å; L56-F68 HydrophobicContact CD1-CD2 3.89Å; L56-F68 HydrophobicContact CD1-CE1 4.5Å; L56-F68 HydrophobicContact CD1-CE2 4.03Å; L56-F68 HydrophobicContact CD1-CG 4.09Å; L56-F68 HydrophobicContact CD1-CZ 4.32Å; L56-F68 HydrophobicContact CD2-CB 3.69Å; L56-F68 HydrophobicContact CD2-CD1 3.9Å; L56-F68 HydrophobicContact CD2-CD2 4.28Å; L56-F68 HydrophobicContact CD2-CG 3.68Å; L56-I92 HydrophobicContact CB-CD1 4.24Å; L56-I92 HydrophobicContact CB-CG1 4.4Å; L56-L95 HydrophobicContact CD1-CD2 3.52Å
57C88.9Confident88.1Confident5 Ų541.6 Ų41.63%0.03422%0.216CC..Hα-helixtrans-63.5-44.8176.1-69.50000112I16 V53 E54 H55 V61I16-C57 HydrophobicContact CG2-CB 4.15Å; V53-C57 WeakPolarHBondContact O-CB 3.41Å; V53-C57 PolarHBondContact O-N 3.3Å; V53-C57 PolarHBondContact O-SG 2.94Å; E54-C57 PolarHBondContact O-N 2.9Å; H55-C57 PolarHBondContact O-N 3.49Å; C57-V61 VanDerWaalsContact O-CG2 3.3Å; C57-V61 WeakPolarHBondContact O-CG2 3.5Å; C57-V61 PolarHBondContact O-N 2.83Å; C57-V61 VanDerWaalsContact O-N 3.1Å
58K85.9Confident88.6Confident57 Ų5738.3 Ų38.325%0.24820%0.2CC..Hα-helixtrans-62.3-50.2179172.1166.4170153.90111.8I16 S17 R19 E54 H55I16-K58 HydrophobicContact CG2-CB 4.11Å; S17-K58 VanDerWaalsContact O-CE 3.25Å; S17-K58 WeakPolarHBondContact O-CE 3.46Å; S17-K58 PolarHBondContact O-NZ 3.23Å; R19-K58 PolarHBondContact O-NZ 3.21Å; E54-K58 VanDerWaalsContact O-CB 3.31Å; E54-K58 WeakPolarHBondContact O-CB 3.18Å; E54-K58 PolarHBondContact O-N 3Å; H55-K58 PolarHBondContact O-N 2.86Å
59M88.4Confident88.9Confident19 Ų1938.3 Ų38.39%0.09420%0.2CC..Hα-helixtrans-63.4-44.8177.4-69.1-178.781.500111.8V26 E28 I31 H55 V61 N62 N63 L66V26-M59 HydrophobicContact CB-CE 4.07Å; V26-M59 HydrophobicContact CB-SD 4.25Å; V26-M59 HydrophobicContact CG1-CE 3.69Å; V26-M59 HydrophobicContact CG1-SD 4.22Å; E28-M59 WeakPolarHBondContact O-CE 3.39Å; I31-M59 HydrophobicContact CD1-CE 4.3Å; I31-M59 HydrophobicContact CD1-SD 3.83Å; I31-M59 HydrophobicContact CG2-CE 4.48Å; H55-M59 PolarHBondContact CD2-SD 2.89Å; H55-M59 PolarHBondContact NE2-SD 2.86Å; H55-M59 WeakPolarHBondContact O-CB 3.01Å; H55-M59 WeakPolarHBondContact O-CG 3.1Å; H55-M59 PolarHBondContact O-N 3.24Å; M59-V61 VanDerWaalsContact C-N 3.31Å; M59-V61 PolarHBondContact O-N 2.86Å; M59-N62 PolarHBondContact O-N 2.86Å; M59-N62 VanDerWaalsContact O-N 3.1Å; M59-N63 PolarHBondContact O-N 3.42Å; M59-L66 HydrophobicContact CB-CD1 4.44Å; M59-L66 HydrophobicContact CB-CD2 3.47Å; M59-L66 VanDerWaalsContact CB-CD2 3.47Å; M59-L66 HydrophobicContact CE-CD1 3.68Å; M59-L66 HydrophobicContact SD-CD1 4.29Å; M59-L66 HydrophobicContact SD-CD2 4.37Å
60A87.6Confident89.2Confident6 Ų637.9 Ų37.95%0.0520%0.197CC..Hα-helixtrans-76-14.7-174.100000114.6I3 L56 N63 L66 A87I3-A60 HydrophobicContact CD1-CB 3.31Å; L56-A60 WeakPolarHBondContact O-CB 3.48Å; L56-A60 PolarHBondContact O-N 2.94Å; A60-N63 WeakPolarHBondContact CA-O 3.11Å; A60-L66 HydrophobicContact CB-CD2 3.93Å; A60-A87 HydrophobicContact CB-CB 3.66Å
61V84.1Confident89.5Confident72 Ų7234.9 Ų34.944%0.43618%0.179SC..Hα-helixtrans-67.4-40.6165.2163.10000110.8I3 C57 M59I3-V61 HydrophobicContact CG2-CG2 4.36Å; C57-V61 VanDerWaalsContact O-CG2 3.3Å; C57-V61 WeakPolarHBondContact O-CG2 3.5Å; C57-V61 PolarHBondContact O-N 2.83Å; C57-V61 VanDerWaalsContact O-N 3.1Å; M59-V61 VanDerWaalsContact C-N 3.31Å; M59-V61 PolarHBondContact O-N 2.86Å
62N82.1Confident89.8Confident123 Ų12334 Ų3466%0.65818%0.175SC*.Hα-helixtrans-84-38.4-178.8-63.4-10.9000112.1M59M59-N62 PolarHBondContact O-N 2.86Å; M59-N62 VanDerWaalsContact O-N 3.1Å
63N84.8Confident89.7Confident44 Ų4434 Ų3424%0.23518%0.175CC..  trans-121.1103.2-174.5-175.8-3.2000111.7S29 M59 A60 A65 L66S29-N63 PolarHBondContact OG-ND2 3.25Å; M59-N63 PolarHBondContact O-N 3.42Å; A60-N63 WeakPolarHBondContact CA-O 3.11Å; N63-A65 PolarHBondContact O-N 3.17Å; N63-A65 WeakPolarHBondContact OD1-CA 3.31Å; N63-A65 PolarHBondContact OD1-N 3.19Å; N63-L66 WeakPolarHBondContact O-CB 3.38Å; N63-L66 PolarHBondContact O-N 3.24Å; N63-L66 PolarHBondContact OD1-N 3Å
64K78Confident89.3Confident192 Ų19233.3 Ų33.384%0.83517%0.17SC*.THydrogen-bonded Turntrans-69.2-16.8177.9-62.5171.1-171.7161.10113.7
65A85.9Confident88.7Confident56 Ų5635 Ų3546%0.46318%0.18SC..THydrogen-bonded Turntrans-99.716.4179.100000112.6N63 Y67N63-A65 PolarHBondContact O-N 3.17Å; N63-A65 WeakPolarHBondContact OD1-CA 3.31Å; N63-A65 PolarHBondContact OD1-N 3.19Å; A65-Y67 WeakPolarHBondContact O-CD2 3.47Å; A65-Y67 PolarHBondContact O-N 3.5Å
66L92.1Very high88.1Confident1 Ų142.9 Ų42.91%0.00521%0.211CC..  trans-65.6124.2172.3-17569.9000110.6S29 I31 L56 M59 A60 N63 I86 A87S29-L66 CarbonylContact O-C 3.58Å; S29-L66 WeakPolarHBondContact O-CA 3.46Å; I31-L66 HydrophobicContact CD1-CD1 4.25Å; I31-L66 HydrophobicContact CG1-CD1 4.47Å; L56-L66 HydrophobicContact CD2-CD2 4.08Å; M59-L66 HydrophobicContact CB-CD1 4.44Å; M59-L66 HydrophobicContact CB-CD2 3.47Å; M59-L66 VanDerWaalsContact CB-CD2 3.47Å; M59-L66 HydrophobicContact CE-CD1 3.68Å; M59-L66 HydrophobicContact SD-CD1 4.29Å; M59-L66 HydrophobicContact SD-CD2 4.37Å; A60-L66 HydrophobicContact CB-CD2 3.93Å; N63-L66 WeakPolarHBondContact O-CB 3.38Å; N63-L66 PolarHBondContact O-N 3.24Å; N63-L66 PolarHBondContact OD1-N 3Å; L66-I86 CarbonylContact O-C 3.56Å; L66-I86 WeakPolarHBondContact O-CA 3.49Å; L66-A87 HydrophobicContact CB-CB 3.92Å; L66-A87 HydrophobicContact CD2-CB 3.68Å; L66-A87 HydrophobicContact CG-CB 3.89Å; L66-A87 WeakPolarHBondContact O-CB 3.24Å; L66-A87 PolarHBondContact O-N 2.74Å
67Y95.4Very high87.7Confident90 Ų9045.4 Ų45.435%0.35323%0.226SC..EExtended strand (participates in β ladder)trans-114.8148.2164.7-63.9-109.5000110.1S29 R30 I31 A65 V85 I86S29-Y67 PolarHBondContact O-N 2.85Å; R30-Y67 WeakPolarHBondContact CA-O 3.06Å; R30-Y67 HydrophobicContact CG-CD2 4.41Å; I31-Y67 PolarHBondContact N-O 2.81Å; A65-Y67 WeakPolarHBondContact O-CD2 3.47Å; A65-Y67 PolarHBondContact O-N 3.5Å; Y67-V85 CarbonylContact C-O 3.58Å; Y67-V85 VanDerWaalsContact CA-O 3.28Å; Y67-V85 WeakPolarHBondContact CA-O 3.42Å; Y67-I86 HydrophobicContact CD1-CB 4.02Å; Y67-I86 VanDerWaalsContact CD1-N 3.3Å; Y67-I86 HydrophobicContact CE1-CB 3.86Å
68F96.7Very high87.7Confident0 Ų048.7 Ų48.70%024%0.24CC..EExtended strand (participates in β ladder)trans-139.8160.6178.876.6-81000112.4I31 F33 L56 V70 F80 L84 V85 A87 N91 L95I31-F68 HydrophobicContact CG1-CB 3.88Å; I31-F68 CarbonylContact O-C 3.25Å; I31-F68 WeakPolarHBondContact O-CA 3.35Å; F33-F68 HydrophobicContact CE2-CB 4.46Å; L56-F68 HydrophobicContact CD1-CD1 4.39Å; L56-F68 HydrophobicContact CD1-CD2 3.89Å; L56-F68 HydrophobicContact CD1-CE1 4.5Å; L56-F68 HydrophobicContact CD1-CE2 4.03Å; L56-F68 HydrophobicContact CD1-CG 4.09Å; L56-F68 HydrophobicContact CD1-CZ 4.32Å; L56-F68 HydrophobicContact CD2-CB 3.69Å; L56-F68 HydrophobicContact CD2-CD1 3.9Å; L56-F68 HydrophobicContact CD2-CD2 4.28Å; L56-F68 HydrophobicContact CD2-CG 3.68Å; F68-V70 HydrophobicContact CD2-CG2 4.13Å; F68-V70 HydrophobicContact CE2-CG2 4.32Å; F68-F80 AromaticContact CE2-CD1 3.94Å; F68-F80 HydrophobicContact CE2-CD1 3.94Å; F68-F80 AromaticContact CE2-CE1 3.85Å; F68-F80 HydrophobicContact CE2-CE1 3.85Å; F68-F80 HydrophobicContact CZ-CD1 4.46Å; F68-F80 AromaticContact CZ-CE1 3.91Å; F68-F80 HydrophobicContact CZ-CE1 3.91Å; F68-L84 WeakPolarHBondContact O-CA 3.19Å; F68-V85 HydrophobicContact CD1-CG2 4.33Å; F68-V85 WeakPolarHBondContact CD1-O 3.39Å; F68-V85 HydrophobicContact CE1-CG2 3.88Å; F68-V85 HydrophobicContact CE2-CG2 4.35Å; F68-V85 HydrophobicContact CZ-CG2 3.9Å; F68-V85 PolarHBondContact N-O 3.37Å; F68-V85 PolarHBondContact O-N 3.11Å; F68-A87 HydrophobicContact CD1-CB 4.12Å; F68-A87 HydrophobicContact CE1-CB 4.47Å; F68-N91 HydrophobicContact CE1-CB 4.09Å; F68-N91 HydrophobicContact CZ-CB 4.14Å; F68-L95 HydrophobicContact CD2-CD2 4.46Å; F68-L95 HydrophobicContact CE2-CB 4.36Å; F68-L95 HydrophobicContact CE2-CD1 4.34Å; F68-L95 HydrophobicContact CE2-CD2 3.75Å; F68-L95 HydrophobicContact CE2-CG 4.36Å; F68-L95 HydrophobicContact CZ-CB 4.44Å; F68-L95 HydrophobicContact CZ-CD2 4.34Å
69N95.9Very high87.9Confident0 Ų050 Ų500%024%0.243CC..EExtended strand (participates in β ladder)trans-137.6160.8153.8-164.516.8000109.2I31 F33 R81 L84 H120I31-N69 PolarHBondContact O-N 2.67Å; F33-N69 PolarHBondContact N-O 2.86Å; N69-R81 PolarHBondContact ND2-O 2.96Å; N69-R81 PolarHBondContact OD1-N 3.05Å; N69-R81 VanDerWaalsContact OD1-N 3.07Å; N69-R81 PolarHBondContact OD1-O 2.84Å; N69-L84 HydrophobicContact CB-CD2 3.99Å; N69-H120 PolarHBondContact ND2-CE1 2.78Å; N69-H120 PolarHBondContact ND2-NE2 2.78Å
70V96.9Very high88.1Confident0 Ų049.4 Ų49.40%024%0.24CC..EExtended strand (participates in β ladder)trans-123.3130.9172-1750000108.9F33 I35 F68 F80 L95 W98 L99F33-V70 HydrophobicContact CB-CB 4.4Å; F33-V70 HydrophobicContact CB-CG1 4.13Å; F33-V70 HydrophobicContact CB-CG2 4.08Å; F33-V70 HydrophobicContact CD2-CG2 3.96Å; F33-V70 HydrophobicContact CG-CG2 4.32Å; I35-V70 HydrophobicContact CG1-CG1 4.3Å; F68-V70 HydrophobicContact CD2-CG2 4.13Å; F68-V70 HydrophobicContact CE2-CG2 4.32Å; V70-F80 HydrophobicContact CB-CB 4.19Å; V70-F80 WeakPolarHBondContact O-CB 3.3Å; V70-F80 PolarHBondContact O-N 3.38Å; V70-L95 HydrophobicContact CB-CD1 3.82Å; V70-L95 HydrophobicContact CG1-CD1 4.48Å; V70-L95 HydrophobicContact CG2-CD1 3.46Å; V70-L95 VanDerWaalsContact CG2-CD1 3.46Å; V70-L95 HydrophobicContact CG2-CD2 3.89Å; V70-L95 HydrophobicContact CG2-CG 4.31Å; V70-W98 HydrophobicContact CB-CZ3 4.16Å; V70-W98 HydrophobicContact CG1-CZ3 3.91Å; V70-L99 HydrophobicContact CG1-CD2 4.44Å
71I94.6Very high88.3Confident0 Ų053.2 Ų53.20%025%0.253CS..EExtended strand (participates in β ladder)trans-116.7132.6172.4-58.6-168000106.6V32 F33 C34 I35 V77 K78 R79 A116V32-I71 HydrophobicContact CG1-CD1 4.18Å; V32-I71 HydrophobicContact CG1-CG1 4.14Å; F33-I71 PolarHBondContact O-N 3.48Å; C34-I71 CarbonylContact C-O 3.56Å; C34-I71 WeakPolarHBondContact CA-O 3.38Å; I35-I71 PolarHBondContact N-O 2.84Å; I71-V77 HydrophobicContact CG2-CG1 3.42Å; I71-V77 VanDerWaalsContact CG2-CG1 3.42Å; I71-K78 CarbonylContact C-O 3.55Å; I71-K78 WeakPolarHBondContact CA-O 3.39Å; I71-R79 HydrophobicContact CD1-CG 4.02Å; I71-R79 HydrophobicContact CG1-CB 4.33Å; I71-R79 HydrophobicContact CG1-CG 3.95Å; I71-R79 HydrophobicContact CG2-CG 4.41Å; I71-A116 HydrophobicContact CD1-CB 4.02Å; I71-A116 WeakPolarHBondContact CD1-O 3.21Å
72T94.1Very high88.4Confident1 Ų156.8 Ų56.81%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-114.7142.1173.451.80000109.4I35 T37 W45 K78 W98 V102I35-T72 HydrophobicContact CB-CG2 4.49Å; I35-T72 CarbonylContact O-C 3.56Å; I35-T72 WeakPolarHBondContact O-CA 3.43Å; T37-T72 HydrophobicContact CG2-CG2 3.9Å; W45-T72 HydrophobicContact CH2-CG2 3.91Å; T72-K78 PolarHBondContact N-O 3.33Å; T72-K78 PolarHBondContact O-N 3.33Å; T72-W98 HydrophobicContact CG2-CH2 3.68Å; T72-W98 HydrophobicContact CG2-CZ3 3.91Å; T72-W98 WeakPolarHBondContact OG1-CH2 3.14Å; T72-V102 HydrophobicContact CG2-CG2 4.31Å
73F90.5Very high88.7Confident0 Ų058 Ų580%027%0.266CS..EExtended strand (participates in β ladder)trans-142.1138.6-176.471.4-85.4000114.3I35 D36 T37 Y76 V77 S108 Y109 V110 A113 L128I35-F73 VanDerWaalsContact C-CE1 3.49Å; I35-F73 WeakPolarHBondContact O-CD1 3.4Å; I35-F73 PolarHBondContact O-N 3.42Å; D36-F73 CarbonylContact C-O 3.52Å; D36-F73 WeakPolarHBondContact CA-O 3.41Å; D36-F73 HydrophobicContact CB-CE1 3.85Å; D36-F73 HydrophobicContact CB-CE2 3.96Å; D36-F73 HydrophobicContact CB-CZ 3.51Å; D36-F73 VanDerWaalsContact N-CE1 3.31Å; T37-F73 PolarHBondContact N-O 2.93Å; T37-F73 VanDerWaalsContact OG1-C 3.28Å; T37-F73 PolarHBondContact OG1-O 2.83Å; F73-Y76 VanDerWaalsContact CA-O 3.3Å; F73-Y76 WeakPolarHBondContact CA-O 3.39Å; F73-V77 HydrophobicContact CB-CG2 4.17Å; F73-S108 VanDerWaalsContact CE2-OG 3.31Å; F73-S108 WeakPolarHBondContact CE2-OG 3.37Å; F73-Y109 WeakPolarHBondContact CD2-O 3.43Å; F73-V110 HydrophobicContact CE2-CB 4.08Å; F73-V110 HydrophobicContact CE2-CG2 3.64Å; F73-V110 HydrophobicContact CZ-CB 4.39Å; F73-V110 HydrophobicContact CZ-CG1 4.4Å; F73-V110 HydrophobicContact CZ-CG2 3.99Å; F73-A113 HydrophobicContact CB-CB 3.39Å; F73-A113 HydrophobicContact CD1-CB 3.42Å; F73-A113 VanDerWaalsContact CD1-CB 3.42Å; F73-A113 HydrophobicContact CD2-CB 3.76Å; F73-A113 HydrophobicContact CE1-CB 4.09Å; F73-A113 HydrophobicContact CE2-CB 4.38Å; F73-A113 HydrophobicContact CG-CB 3.23Å; F73-L128 HydrophobicContact CE1-CD1 3.64Å; F73-L128 HydrophobicContact CZ-CD1 3.72Å
74D84.3Confident89Confident8 Ų857 Ų574%0.04326%0.261CS..SBendtrans-138.4-116.8172.84848.3000109.3T37 Y76 G105 S107 Y109T37-D74 PolarHBondContact OG1-OD2 2.63Å; D74-Y76 PolarHBondContact N-O 3.3Å; D74-Y76 PolarHBondContact O-N 2.93Å; D74-Y76 PolarHBondContact OD1-N 2.83Å; D74-G105 PolarHBondContact OD2-N 3.16Å; D74-S107 CarbonylContact C-O 3.55Å; D74-S107 VanDerWaalsContact C-O 3.29Å; D74-S107 WeakPolarHBondContact CA-O 3.31Å; D74-Y109 PolarHBondContact O-N 3.5Å; D74-Y109 VanDerWaalsContact O-N 3.11Å
75D74.1Confident89.8Confident57 Ų5749.2 Ų49.231%0.30523%0.229SC..SBendtrans-69.7-17.9162.9-57-58.4000111.2T106 S107D75-T106 PolarHBondContact OD1-OG1 2.97Å; D75-T106 PolarHBondContact OD2-N 2.71Å; D75-T106 PolarHBondContact OD2-OG1 2.77Å; D75-S107 VanDerWaalsContact OD1-CB 3.29Å; D75-S107 WeakPolarHBondContact OD1-CB 3.49Å; D75-S107 PolarHBondContact OD1-N 3.25Å; D75-S107 VanDerWaalsContact OD1-N 3.1Å; D75-S107 PolarHBondContact OD1-OG 2.97Å; D75-S107 PolarHBondContact OD2-N 2.88Å
76Y77.3Confident90.1Very high170 Ų17050 Ų5067%0.66723%0.225SC*.SBendtrans-133.1156179.4-58.3-91.2000112.1F73 D74F73-Y76 VanDerWaalsContact CA-O 3.3Å; F73-Y76 WeakPolarHBondContact CA-O 3.39Å; D74-Y76 PolarHBondContact N-O 3.3Å; D74-Y76 PolarHBondContact O-N 2.93Å; D74-Y76 PolarHBondContact OD1-N 2.83Å
77V84.3Confident90.2Very high53 Ų5350.2 Ų50.232%0.32123%0.227SC..EExtended strand (participates in β ladder)trans-104.5114175.1-175.80000110.8I71 F73 P112 A113 A116I71-V77 HydrophobicContact CG2-CG1 3.42Å; I71-V77 VanDerWaalsContact CG2-CG1 3.42Å; F73-V77 HydrophobicContact CB-CG2 4.17Å; V77-P112 HydrophobicContact CG2-CB 4.04Å; V77-A113 HydrophobicContact CG2-CB 4.14Å; V77-A116 HydrophobicContact CG1-CB 3.74Å
78K87.7Confident89.9Confident74 Ų7447.7 Ų47.732%0.32222%0.222SC..EExtended strand (participates in β ladder)trans-107.8143.7176.7-60.6-179.1-176.2179.20110I71 T72 W98 D723I71-K78 CarbonylContact C-O 3.55Å; I71-K78 WeakPolarHBondContact CA-O 3.39Å; T72-K78 PolarHBondContact N-O 3.33Å; T72-K78 PolarHBondContact O-N 3.33Å; K78-W98 HydrophobicContact CB-CZ2 4.47Å; K78-D723 IonicContact NZ-OD2 3.35Å; K78-D723 PolarHBondContact NZ-OD2 3.14Å
79R91.9Very high89.4Confident83 Ų8350.8 Ų50.831%0.31324%0.235SC..EExtended strand (participates in β ladder)trans-122.3137.8179.8-48.3-168.4-167.3-166.74.7111I71 A116 S119 H120I71-R79 HydrophobicContact CD1-CG 4.02Å; I71-R79 HydrophobicContact CG1-CB 4.33Å; I71-R79 HydrophobicContact CG1-CG 3.95Å; I71-R79 HydrophobicContact CG2-CG 4.41Å; R79-A116 PolarHBondContact NH1-O 2.84Å; R79-S119 PolarHBondContact NH1-OG 3.02Å; R79-S119 PolarHBondContact NH2-OG 3.07Å; R79-H120 PolarHBondContact NH1-NE2 2.83Å
80F92.9Very high89.1Confident8 Ų855.2 Ų55.24%0.03526%0.258CS..SBendtrans-64.1-44.6175.9171.4-122000111.9F68 V70 V85 E94 L95 W98F68-F80 AromaticContact CE2-CD1 3.94Å; F68-F80 HydrophobicContact CE2-CD1 3.94Å; F68-F80 AromaticContact CE2-CE1 3.85Å; F68-F80 HydrophobicContact CE2-CE1 3.85Å; F68-F80 HydrophobicContact CZ-CD1 4.46Å; F68-F80 AromaticContact CZ-CE1 3.91Å; F68-F80 HydrophobicContact CZ-CE1 3.91Å; V70-F80 HydrophobicContact CB-CB 4.19Å; V70-F80 WeakPolarHBondContact O-CB 3.3Å; V70-F80 PolarHBondContact O-N 3.38Å; F80-V85 HydrophobicContact CE1-CG2 4.28Å; F80-E94 HydrophobicContact CE2-CB 4.23Å; F80-E94 HydrophobicContact CZ-CB 3.96Å; F80-L95 HydrophobicContact CB-CD1 4.16Å; F80-L95 HydrophobicContact CD1-CB 4.47Å; F80-L95 HydrophobicContact CD1-CD1 3.8Å; F80-L95 HydrophobicContact CD2-CD1 4Å; F80-L95 HydrophobicContact CE1-CB 4Å; F80-L95 HydrophobicContact CE1-CD1 4.2Å; F80-L95 HydrophobicContact CE2-CB 4.17Å; F80-L95 HydrophobicContact CE2-CD1 4.38Å; F80-L95 HydrophobicContact CG-CD1 3.7Å; F80-L95 HydrophobicContact CZ-CB 3.84Å; F80-L95 HydrophobicContact CZ-CD1 4.48Å; F80-W98 HydrophobicContact CB-CD2 4.06Å; F80-W98 HydrophobicContact CB-CE3 3.8Å; F80-W98 HydrophobicContact CB-CH2 4.06Å; F80-W98 HydrophobicContact CB-CZ2 4.3Å; F80-W98 HydrophobicContact CB-CZ3 3.81Å; F80-W98 HydrophobicContact CD2-CB 3.81Å; F80-W98 AromaticContact CD2-CD2 3.79Å; F80-W98 HydrophobicContact CD2-CD2 3.79Å; F80-W98 AromaticContact CD2-CE3 3.98Å; F80-W98 HydrophobicContact CD2-CE3 3.98Å; F80-W98 AromaticContact CD2-CG 3.74Å; F80-W98 HydrophobicContact CD2-CG 3.74Å; F80-W98 HydrophobicContact CE2-CB 4.01Å; F80-W98 HydrophobicContact CE2-CG 4.4Å; F80-W98 HydrophobicContact CG-CD2 4.37Å; F80-W98 HydrophobicContact CG-CE3 4.22Å
81R91.5Very high89Confident86 Ų8656.6 Ų56.633%0.32527%0.265SS..  trans-135.9159.1175.5-65.2-72174.6-99.810.1110.3N69 K83 V85 E94N69-R81 PolarHBondContact ND2-O 2.96Å; N69-R81 PolarHBondContact OD1-N 3.05Å; N69-R81 VanDerWaalsContact OD1-N 3.07Å; N69-R81 PolarHBondContact OD1-O 2.84Å; R81-K83 VanDerWaalsContact C-N 3.31Å; R81-K83 WeakPolarHBondContact CB-O 3.28Å; R81-V85 HydrophobicContact CB-CG1 4.08Å; R81-V85 HydrophobicContact CG-CG1 3.83Å; R81-V85 HydrophobicContact CG-CG2 4.13Å; R81-E94 IonicContact CZ-OE2 2.67Å; R81-E94 IonicContact NH2-OE2 3.57Å; R81-E94 PolarHBondContact NH2-OE2 3.34Å
82M84.5Confident88.9Confident146 Ų14656.6 Ų56.672%0.71927%0.265SS*.SBendtrans-79.6-12.3177.9-74.4-95.46400113.7H120M82-H120 PolarHBondContact O-CE1 3.36Å
83K88.9Confident88.7Confident149 Ų14959 Ų5965%0.64828%0.276SS*.SBendtrans-140.8166.2175.3-65.6-168.2175.6-166.10109.2R81R81-K83 VanDerWaalsContact C-N 3.31Å; R81-K83 WeakPolarHBondContact CB-O 3.28Å
84L91.6Very high88.8Confident22 Ų2262.5 Ų62.512%0.11529%0.292CS..  trans-56.1140.5164.5-66.1175.3000110.2R30 V32 F68 N69 D122 A123R30-L84 HydrophobicContact CB-CD1 3.92Å; R30-L84 HydrophobicContact CG-CD1 4.26Å; V32-L84 HydrophobicContact CG2-CD2 3.78Å; F68-L84 WeakPolarHBondContact O-CA 3.19Å; N69-L84 HydrophobicContact CB-CD2 3.99Å; L84-D122 HydrophobicContact CD1-CB 4.11Å; L84-A123 HydrophobicContact CD1-CB 4.31Å
85V94.2Very high89.3Confident29 Ų2962.1 Ų62.118%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-126.5144.1176.6-66.50000110.6Y67 F68 F80 R81 N91Y67-V85 CarbonylContact C-O 3.58Å; Y67-V85 VanDerWaalsContact CA-O 3.28Å; Y67-V85 WeakPolarHBondContact CA-O 3.42Å; F68-V85 HydrophobicContact CD1-CG2 4.33Å; F68-V85 WeakPolarHBondContact CD1-O 3.39Å; F68-V85 HydrophobicContact CE1-CG2 3.88Å; F68-V85 HydrophobicContact CE2-CG2 4.35Å; F68-V85 HydrophobicContact CZ-CG2 3.9Å; F68-V85 PolarHBondContact N-O 3.37Å; F68-V85 PolarHBondContact O-N 3.11Å; F80-V85 HydrophobicContact CE1-CG2 4.28Å; R81-V85 HydrophobicContact CB-CG1 4.08Å; R81-V85 HydrophobicContact CG-CG1 3.83Å; R81-V85 HydrophobicContact CG-CG2 4.13Å; V85-N91 HydrophobicContact CG2-CB 4.33Å
86I93.4Very high90.2Very high72 Ų7260.7 Ų60.737%0.36928%0.283SS..EExtended strand (participates in β ladder)trans-59.9143.4179-168.7170.2000111L66 Y67 S88 N91L66-I86 CarbonylContact O-C 3.56Å; L66-I86 WeakPolarHBondContact O-CA 3.49Å; Y67-I86 HydrophobicContact CD1-CB 4.02Å; Y67-I86 VanDerWaalsContact CD1-N 3.3Å; Y67-I86 HydrophobicContact CE1-CB 3.86Å; I86-S88 PolarHBondContact O-N 2.99Å; I86-N91 PolarHBondContact O-ND2 3.09Å
87A92.5Very high90.9Very high6 Ų659.6 Ų59.65%0.0528%0.281CS..  trans-73.656.5-178.900000113.2I3 A60 L66 F68 I92I3-A87 WeakPolarHBondContact CD1-O 3.33Å; A60-A87 HydrophobicContact CB-CB 3.66Å; L66-A87 HydrophobicContact CB-CB 3.92Å; L66-A87 HydrophobicContact CD2-CB 3.68Å; L66-A87 HydrophobicContact CG-CB 3.89Å; L66-A87 WeakPolarHBondContact O-CB 3.24Å; L66-A87 PolarHBondContact O-N 2.74Å; F68-A87 HydrophobicContact CD1-CB 4.12Å; F68-A87 HydrophobicContact CE1-CB 4.47Å; A87-I92 HydrophobicContact CB-CD1 4.48Å
88S89.1Confident91.3Very high37 Ų3759.7 Ų59.726%0.25928%0.276SS..  trans-79156176.877.50000112I86 I90 N91 I92I86-S88 PolarHBondContact O-N 2.99Å; S88-I90 PolarHBondContact O-N 3.34Å; S88-I90 VanDerWaalsContact O-N 3.13Å; S88-I90 PolarHBondContact OG-N 3.4Å; S88-N91 PolarHBondContact O-N 3.46Å; S88-N91 VanDerWaalsContact O-N 3.17Å; S88-N91 VanDerWaalsContact OG-CG 3.26Å; S88-N91 PolarHBondContact OG-N 3.47Å; S88-N91 VanDerWaalsContact OG-N 3.14Å; S88-N91 PolarHBondContact OG-ND2 3.28Å; S88-I92 WeakPolarHBondContact O-CG1 3.44Å; S88-I92 PolarHBondContact O-N 3.4Å
89Y86Confident91.6Very high65 Ų6556.2 Ų56.226%0.25526%0.261SS..Hα-helixtrans-47.6-40.6170.8171.8-83.8000112.6R5 L6 Q93R5-Y89 HydrophobicContact CB-CD2 4.07Å; R5-Y89 HydrophobicContact CB-CE2 3.86Å; L6-Y89 HydrophobicContact CB-CD2 4.3Å; L6-Y89 HydrophobicContact CB-CE2 4.41Å; L6-Y89 HydrophobicContact CD1-CD2 3.66Å; L6-Y89 HydrophobicContact CD1-CE2 4.34Å; L6-Y89 HydrophobicContact CD1-CG 4.29Å; L6-Y89 HydrophobicContact CG-CD2 3.59Å; L6-Y89 HydrophobicContact CG-CE2 3.77Å; Y89-Q93 HydrophobicContact CD1-CG 4.4Å; Y89-Q93 HydrophobicContact CE1-CG 4.01Å; Y89-Q93 HydrophobicContact CE2-CG 4.39Å; Y89-Q93 WeakPolarHBondContact O-CB 3.18Å; Y89-Q93 VanDerWaalsContact O-CG 3.26Å; Y89-Q93 WeakPolarHBondContact O-CG 3.39Å; Y89-Q93 PolarHBondContact O-N 3.2Å
90I90.9Very high91.4Very high94 Ų9460.8 Ų60.848%0.48228%0.278SS..Hα-helixtrans-69.5-51.1-177.9-59.3174.1000109.8S88 I92 Q93 E94S88-I90 PolarHBondContact O-N 3.34Å; S88-I90 VanDerWaalsContact O-N 3.13Å; S88-I90 PolarHBondContact OG-N 3.4Å; I90-I92 VanDerWaalsContact C-N 3.3Å; I90-I92 PolarHBondContact O-N 2.89Å; I90-Q93 PolarHBondContact O-N 3.47Å; I90-Q93 VanDerWaalsContact O-N 3.13Å; I90-E94 HydrophobicContact CG2-CG 4.46Å; I90-E94 WeakPolarHBondContact O-CG 3.26Å; I90-E94 PolarHBondContact O-N 3.07Å
91N93.8Very high91.2Very high28 Ų2863 Ų6315%0.1530%0.295CS..Hα-helixtrans-63.6-35.3-178.5-64.1-21.7000112.2F68 V85 I86 S88 L95F68-N91 HydrophobicContact CE1-CB 4.09Å; F68-N91 HydrophobicContact CZ-CB 4.14Å; V85-N91 HydrophobicContact CG2-CB 4.33Å; I86-N91 PolarHBondContact O-ND2 3.09Å; S88-N91 PolarHBondContact O-N 3.46Å; S88-N91 VanDerWaalsContact O-N 3.17Å; S88-N91 VanDerWaalsContact OG-CG 3.26Å; S88-N91 PolarHBondContact OG-N 3.47Å; S88-N91 VanDerWaalsContact OG-N 3.14Å; S88-N91 PolarHBondContact OG-ND2 3.28Å; N91-L95 WeakPolarHBondContact O-CB 3.41Å; N91-L95 PolarHBondContact O-N 3.39Å
92I93Very high90.9Very high0 Ų060.1 Ų60.10%029%0.286CS..Hα-helixtrans-69.6-39.5175-65.6168.7000111.2L6 V53 L56 A87 S88 I90 L95 N96L6-I92 HydrophobicContact CD1-CB 4.23Å; L6-I92 HydrophobicContact CD1-CD1 4.36Å; L6-I92 HydrophobicContact CD1-CG2 4.01Å; L6-I92 HydrophobicContact CD2-CG2 4.19Å; V53-I92 HydrophobicContact CG1-CG2 4Å; L56-I92 HydrophobicContact CB-CD1 4.24Å; L56-I92 HydrophobicContact CB-CG1 4.4Å; A87-I92 HydrophobicContact CB-CD1 4.48Å; S88-I92 WeakPolarHBondContact O-CG1 3.44Å; S88-I92 PolarHBondContact O-N 3.4Å; I90-I92 VanDerWaalsContact C-N 3.3Å; I90-I92 PolarHBondContact O-N 2.89Å; I92-L95 PolarHBondContact O-N 2.84Å; I92-N96 WeakPolarHBondContact O-CB 3.39Å; I92-N96 PolarHBondContact O-N 3.25Å
93Q90Very high90.4Very high53 Ų5353.8 Ų53.825%0.24826%0.257CS..Hα-helixtrans-68.6-36.6174.5-75.5-70.8-4.400112.6L6 Y89 I90 K97L6-Q93 HydrophobicContact CD2-CG 4.38Å; Y89-Q93 HydrophobicContact CD1-CG 4.4Å; Y89-Q93 HydrophobicContact CE1-CG 4.01Å; Y89-Q93 HydrophobicContact CE2-CG 4.39Å; Y89-Q93 WeakPolarHBondContact O-CB 3.18Å; Y89-Q93 VanDerWaalsContact O-CG 3.26Å; Y89-Q93 WeakPolarHBondContact O-CG 3.39Å; Y89-Q93 PolarHBondContact O-N 3.2Å; I90-Q93 PolarHBondContact O-N 3.47Å; I90-Q93 VanDerWaalsContact O-N 3.13Å; Q93-K97 WeakPolarHBondContact O-CG 3.38Å; Q93-K97 PolarHBondContact O-N 2.91Å; Q93-K97 VanDerWaalsContact O-N 3.08Å
94E93.1Very high90.1Very high72 Ų7248.3 Ų48.334%0.33623%0.233SC..Hα-helixtrans-67.5-39.9172.7-72.2-178.4171.500112.1F80 R81 I90 K97 W98F80-E94 HydrophobicContact CE2-CB 4.23Å; F80-E94 HydrophobicContact CZ-CB 3.96Å; R81-E94 IonicContact CZ-OE2 2.67Å; R81-E94 IonicContact NH2-OE2 3.57Å; R81-E94 PolarHBondContact NH2-OE2 3.34Å; I90-E94 HydrophobicContact CG2-CG 4.46Å; I90-E94 WeakPolarHBondContact O-CG 3.26Å; I90-E94 PolarHBondContact O-N 3.07Å; E94-K97 PolarHBondContact O-N 3.46Å; E94-W98 WeakPolarHBondContact O-CB 3.42Å; E94-W98 PolarHBondContact O-N 2.78Å
95L95.5Very high89.1Confident0 Ų048 Ų480%024%0.235CC..Hα-helixtrans-60.4-48.9172.8178.170.7000111I52 L56 F68 V70 F80 N91 I92 K97 W98 L99I52-L95 HydrophobicContact CG2-CD2 3.87Å; L56-L95 HydrophobicContact CD1-CD2 3.52Å; F68-L95 HydrophobicContact CD2-CD2 4.46Å; F68-L95 HydrophobicContact CE2-CB 4.36Å; F68-L95 HydrophobicContact CE2-CD1 4.34Å; F68-L95 HydrophobicContact CE2-CD2 3.75Å; F68-L95 HydrophobicContact CE2-CG 4.36Å; F68-L95 HydrophobicContact CZ-CB 4.44Å; F68-L95 HydrophobicContact CZ-CD2 4.34Å; V70-L95 HydrophobicContact CB-CD1 3.82Å; V70-L95 HydrophobicContact CG1-CD1 4.48Å; V70-L95 HydrophobicContact CG2-CD1 3.46Å; V70-L95 VanDerWaalsContact CG2-CD1 3.46Å; V70-L95 HydrophobicContact CG2-CD2 3.89Å; V70-L95 HydrophobicContact CG2-CG 4.31Å; F80-L95 HydrophobicContact CB-CD1 4.16Å; F80-L95 HydrophobicContact CD1-CB 4.47Å; F80-L95 HydrophobicContact CD1-CD1 3.8Å; F80-L95 HydrophobicContact CD2-CD1 4Å; F80-L95 HydrophobicContact CE1-CB 4Å; F80-L95 HydrophobicContact CE1-CD1 4.2Å; F80-L95 HydrophobicContact CE2-CB 4.17Å; F80-L95 HydrophobicContact CE2-CD1 4.38Å; F80-L95 HydrophobicContact CG-CD1 3.7Å; F80-L95 HydrophobicContact CZ-CB 3.84Å; F80-L95 HydrophobicContact CZ-CD1 4.48Å; N91-L95 WeakPolarHBondContact O-CB 3.41Å; N91-L95 PolarHBondContact O-N 3.39Å; I92-L95 PolarHBondContact O-N 2.84Å; L95-K97 VanDerWaalsContact C-N 3.25Å; L95-K97 PolarHBondContact O-N 2.91Å; L95-W98 HydrophobicContact CD1-CE3 3.94Å; L95-W98 HydrophobicContact CD1-CZ3 4.38Å; L95-W98 PolarHBondContact O-N 2.91Å; L95-L99 HydrophobicContact CD1-CD1 4.24Å; L95-L99 HydrophobicContact CD1-CG 4.09Å; L95-L99 HydrophobicContact CD2-CD1 4.25Å; L95-L99 HydrophobicContact CG-CD1 3.85Å; L95-L99 HydrophobicContact CG-CG 4.15Å; L95-L99 WeakPolarHBondContact O-CB 3.32Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 2.81Å
96N92.4Very high87.8Confident27 Ų2753 Ų5314%0.14427%0.266CS..Hα-helixtrans-59.7-34.5178.3-177.228.2000112.2V53 I92 R100V53-N96 HydrophobicContact CG2-CB 4.11Å; I92-N96 WeakPolarHBondContact O-CB 3.39Å; I92-N96 PolarHBondContact O-N 3.25Å; N96-R100 PolarHBondContact ND2-NH2 2.87Å; N96-R100 VanDerWaalsContact O-CD 3.25Å; N96-R100 WeakPolarHBondContact O-CD 3.26Å; N96-R100 WeakPolarHBondContact O-CG 3.05Å; N96-R100 PolarHBondContact O-NE 2.96Å; N96-R100 VanDerWaalsContact OD1-CZ 3.27Å; N96-R100 PolarHBondContact OD1-NE 2.91Å; N96-R100 PolarHBondContact OD1-NH2 3.48Å
97K91.3Very high86.7Confident147 Ų14752 Ų5264%0.63927%0.265SS*.Hα-helixtrans-69-41.9171.1-71.4170.1-176.3177.50112.4Q93 E94 L95Q93-K97 WeakPolarHBondContact O-CG 3.38Å; Q93-K97 PolarHBondContact O-N 2.91Å; Q93-K97 VanDerWaalsContact O-N 3.08Å; E94-K97 PolarHBondContact O-N 3.46Å; L95-K97 VanDerWaalsContact C-N 3.25Å; L95-K97 PolarHBondContact O-N 2.91Å
98W94Very high86Confident56 Ų5652.7 Ų52.721%0.21227%0.269CS..Hα-helixtrans-67.9-46-179.217976.6000112.4V70 T72 K78 F80 E94 L95 R100 S101 V102V70-W98 HydrophobicContact CB-CZ3 4.16Å; V70-W98 HydrophobicContact CG1-CZ3 3.91Å; T72-W98 HydrophobicContact CG2-CH2 3.68Å; T72-W98 HydrophobicContact CG2-CZ3 3.91Å; T72-W98 WeakPolarHBondContact OG1-CH2 3.14Å; K78-W98 HydrophobicContact CB-CZ2 4.47Å; F80-W98 HydrophobicContact CB-CD2 4.06Å; F80-W98 HydrophobicContact CB-CE3 3.8Å; F80-W98 HydrophobicContact CB-CH2 4.06Å; F80-W98 HydrophobicContact CB-CZ2 4.3Å; F80-W98 HydrophobicContact CB-CZ3 3.81Å; F80-W98 HydrophobicContact CD2-CB 3.81Å; F80-W98 AromaticContact CD2-CD2 3.79Å; F80-W98 HydrophobicContact CD2-CD2 3.79Å; F80-W98 AromaticContact CD2-CE3 3.98Å; F80-W98 HydrophobicContact CD2-CE3 3.98Å; F80-W98 AromaticContact CD2-CG 3.74Å; F80-W98 HydrophobicContact CD2-CG 3.74Å; F80-W98 HydrophobicContact CE2-CB 4.01Å; F80-W98 HydrophobicContact CE2-CG 4.4Å; F80-W98 HydrophobicContact CG-CD2 4.37Å; F80-W98 HydrophobicContact CG-CE3 4.22Å; E94-W98 WeakPolarHBondContact O-CB 3.42Å; E94-W98 PolarHBondContact O-N 2.78Å; L95-W98 HydrophobicContact CD1-CE3 3.94Å; L95-W98 HydrophobicContact CD1-CZ3 4.38Å; L95-W98 PolarHBondContact O-N 2.91Å; W98-R100 PolarHBondContact O-N 3.47Å; W98-S101 WeakPolarHBondContact O-CA 3.42Å; W98-S101 PolarHBondContact O-N 3Å; W98-S101 PolarHBondContact O-OG 3.49Å; W98-V102 PolarHBondContact O-N 2.84Å
99L92.6Very high85.4Confident0 Ų055.2 Ų55.20%027%0.274CS..Hα-helixtrans-56.1-36.7176-73.3173.7000112.5W45 C49 I52 V70 L95 S101 V102W45-L99 HydrophobicContact CH2-CD2 4.03Å; W45-L99 HydrophobicContact CZ2-CB 4.46Å; W45-L99 HydrophobicContact CZ2-CD2 3.91Å; W45-L99 PolarHBondContact NE1-O 3.37Å; C49-L99 HydrophobicContact CB-CD1 4.28Å; I52-L99 HydrophobicContact CG2-CD1 4.42Å; V70-L99 HydrophobicContact CG1-CD2 4.44Å; L95-L99 HydrophobicContact CD1-CD1 4.24Å; L95-L99 HydrophobicContact CD1-CG 4.09Å; L95-L99 HydrophobicContact CD2-CD1 4.25Å; L95-L99 HydrophobicContact CG-CD1 3.85Å; L95-L99 HydrophobicContact CG-CG 4.15Å; L95-L99 WeakPolarHBondContact O-CB 3.32Å; L95-L99 WeakPolarHBondContact O-CG 3.5Å; L95-L99 PolarHBondContact O-N 2.81Å; L99-S101 PolarHBondContact O-N 2.86Å; L99-V102 WeakPolarHBondContact O-CB 3.49Å; L99-V102 PolarHBondContact O-N 3.18Å
100R88.7Confident85.3Confident180 Ų18052.3 Ų52.368%0.67926%0.263SS*.THydrogen-bonded Turntrans-75-3.2174.9-64.9169.4-165.1-133.9-5.1114.5N96 W98N96-R100 PolarHBondContact ND2-NH2 2.87Å; N96-R100 VanDerWaalsContact O-CD 3.25Å; N96-R100 WeakPolarHBondContact O-CD 3.26Å; N96-R100 WeakPolarHBondContact O-CG 3.05Å; N96-R100 PolarHBondContact O-NE 2.96Å; N96-R100 VanDerWaalsContact OD1-CZ 3.27Å; N96-R100 PolarHBondContact OD1-NE 2.91Å; N96-R100 PolarHBondContact OD1-NH2 3.48Å; W98-R100 PolarHBondContact O-N 3.47Å
101S87.9Confident84.9Confident55 Ų5548.5 Ų48.539%0.38524%0.243SC..THydrogen-bonded Turntrans-111.6-2.7175.266.70000113.6W98 L99W98-S101 WeakPolarHBondContact O-CA 3.42Å; W98-S101 PolarHBondContact O-N 3Å; W98-S101 PolarHBondContact O-OG 3.49Å; L99-S101 PolarHBondContact O-N 2.86Å
102V85.6Confident84.3Confident24 Ų2449 Ų4915%0.14525%0.248CC..  trans-60138.6173.8170.20000109.8T37 W45 T72 W98 L99T37-V102 HydrophobicContact CG2-CG1 3.59Å; W45-V102 HydrophobicContact CH2-CB 4.33Å; W45-V102 HydrophobicContact CH2-CG1 3.97Å; W45-V102 HydrophobicContact CH2-CG2 4.27Å; W45-V102 HydrophobicContact CZ2-CB 3.68Å; W45-V102 HydrophobicContact CZ2-CG1 3.73Å; W45-V102 HydrophobicContact CZ2-CG2 3.8Å; T72-V102 HydrophobicContact CG2-CG2 4.31Å; W98-V102 PolarHBondContact O-N 2.84Å; L99-V102 WeakPolarHBondContact O-CB 3.49Å; L99-V102 PolarHBondContact O-N 3.18Å
103C74.7Confident84Confident14 Ų1449 Ų4910%0.09525%0.248CC..  trans-109.2155.5169.4-67.20000108.9N719C103-N719 WeakPolarHBondContact SG-CB 3.34Å
104F81.2Confident83.9Confident34 Ų3446.5 Ų46.515%0.14924%0.236CC..  trans-100.2134.4-177.7-58.4-98.9000110.8T37 Y42 W45T37-F104 CarbonylContact O-C 3.44Å; T37-F104 WeakPolarHBondContact O-CA 3.15Å; T37-F104 VanDerWaalsContact O-CB 3.3Å; T37-F104 WeakPolarHBondContact O-CB 3.35Å; T37-F104 WeakPolarHBondContact O-CD1 3.22Å; Y42-F104 AromaticContact CD2-CD2 3.79Å; Y42-F104 HydrophobicContact CD2-CD2 3.79Å; Y42-F104 HydrophobicContact CD2-CE1 4.45Å; Y42-F104 AromaticContact CD2-CE2 3.57Å; Y42-F104 HydrophobicContact CD2-CE2 3.57Å; Y42-F104 HydrophobicContact CD2-CG 4.35Å; Y42-F104 AromaticContact CD2-CZ 3.92Å; Y42-F104 HydrophobicContact CD2-CZ 3.92Å; Y42-F104 HydrophobicContact CE2-CE2 4.2Å; W45-F104 HydrophobicContact CB-CE1 3.94Å; W45-F104 HydrophobicContact CB-CZ 3.63Å; W45-F104 AromaticContact CD1-CZ 3.73Å; W45-F104 AromaticContact CD2-CE1 3.96Å; W45-F104 HydrophobicContact CD2-CE1 3.96Å; W45-F104 AromaticContact CD2-CZ 3.76Å; W45-F104 HydrophobicContact CD2-CZ 3.76Å; W45-F104 HydrophobicContact CE3-CE1 4.09Å; W45-F104 HydrophobicContact CE3-CZ 4.35Å; W45-F104 AromaticContact CG-CE1 3.92Å; W45-F104 HydrophobicContact CG-CE1 3.92Å; W45-F104 AromaticContact CG-CZ 3.41Å; W45-F104 HydrophobicContact CG-CZ 3.41Å; W45-F104 VanDerWaalsContact CG-CZ 3.41Å
105G71Confident83.5Confident16 Ų1645.5 Ų45.517%0.16523%0.233CC..BIsolated β-bridgetrans-84.6-175.8172.500000113.3T37 G39 D74T37-G105 PolarHBondContact O-N 3.29Å; T37-G105 VanDerWaalsContact O-N 3.11Å; G39-G105 PolarHBondContact N-O 3.27Å; D74-G105 PolarHBondContact OD2-N 3.16Å
106T66.9Low83.1Confident133 Ų13345.9 Ų45.982%0.81624%0.236SC*.SBendtrans-95.1-30.4-174.259.20000113.6D75D75-T106 PolarHBondContact OD1-OG1 2.97Å; D75-T106 PolarHBondContact OD2-N 2.71Å; D75-T106 PolarHBondContact OD2-OG1 2.77Å
107S70.2Confident83Confident52 Ų5244.6 Ų44.636%0.36423%0.229SC..SBendtrans-124.6-178.8171.183.10000111.9S38 D74 D75S38-S107 VanDerWaalsContact CB-O 3.25Å; S38-S107 WeakPolarHBondContact CB-O 3.21Å; D74-S107 CarbonylContact C-O 3.55Å; D74-S107 VanDerWaalsContact C-O 3.29Å; D74-S107 WeakPolarHBondContact CA-O 3.31Å; D75-S107 VanDerWaalsContact OD1-CB 3.29Å; D75-S107 WeakPolarHBondContact OD1-CB 3.49Å; D75-S107 PolarHBondContact OD1-N 3.25Å; D75-S107 VanDerWaalsContact OD1-N 3.1Å; D75-S107 PolarHBondContact OD1-OG 2.97Å; D75-S107 PolarHBondContact OD2-N 2.88Å
108S77.6Confident82.8Confident19 Ų1937.8 Ų37.813%0.13320%0.199CC..  trans-122.5131.6174.4177.80000107.8D36 F73D36-S108 VanDerWaalsContact CG-OG 3.25Å; D36-S108 WeakPolarHBondContact OD2-CB 3.5Å; D36-S108 PolarHBondContact OD2-OG 3.37Å; F73-S108 VanDerWaalsContact CE2-OG 3.31Å; F73-S108 WeakPolarHBondContact CE2-OG 3.37Å
109Y77.1Confident82.4Confident91 Ų9138 Ų3836%0.35721%0.209SC..  trans-131.791.5177.5-166.4-163.7000110.9F73 D74 P112 E137 E140F73-Y109 WeakPolarHBondContact CD2-O 3.43Å; D74-Y109 PolarHBondContact O-N 3.5Å; D74-Y109 VanDerWaalsContact O-N 3.11Å; Y109-P112 HydrophobicContact CD1-CG 3.68Å; Y109-P112 HydrophobicContact CD2-CG 4.28Å; Y109-P112 HydrophobicContact CE1-CG 3.51Å; Y109-P112 HydrophobicContact CE2-CG 4.12Å; Y109-P112 HydrophobicContact CG-CG 4.07Å; Y109-E137 WeakPolarHBondContact CA-OE1 3.09Å; Y109-E137 HydrophobicContact CD2-CG 4.45Å; Y109-E140 PolarHBondContact OH-OE2 3.3Å; Y109-E140 VanDerWaalsContact OH-OE2 3.09Å
110V84.1Confident82Confident4 Ų438.6 Ų38.62%0.02421%0.212CC..Hα-helixtrans-72.5-36.8-166.5-177.80000112.3F73 A113 L114 L128 L133 E137 L175F73-V110 HydrophobicContact CE2-CB 4.08Å; F73-V110 HydrophobicContact CE2-CG2 3.64Å; F73-V110 HydrophobicContact CZ-CB 4.39Å; F73-V110 HydrophobicContact CZ-CG1 4.4Å; F73-V110 HydrophobicContact CZ-CG2 3.99Å; V110-A113 WeakPolarHBondContact O-CB 3.39Å; V110-A113 PolarHBondContact O-N 2.84Å; V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.13Å; V110-L114 PolarHBondContact O-N 2.94Å; V110-L128 HydrophobicContact CG1-CD1 4.41Å; V110-L128 HydrophobicContact CG1-CD2 3.88Å; V110-L133 HydrophobicContact CG1-CD2 4.39Å; V110-L133 HydrophobicContact CG2-CD2 3.94Å; V110-E137 WeakPolarHBondContact CB-OE1 3.04Å; V110-E137 WeakPolarHBondContact CG2-OE1 3.19Å; V110-E137 PolarHBondContact N-OE1 2.84Å; V110-L175 HydrophobicContact CG1-CD2 4.31Å
111F81.5Confident81.5Confident13 Ų1332.7 Ų32.76%0.05720%0.196CC..Hα-helixtrans-65.2-49.9-170.9175.9-116.6000113.3A113 L114 L115 E140 V141 Q143 L144F111-A113 PolarHBondContact O-N 2.93Å; F111-L114 PolarHBondContact O-N 3.17Å; F111-L114 VanDerWaalsContact O-N 3.16Å; F111-L115 HydrophobicContact CD1-CD1 4.25Å; F111-L115 HydrophobicContact CD2-CG 4.33Å; F111-L115 HydrophobicContact CE1-CD1 3.72Å; F111-L115 HydrophobicContact CE1-CG 4.31Å; F111-L115 HydrophobicContact CE2-CD1 4.22Å; F111-L115 HydrophobicContact CE2-CD2 3.87Å; F111-L115 HydrophobicContact CE2-CG 3.94Å; F111-L115 HydrophobicContact CZ-CD1 3.71Å; F111-L115 HydrophobicContact CZ-CD2 3.92Å; F111-L115 HydrophobicContact CZ-CG 3.94Å; F111-L115 WeakPolarHBondContact O-CG 3.21Å; F111-L115 PolarHBondContact O-N 3.04Å; F111-E140 HydrophobicContact CD1-CB 3.67Å; F111-E140 VanDerWaalsContact CD1-OE2 3.24Å; F111-E140 WeakPolarHBondContact CD1-OE2 3.48Å; F111-E140 HydrophobicContact CE1-CB 3.63Å; F111-E140 HydrophobicContact CG-CB 4.3Å; F111-E140 HydrophobicContact CZ-CB 4.23Å; F111-E140 WeakPolarHBondContact CZ-O 3.38Å; F111-V141 HydrophobicContact CB-CG2 4.42Å; F111-V141 HydrophobicContact CD2-CG2 3.81Å; F111-V141 HydrophobicContact CE2-CG2 4.43Å; F111-V141 HydrophobicContact CG-CG2 4.29Å; F111-Q143 HydrophobicContact CZ-CB 4.21Å; F111-L144 HydrophobicContact CE2-CB 4.28Å
112P81.9Confident81.3Confident39 Ų3933.7 Ų33.725%0.25320%0.197SC..Hα-helixtrans-61-29.3173.2-24.635.3000113.7V77 Y109 A116V77-P112 HydrophobicContact CG2-CB 4.04Å; Y109-P112 HydrophobicContact CD1-CG 3.68Å; Y109-P112 HydrophobicContact CD2-CG 4.28Å; Y109-P112 HydrophobicContact CE1-CG 3.51Å; Y109-P112 HydrophobicContact CE2-CG 4.12Å; Y109-P112 HydrophobicContact CG-CG 4.07Å; P112-A116 WeakPolarHBondContact O-CB 3.39Å; P112-A116 PolarHBondContact O-N 3.1Å
113A86.5Confident81.3Confident0 Ų032.7 Ų32.70%019%0.191CC..Hα-helixtrans-71.4-36.7177.100000112.3F73 V77 V110 F111 S117F73-A113 HydrophobicContact CB-CB 3.39Å; F73-A113 HydrophobicContact CD1-CB 3.42Å; F73-A113 VanDerWaalsContact CD1-CB 3.42Å; F73-A113 HydrophobicContact CD2-CB 3.76Å; F73-A113 HydrophobicContact CE1-CB 4.09Å; F73-A113 HydrophobicContact CE2-CB 4.38Å; F73-A113 HydrophobicContact CG-CB 3.23Å; V77-A113 HydrophobicContact CG2-CB 4.14Å; V110-A113 WeakPolarHBondContact O-CB 3.39Å; V110-A113 PolarHBondContact O-N 2.84Å; F111-A113 PolarHBondContact O-N 2.93Å; A113-S117 WeakPolarHBondContact O-CB 3.21Å; A113-S117 PolarHBondContact O-N 3.44Å; A113-S117 PolarHBondContact O-OG 3.35Å
114L89Confident82.1Confident0 Ų034.7 Ų34.70%020%0.199CC..Hα-helixtrans-69-45.1170.8-72.1175.9000111.7V110 F111 A116 S117 Y118 V126 L128 L144 L153 L175V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.13Å; V110-L114 PolarHBondContact O-N 2.94Å; F111-L114 PolarHBondContact O-N 3.17Å; F111-L114 VanDerWaalsContact O-N 3.16Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 2.84Å; L114-S117 WeakPolarHBondContact O-CB 3.45Å; L114-S117 PolarHBondContact O-N 3.34Å; L114-S117 VanDerWaalsContact O-N 3.09Å; L114-Y118 HydrophobicContact CB-CD2 4.49Å; L114-Y118 HydrophobicContact CD2-CE2 4.31Å; L114-Y118 VanDerWaalsContact O-CD2 3.29Å; L114-Y118 WeakPolarHBondContact O-CD2 3.36Å; L114-Y118 PolarHBondContact O-N 2.81Å; L114-V126 HydrophobicContact CD2-CG1 4.2Å; L114-L128 HydrophobicContact CD1-CD2 4.49Å; L114-L128 HydrophobicContact CD2-CD2 4.24Å; L114-L144 HydrophobicContact CB-CD1 3.88Å; L114-L144 HydrophobicContact CD1-CD1 4.31Å; L114-L144 HydrophobicContact CD1-CD2 3.88Å; L114-L153 HydrophobicContact CD2-CD1 3.85Å; L114-L175 HydrophobicContact CD1-CD1 3.83Å; L114-L175 HydrophobicContact CD1-CD2 4.16Å; L114-L175 HydrophobicContact CD1-CG 4.33Å
115L84.5Confident82.7Confident51 Ų5133.1 Ų33.127%0.26719%0.192SC..Hα-helixtrans-55.4-45.6172.4-67.1-178.5000111.3F111 S117 S119 V147F111-L115 HydrophobicContact CD1-CD1 4.25Å; F111-L115 HydrophobicContact CD2-CG 4.33Å; F111-L115 HydrophobicContact CE1-CD1 3.72Å; F111-L115 HydrophobicContact CE1-CG 4.31Å; F111-L115 HydrophobicContact CE2-CD1 4.22Å; F111-L115 HydrophobicContact CE2-CD2 3.87Å; F111-L115 HydrophobicContact CE2-CG 3.94Å; F111-L115 HydrophobicContact CZ-CD1 3.71Å; F111-L115 HydrophobicContact CZ-CD2 3.92Å; F111-L115 HydrophobicContact CZ-CG 3.94Å; F111-L115 WeakPolarHBondContact O-CG 3.21Å; F111-L115 PolarHBondContact O-N 3.04Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 3.28Å; L115-S119 WeakPolarHBondContact O-CB 3.33Å; L115-S119 PolarHBondContact O-N 3.11Å; L115-V147 HydrophobicContact CD2-CB 4.14Å; L115-V147 HydrophobicContact CD2-CG1 3.93Å; L115-V147 HydrophobicContact CD2-CG2 3.88Å
116A86.2Confident83.8Confident8 Ų832.4 Ų32.47%0.06619%0.185CC..Hα-helixtrans-63.4-37.1176.500000112.7I71 V77 R79 P112 L114 S119I71-A116 HydrophobicContact CD1-CB 4.02Å; I71-A116 WeakPolarHBondContact CD1-O 3.21Å; V77-A116 HydrophobicContact CG1-CB 3.74Å; R79-A116 PolarHBondContact NH1-O 2.84Å; P112-A116 WeakPolarHBondContact O-CB 3.39Å; P112-A116 PolarHBondContact O-N 3.1Å; L114-A116 VanDerWaalsContact C-N 3.29Å; L114-A116 PolarHBondContact O-N 2.84Å; A116-S119 PolarHBondContact O-OG 2.69Å
117S90.6Very high85.1Confident0 Ų026.1 Ų26.10%015%0.146CC..Hα-helixtrans-68.7-50.4178.9-60.50000111.6C34 A113 L114 L115 S119 H120C34-S117 WeakPolarHBondContact CB-OG 3.48Å; C34-S117 PolarHBondContact SG-OG 3.09Å; C34-S117 VanDerWaalsContact SG-OG 3.34Å; A113-S117 WeakPolarHBondContact O-CB 3.21Å; A113-S117 PolarHBondContact O-N 3.44Å; A113-S117 PolarHBondContact O-OG 3.35Å; L114-S117 WeakPolarHBondContact O-CB 3.45Å; L114-S117 PolarHBondContact O-N 3.34Å; L114-S117 VanDerWaalsContact O-N 3.09Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 3.28Å; S117-S119 VanDerWaalsContact C-N 3.3Å; S117-S119 PolarHBondContact O-N 3.42Å; S117-H120 PolarHBondContact O-N 3.44Å
118Y88.2Confident86.3Confident4 Ų423.6 Ų23.62%0.01613%0.129CC..Hα-helixtrans-71.6-18.1178-74.5-64.7000113.9L114 H120 V126 L144 V147 C148 R151L114-Y118 HydrophobicContact CB-CD2 4.49Å; L114-Y118 HydrophobicContact CD2-CE2 4.31Å; L114-Y118 VanDerWaalsContact O-CD2 3.29Å; L114-Y118 WeakPolarHBondContact O-CD2 3.36Å; L114-Y118 PolarHBondContact O-N 2.81Å; Y118-H120 CarbonylContact O-C 3.6Å; Y118-H120 PolarHBondContact O-N 3.25Å; Y118-H120 VanDerWaalsContact O-N 3.1Å; Y118-V126 HydrophobicContact CD1-CG2 3.65Å; Y118-V126 HydrophobicContact CD2-CG2 4.22Å; Y118-V126 HydrophobicContact CE1-CB 4.17Å; Y118-V126 HydrophobicContact CE1-CG2 3.45Å; Y118-V126 VanDerWaalsContact CE1-CG2 3.45Å; Y118-V126 HydrophobicContact CE2-CB 4.34Å; Y118-V126 HydrophobicContact CE2-CG2 4.02Å; Y118-V126 HydrophobicContact CG-CG2 4.05Å; Y118-L144 HydrophobicContact CD2-CD1 3.89Å; Y118-L144 HydrophobicContact CE2-CD1 3.94Å; Y118-V147 HydrophobicContact CG-CG1 4.36Å; Y118-C148 HydrophobicContact CE1-CB 4.27Å; Y118-C148 WeakPolarHBondContact CE2-SG 3.26Å; Y118-R151 HydrophobicContact CE1-CB 3.97Å; Y118-R151 PolarHBondContact O-NH1 3.1Å; Y118-R151 PolarHBondContact O-NH2 2.81Å; Y118-R151 PolarHBondContact OH-O 2.57Å
119S84.7Confident87.1Confident61 Ų6122.7 Ų22.743%0.42712%0.123SC..THydrogen-bonded Turntrans-60.4-15.6170.575.60000114.1R79 L115 A116 S117 V121R79-S119 PolarHBondContact NH1-OG 3.02Å; R79-S119 PolarHBondContact NH2-OG 3.07Å; L115-S119 WeakPolarHBondContact O-CB 3.33Å; L115-S119 PolarHBondContact O-N 3.11Å; A116-S119 PolarHBondContact O-OG 2.69Å; S117-S119 VanDerWaalsContact C-N 3.3Å; S117-S119 PolarHBondContact O-N 3.42Å; S119-V121 PolarHBondContact O-N 2.9Å
120H83.4Confident87.8Confident13 Ų1318.4 Ų18.46%0.0611%0.106CC..  trans-77.491.4164.4-67.3-69.6000109.5V32 N69 R79 M82 S117 Y118 D122 A123 R151V32-H120 HydrophobicContact CG2-CB 4.17Å; N69-H120 PolarHBondContact ND2-CE1 2.78Å; N69-H120 PolarHBondContact ND2-NE2 2.78Å; R79-H120 PolarHBondContact NH1-NE2 2.83Å; M82-H120 PolarHBondContact O-CE1 3.36Å; S117-H120 PolarHBondContact O-N 3.44Å; Y118-H120 CarbonylContact O-C 3.6Å; Y118-H120 PolarHBondContact O-N 3.25Å; Y118-H120 VanDerWaalsContact O-N 3.1Å; H120-D122 VanDerWaalsContact C-N 3.27Å; H120-D122 PolarHBondContact O-N 3.29Å; H120-A123 HydrophobicContact CB-CB 4.04Å; H120-A123 VanDerWaalsContact O-CB 3.3Å; H120-A123 WeakPolarHBondContact O-CB 3.14Å; H120-A123 PolarHBondContact O-N 3.06Å; H120-A123 VanDerWaalsContact O-N 3.11Å; H120-R151 PolarHBondContact O-NH1 3.23Å
121V78.8Confident87.9Confident55 Ų5519.8 Ų19.833%0.33311%0.113SC..THydrogen-bonded Turntrans-53.4-43.9-179-176.90000111.8S119 A123 R151 T409S119-V121 PolarHBondContact O-N 2.9Å; V121-A123 PolarHBondContact O-N 3.45Å; V121-A123 VanDerWaalsContact O-N 3.16Å; V121-R151 PolarHBondContact O-NH1 3.05Å; V121-T409 HydrophobicContact CG1-CG2 4.47Å
122D83.2Confident87.5Confident76 Ų7620.3 Ų20.341%0.40612%0.122SC..THydrogen-bonded Turntrans-71.6-6.1-176.5-35.1-50.8000114.2R30 L84 H120R30-D122 WeakPolarHBondContact CB-O 3.18Å; R30-D122 VanDerWaalsContact CD-O 3.23Å; R30-D122 WeakPolarHBondContact CD-O 3.5Å; R30-D122 PolarHBondContact NE-O 2.63Å; L84-D122 HydrophobicContact CD1-CB 4.11Å; H120-D122 VanDerWaalsContact C-N 3.27Å; H120-D122 PolarHBondContact O-N 3.29Å
123A86.8Confident87Confident4 Ų419.2 Ų19.23%0.03311%0.114CC..  trans-74.8136177.200000111R30 V32 L84 H120 V121 R151R30-A123 CarbonylContact O-C 3.54Å; R30-A123 WeakPolarHBondContact O-CA 3.47Å; V32-A123 HydrophobicContact CG2-CB 3.69Å; L84-A123 HydrophobicContact CD1-CB 4.31Å; H120-A123 HydrophobicContact CB-CB 4.04Å; H120-A123 VanDerWaalsContact O-CB 3.3Å; H120-A123 WeakPolarHBondContact O-CB 3.14Å; H120-A123 PolarHBondContact O-N 3.06Å; H120-A123 VanDerWaalsContact O-N 3.11Å; V121-A123 PolarHBondContact O-N 3.45Å; V121-A123 VanDerWaalsContact O-N 3.16Å; A123-R151 WeakPolarHBondContact O-CD 3.14Å; A123-R151 PolarHBondContact O-NH1 2.81Å
124E90.8Very high85.9Confident55 Ų5524.1 Ų24.126%0.25714%0.14SC..SBendtrans-85.8-34.7176.3-73166.9152.300112.5E28 S29 R30 R151 P152E28-E124 HydrophobicContact CB-CB 3.91Å; E28-E124 HydrophobicContact CG-CB 3.78Å; S29-E124 WeakPolarHBondContact CA-OE2 3.41Å; S29-E124 PolarHBondContact N-OE2 3.4Å; R30-E124 HydrophobicContact CB-CG 4.2Å; R30-E124 IonicContact CZ-OE1 2.69Å; R30-E124 IonicContact CZ-OE2 3.06Å; R30-E124 PolarHBondContact N-OE2 2.84Å; R30-E124 IonicContact NH1-OE1 3.3Å; R30-E124 PolarHBondContact NH1-OE1 3.23Å; R30-E124 IonicContact NH1-OE2 3.6Å; R30-E124 PolarHBondContact NH1-OE2 2.84Å; R30-E124 IonicContact NH2-OE1 2.63Å; R30-E124 PolarHBondContact NH2-OE1 2.84Å; R30-E124 PolarHBondContact O-N 2.88Å; E124-R151 WeakPolarHBondContact O-CB 3.3Å; E124-P152 WeakPolarHBondContact O-CD 3.48Å
125C93Very high84.2Confident1 Ų128.6 Ų28.61%0.00717%0.167CC..EExtended strand (participates in β ladder)trans-148.4160.7178.171.10000113.6E28 V32 P152 Y154E28-C125 HydrophobicContact CB-CB 4.41Å; E28-C125 HydrophobicContact CG-CB 4.01Å; V32-C125 PolarHBondContact N-O 3.3Å; C125-P152 HydrophobicContact CB-CG 3.8Å; C125-Y154 HydrophobicContact CB-CE2 4.1Å
126V94.5Very high83Confident1 Ų134.5 Ų34.51%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-116.7131.1173.8178.80000109.5V32 C34 L114 Y118 P152 L153 Y154V32-V126 HydrophobicContact CB-CG2 4.47Å; V32-V126 CarbonylContact O-C 3.58Å; V32-V126 WeakPolarHBondContact O-CA 3.33Å; C34-V126 HydrophobicContact CB-CG1 4.03Å; L114-V126 HydrophobicContact CD2-CG1 4.2Å; Y118-V126 HydrophobicContact CD1-CG2 3.65Å; Y118-V126 HydrophobicContact CD2-CG2 4.22Å; Y118-V126 HydrophobicContact CE1-CB 4.17Å; Y118-V126 HydrophobicContact CE1-CG2 3.45Å; Y118-V126 VanDerWaalsContact CE1-CG2 3.45Å; Y118-V126 HydrophobicContact CE2-CB 4.34Å; Y118-V126 HydrophobicContact CE2-CG2 4.02Å; Y118-V126 HydrophobicContact CG-CG2 4.05Å; V126-P152 PolarHBondContact N-O 2.82Å; V126-L153 HydrophobicContact CB-CD1 4.17Å; V126-L153 HydrophobicContact CG1-CD1 4.01Å; V126-L153 WeakPolarHBondContact O-CA 3.17Å; V126-Y154 PolarHBondContact O-N 3.34Å
127L95.3Very high81.5Confident1 Ų135 Ų351%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-108101.5177.2-60.788.6000108.7F23 V26 I31 V32 F33 C34 Y154F23-L127 HydrophobicContact CB-CD2 3.98Å; F23-L127 HydrophobicContact CD1-CB 4.27Å; F23-L127 HydrophobicContact CD1-CD2 3.63Å; F23-L127 HydrophobicContact CE1-CD2 4.46Å; F23-L127 HydrophobicContact CG-CD2 4.01Å; V26-L127 HydrophobicContact CG2-CD2 3.94Å; I31-L127 HydrophobicContact CB-CD1 3.83Å; I31-L127 HydrophobicContact CG2-CD1 4.38Å; V32-L127 PolarHBondContact O-N 3.11Å; F33-L127 HydrophobicContact CD1-CB 4.22Å; F33-L127 HydrophobicContact CD1-CD2 4.42Å; F33-L127 HydrophobicContact CE1-CD2 4.08Å; C34-L127 PolarHBondContact N-O 3.48Å; L127-Y154 CarbonylContact C-O 3.59Å; L127-Y154 WeakPolarHBondContact CA-O 3.09Å; L127-Y154 HydrophobicContact CD2-CD2 4.41Å; L127-Y154 HydrophobicContact CG-CD2 4.09Å
128L95Very high79.8Confident0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-89.6131.2178.9174.359.7000110.1C34 F73 V110 L114 T130 L153 Y154 L155 T156 L175C34-L128 HydrophobicContact CB-CD1 4.27Å; C34-L128 CarbonylContact O-C 3.24Å; C34-L128 VanDerWaalsContact O-CA 3.28Å; C34-L128 WeakPolarHBondContact O-CA 3.4Å; F73-L128 HydrophobicContact CE1-CD1 3.64Å; F73-L128 HydrophobicContact CZ-CD1 3.72Å; V110-L128 HydrophobicContact CG1-CD1 4.41Å; V110-L128 HydrophobicContact CG1-CD2 3.88Å; L114-L128 HydrophobicContact CD1-CD2 4.49Å; L114-L128 HydrophobicContact CD2-CD2 4.24Å; L128-T130 HydrophobicContact CG-CG2 4.44Å; L128-L153 HydrophobicContact CB-CD1 3.77Å; L128-Y154 PolarHBondContact N-O 3.44Å; L128-L155 HydrophobicContact CB-CG 4.37Å; L128-L155 HydrophobicContact CD2-CD1 4.01Å; L128-L155 HydrophobicContact CD2-CG 3.93Å; L128-L155 HydrophobicContact CG-CG 4.21Å; L128-T156 PolarHBondContact O-N 2.84Å; L128-L175 HydrophobicContact CD2-CD2 4.04Å
129V94Very high78.1Confident0 Ų045.9 Ų45.90%024%0.237CC..EExtended strand (participates in β ladder)trans-124.6125.1170.3-174.40000109I22 F23 C34 I35 D36 I48 T156 L158I22-V129 HydrophobicContact CD1-CG2 4.47Å; F23-V129 HydrophobicContact CD1-CG2 4.43Å; F23-V129 HydrophobicContact CE1-CG2 3.53Å; F23-V129 HydrophobicContact CZ-CG2 4.17Å; C34-V129 PolarHBondContact O-N 3.13Å; I35-V129 HydrophobicContact CD1-CB 3.81Å; I35-V129 HydrophobicContact CD1-CG2 3.53Å; I35-V129 HydrophobicContact CG2-CB 4.46Å; D36-V129 VanDerWaalsContact CB-O 3.27Å; D36-V129 WeakPolarHBondContact CB-O 3.42Å; D36-V129 PolarHBondContact N-O 3.24Å; I48-V129 HydrophobicContact CD1-CG1 4.13Å; V129-T156 WeakPolarHBondContact CA-O 3.28Å; V129-L158 HydrophobicContact CG1-CD1 3.83Å; V129-L158 HydrophobicContact CG1-CD2 4.42Å; V129-L158 HydrophobicContact CG1-CG 4.12Å
130T91.5Very high76.6Confident0 Ų047.1 Ų47.10%024%0.235CC..EExtended strand (participates in β ladder)trans-155.5159.9176.3177.70000110.8D36 L128 G132 L133 T156 L157 L158D36-T130 WeakPolarHBondContact OD2-CB 3.44Å; D36-T130 PolarHBondContact OD2-OG1 2.83Å; L128-T130 HydrophobicContact CG-CG2 4.44Å; T130-G132 PolarHBondContact OG1-N 2.9Å; T130-G132 VanDerWaalsContact OG1-N 3.13Å; T130-G132 PolarHBondContact OG1-O 2.83Å; T130-L133 HydrophobicContact CG2-CD2 4.13Å; T130-T156 PolarHBondContact N-O 3.29Å; T130-L157 WeakPolarHBondContact O-CA 3.39Å; T130-L158 PolarHBondContact O-N 3.25Å
131D85.8Confident75.4Confident33 Ų3346.6 Ų46.618%0.17623%0.233CC..SBendtrans-103.51.8170.778.5-15.5000114.1S40 I41 L158S40-D131 WeakPolarHBondContact CB-OD2 2.98Å; S40-D131 PolarHBondContact OG-OD1 3.24Å; S40-D131 PolarHBondContact OG-OD2 2.84Å; I41-D131 HydrophobicContact CD1-CB 4.39Å; I41-D131 HydrophobicContact CG1-CB 4.01Å; I41-D131 WeakPolarHBondContact CG1-OD1 3.46Å; D131-L158 VanDerWaalsContact CA-O 3.29Å; D131-L158 WeakPolarHBondContact CA-O 3.4Å; D131-L158 HydrophobicContact CB-CB 4.01Å; D131-L158 WeakPolarHBondContact CB-O 3.34Å
132G74.3Confident74.3Confident24 Ų2451.3 Ų51.325%0.24725%0.252CS..  trans-156.4158.4-179.600000114.4T130T130-G132 PolarHBondContact OG1-N 2.9Å; T130-G132 VanDerWaalsContact OG1-N 3.13Å; T130-G132 PolarHBondContact OG1-O 2.83Å
133L71.2Confident73.3Confident16 Ų1652.3 Ų52.38%0.08425%0.254CS..  trans-139.5133.4169.5-64.9173.9000107.4V110 T130 V168 L171 A172 L175V110-L133 HydrophobicContact CG1-CD2 4.39Å; V110-L133 HydrophobicContact CG2-CD2 3.94Å; T130-L133 HydrophobicContact CG2-CD2 4.13Å; L133-V168 HydrophobicContact CB-CG1 4.45Å; L133-L171 HydrophobicContact CB-CB 3.94Å; L133-L171 HydrophobicContact CB-CD1 4.04Å; L133-L171 HydrophobicContact CD1-CB 3.88Å; L133-L171 VanDerWaalsContact O-CD1 3.29Å; L133-L171 WeakPolarHBondContact O-CD1 3.48Å; L133-A172 VanDerWaalsContact CD1-CA 3.45Å; L133-A172 HydrophobicContact CD1-CB 3.7Å; L133-A172 VanDerWaalsContact CD1-N 3.32Å; L133-L175 HydrophobicContact CD1-CD2 4.41Å; L133-L175 HydrophobicContact CD2-CD2 4.07Å
134L64.2Low72.4Confident103 Ų10352.1 Ų52.154%0.53925%0.252SS..  trans-98.8134.8-179.6-60.6176.7000110.5K136 E137L134-K136 PolarHBondContact O-N 2.76Å; L134-E137 HydrophobicContact CB-CG 4.1Å; L134-E137 WeakPolarHBondContact CB-OE2 3.4Å; L134-E137 PolarHBondContact N-OE2 2.84Å; L134-E137 WeakPolarHBondContact O-CB 3.47Å; L134-E137 PolarHBondContact O-N 3.45Å
135T53.3Low71.3Confident95 Ų9550.6 Ų50.658%0.58325%0.248SC*.THydrogen-bonded Turntrans-57.5-26.3-178.447.60000114E137 L171T135-E137 VanDerWaalsContact C-N 3.33Å; T135-L171 HydrophobicContact CG2-CD1 4.01Å; T135-L171 HydrophobicContact CG2-CD2 4.15Å
136K57.7Low69.9Low175 Ų17553.1 Ų53.176%0.76126%0.264SS*.THydrogen-bonded Turntrans-66.2-34177.7-68.9-170.3174.8-171.40112.7L134 L138L134-K136 PolarHBondContact O-N 2.76Å; K136-L138 VanDerWaalsContact C-N 3.33Å; K136-L138 PolarHBondContact O-N 2.83Å
137E55.4Low68.8Low17 Ų1754.3 Ų54.38%0.07927%0.27CS..G310 helixtrans-67.5-34.2-172.4-59.2175.695.700111.9Y109 V110 L134 T135 Y139 E140 V141Y109-E137 WeakPolarHBondContact CA-OE1 3.09Å; Y109-E137 HydrophobicContact CD2-CG 4.45Å; V110-E137 WeakPolarHBondContact CB-OE1 3.04Å; V110-E137 WeakPolarHBondContact CG2-OE1 3.19Å; V110-E137 PolarHBondContact N-OE1 2.84Å; L134-E137 HydrophobicContact CB-CG 4.1Å; L134-E137 WeakPolarHBondContact CB-OE2 3.4Å; L134-E137 PolarHBondContact N-OE2 2.84Å; L134-E137 WeakPolarHBondContact O-CB 3.47Å; L134-E137 PolarHBondContact O-N 3.45Å; T135-E137 VanDerWaalsContact C-N 3.33Å; E137-Y139 PolarHBondContact O-N 2.84Å; E137-Y139 VanDerWaalsContact O-N 3.13Å; E137-E140 PolarHBondContact O-N 2.81Å; E137-V141 WeakPolarHBondContact O-CG2 3.45Å
138L55.8Low67.9Low36 Ų3654.2 Ų54.219%0.18827%0.27CS..G310 helixtrans-64.3-19.1-175.1-74.5-165.2000115.1K136 E140 V141 L171 K174 L175K136-L138 VanDerWaalsContact C-N 3.33Å; K136-L138 PolarHBondContact O-N 2.83Å; L138-E140 VanDerWaalsContact C-N 3.29Å; L138-E140 PolarHBondContact O-N 3.38Å; L138-V141 HydrophobicContact CD2-CB 4.47Å; L138-V141 HydrophobicContact CD2-CG2 4.16Å; L138-V141 PolarHBondContact O-N 2.92Å; L138-L171 HydrophobicContact CD1-CB 4.5Å; L138-L171 HydrophobicContact CD1-CD2 3.32Å; L138-L171 HydrophobicContact CD1-CG 4.49Å; L138-L171 HydrophobicContact CG-CD2 3.92Å; L138-K174 HydrophobicContact CD1-CB 3.8Å; L138-K174 HydrophobicContact CD1-CD 4.01Å; L138-K174 HydrophobicContact CD1-CG 4.49Å; L138-L175 HydrophobicContact CD2-CB 4.4Å; L138-L175 HydrophobicContact CD2-CD1 4.39Å
139Y51.8Low66.8Low198 Ų19854.8 Ų54.878%0.77627%0.273SS*.G310 helixtrans-68.5-29.6-179.5-72-84.3000112.5E137E137-Y139 PolarHBondContact O-N 2.84Å; E137-Y139 VanDerWaalsContact O-N 3.13Å
140E53.4Low65.7Low86 Ų8656.4 Ų56.440%0.40228%0.284SS..THydrogen-bonded Turntrans-82.2-18.9178.7-58.3175.9177.100112.2Y109 F111 E137 L138 Q142Y109-E140 PolarHBondContact OH-OE2 3.3Å; Y109-E140 VanDerWaalsContact OH-OE2 3.09Å; F111-E140 HydrophobicContact CD1-CB 3.67Å; F111-E140 VanDerWaalsContact CD1-OE2 3.24Å; F111-E140 WeakPolarHBondContact CD1-OE2 3.48Å; F111-E140 HydrophobicContact CE1-CB 3.63Å; F111-E140 HydrophobicContact CG-CB 4.3Å; F111-E140 HydrophobicContact CZ-CB 4.23Å; F111-E140 WeakPolarHBondContact CZ-O 3.38Å; E137-E140 PolarHBondContact O-N 2.81Å; L138-E140 VanDerWaalsContact C-N 3.29Å; L138-E140 PolarHBondContact O-N 3.38Å; E140-Q142 PolarHBondContact O-N 3.4Å
141V57.5Low65.3Low3 Ų357.9 Ų57.92%0.01829%0.29CS..G310 helixtrans-72-3.3-167.3-179.70000113.5F111 E137 L138 Q143 L144 L175 M178F111-V141 HydrophobicContact CB-CG2 4.42Å; F111-V141 HydrophobicContact CD2-CG2 3.81Å; F111-V141 HydrophobicContact CE2-CG2 4.43Å; F111-V141 HydrophobicContact CG-CG2 4.29Å; E137-V141 WeakPolarHBondContact O-CG2 3.45Å; L138-V141 HydrophobicContact CD2-CB 4.47Å; L138-V141 HydrophobicContact CD2-CG2 4.16Å; L138-V141 PolarHBondContact O-N 2.92Å; V141-Q143 PolarHBondContact O-N 3.4Å; V141-L144 HydrophobicContact CB-CB 4.46Å; V141-L144 HydrophobicContact CG1-CB 3.58Å; V141-L144 HydrophobicContact CG1-CD2 3.58Å; V141-L144 HydrophobicContact CG1-CG 4.22Å; V141-L144 WeakPolarHBondContact O-CB 3.37Å; V141-L144 PolarHBondContact O-N 3.45Å; V141-L175 HydrophobicContact CG1-CD1 3.78Å; V141-L175 HydrophobicContact CG2-CD1 4.48Å; V141-M178 HydrophobicContact CB-CE 3.78Å; V141-M178 HydrophobicContact CB-SD 3.96Å; V141-M178 HydrophobicContact CG1-CB 4.03Å; V141-M178 HydrophobicContact CG1-CE 3.72Å; V141-M178 HydrophobicContact CG1-CG 4.35Å; V141-M178 HydrophobicContact CG1-SD 3.46Å; V141-M178 WeakPolarHBondContact CG1-SD 3.36Å; V141-M178 WeakPolarHBondContact O-CE 3.5Å
142Q56Low65.5Low153 Ų15356.7 Ų56.772%0.71528%0.284SS*.G310 helixtrans-51.9-40.5171.7-67.8-172.8-11.900111.9E140 L144 S145E140-Q142 PolarHBondContact O-N 3.4Å; Q142-L144 VanDerWaalsContact C-N 3.28Å; Q142-L144 PolarHBondContact O-N 2.81Å; Q142-S145 PolarHBondContact O-N 2.87Å; Q142-S145 PolarHBondContact O-OG 3.04Å
143Q61.6Low66.3Low97 Ų9755.5 Ų55.545%0.45327%0.272SS..G310 helixtrans-68.6-20.7176.6-59.1-179.50.500113.8F111 V141 S145 T146 V147F111-Q143 HydrophobicContact CZ-CB 4.21Å; V141-Q143 PolarHBondContact O-N 3.4Å; Q143-S145 PolarHBondContact O-N 2.93Å; Q143-T146 VanDerWaalsContact O-CB 3.32Å; Q143-T146 WeakPolarHBondContact O-CB 3.28Å; Q143-T146 PolarHBondContact O-N 3.18Å; Q143-V147 WeakPolarHBondContact O-CG2 3.35Å; Q143-V147 PolarHBondContact O-N 3.26Å
144L68.6Low67.3Low0 Ų055.5 Ų55.50%027%0.271CS..Hα-helixtrans-62.7-35.4178.8-175.865.5000111.1F111 L114 Y118 V141 Q142 T146 V147 C148 L175 T179F111-L144 HydrophobicContact CE2-CB 4.28Å; L114-L144 HydrophobicContact CB-CD1 3.88Å; L114-L144 HydrophobicContact CD1-CD1 4.31Å; L114-L144 HydrophobicContact CD1-CD2 3.88Å; Y118-L144 HydrophobicContact CD2-CD1 3.89Å; Y118-L144 HydrophobicContact CE2-CD1 3.94Å; V141-L144 HydrophobicContact CB-CB 4.46Å; V141-L144 HydrophobicContact CG1-CB 3.58Å; V141-L144 HydrophobicContact CG1-CD2 3.58Å; V141-L144 HydrophobicContact CG1-CG 4.22Å; V141-L144 WeakPolarHBondContact O-CB 3.37Å; V141-L144 PolarHBondContact O-N 3.45Å; Q142-L144 VanDerWaalsContact C-N 3.28Å; Q142-L144 PolarHBondContact O-N 2.81Å; L144-T146 PolarHBondContact O-N 2.95Å; L144-V147 PolarHBondContact O-N 3.1Å; L144-C148 WeakPolarHBondContact O-CB 3.21Å; L144-C148 PolarHBondContact O-N 2.86Å; L144-C148 PolarHBondContact O-SG 2.84Å; L144-L175 HydrophobicContact CD2-CD1 3.52Å; L144-T179 HydrophobicContact CD2-CG2 4.44Å
145S66.7Low68.6Low24 Ų2450.7 Ų50.717%0.16825%0.246CC..Hα-helixtrans-63.5-33.2179.581.20000112.7Q142 Q143 M178 R452Q142-S145 PolarHBondContact O-N 2.87Å; Q142-S145 PolarHBondContact O-OG 3.04Å; Q143-S145 PolarHBondContact O-N 2.93Å; S145-M178 WeakPolarHBondContact CA-O 3.43Å; S145-M178 WeakPolarHBondContact CB-O 3.23Å; S145-M178 PolarHBondContact N-O 3.37Å; S145-R452 PolarHBondContact O-NH2 2.9Å; S145-R452 PolarHBondContact OG-NH1 3.36Å
146T65.1Low70.4Confident54 Ų5446.3 Ų46.333%0.33122%0.219SC..Hα-helixtrans-67.2-59.9171.3-42.10000108.6Q143 L144 C148 N149 H392Q143-T146 VanDerWaalsContact O-CB 3.32Å; Q143-T146 WeakPolarHBondContact O-CB 3.28Å; Q143-T146 PolarHBondContact O-N 3.18Å; L144-T146 PolarHBondContact O-N 2.95Å; T146-C148 VanDerWaalsContact C-N 3.3Å; T146-C148 PolarHBondContact O-N 2.64Å; T146-C148 VanDerWaalsContact O-N 3.17Å; T146-N149 PolarHBondContact O-N 2.89Å; T146-N149 VanDerWaalsContact O-N 3.14Å; T146-H392 WeakPolarHBondContact CG2-NE2 3.26Å; T146-H392 PolarHBondContact O-NE2 3.1Å; T146-H392 VanDerWaalsContact O-NE2 3.1Å
147V70.2Confident71.9Confident25 Ų2538 Ų3815%0.15218%0.183CC..Hα-helixtrans-63.8-26-172.6170.60000114.5L115 Y118 Q143 L144 N149 R151L115-V147 HydrophobicContact CD2-CB 4.14Å; L115-V147 HydrophobicContact CD2-CG1 3.93Å; L115-V147 HydrophobicContact CD2-CG2 3.88Å; Y118-V147 HydrophobicContact CG-CG1 4.36Å; Q143-V147 WeakPolarHBondContact O-CG2 3.35Å; Q143-V147 PolarHBondContact O-N 3.26Å; L144-V147 PolarHBondContact O-N 3.1Å; V147-N149 VanDerWaalsContact C-N 3.33Å; V147-N149 PolarHBondContact O-N 3.32Å; V147-R151 PolarHBondContact O-NH2 3.44Å; V147-R151 VanDerWaalsContact O-NH2 3.1Å
148C76.9Confident73.5Confident0 Ų037.2 Ų37.20%018%0.179CC..THydrogen-bonded Turntrans-63.1-33.8175.3-74.10000113.4Y118 L144 T146 S150 R151Y118-C148 HydrophobicContact CE1-CB 4.27Å; Y118-C148 WeakPolarHBondContact CE2-SG 3.26Å; L144-C148 WeakPolarHBondContact O-CB 3.21Å; L144-C148 PolarHBondContact O-N 2.86Å; L144-C148 PolarHBondContact O-SG 2.84Å; T146-C148 VanDerWaalsContact C-N 3.3Å; T146-C148 PolarHBondContact O-N 2.64Å; T146-C148 VanDerWaalsContact O-N 3.17Å; C148-S150 VanDerWaalsContact C-N 3.31Å; C148-S150 PolarHBondContact O-N 2.93Å; C148-R151 VanDerWaalsContact O-CB 3.26Å; C148-R151 WeakPolarHBondContact O-CB 3.44Å; C148-R151 WeakPolarHBondContact O-CG 3.38Å; C148-R151 PolarHBondContact O-N 3.4Å; C148-R151 PolarHBondContact O-NE 2.71Å
149N71Confident74.8Confident12 Ų1236.4 Ų36.46%0.06418%0.175CC..THydrogen-bonded Turntrans4550.2-173.2-171.36.8000113.8T146 V147 R151 G391 T393 L448 K478T146-N149 PolarHBondContact O-N 2.89Å; T146-N149 VanDerWaalsContact O-N 3.14Å; V147-N149 VanDerWaalsContact C-N 3.33Å; V147-N149 PolarHBondContact O-N 3.32Å; N149-R151 PolarHBondContact O-N 3.3Å; N149-R151 VanDerWaalsContact O-N 3.12Å; N149-G391 PolarHBondContact ND2-O 3.26Å; N149-T393 PolarHBondContact ND2-N 2.8Å; N149-T393 PolarHBondContact ND2-OG1 3.11Å; N149-T393 PolarHBondContact OD1-OG1 3.38Å; N149-L448 HydrophobicContact CB-CD1 4.33Å; N149-K478 PolarHBondContact OD1-NZ 2.85Å
150S71Confident75.8Confident33 Ų3331 Ų3123%0.23116%0.159CC..THydrogen-bonded Turntrans55.920.7-177-64.10000116.3C148 C181 L448C148-S150 VanDerWaalsContact C-N 3.31Å; C148-S150 PolarHBondContact O-N 2.93Å; S150-C181 PolarHBondContact O-SG 2.77Å; S150-L448 WeakPolarHBondContact OG-CD2 3.27Å
151R84.2Confident76.3Confident32 Ų3232.1 Ų32.112%0.12117%0.168CC..PPolyproline II helixtrans-89.1129.8175.6-64.2173.5-72.9172.91.2111.1Y118 H120 V121 A123 E124 V147 C148 N149Y118-R151 HydrophobicContact CE1-CB 3.97Å; Y118-R151 PolarHBondContact O-NH1 3.1Å; Y118-R151 PolarHBondContact O-NH2 2.81Å; Y118-R151 PolarHBondContact OH-O 2.57Å; H120-R151 PolarHBondContact O-NH1 3.23Å; V121-R151 PolarHBondContact O-NH1 3.05Å; A123-R151 WeakPolarHBondContact O-CD 3.14Å; A123-R151 PolarHBondContact O-NH1 2.81Å; E124-R151 WeakPolarHBondContact O-CB 3.3Å; V147-R151 PolarHBondContact O-NH2 3.44Å; V147-R151 VanDerWaalsContact O-NH2 3.1Å; C148-R151 VanDerWaalsContact O-CB 3.26Å; C148-R151 WeakPolarHBondContact O-CB 3.44Å; C148-R151 WeakPolarHBondContact O-CG 3.38Å; C148-R151 PolarHBondContact O-N 3.4Å; C148-R151 PolarHBondContact O-NE 2.71Å; N149-R151 PolarHBondContact O-N 3.3Å; N149-R151 VanDerWaalsContact O-N 3.12Å
152P89.1Confident76.4Confident7 Ų738.1 Ų38.15%0.04521%0.205CC..PPolyproline II helixtrans-67149.1-172.124.3-32.6000113.9E124 C125 V126 Y154 C181 K183 S184E124-P152 WeakPolarHBondContact O-CD 3.48Å; C125-P152 HydrophobicContact CB-CG 3.8Å; V126-P152 PolarHBondContact N-O 2.82Å; P152-Y154 HydrophobicContact CB-CD1 4.2Å; P152-Y154 HydrophobicContact CB-CE1 3.66Å; P152-Y154 HydrophobicContact CG-CE1 3.96Å; P152-C181 HydrophobicContact CB-CB 4.29Å; P152-C181 VanDerWaalsContact CD-SG 3.53Å; P152-K183 HydrophobicContact CB-CB 3.75Å; P152-K183 HydrophobicContact CG-CB 3.85Å; P152-K183 HydrophobicContact CG-CD 4.33Å; P152-S184 WeakPolarHBondContact CA-OG 2.94Å
153L91.2Very high76.8Confident0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-102124165.5-177.564.1000108.7L114 V126 L128 L155 L175 L176 T179 S184 R185L114-L153 HydrophobicContact CD2-CD1 3.85Å; V126-L153 HydrophobicContact CB-CD1 4.17Å; V126-L153 HydrophobicContact CG1-CD1 4.01Å; V126-L153 WeakPolarHBondContact O-CA 3.17Å; L128-L153 HydrophobicContact CB-CD1 3.77Å; L153-L155 HydrophobicContact CD2-CD1 4.37Å; L153-L155 HydrophobicContact CG-CB 4.39Å; L153-L175 HydrophobicContact CD2-CG 4.14Å; L153-L176 HydrophobicContact CB-CD2 3.98Å; L153-L176 HydrophobicContact CD2-CD2 4.09Å; L153-L176 HydrophobicContact CG-CD2 4.04Å; L153-L176 VanDerWaalsContact O-CD2 3.26Å; L153-L176 WeakPolarHBondContact O-CD2 3.46Å; L153-T179 HydrophobicContact CB-CG2 3.54Å; L153-T179 HydrophobicContact CD2-CG2 3.8Å; L153-T179 HydrophobicContact CG-CG2 4.32Å; L153-S184 PolarHBondContact N-OG 2.89Å; L153-S184 WeakPolarHBondContact O-CA 3.44Å; L153-R185 PolarHBondContact O-N 3.06Å; L153-R185 VanDerWaalsContact O-N 3.1Å
154Y92.5Very high77.1Confident16 Ų1636.3 Ų36.36%0.06320%0.195CC..EExtended strand (participates in β ladder)trans-103.792.1171.3-59.2-22.3000107.4V26 E28 C125 V126 L127 L128 P152 K183 R185V26-Y154 HydrophobicContact CG1-CE2 4.19Å; V26-Y154 HydrophobicContact CG2-CD2 4.3Å; V26-Y154 HydrophobicContact CG2-CE2 4.44Å; E28-Y154 PolarHBondContact OE1-OH 2.94Å; E28-Y154 VanDerWaalsContact OE1-OH 3.1Å; E28-Y154 VanDerWaalsContact OE2-CE2 3.31Å; E28-Y154 WeakPolarHBondContact OE2-CE2 3.44Å; E28-Y154 PolarHBondContact OE2-OH 3.21Å; C125-Y154 HydrophobicContact CB-CE2 4.1Å; V126-Y154 PolarHBondContact O-N 3.34Å; L127-Y154 CarbonylContact C-O 3.59Å; L127-Y154 WeakPolarHBondContact CA-O 3.09Å; L127-Y154 HydrophobicContact CD2-CD2 4.41Å; L127-Y154 HydrophobicContact CG-CD2 4.09Å; L128-Y154 PolarHBondContact N-O 3.44Å; P152-Y154 HydrophobicContact CB-CD1 4.2Å; P152-Y154 HydrophobicContact CB-CE1 3.66Å; P152-Y154 HydrophobicContact CG-CE1 3.96Å; Y154-K183 WeakPolarHBondContact CE1-O 3.36Å; Y154-R185 HydrophobicContact CD1-CG 3.44Å; Y154-R185 VanDerWaalsContact CD1-CG 3.44Å; Y154-R185 HydrophobicContact CE1-CG 4.05Å; Y154-R185 HydrophobicContact CG-CG 4.1Å; Y154-R185 VanDerWaalsContact CG-NE 3.33Å
155L92.2Very high77.3Confident1 Ų140.7 Ų40.71%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-90.8117.7-175.3-161.3166.4000109.5L128 L153 L157 A172 L175 L176 R185 L186 N187L128-L155 HydrophobicContact CB-CG 4.37Å; L128-L155 HydrophobicContact CD2-CD1 4.01Å; L128-L155 HydrophobicContact CD2-CG 3.93Å; L128-L155 HydrophobicContact CG-CG 4.21Å; L153-L155 HydrophobicContact CD2-CD1 4.37Å; L153-L155 HydrophobicContact CG-CB 4.39Å; L155-L157 HydrophobicContact CD2-CB 3.9Å; L155-A172 HydrophobicContact CD1-CB 4.06Å; L155-A172 HydrophobicContact CD2-CB 4.32Å; L155-L175 HydrophobicContact CD1-CD2 3.87Å; L155-L175 HydrophobicContact CD1-CG 4.42Å; L155-L176 HydrophobicContact CB-CD1 4.28Å; L155-L176 HydrophobicContact CB-CD2 4.03Å; L155-L176 HydrophobicContact CB-CG 4.26Å; L155-L176 HydrophobicContact CD1-CG 4.39Å; L155-R185 PolarHBondContact N-O 3.31Å; L155-L186 HydrophobicContact CB-CD1 4.23Å; L155-L186 HydrophobicContact CD2-CD1 3.75Å; L155-L186 HydrophobicContact CG-CD1 4.42Å; L155-N187 PolarHBondContact O-N 3.41Å
156T91Very high77.7Confident4 Ų442.9 Ų42.93%0.02523%0.229CC..EExtended strand (participates in β ladder)trans-104.1105.8173-50.40000108.5I22 L128 V129 T130 L158 N187 I189I22-T156 HydrophobicContact CB-CG2 4.35Å; L128-T156 PolarHBondContact O-N 2.84Å; V129-T156 WeakPolarHBondContact CA-O 3.28Å; T130-T156 PolarHBondContact N-O 3.29Å; T156-L158 HydrophobicContact CG2-CD2 4Å; T156-N187 WeakPolarHBondContact CA-O 3.26Å; T156-N187 HydrophobicContact CG2-CB 4.48Å; T156-I189 HydrophobicContact CG2-CD1 3.57Å; T156-I189 HydrophobicContact CG2-CG1 4.03Å
157L89Confident78.3Confident0 Ų048.9 Ų48.90%025%0.246CC..EExtended strand (participates in β ladder)trans-94.6120.6179.2-179.963.5000109.5T130 L155 I159 V168 I169 A172 L186 N187 V188 I189T130-L157 WeakPolarHBondContact O-CA 3.39Å; L155-L157 HydrophobicContact CD2-CB 3.9Å; L157-I159 HydrophobicContact CD2-CD1 3.87Å; L157-I159 HydrophobicContact CD2-CG1 4.31Å; L157-I159 HydrophobicContact CG-CD1 4.05Å; L157-I159 HydrophobicContact CG-CG1 3.96Å; L157-V168 HydrophobicContact CD1-CG1 3.77Å; L157-V168 HydrophobicContact CD2-CB 4.45Å; L157-V168 HydrophobicContact CD2-CG1 3.8Å; L157-V168 HydrophobicContact CG-CG1 4.41Å; L157-I169 HydrophobicContact CD2-CG1 4.35Å; L157-A172 HydrophobicContact CD2-CB 4.39Å; L157-L186 HydrophobicContact CB-CD1 4.31Å; L157-N187 PolarHBondContact N-O 3.13Å; L157-V188 HydrophobicContact CB-CG2 4.34Å; L157-V188 WeakPolarHBondContact O-CA 3.41Å; L157-I189 PolarHBondContact O-N 3.49Å
158L87.9Confident78.7Confident1 Ų149 Ų491%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-95.1133.7179.7-48.6-179.3000110V44 I48 V129 T130 D131 T156 I189 I191V44-L158 HydrophobicContact CG2-CD1 4.01Å; I48-L158 HydrophobicContact CD1-CD1 3.74Å; I48-L158 HydrophobicContact CG1-CD1 4.34Å; V129-L158 HydrophobicContact CG1-CD1 3.83Å; V129-L158 HydrophobicContact CG1-CD2 4.42Å; V129-L158 HydrophobicContact CG1-CG 4.12Å; T130-L158 PolarHBondContact O-N 3.25Å; D131-L158 VanDerWaalsContact CA-O 3.29Å; D131-L158 WeakPolarHBondContact CA-O 3.4Å; D131-L158 HydrophobicContact CB-CB 4.01Å; D131-L158 WeakPolarHBondContact CB-O 3.34Å; T156-L158 HydrophobicContact CG2-CD2 4Å; L158-I189 WeakPolarHBondContact CA-O 3.42Å; L158-I189 HydrophobicContact CD2-CB 3.96Å; L158-I189 HydrophobicContact CD2-CD1 4.41Å; L158-I189 HydrophobicContact CD2-CG2 4.45Å; L158-I191 HydrophobicContact CB-CD1 3.79Å; L158-I191 HydrophobicContact CB-CG1 4.14Å
159I83.2Confident78.8Confident18 Ų1849 Ų499%0.09225%0.246CC..EExtended strand (participates in β ladder)trans-136.1119.8-170.6-56.7-172.7000111.1L157 N161 P164 V188 I189 T190 I191L157-I159 HydrophobicContact CD2-CD1 3.87Å; L157-I159 HydrophobicContact CD2-CG1 4.31Å; L157-I159 HydrophobicContact CG-CD1 4.05Å; L157-I159 HydrophobicContact CG-CG1 3.96Å; I159-N161 HydrophobicContact CG2-CB 4.42Å; I159-N161 WeakPolarHBondContact CG2-O 3.42Å; I159-N161 PolarHBondContact O-N 3.35Å; I159-P164 HydrophobicContact CD1-CB 3.5Å; I159-P164 VanDerWaalsContact CD1-CB 3.5Å; I159-P164 HydrophobicContact CG2-CB 4.27Å; I159-V188 HydrophobicContact CD1-CG1 3.61Å; I159-V188 HydrophobicContact CG1-CG1 4.23Å; I159-I189 PolarHBondContact N-O 3.06Å; I159-T190 CarbonylContact O-C 3.58Å; I159-T190 VanDerWaalsContact O-CA 3.32Å; I159-T190 WeakPolarHBondContact O-CA 3.46Å; I159-I191 PolarHBondContact O-N 3.48Å
160N73.4Confident79.1Confident85 Ų8551 Ų5146%0.45526%0.255SS..SBendtrans-74.9-3.6-179.2-66.7-63.7000115.1I191N160-I191 VanDerWaalsContact OD1-CD1 3.28Å; N160-I191 WeakPolarHBondContact OD1-CD1 3.37Å
161N64.8Low79.5Confident109 Ų10950 Ų5058%0.58325%0.247SC*.SBendtrans-120.2141.4-175.1-70.7-7.7000111.3I159 K163I159-N161 HydrophobicContact CG2-CB 4.42Å; I159-N161 WeakPolarHBondContact CG2-O 3.42Å; I159-N161 PolarHBondContact O-N 3.35Å; N161-K163 WeakPolarHBondContact CB-O 3.32Å; N161-K163 PolarHBondContact O-N 3.11Å
162V59.4Low79.5Confident130 Ų13048.5 Ų48.579%0.78824%0.242SC*.SBendtrans-59.6-34172.9-176.80000112.1
163K64.3Low79.1Confident183 Ų18348.2 Ų48.280%0.79624%0.24SC*.SBendtrans-98.3110.6171.4-67.8-176.9179.6178.90109N161N161-K163 WeakPolarHBondContact CB-O 3.32Å; N161-K163 PolarHBondContact O-N 3.11Å
164P67.6Low78.4Confident28 Ų2850.5 Ų50.518%0.18225%0.249CC..  trans-70.7150.9-179.931.3-36.3000111.1I159 N166 I169 L228I159-P164 HydrophobicContact CD1-CB 3.5Å; I159-P164 VanDerWaalsContact CD1-CB 3.5Å; I159-P164 HydrophobicContact CG2-CB 4.27Å; P164-N166 PolarHBondContact O-N 2.88Å; P164-I169 HydrophobicContact CB-CD1 3.66Å; P164-I169 HydrophobicContact CB-CG1 4.45Å; P164-I169 HydrophobicContact CG-CD1 3.71Å; P164-L228 HydrophobicContact CG-CD2 3.67Å
165N73.4Confident77.9Confident92 Ų9249.9 Ų49.949%0.49225%0.247SC..  trans-77.8109.6177.7-179.7-5.9000109.6R167 V168 I169N165-R167 PolarHBondContact O-N 3.37Å; N165-R167 WeakPolarHBondContact OD1-CB 3.05Å; N165-R167 PolarHBondContact OD1-N 2.85Å; N165-V168 HydrophobicContact CB-CB 4.49Å; N165-V168 HydrophobicContact CB-CG2 3.96Å; N165-V168 PolarHBondContact O-N 3.24Å; N165-I169 PolarHBondContact O-N 3.17Å
166N74.6Confident77.4Confident71 Ų7149.9 Ų49.938%0.3825%0.247SC..Hα-helixtrans-48.5-34.7179-69.616000113P164 I169 E170 F221P164-N166 PolarHBondContact O-N 2.88Å; N166-I169 PolarHBondContact O-N 3.12Å; N166-E170 VanDerWaalsContact O-CB 3.31Å; N166-E170 WeakPolarHBondContact O-CB 3.14Å; N166-E170 PolarHBondContact O-N 3.1Å; N166-F221 HydrophobicContact CB-CZ 4.4Å; N166-F221 WeakPolarHBondContact O-CE2 3.14Å
167R76.6Confident76.7Confident180 Ų18050 Ų5068%0.67925%0.248SC*.Hα-helixtrans-66.3-36.8176.9-64.6-174.7179.7-173-0.4113.1N165 E170 L171N165-R167 PolarHBondContact O-N 3.37Å; N165-R167 WeakPolarHBondContact OD1-CB 3.05Å; N165-R167 PolarHBondContact OD1-N 2.85Å; R167-E170 WeakPolarHBondContact O-CB 3.27Å; R167-E170 PolarHBondContact O-N 2.72Å; R167-L171 VanDerWaalsContact O-CG 3.22Å; R167-L171 WeakPolarHBondContact O-CG 3.06Å; R167-L171 PolarHBondContact O-N 3.46Å
168V79.2Confident76Confident26 Ų2652.4 Ų52.416%0.15826%0.259CS..Hα-helixtrans-74.1-36.9178.8-170.40000110.1L133 L157 N165 E170 L171 A172L133-V168 HydrophobicContact CB-CG1 4.45Å; L157-V168 HydrophobicContact CD1-CG1 3.77Å; L157-V168 HydrophobicContact CD2-CB 4.45Å; L157-V168 HydrophobicContact CD2-CG1 3.8Å; L157-V168 HydrophobicContact CG-CG1 4.41Å; N165-V168 HydrophobicContact CB-CB 4.49Å; N165-V168 HydrophobicContact CB-CG2 3.96Å; N165-V168 PolarHBondContact O-N 3.24Å; V168-E170 VanDerWaalsContact C-N 3.35Å; V168-L171 PolarHBondContact O-N 3.35Å; V168-A172 WeakPolarHBondContact O-CB 3.42Å; V168-A172 PolarHBondContact O-N 3.14Å
169I79.8Confident75.4Confident1 Ų152.3 Ų52.31%0.00526%0.259CS..Hα-helixtrans-62.6-40170.1-71.9-176.7000111.5L157 P164 N165 N166 A172 S173 V224 L228L157-I169 HydrophobicContact CD2-CG1 4.35Å; P164-I169 HydrophobicContact CB-CD1 3.66Å; P164-I169 HydrophobicContact CB-CG1 4.45Å; P164-I169 HydrophobicContact CG-CD1 3.71Å; N165-I169 PolarHBondContact O-N 3.17Å; N166-I169 PolarHBondContact O-N 3.12Å; I169-A172 PolarHBondContact O-N 3.18Å; I169-S173 VanDerWaalsContact O-CB 3.3Å; I169-S173 WeakPolarHBondContact O-CB 3.43Å; I169-S173 PolarHBondContact O-N 2.76Å; I169-S173 PolarHBondContact O-OG 3.35Å; I169-V224 HydrophobicContact CG2-CG1 3.18Å; I169-L228 HydrophobicContact CD1-CD1 4.49Å; I169-L228 HydrophobicContact CD1-CD2 4.07Å
170E77.1Confident74.8Confident53 Ų5352.9 Ų52.925%0.24826%0.264CS..Hα-helixtrans-61-46.9174.5-169.2-165.6151.500111.7N166 R167 V168 S173 K174 F221N166-E170 VanDerWaalsContact O-CB 3.31Å; N166-E170 WeakPolarHBondContact O-CB 3.14Å; N166-E170 PolarHBondContact O-N 3.1Å; R167-E170 WeakPolarHBondContact O-CB 3.27Å; R167-E170 PolarHBondContact O-N 2.72Å; V168-E170 VanDerWaalsContact C-N 3.35Å; E170-S173 PolarHBondContact O-N 3.18Å; E170-K174 HydrophobicContact CG-CD 4.28Å; E170-K174 WeakPolarHBondContact O-CB 3.3Å; E170-K174 WeakPolarHBondContact O-CG 3.23Å; E170-K174 PolarHBondContact O-N 3.36Å; E170-K174 IonicContact OE1-NZ 3.16Å; E170-K174 PolarHBondContact OE1-NZ 3.42Å; E170-F221 VanDerWaalsContact CA-CD2 3.48Å; E170-F221 HydrophobicContact CB-CD2 3.59Å; E170-F221 HydrophobicContact CB-CE2 3.56Å; E170-F221 HydrophobicContact CB-CG 4.14Å; E170-F221 HydrophobicContact CB-CZ 4.09Å; E170-F221 HydrophobicContact CG-CB 4.39Å; E170-F221 HydrophobicContact CG-CD1 4.08Å; E170-F221 HydrophobicContact CG-CD2 3.83Å; E170-F221 HydrophobicContact CG-CE1 4.29Å; E170-F221 HydrophobicContact CG-CE2 4.04Å; E170-F221 HydrophobicContact CG-CG 3.83Å; E170-F221 HydrophobicContact CG-CZ 4.26Å
171L79.1Confident74.8Confident14 Ų1449.3 Ų49.37%0.07325%0.246CC..Hα-helixtrans-63.9-42.5176.6-66.5171.8000111.7L133 T135 L138 R167 V168 K174 L175L133-L171 HydrophobicContact CB-CB 3.94Å; L133-L171 HydrophobicContact CB-CD1 4.04Å; L133-L171 HydrophobicContact CD1-CB 3.88Å; L133-L171 VanDerWaalsContact O-CD1 3.29Å; L133-L171 WeakPolarHBondContact O-CD1 3.48Å; T135-L171 HydrophobicContact CG2-CD1 4.01Å; T135-L171 HydrophobicContact CG2-CD2 4.15Å; L138-L171 HydrophobicContact CD1-CB 4.5Å; L138-L171 HydrophobicContact CD1-CD2 3.32Å; L138-L171 HydrophobicContact CD1-CG 4.49Å; L138-L171 HydrophobicContact CG-CD2 3.92Å; R167-L171 VanDerWaalsContact O-CG 3.22Å; R167-L171 WeakPolarHBondContact O-CG 3.06Å; R167-L171 PolarHBondContact O-N 3.46Å; V168-L171 PolarHBondContact O-N 3.35Å; L171-K174 PolarHBondContact O-N 3.47Å; L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 PolarHBondContact O-N 3.16Å
172A84.5Confident75.1Confident0 Ų047.5 Ų47.50%024%0.242CC..Hα-helixtrans-65.9-40.2177.300000111.8L133 L155 L157 V168 I169 L175 L176 L186L133-A172 VanDerWaalsContact CD1-CA 3.45Å; L133-A172 HydrophobicContact CD1-CB 3.7Å; L133-A172 VanDerWaalsContact CD1-N 3.32Å; L155-A172 HydrophobicContact CD1-CB 4.06Å; L155-A172 HydrophobicContact CD2-CB 4.32Å; L157-A172 HydrophobicContact CD2-CB 4.39Å; V168-A172 WeakPolarHBondContact O-CB 3.42Å; V168-A172 PolarHBondContact O-N 3.14Å; I169-A172 PolarHBondContact O-N 3.18Å; A172-L175 PolarHBondContact O-N 3.16Å; A172-L176 WeakPolarHBondContact O-CB 3.36Å; A172-L176 WeakPolarHBondContact O-CD1 3.3Å; A172-L176 WeakPolarHBondContact O-CG 3.48Å; A172-L176 PolarHBondContact O-N 2.71Å; A172-L186 HydrophobicContact CB-CD1 3.78Å; A172-L186 HydrophobicContact CB-CD2 4.18Å
173S79.7Confident76.1Confident1 Ų145.1 Ų45.11%0.00722%0.221CC..Hα-helixtrans-61.6-46.9173.7-58.70000111.1I169 E170 L176 M177I169-S173 VanDerWaalsContact O-CB 3.3Å; I169-S173 WeakPolarHBondContact O-CB 3.43Å; I169-S173 PolarHBondContact O-N 2.76Å; I169-S173 PolarHBondContact O-OG 3.35Å; E170-S173 PolarHBondContact O-N 3.18Å; S173-L176 PolarHBondContact O-N 3.04Å; S173-M177 WeakPolarHBondContact O-CG 3.39Å; S173-M177 PolarHBondContact O-N 3.3Å
174K77.4Confident77.1Confident47 Ų4736.4 Ų36.420%0.20418%0.183CC..Hα-helixtrans-58.3-49.2175-80.2167175.9179.80111.7L138 E170 L171 L176 M177 M178 P217L138-K174 HydrophobicContact CD1-CB 3.8Å; L138-K174 HydrophobicContact CD1-CD 4.01Å; L138-K174 HydrophobicContact CD1-CG 4.49Å; E170-K174 HydrophobicContact CG-CD 4.28Å; E170-K174 WeakPolarHBondContact O-CB 3.3Å; E170-K174 WeakPolarHBondContact O-CG 3.23Å; E170-K174 PolarHBondContact O-N 3.36Å; E170-K174 IonicContact OE1-NZ 3.16Å; E170-K174 PolarHBondContact OE1-NZ 3.42Å; L171-K174 PolarHBondContact O-N 3.47Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 3.02Å; K174-M177 PolarHBondContact O-N 2.74Å; K174-M177 VanDerWaalsContact O-N 3.12Å; K174-M178 WeakPolarHBondContact O-CG 3.49Å; K174-M178 PolarHBondContact O-N 2.94Å; K174-P217 HydrophobicContact CG-CB 3.66Å
175L82.2Confident78Confident4 Ų436.8 Ų36.82%0.02118%0.181CC..Hα-helixtrans-59.8-40.9179.3-173.658.1000112.3V110 L114 L128 L133 L138 V141 L144 L153 L155 L171 A172 M178V110-L175 HydrophobicContact CG1-CD2 4.31Å; L114-L175 HydrophobicContact CD1-CD1 3.83Å; L114-L175 HydrophobicContact CD1-CD2 4.16Å; L114-L175 HydrophobicContact CD1-CG 4.33Å; L128-L175 HydrophobicContact CD2-CD2 4.04Å; L133-L175 HydrophobicContact CD1-CD2 4.41Å; L133-L175 HydrophobicContact CD2-CD2 4.07Å; L138-L175 HydrophobicContact CD2-CB 4.4Å; L138-L175 HydrophobicContact CD2-CD1 4.39Å; V141-L175 HydrophobicContact CG1-CD1 3.78Å; V141-L175 HydrophobicContact CG2-CD1 4.48Å; L144-L175 HydrophobicContact CD2-CD1 3.52Å; L153-L175 HydrophobicContact CD2-CG 4.14Å; L155-L175 HydrophobicContact CD1-CD2 3.87Å; L155-L175 HydrophobicContact CD1-CG 4.42Å; L171-L175 WeakPolarHBondContact O-CB 3.36Å; L171-L175 PolarHBondContact O-N 3.16Å; A172-L175 PolarHBondContact O-N 3.16Å; L175-M178 PolarHBondContact O-N 1.94Å
176L81.8Confident78.6Confident1 Ų132.5 Ų32.51%0.00516%0.158CC..Hα-helixtrans-65.4-41.1173.7-74.4163.1000112.4L153 L155 A172 S173 K174 M178 T179 R185 L186L153-L176 HydrophobicContact CB-CD2 3.98Å; L153-L176 HydrophobicContact CD2-CD2 4.09Å; L153-L176 HydrophobicContact CG-CD2 4.04Å; L153-L176 VanDerWaalsContact O-CD2 3.26Å; L153-L176 WeakPolarHBondContact O-CD2 3.46Å; L155-L176 HydrophobicContact CB-CD1 4.28Å; L155-L176 HydrophobicContact CB-CD2 4.03Å; L155-L176 HydrophobicContact CB-CG 4.26Å; L155-L176 HydrophobicContact CD1-CG 4.39Å; A172-L176 WeakPolarHBondContact O-CB 3.36Å; A172-L176 WeakPolarHBondContact O-CD1 3.3Å; A172-L176 WeakPolarHBondContact O-CG 3.48Å; A172-L176 PolarHBondContact O-N 2.71Å; S173-L176 PolarHBondContact O-N 3.04Å; K174-L176 VanDerWaalsContact C-N 3.33Å; K174-L176 PolarHBondContact O-N 3.02Å; L176-M178 VanDerWaalsContact C-N 3.29Å; L176-M178 PolarHBondContact O-N 2.81Å; L176-T179 WeakPolarHBondContact O-CB 3.24Å; L176-T179 PolarHBondContact O-N 2.98Å; L176-T179 VanDerWaalsContact O-N 3.08Å; L176-T179 PolarHBondContact O-OG1 2.94Å; L176-R185 WeakPolarHBondContact CD2-O 3.32Å; L176-L186 HydrophobicContact CD1-CB 3.5Å; L176-L186 VanDerWaalsContact CD1-CB 3.5Å; L176-L186 HydrophobicContact CD1-CD1 4.03Å; L176-L186 HydrophobicContact CD1-CG 4.21Å
177M75.1Confident79.1Confident7 Ų730.1 Ų30.13%0.03415%0.145CC..Hα-helixtrans-63.5-34.7175.8-68.5-5688.300113.1S173 K174 T179 C180 V209 Y214 C220S173-M177 WeakPolarHBondContact O-CG 3.39Å; S173-M177 PolarHBondContact O-N 3.3Å; K174-M177 PolarHBondContact O-N 2.74Å; K174-M177 VanDerWaalsContact O-N 3.12Å; M177-T179 PolarHBondContact O-N 3.29Å; M177-C180 PolarHBondContact O-N 2.74Å; M177-C180 VanDerWaalsContact O-N 3.08Å; M177-C180 PolarHBondContact O-SG 3.12Å; M177-V209 HydrophobicContact CE-CB 3.56Å; M177-V209 HydrophobicContact CE-CG1 3.46Å; M177-V209 VanDerWaalsContact CE-CG1 3.46Å; M177-V209 HydrophobicContact CE-CG2 3.78Å; M177-V209 HydrophobicContact SD-CG1 3.91Å; M177-Y214 HydrophobicContact CE-CD1 3.66Å; M177-Y214 HydrophobicContact CE-CE1 3.64Å; M177-Y214 HydrophobicContact SD-CD1 3.46Å; M177-Y214 WeakPolarHBondContact SD-CD1 3.39Å; M177-Y214 HydrophobicContact SD-CE1 4.07Å; M177-Y214 HydrophobicContact SD-CG 4.36Å; M177-C220 HydrophobicContact CG-CB 3.62Å; M177-C220 HydrophobicContact SD-CB 3.8Å
178M74Confident79.3Confident49 Ų4921.7 Ų21.724%0.24111%0.114CC..THydrogen-bonded Turntrans-68.8-11.2175.7-64.1173.293.700112.9V141 S145 K174 L175 L176V141-M178 HydrophobicContact CB-CE 3.78Å; V141-M178 HydrophobicContact CB-SD 3.96Å; V141-M178 HydrophobicContact CG1-CB 4.03Å; V141-M178 HydrophobicContact CG1-CE 3.72Å; V141-M178 HydrophobicContact CG1-CG 4.35Å; V141-M178 HydrophobicContact CG1-SD 3.46Å; V141-M178 WeakPolarHBondContact CG1-SD 3.36Å; V141-M178 WeakPolarHBondContact O-CE 3.5Å; S145-M178 WeakPolarHBondContact CA-O 3.43Å; S145-M178 WeakPolarHBondContact CB-O 3.23Å; S145-M178 PolarHBondContact N-O 3.37Å; K174-M178 WeakPolarHBondContact O-CG 3.49Å; K174-M178 PolarHBondContact O-N 2.94Å; L175-M178 PolarHBondContact O-N 1.94Å; L176-M178 VanDerWaalsContact C-N 3.29Å; L176-M178 PolarHBondContact O-N 2.81Å
179T76.5Confident79.4Confident0 Ų020.5 Ų20.50%011%0.106CC..THydrogen-bonded Turntrans-83.6-1817172.70000114L144 L153 L176 M177 C181 S184L144-T179 HydrophobicContact CD2-CG2 4.44Å; L153-T179 HydrophobicContact CB-CG2 3.54Å; L153-T179 HydrophobicContact CD2-CG2 3.8Å; L153-T179 HydrophobicContact CG-CG2 4.32Å; L176-T179 WeakPolarHBondContact O-CB 3.24Å; L176-T179 PolarHBondContact O-N 2.98Å; L176-T179 VanDerWaalsContact O-N 3.08Å; L176-T179 PolarHBondContact O-OG1 2.94Å; M177-T179 PolarHBondContact O-N 3.29Å; T179-C181 VanDerWaalsContact C-N 3.26Å; T179-C181 PolarHBondContact O-N 3.21Å; T179-C181 VanDerWaalsContact O-N 3.15Å; T179-S184 PolarHBondContact OG1-OG 3.13Å
180C69.8Low79.2Confident30 Ų3021.5 Ų21.520%0.20311%0.112CC..  trans48.836.6177.4-55.90000115.5M177M177-C180 PolarHBondContact O-N 2.74Å; M177-C180 VanDerWaalsContact O-N 3.08Å; M177-C180 PolarHBondContact O-SG 3.12Å
181C74.3Confident79.2Confident9 Ų919.2 Ų19.26%0.06110%0.102CC..  trans-117.2131.3-177.6-178.30000113.1S150 P152 T179 K183 S184 Y214S150-C181 PolarHBondContact O-SG 2.77Å; P152-C181 HydrophobicContact CB-CB 4.29Å; P152-C181 VanDerWaalsContact CD-SG 3.53Å; T179-C181 VanDerWaalsContact C-N 3.26Å; T179-C181 PolarHBondContact O-N 3.21Å; T179-C181 VanDerWaalsContact O-N 3.15Å; C181-K183 PolarHBondContact O-N 2.91Å; C181-S184 WeakPolarHBondContact O-CB 3.2Å; C181-S184 PolarHBondContact O-N 2.67Å; C181-Y214 VanDerWaalsContact C-CE2 3.5Å; C181-Y214 PolarHBondContact O-OH 3.17Å; C181-Y214 VanDerWaalsContact O-OH 3.09Å
182S71.4Confident78.8Confident71 Ų7120 Ų2050%0.49711%0.11SC..THydrogen-bonded Turntrans-56.6-17.5-179.9580000115.7Y214S182-Y214 WeakPolarHBondContact CA-OH 3.42Å
183K80.8Confident77.9Confident80 Ų8023.1 Ų23.135%0.34813%0.129SC..THydrogen-bonded Turntrans-100.7-14.8-178.6-62.9176.2179.6-176.70113.2E28 P152 Y154 C181E28-K183 IonicContact OE1-NZ 3.71Å; P152-K183 HydrophobicContact CB-CB 3.75Å; P152-K183 HydrophobicContact CG-CB 3.85Å; P152-K183 HydrophobicContact CG-CD 4.33Å; Y154-K183 WeakPolarHBondContact CE1-O 3.36Å; C181-K183 PolarHBondContact O-N 2.91Å
184S85.1Confident76.8Confident1 Ų127.4 Ų27.41%0.00716%0.159CC..  trans-59.1140.4-176.4-72.60000112P152 L153 T179 C181P152-S184 WeakPolarHBondContact CA-OG 2.94Å; L153-S184 PolarHBondContact N-OG 2.89Å; L153-S184 WeakPolarHBondContact O-CA 3.44Å; T179-S184 PolarHBondContact OG1-OG 3.13Å; C181-S184 WeakPolarHBondContact O-CB 3.2Å; C181-S184 PolarHBondContact O-N 2.67Å
185R86.3Confident75.7Confident36 Ų3627.4 Ų27.414%0.13617%0.173CC..EExtended strand (participates in β ladder)trans-145.1148.6-173.549.7167.8165.6-168.7-9.6112.9D25 L153 Y154 L155 L176 I207D25-R185 PolarHBondContact O-NH1 3.21Å; D25-R185 PolarHBondContact O-NH2 3.14Å; L153-R185 PolarHBondContact O-N 3.06Å; L153-R185 VanDerWaalsContact O-N 3.1Å; Y154-R185 HydrophobicContact CD1-CG 3.44Å; Y154-R185 VanDerWaalsContact CD1-CG 3.44Å; Y154-R185 HydrophobicContact CE1-CG 4.05Å; Y154-R185 HydrophobicContact CG-CG 4.1Å; Y154-R185 VanDerWaalsContact CG-NE 3.33Å; L155-R185 PolarHBondContact N-O 3.31Å; L176-R185 WeakPolarHBondContact CD2-O 3.32Å; R185-I207 CarbonylContact C-O 3.55Å; R185-I207 WeakPolarHBondContact CA-O 3.2Å; R185-I207 WeakPolarHBondContact CB-O 3.43Å
186L86Confident73.7Confident1 Ų131 Ų311%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-102.5125168.6-170.153.6000108.9L155 L157 A172 L176 V188 W205 S206 I207L155-L186 HydrophobicContact CB-CD1 4.23Å; L155-L186 HydrophobicContact CD2-CD1 3.75Å; L155-L186 HydrophobicContact CG-CD1 4.42Å; L157-L186 HydrophobicContact CB-CD1 4.31Å; A172-L186 HydrophobicContact CB-CD1 3.78Å; A172-L186 HydrophobicContact CB-CD2 4.18Å; L176-L186 HydrophobicContact CD1-CB 3.5Å; L176-L186 VanDerWaalsContact CD1-CB 3.5Å; L176-L186 HydrophobicContact CD1-CD1 4.03Å; L176-L186 HydrophobicContact CD1-CG 4.21Å; L186-V188 HydrophobicContact CD2-CG2 4.48Å; L186-V188 HydrophobicContact CG-CG2 4.2Å; L186-W205 HydrophobicContact CB-CZ3 4.32Å; L186-W205 HydrophobicContact CD2-CH2 3.92Å; L186-W205 HydrophobicContact CD2-CZ3 3.71Å; L186-W205 HydrophobicContact CG-CH2 4.48Å; L186-W205 HydrophobicContact CG-CZ3 3.84Å; L186-S206 CarbonylContact O-C 3.6Å; L186-S206 WeakPolarHBondContact O-CA 3.42Å; L186-I207 PolarHBondContact N-O 2.83Å; L186-I207 PolarHBondContact O-N 2.85Å
187N84.8Confident71.7Confident22 Ų2238.4 Ų38.412%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-111.3133.5165.5-169.923.5000108.3I22 L155 T156 L157 W205I22-N187 PolarHBondContact O-ND2 3.34Å; L155-N187 PolarHBondContact O-N 3.41Å; T156-N187 WeakPolarHBondContact CA-O 3.26Å; T156-N187 HydrophobicContact CG2-CB 4.48Å; L157-N187 PolarHBondContact N-O 3.13Å; N187-W205 PolarHBondContact OD1-O 2.77Å
188V81.3Confident70.7Confident3 Ų340 Ų402%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-118.1123.6177.6170.60000109.5L157 I159 L186 W205L157-V188 HydrophobicContact CB-CG2 4.34Å; L157-V188 WeakPolarHBondContact O-CA 3.41Å; I159-V188 HydrophobicContact CD1-CG1 3.61Å; I159-V188 HydrophobicContact CG1-CG1 4.23Å; L186-V188 HydrophobicContact CD2-CG2 4.48Å; L186-V188 HydrophobicContact CG-CG2 4.2Å; V188-W205 HydrophobicContact CB-CE3 3.76Å; V188-W205 HydrophobicContact CB-CZ3 4.15Å; V188-W205 HydrophobicContact CG2-CE3 3.62Å; V188-W205 HydrophobicContact CG2-CZ3 3.46Å; V188-W205 VanDerWaalsContact CG2-CZ3 3.46Å; V188-W205 PolarHBondContact N-O 2.81Å
189I81.3Confident69.7Low1 Ų142.9 Ų42.91%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-121.7124.8-175.7-56-173000108.8I22 T156 L157 L158 I159 L200 S201I22-I189 HydrophobicContact CB-CD1 3.47Å; I22-I189 VanDerWaalsContact CB-CD1 3.47Å; I22-I189 HydrophobicContact CG2-CD1 3.51Å; T156-I189 HydrophobicContact CG2-CD1 3.57Å; T156-I189 HydrophobicContact CG2-CG1 4.03Å; L157-I189 PolarHBondContact O-N 3.49Å; L158-I189 WeakPolarHBondContact CA-O 3.42Å; L158-I189 HydrophobicContact CD2-CB 3.96Å; L158-I189 HydrophobicContact CD2-CD1 4.41Å; L158-I189 HydrophobicContact CD2-CG2 4.45Å; I159-I189 PolarHBondContact N-O 3.06Å; I189-L200 HydrophobicContact CG2-CB 4.01Å; I189-L200 HydrophobicContact CG2-CD2 4.48Å; I189-S201 WeakPolarHBondContact CG2-O 3.39Å
190T75.9Confident69Low21 Ų2144 Ų4413%0.12926%0.258CS..EExtended strand (participates in β ladder)trans-84.5126.1176.4-62.80000109.8I159 S201 I203I159-T190 CarbonylContact O-C 3.58Å; I159-T190 VanDerWaalsContact O-CA 3.32Å; I159-T190 WeakPolarHBondContact O-CA 3.46Å; T190-S201 PolarHBondContact N-O 3.41Å; T190-S201 VanDerWaalsContact N-O 3.1Å; T190-S201 PolarHBondContact O-N 2.93Å; T190-I203 WeakPolarHBondContact OG1-CD1 3.34Å
191I76.5Confident68.3Low6 Ų644.3 Ų44.33%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-87114.2170.5-49.7162.6000107.1V44 L158 I159 N160 V193 V198 L200V44-I191 HydrophobicContact CG1-CB 4.43Å; V44-I191 HydrophobicContact CG1-CD1 3.73Å; V44-I191 HydrophobicContact CG1-CG1 4Å; V44-I191 HydrophobicContact CG1-CG2 3.55Å; L158-I191 HydrophobicContact CB-CD1 3.79Å; L158-I191 HydrophobicContact CB-CG1 4.14Å; I159-I191 PolarHBondContact O-N 3.48Å; N160-I191 VanDerWaalsContact OD1-CD1 3.28Å; N160-I191 WeakPolarHBondContact OD1-CD1 3.37Å; I191-V193 HydrophobicContact CG2-CG2 3.67Å; I191-V198 HydrophobicContact CG2-CG1 4.15Å; I191-L200 HydrophobicContact CB-CD2 4.28Å; I191-L200 HydrophobicContact CG1-CD2 3.79Å; I191-L200 HydrophobicContact CG2-CD2 4.19Å
192A69.3Low67.2Low30 Ų3047.3 Ų47.325%0.24828%0.28CS..EExtended strand (participates in β ladder)trans-100.3127.5161.900000108.6Q199A192-Q199 HydrophobicContact CB-CB 4.32Å; A192-Q199 PolarHBondContact N-O 3.05Å; A192-Q199 PolarHBondContact O-N 3.13Å
193V65.7Low66.1Low66 Ų6646.4 Ų46.440%0.427%0.269SS..EExtended strand (participates in β ladder)trans-117.2119.3177-172.30000108.8I191 F197 V198I191-V193 HydrophobicContact CG2-CG2 3.67Å; V193-F197 WeakPolarHBondContact CA-O 3.41Å; V193-V198 HydrophobicContact CG1-CG2 4.34Å; V193-V198 HydrophobicContact CG2-CG2 4.38Å
194S56.6Low64.7Low91 Ų9148.5 Ų48.564%0.63628%0.28SS*.EExtended strand (participates in β ladder)trans-122100.9175.9-169.60000108.9C196 F197S194-C196 PolarHBondContact O-N 3.17Å; S194-F197 PolarHBondContact N-O 3.37Å; S194-F197 WeakPolarHBondContact O-CB 3.21Å; S194-F197 PolarHBondContact O-N 3.48Å
195G54.7Low63.2Low47 Ų4748.8 Ų48.849%0.48528%0.281SS..THydrogen-bonded Turntrans59-118-170.800000111.8
196C41.5Very low61.8Low78 Ų7850.1 Ų50.153%0.52730%0.296SS..THydrogen-bonded Turntrans-86.3-13.2173.961.30000113.9S194 F649S194-C196 PolarHBondContact O-N 3.17Å; C196-F649 HydrophobicContact CB-CE2 4.47Å; C196-F649 HydrophobicContact CB-CZ 4.44Å
197F39.7Very low60.8Low158 Ų15851 Ų5169%0.69330%0.3SS*.EExtended strand (participates in β ladder)trans-82.4124.9-177.9-63-80.6000111V193 S194V193-F197 WeakPolarHBondContact CA-O 3.41Å; S194-F197 PolarHBondContact N-O 3.37Å; S194-F197 WeakPolarHBondContact O-CB 3.21Å; S194-F197 PolarHBondContact O-N 3.48Å
198V53.5Low59.9Low40 Ų4058.1 Ų58.124%0.24233%0.326CS..EExtended strand (participates in β ladder)trans-110.6104.8177174.60000108.4V44 I191 V193 L200V44-V198 HydrophobicContact CB-CG1 4.4Å; V44-V198 HydrophobicContact CG1-CG1 3.81Å; I191-V198 HydrophobicContact CG2-CG1 4.15Å; V193-V198 HydrophobicContact CG1-CG2 4.34Å; V193-V198 HydrophobicContact CG2-CG2 4.38Å; V198-L200 HydrophobicContact CG1-CD2 4.24Å; V198-L200 HydrophobicContact CG1-CG 4.5Å
199Q53.8Low59.1Low109 Ų10958 Ų5851%0.50933%0.325SS..EExtended strand (participates in β ladder)trans-93108.1171.5177.9171.9-2500108.9A192 S201A192-Q199 HydrophobicContact CB-CB 4.32Å; A192-Q199 PolarHBondContact N-O 3.05Å; A192-Q199 PolarHBondContact O-N 3.13Å; Q199-S201 PolarHBondContact NE2-OG 3.22Å; Q199-S201 PolarHBondContact O-N 2.89Å
200L61.4Low58.4Low23 Ų2360.1 Ų60.112%0.1234%0.339CS..EExtended strand (participates in β ladder)trans-80.296.3162.4-62.4-172.4000107.8I22 V44 Q47 I189 I191 V198 P202I22-L200 HydrophobicContact CG2-CD1 3.84Å; V44-L200 HydrophobicContact CG1-CD2 4.27Å; Q47-L200 HydrophobicContact CB-CD1 4.18Å; Q47-L200 HydrophobicContact CG-CD1 3.54Å; Q47-L200 HydrophobicContact CG-CG 3.95Å; I189-L200 HydrophobicContact CG2-CB 4.01Å; I189-L200 HydrophobicContact CG2-CD2 4.48Å; I191-L200 HydrophobicContact CB-CD2 4.28Å; I191-L200 HydrophobicContact CG1-CD2 3.79Å; I191-L200 HydrophobicContact CG2-CD2 4.19Å; V198-L200 HydrophobicContact CG1-CD2 4.24Å; V198-L200 HydrophobicContact CG1-CG 4.5Å; L200-P202 WeakPolarHBondContact O-CD 3.42Å
201S54.7Low57.8Low38 Ų3861.8 Ų61.827%0.26635%0.351SS..EExtended strand (participates in β ladder)trans-80.4110.4169.4-73.70000108.3I189 T190 Q199 I203I189-S201 WeakPolarHBondContact CG2-O 3.39Å; T190-S201 PolarHBondContact N-O 3.41Å; T190-S201 VanDerWaalsContact N-O 3.1Å; T190-S201 PolarHBondContact O-N 2.93Å; Q199-S201 PolarHBondContact NE2-OG 3.22Å; Q199-S201 PolarHBondContact O-N 2.89Å; S201-I203 PolarHBondContact O-N 2.7Å
202P50Low57.2Low72 Ų7267 Ų6747%0.46837%0.374SS..EExtended strand (participates in β ladder)trans-65.5105.6161.129.8-31.8000106.9L200 E204L200-P202 WeakPolarHBondContact O-CD 3.42Å; P202-E204 PolarHBondContact O-N 3.49Å
203I50.2Low57Low52 Ų5266.9 Ų66.927%0.26737%0.369SS..EExtended strand (participates in β ladder)trans-56.9125.6145.2-51.8-178.7000103.6T190 S201 W205 F231T190-I203 WeakPolarHBondContact OG1-CD1 3.34Å; S201-I203 PolarHBondContact O-N 2.7Å; I203-W205 HydrophobicContact CB-CB 4.33Å; I203-W205 HydrophobicContact CG2-CB 3.71Å; I203-W205 PolarHBondContact O-N 3.5Å; I203-F231 HydrophobicContact CG2-CD1 3.91Å; I203-F231 HydrophobicContact CG2-CE1 3.64Å; I203-F231 HydrophobicContact CG2-CZ 4.26Å
204E50.6Low56.7Low124 Ų12464.7 Ų64.758%0.57935%0.353SS*.EExtended strand (participates in β ladder)trans-75.636.6-177-58-138.9109.700112.2K20 P202 S206 F231K20-E204 IonicContact NZ-OE1 3.3Å; K20-E204 PolarHBondContact NZ-OE1 2.97Å; K20-E204 IonicContact NZ-OE2 3.54Å; K20-E204 PolarHBondContact NZ-OE2 2.9Å; P202-E204 PolarHBondContact O-N 3.49Å; E204-S206 PolarHBondContact O-N 3.07Å; E204-F231 HydrophobicContact CB-CZ 4.41Å
205W54.2Low56.7Low7 Ų762.5 Ų62.53%0.02735%0.345CS..EExtended strand (participates in β ladder)trans-93.281-178.6-166.989.4000108.9L186 N187 V188 I203 I207 V224 S227 L228 F231L186-W205 HydrophobicContact CB-CZ3 4.32Å; L186-W205 HydrophobicContact CD2-CH2 3.92Å; L186-W205 HydrophobicContact CD2-CZ3 3.71Å; L186-W205 HydrophobicContact CG-CH2 4.48Å; L186-W205 HydrophobicContact CG-CZ3 3.84Å; N187-W205 PolarHBondContact OD1-O 2.77Å; V188-W205 HydrophobicContact CB-CE3 3.76Å; V188-W205 HydrophobicContact CB-CZ3 4.15Å; V188-W205 HydrophobicContact CG2-CE3 3.62Å; V188-W205 HydrophobicContact CG2-CZ3 3.46Å; V188-W205 VanDerWaalsContact CG2-CZ3 3.46Å; V188-W205 PolarHBondContact N-O 2.81Å; I203-W205 HydrophobicContact CB-CB 4.33Å; I203-W205 HydrophobicContact CG2-CB 3.71Å; I203-W205 PolarHBondContact O-N 3.5Å; W205-I207 HydrophobicContact CD2-CD1 4.4Å; W205-I207 HydrophobicContact CD2-CG1 4.15Å; W205-I207 VanDerWaalsContact CE2-CD1 3.48Å; W205-I207 HydrophobicContact CH2-CB 4.5Å; W205-I207 HydrophobicContact CH2-CD1 3.87Å; W205-I207 HydrophobicContact CH2-CG1 4.15Å; W205-I207 HydrophobicContact CZ2-CD1 3.18Å; W205-I207 HydrophobicContact CZ2-CG1 3.75Å; W205-V224 HydrophobicContact CH2-CB 4.37Å; W205-V224 HydrophobicContact CH2-CG1 3.65Å; W205-V224 HydrophobicContact CH2-CG2 4.24Å; W205-V224 HydrophobicContact CZ2-CB 4.48Å; W205-V224 HydrophobicContact CZ2-CG1 3.98Å; W205-V224 WeakPolarHBondContact CZ2-O 3.23Å; W205-S227 PolarHBondContact NE1-O 3.15Å; W205-S227 VanDerWaalsContact NE1-O 3.14Å; W205-L228 HydrophobicContact CD2-CD1 3.87Å; W205-L228 HydrophobicContact CE3-CD1 4.41Å; W205-L228 HydrophobicContact CG-CD1 4.2Å; W205-L228 HydrophobicContact CZ2-CB 3.98Å; W205-L228 HydrophobicContact CZ2-CD1 3.92Å; W205-F231 HydrophobicContact CB-CE2 4.23Å; W205-F231 HydrophobicContact CB-CZ 4.38Å; W205-F231 AromaticContact CD1-CD2 3.63Å; W205-F231 AromaticContact CD1-CE2 4Å
206S56.9Low57.2Low64 Ų6461.1 Ų61.145%0.44833%0.328SS..EExtended strand (participates in β ladder)trans-108.883.4173.5163.20000109.7L186 E204 R208L186-S206 CarbonylContact O-C 3.6Å; L186-S206 WeakPolarHBondContact O-CA 3.42Å; E204-S206 PolarHBondContact O-N 3.07Å; S206-R208 PolarHBondContact O-N 3.32Å
207I64.8Low58.2Low18 Ų1859.5 Ų59.59%0.09232%0.317CS..EExtended strand (participates in β ladder)trans-75.1113.4176.9-67.3-165.6000110.5R185 L186 W205 V209 F223 V224 S227R185-I207 CarbonylContact C-O 3.55Å; R185-I207 WeakPolarHBondContact CA-O 3.2Å; R185-I207 WeakPolarHBondContact CB-O 3.43Å; L186-I207 PolarHBondContact N-O 2.83Å; L186-I207 PolarHBondContact O-N 2.85Å; W205-I207 HydrophobicContact CD2-CD1 4.4Å; W205-I207 HydrophobicContact CD2-CG1 4.15Å; W205-I207 VanDerWaalsContact CE2-CD1 3.48Å; W205-I207 HydrophobicContact CH2-CB 4.5Å; W205-I207 HydrophobicContact CH2-CD1 3.87Å; W205-I207 HydrophobicContact CH2-CG1 4.15Å; W205-I207 HydrophobicContact CZ2-CD1 3.18Å; W205-I207 HydrophobicContact CZ2-CG1 3.75Å; I207-V209 HydrophobicContact CG2-CG2 4.24Å; I207-F223 HydrophobicContact CD1-CE1 4.48Å; I207-F223 HydrophobicContact CG2-CD1 4.39Å; I207-F223 HydrophobicContact CG2-CE1 3.79Å; I207-V224 HydrophobicContact CD1-CG2 4.21Å; I207-V224 HydrophobicContact CG2-CG2 4.24Å; I207-S227 VanDerWaalsContact CD1-CB 3.41Å
208R65.4Low59.5Low172 Ų17257.2 Ų57.265%0.64931%0.312SS*.EExtended strand (participates in β ladder)trans-75.8123.2152.1-172.6-171.3-52.6-158.74.3107.5S206S206-R208 PolarHBondContact O-N 3.32Å
209V65.2Low60.3Low1 Ų157.5 Ų57.51%0.00632%0.315CS..PPolyproline II helixtrans-77.5128.5-179.8-174.30000109.3M177 I207 L213 Y214 C220M177-V209 HydrophobicContact CE-CB 3.56Å; M177-V209 HydrophobicContact CE-CG1 3.46Å; M177-V209 VanDerWaalsContact CE-CG1 3.46Å; M177-V209 HydrophobicContact CE-CG2 3.78Å; M177-V209 HydrophobicContact SD-CG1 3.91Å; I207-V209 HydrophobicContact CG2-CG2 4.24Å; V209-L213 HydrophobicContact CG1-CB 4.11Å; V209-L213 HydrophobicContact CG1-CD1 4.34Å; V209-Y214 HydrophobicContact CB-CE1 4.05Å; V209-Y214 HydrophobicContact CG1-CD1 4.42Å; V209-Y214 HydrophobicContact CG1-CE1 3.97Å; V209-Y214 WeakPolarHBondContact O-CE1 3.48Å; V209-Y214 PolarHBondContact O-OH 2.98Å; V209-C220 HydrophobicContact CG1-CB 4.32Å; V209-C220 VanDerWaalsContact CG1-SG 3.54Å
210P64.8Low60.9Low46 Ų4652.3 Ų52.330%0.29929%0.291SS..PPolyproline II helixtrans-57.5139.2176-24.833.1000112.6K212 L213 Y214 F223P210-K212 PolarHBondContact O-N 3.44Å; P210-K212 VanDerWaalsContact O-N 3.15Å; P210-L213 HydrophobicContact CB-CG 4.43Å; P210-L213 HydrophobicContact CG-CD1 4.33Å; P210-L213 PolarHBondContact O-N 2.81Å; P210-Y214 WeakPolarHBondContact O-CD1 3.46Å; P210-Y214 WeakPolarHBondContact O-CE1 3.37Å; P210-F223 HydrophobicContact CG-CD1 4.48Å; P210-F223 HydrophobicContact CG-CE1 3.88Å; P210-F223 HydrophobicContact CG-CE2 4.13Å; P210-F223 HydrophobicContact CG-CZ 3.67Å
211S63.8Low61.4Low55 Ų5553.4 Ų53.439%0.38530%0.295SS..G310 helixtrans-52.6-35.4176.548.10000113.4L213 Y214S211-L213 PolarHBondContact O-N 2.86Å; S211-L213 VanDerWaalsContact O-N 3.07Å; S211-Y214 WeakPolarHBondContact O-CB 3.37Å; S211-Y214 PolarHBondContact O-N 2.85Å; S211-Y214 VanDerWaalsContact O-N 3.12Å
212K64.8Low62.4Low116 Ų11657.9 Ų57.950%0.50431%0.31SS..G310 helixtrans-57.7-14.4175-67.3173.5173172.30115.2P210 D507P210-K212 PolarHBondContact O-N 3.44Å; P210-K212 VanDerWaalsContact O-N 3.15Å; K212-D507 WeakPolarHBondContact CE-OD2 3.41Å; K212-D507 WeakPolarHBondContact CG-OD2 3.38Å; K212-D507 IonicContact NZ-OD2 3.63Å
213L63.8Low63.7Low28 Ų2857.7 Ų57.715%0.14730%0.302CS..G310 helixtrans-105.63.7-179.8-56.4-177.3000113.3V209 P210 S211 C216 C220 F223V209-L213 HydrophobicContact CG1-CB 4.11Å; V209-L213 HydrophobicContact CG1-CD1 4.34Å; P210-L213 HydrophobicContact CB-CG 4.43Å; P210-L213 HydrophobicContact CG-CD1 4.33Å; P210-L213 PolarHBondContact O-N 2.81Å; S211-L213 PolarHBondContact O-N 2.86Å; S211-L213 VanDerWaalsContact O-N 3.07Å; L213-C216 WeakPolarHBondContact O-CB 3.44Å; L213-C216 PolarHBondContact O-N 3.03Å; L213-C220 HydrophobicContact CB-CB 4.38Å; L213-F223 HydrophobicContact CD1-CB 3.36Å; L213-F223 HydrophobicContact CD1-CD1 3.79Å; L213-F223 HydrophobicContact CD1-CD2 4.12Å; L213-F223 HydrophobicContact CD1-CG 3.48Å; L213-F223 VanDerWaalsContact CD1-CG 3.48Å
214Y60.9Low64.8Low19 Ų1955.3 Ų55.38%0.07529%0.289CS..THydrogen-bonded Turntrans-70.8154.3-177.7-62.7-1.2000110.2M177 C181 S182 V209 P210 S211 C216 S497M177-Y214 HydrophobicContact CE-CD1 3.66Å; M177-Y214 HydrophobicContact CE-CE1 3.64Å; M177-Y214 HydrophobicContact SD-CD1 3.46Å; M177-Y214 WeakPolarHBondContact SD-CD1 3.39Å; M177-Y214 HydrophobicContact SD-CE1 4.07Å; M177-Y214 HydrophobicContact SD-CG 4.36Å; C181-Y214 VanDerWaalsContact C-CE2 3.5Å; C181-Y214 PolarHBondContact O-OH 3.17Å; C181-Y214 VanDerWaalsContact O-OH 3.09Å; S182-Y214 WeakPolarHBondContact CA-OH 3.42Å; V209-Y214 HydrophobicContact CB-CE1 4.05Å; V209-Y214 HydrophobicContact CG1-CD1 4.42Å; V209-Y214 HydrophobicContact CG1-CE1 3.97Å; V209-Y214 WeakPolarHBondContact O-CE1 3.48Å; V209-Y214 PolarHBondContact O-OH 2.98Å; P210-Y214 WeakPolarHBondContact O-CD1 3.46Å; P210-Y214 WeakPolarHBondContact O-CE1 3.37Å; S211-Y214 WeakPolarHBondContact O-CB 3.37Å; S211-Y214 PolarHBondContact O-N 2.85Å; S211-Y214 VanDerWaalsContact O-N 3.12Å; Y214-C216 PolarHBondContact O-N 3.06Å; Y214-C216 PolarHBondContact O-SG 2.79Å; Y214-S497 CarbonylContact O-C 3.58Å; Y214-S497 VanDerWaalsContact O-C 3.25Å; Y214-S497 VanDerWaalsContact O-CA 3.22Å; Y214-S497 WeakPolarHBondContact O-CA 3.42Å
215G57Low65.9Low45 Ų4550.2 Ų50.246%0.46427%0.267SS..THydrogen-bonded Turntrans63-10.3-167.500000115.5P217 S497G215-P217 WeakPolarHBondContact O-CD 3.35Å; G215-S497 WeakPolarHBondContact CA-O 3.13Å
216C64.3Low66.8Low18 Ų1853.1 Ų53.112%0.12228%0.283CS..  trans-112.468.4-173.4-60.70000111.7L213 Y214 N218 S219 C220 I499L213-C216 WeakPolarHBondContact O-CB 3.44Å; L213-C216 PolarHBondContact O-N 3.03Å; Y214-C216 PolarHBondContact O-N 3.06Å; Y214-C216 PolarHBondContact O-SG 2.79Å; C216-N218 VanDerWaalsContact C-N 3.28Å; C216-N218 PolarHBondContact O-N 3.01Å; C216-N218 VanDerWaalsContact O-N 3.16Å; C216-S219 PolarHBondContact O-N 2.64Å; C216-C220 PolarHBondContact O-N 2.7Å; C216-I499 HydrophobicContact CB-CD1 3.92Å; C216-I499 HydrophobicContact CB-CG1 4.45Å; C216-I499 PolarHBondContact SG-N 2.7Å; C216-I499 VanDerWaalsContact SG-N 3.4Å
217P63.1Low67.4Low45 Ų4551.5 Ų51.529%0.29227%0.271SS..Hα-helixtrans-58.1-35.2-170.521.5-33.5000114.1K174 G215 F221K174-P217 HydrophobicContact CG-CB 3.66Å; G215-P217 WeakPolarHBondContact O-CD 3.35Å; P217-F221 WeakPolarHBondContact O-CB 3.21Å; P217-F221 PolarHBondContact O-N 2.83Å
218N66.9Low67.5Low110 Ų11052 Ų5259%0.58827%0.274SS*.Hα-helixtrans-70.8-35179.2-62.2-11.8000111.6C216 K222C216-N218 VanDerWaalsContact C-N 3.28Å; C216-N218 PolarHBondContact O-N 3.01Å; C216-N218 VanDerWaalsContact O-N 3.16Å; N218-K222 PolarHBondContact O-N 3.1Å
219S69.5Low67.6Low45 Ų4550.4 Ų50.432%0.31527%0.274SS..Hα-helixtrans-75-37.7175.6-51.90000111.7C216 K222 F223 I499C216-S219 PolarHBondContact O-N 2.64Å; S219-K222 PolarHBondContact O-N 3.34Å; S219-F223 WeakPolarHBondContact O-CB 3.36Å; S219-F223 PolarHBondContact O-N 2.93Å; S219-I499 VanDerWaalsContact OG-CD1 3.32Å; S219-I499 WeakPolarHBondContact OG-CD1 3.42Å
220C66.8Low67.2Low0 Ų058.4 Ų58.40%031%0.308CS..Hα-helixtrans-58-49.1167.7176.60000111.1M177 V209 L213 C216 F223 V224M177-C220 HydrophobicContact CG-CB 3.62Å; M177-C220 HydrophobicContact SD-CB 3.8Å; V209-C220 HydrophobicContact CG1-CB 4.32Å; V209-C220 VanDerWaalsContact CG1-SG 3.54Å; L213-C220 HydrophobicContact CB-CB 4.38Å; C216-C220 PolarHBondContact O-N 2.7Å; C220-F223 PolarHBondContact O-N 3.09Å; C220-V224 VanDerWaalsContact O-CB 3.3Å; C220-V224 WeakPolarHBondContact O-CB 3.39Å; C220-V224 WeakPolarHBondContact O-CG2 3.24Å; C220-V224 PolarHBondContact O-N 3.44Å
221F71.3Confident66.7Low47 Ų4759.2 Ų59.221%0.20631%0.308CS..Hα-helixtrans-60.2-44.8177.3169.1-118.6000111.9N166 E170 P217 V224 V225N166-F221 HydrophobicContact CB-CZ 4.4Å; N166-F221 WeakPolarHBondContact O-CE2 3.14Å; E170-F221 VanDerWaalsContact CA-CD2 3.48Å; E170-F221 HydrophobicContact CB-CD2 3.59Å; E170-F221 HydrophobicContact CB-CE2 3.56Å; E170-F221 HydrophobicContact CB-CG 4.14Å; E170-F221 HydrophobicContact CB-CZ 4.09Å; E170-F221 HydrophobicContact CG-CB 4.39Å; E170-F221 HydrophobicContact CG-CD1 4.08Å; E170-F221 HydrophobicContact CG-CD2 3.83Å; E170-F221 HydrophobicContact CG-CE1 4.29Å; E170-F221 HydrophobicContact CG-CE2 4.04Å; E170-F221 HydrophobicContact CG-CG 3.83Å; E170-F221 HydrophobicContact CG-CZ 4.26Å; P217-F221 WeakPolarHBondContact O-CB 3.21Å; P217-F221 PolarHBondContact O-N 2.83Å; F221-V224 WeakPolarHBondContact O-CB 3.38Å; F221-V224 PolarHBondContact O-N 3.06Å; F221-V225 HydrophobicContact CD2-CG2 3.78Å; F221-V225 HydrophobicContact CE1-CG2 4.46Å; F221-V225 HydrophobicContact CE2-CG2 3.31Å; F221-V225 HydrophobicContact CZ-CG2 3.72Å; F221-V225 WeakPolarHBondContact O-CB 3.49Å; F221-V225 WeakPolarHBondContact O-CG2 3.35Å; F221-V225 PolarHBondContact O-N 2.69Å
222K76.2Confident65.7Low131 Ų13160.1 Ų60.157%0.5731%0.312SS*.Hα-helixtrans-60.4-50.6174.9177.7168179.1175.90111.7N218 S219 V224 V225 D226N218-K222 PolarHBondContact O-N 3.1Å; S219-K222 PolarHBondContact O-N 3.34Å; K222-V224 PolarHBondContact O-N 3.2Å; K222-V225 PolarHBondContact O-N 3.16Å; K222-V225 VanDerWaalsContact O-N 3.13Å; K222-D226 WeakPolarHBondContact CE-OD2 3.42Å; K222-D226 WeakPolarHBondContact CG-OD2 3.29Å; K222-D226 WeakPolarHBondContact O-CB 3.31Å; K222-D226 VanDerWaalsContact O-CG 3.23Å; K222-D226 PolarHBondContact O-N 3.24Å
223F76.9Confident64.5Low69 Ų6961.1 Ų61.130%0.30332%0.323SS..Hα-helixtrans-56.8-40.1177.5170.9-97.4000112.5I207 P210 L213 S219 C220 S227I207-F223 HydrophobicContact CD1-CE1 4.48Å; I207-F223 HydrophobicContact CG2-CD1 4.39Å; I207-F223 HydrophobicContact CG2-CE1 3.79Å; P210-F223 HydrophobicContact CG-CD1 4.48Å; P210-F223 HydrophobicContact CG-CE1 3.88Å; P210-F223 HydrophobicContact CG-CE2 4.13Å; P210-F223 HydrophobicContact CG-CZ 3.67Å; L213-F223 HydrophobicContact CD1-CB 3.36Å; L213-F223 HydrophobicContact CD1-CD1 3.79Å; L213-F223 HydrophobicContact CD1-CD2 4.12Å; L213-F223 HydrophobicContact CD1-CG 3.48Å; L213-F223 VanDerWaalsContact CD1-CG 3.48Å; S219-F223 WeakPolarHBondContact O-CB 3.36Å; S219-F223 PolarHBondContact O-N 2.93Å; C220-F223 PolarHBondContact O-N 3.09Å; F223-S227 WeakPolarHBondContact O-CB 3.39Å; F223-S227 PolarHBondContact O-N 3.27Å; F223-S227 PolarHBondContact O-OG 3.03Å
224V73.7Confident62.9Low1 Ų166.7 Ų66.71%0.00635%0.353CS..Hα-helixtrans-61.6-51.9173.4146.80000111.1I169 W205 I207 C220 F221 K222 S227 L228I169-V224 HydrophobicContact CG2-CG1 3.18Å; W205-V224 HydrophobicContact CH2-CB 4.37Å; W205-V224 HydrophobicContact CH2-CG1 3.65Å; W205-V224 HydrophobicContact CH2-CG2 4.24Å; W205-V224 HydrophobicContact CZ2-CB 4.48Å; W205-V224 HydrophobicContact CZ2-CG1 3.98Å; W205-V224 WeakPolarHBondContact CZ2-O 3.23Å; I207-V224 HydrophobicContact CD1-CG2 4.21Å; I207-V224 HydrophobicContact CG2-CG2 4.24Å; C220-V224 VanDerWaalsContact O-CB 3.3Å; C220-V224 WeakPolarHBondContact O-CB 3.39Å; C220-V224 WeakPolarHBondContact O-CG2 3.24Å; C220-V224 PolarHBondContact O-N 3.44Å; F221-V224 WeakPolarHBondContact O-CB 3.38Å; F221-V224 PolarHBondContact O-N 3.06Å; K222-V224 PolarHBondContact O-N 3.2Å; V224-S227 CarbonylContact O-C 3.56Å; V224-S227 PolarHBondContact O-N 2.96Å; V224-L228 WeakPolarHBondContact O-CB 3.18Å; V224-L228 PolarHBondContact O-N 3.09Å
225V73.7Confident61.7Low17 Ų1772.2 Ų72.210%0.10338%0.382CS..Hα-helixtrans-65.5-42.5-179.4167.50000111.8F221 K222 S227 L228 H229F221-V225 HydrophobicContact CD2-CG2 3.78Å; F221-V225 HydrophobicContact CE1-CG2 4.46Å; F221-V225 HydrophobicContact CE2-CG2 3.31Å; F221-V225 HydrophobicContact CZ-CG2 3.72Å; F221-V225 WeakPolarHBondContact O-CB 3.49Å; F221-V225 WeakPolarHBondContact O-CG2 3.35Å; F221-V225 PolarHBondContact O-N 2.69Å; K222-V225 PolarHBondContact O-N 3.16Å; K222-V225 VanDerWaalsContact O-N 3.13Å; V225-S227 VanDerWaalsContact C-N 3.33Å; V225-S227 PolarHBondContact O-N 3.09Å; V225-L228 WeakPolarHBondContact O-CB 3.47Å; V225-L228 PolarHBondContact O-N 3Å; V225-L228 VanDerWaalsContact O-N 3.15Å; V225-H229 VanDerWaalsContact CG1-CD2 3.48Å; V225-H229 WeakPolarHBondContact CG1-CD2 3.35Å; V225-H229 PolarHBondContact O-CD2 2.94Å; V225-H229 PolarHBondContact O-N 2.65Å
226D73.2Confident60.5Low68 Ų6876.4 Ų76.436%0.36440%0.399SS..Hα-helixtrans-61.6-41.1175.8-68.8-12000110.9K222 H229 K230K222-D226 WeakPolarHBondContact CE-OD2 3.42Å; K222-D226 WeakPolarHBondContact CG-OD2 3.29Å; K222-D226 WeakPolarHBondContact O-CB 3.31Å; K222-D226 VanDerWaalsContact O-CG 3.23Å; K222-D226 PolarHBondContact O-N 3.24Å; D226-H229 PolarHBondContact O-N 3.04Å; D226-K230 WeakPolarHBondContact O-CB 3.44Å; D226-K230 VanDerWaalsContact O-CG 3.26Å; D226-K230 WeakPolarHBondContact O-CG 3.16Å; D226-K230 PolarHBondContact O-N 3.32Å
227S70.2Confident58.6Low30 Ų3079 Ų7921%0.2143%0.429CS..Hα-helixtrans-76.9-16.7175.8-66.60000114W205 I207 F223 V224 V225W205-S227 PolarHBondContact NE1-O 3.15Å; W205-S227 VanDerWaalsContact NE1-O 3.14Å; I207-S227 VanDerWaalsContact CD1-CB 3.41Å; F223-S227 WeakPolarHBondContact O-CB 3.39Å; F223-S227 PolarHBondContact O-N 3.27Å; F223-S227 PolarHBondContact O-OG 3.03Å; V224-S227 CarbonylContact O-C 3.56Å; V224-S227 PolarHBondContact O-N 2.96Å; V225-S227 VanDerWaalsContact C-N 3.33Å; V225-S227 PolarHBondContact O-N 3.09Å
228L67Low56.7Low30 Ų3080.4 Ų80.416%0.15745%0.452CS..Hα-helixtrans-78.7-43168.2-17087.3000110.5P164 I169 W205 V224 V225 K230 F231P164-L228 HydrophobicContact CG-CD2 3.67Å; I169-L228 HydrophobicContact CD1-CD1 4.49Å; I169-L228 HydrophobicContact CD1-CD2 4.07Å; W205-L228 HydrophobicContact CD2-CD1 3.87Å; W205-L228 HydrophobicContact CE3-CD1 4.41Å; W205-L228 HydrophobicContact CG-CD1 4.2Å; W205-L228 HydrophobicContact CZ2-CB 3.98Å; W205-L228 HydrophobicContact CZ2-CD1 3.92Å; V224-L228 WeakPolarHBondContact O-CB 3.18Å; V224-L228 PolarHBondContact O-N 3.09Å; V225-L228 WeakPolarHBondContact O-CB 3.47Å; V225-L228 PolarHBondContact O-N 3Å; V225-L228 VanDerWaalsContact O-N 3.15Å; L228-K230 VanDerWaalsContact C-N 3.3Å; L228-K230 PolarHBondContact O-N 3.15Å; L228-F231 WeakPolarHBondContact O-CB 3.4Å; L228-F231 PolarHBondContact O-N 2.8Å
229H65.9Low54.7Low137 Ų13781.4 Ų81.463%0.63446%0.455SS*.Hα-helixtrans-69.9-23.7176.9-74.2-55.7000114V225 D226 F231V225-H229 VanDerWaalsContact CG1-CD2 3.48Å; V225-H229 WeakPolarHBondContact CG1-CD2 3.35Å; V225-H229 PolarHBondContact O-CD2 2.94Å; V225-H229 PolarHBondContact O-N 2.65Å; D226-H229 PolarHBondContact O-N 3.04Å; H229-F231 VanDerWaalsContact C-N 3.3Å
230K58.6Low52.5Low169 Ų16984.9 Ų84.974%0.73548%0.478SS*.THydrogen-bonded Turntrans-79-7.2171.4-75.5172.4-179.4-179.50114.2D226 L228D226-K230 WeakPolarHBondContact O-CB 3.44Å; D226-K230 VanDerWaalsContact O-CG 3.26Å; D226-K230 WeakPolarHBondContact O-CG 3.16Å; D226-K230 PolarHBondContact O-N 3.32Å; L228-K230 VanDerWaalsContact C-N 3.3Å; L228-K230 PolarHBondContact O-N 3.15Å
231F53.5Low50.5Low64 Ų6490.5 Ų90.528%0.28152%0.518SS..SBendtrans-73.2126.6176.6-138.1-103000109I203 E204 W205 L228 H229 N233 I235I203-F231 HydrophobicContact CG2-CD1 3.91Å; I203-F231 HydrophobicContact CG2-CE1 3.64Å; I203-F231 HydrophobicContact CG2-CZ 4.26Å; E204-F231 HydrophobicContact CB-CZ 4.41Å; W205-F231 HydrophobicContact CB-CE2 4.23Å; W205-F231 HydrophobicContact CB-CZ 4.38Å; W205-F231 AromaticContact CD1-CD2 3.63Å; W205-F231 AromaticContact CD1-CE2 4Å; L228-F231 WeakPolarHBondContact O-CB 3.4Å; L228-F231 PolarHBondContact O-N 2.8Å; H229-F231 VanDerWaalsContact C-N 3.3Å; F231-N233 PolarHBondContact O-N 3.43Å; F231-I235 HydrophobicContact CE1-CD1 4.46Å
232P41.7Very low48.2Very low73 Ų7392.9 Ų92.947%0.47455%0.547SS..  trans-64136-177.124.8-32.8000110.7D234P232-D234 WeakPolarHBondContact CB-OD2 3.33Å; P232-D234 PolarHBondContact O-N 3.31Å
233N40.3Very low45.8Very low138 Ų13894.8 Ų94.874%0.73856%0.557SS**SBendtrans-72.1-6.7176.9-68.2-65.6000112.5F231 I235 T236F231-N233 PolarHBondContact O-N 3.43Å; N233-I235 PolarHBondContact O-N 3.24Å; N233-T236 PolarHBondContact O-N 3.08Å
234D31.3Very low43.3Very low144 Ų14498.4 Ų98.477%0.7758%0.58SS**THydrogen-bonded Turntrans-72.68.7-166.8-49.1-56.3000114.9P232 T236P232-D234 WeakPolarHBondContact CB-OD2 3.33Å; P232-D234 PolarHBondContact O-N 3.31Å; D234-T236 VanDerWaalsContact C-N 3.33Å
235I35.8Very low40.9Very low135 Ų135103.3 Ų103.369%0.69261%0.614SS**THydrogen-bonded Turntrans-95.921.8170.6-33.6-175.9000111.3F231 N233 G237F231-I235 HydrophobicContact CE1-CD1 4.46Å; N233-I235 PolarHBondContact O-N 3.24Å; I235-G237 PolarHBondContact O-N 3.2Å
236T30.1Very low38.6Very low133 Ų133110.6 Ų110.682%0.81665%0.647SS**  trans-75.546.7163.153.30000112.1N233 D234N233-T236 PolarHBondContact O-N 3.08Å; D234-T236 VanDerWaalsContact C-N 3.33Å
237G24.6Very low36.3Very low74 Ų74113.4 Ų113.476%0.76366%0.661SS**  trans-93.4101.3175.800000111.7I235I235-G237 PolarHBondContact O-N 3.2Å
238G23.8Very low34.3Very low74 Ų74119.6 Ų119.676%0.76369%0.686SS**SBendtrans98.536.4160.300000118.6
239I25.4Very low32.2Very low130 Ų130124 Ų12467%0.66771%0.71SS**  trans-128.4116.8152.1-58-178.6000108.1S241I239-S241 PolarHBondContact O-N 3.08Å
240C23.1Very low30.3Very low118 Ų118123.8 Ų123.880%0.79771%0.713SS**  trans-77.2115.3-177.4-630000111.6A242C240-A242 PolarHBondContact O-N 3.11Å
241S24.8Very low28.7Very low118 Ų118121.5 Ų121.583%0.82571%0.713SS**  trans-69.392.3163.9-60.60000109.6I239 E243I239-S241 PolarHBondContact O-N 3.08Å; S241-E243 VanDerWaalsContact C-N 3.31Å; S241-E243 PolarHBondContact O-N 3.07Å
242A22.9Very low27.4Very low98 Ų98122.6 Ų122.681%0.8173%0.729SS**  trans-80.469.3-175.600000112.9C240C240-A242 PolarHBondContact O-N 3.11Å
243E24.5Very low26.6Very low170 Ų170127 Ų12779%0.79474%0.743SS**  trans-127.6144.8163.7-70.2-168.3158.700110.8S241S241-E243 VanDerWaalsContact C-N 3.31Å; S241-E243 PolarHBondContact O-N 3.07Å
244N25.2Very low26Very low145 Ų145127.3 Ų127.378%0.77574%0.74SS**SBendtrans68.377.1173.6-56.2-34000118.3
245S24.2Very low25.8Very low105 Ų105126.4 Ų126.473%0.73474%0.739SS**  65.7129.8116.868.30000122.1
246Q25.1Very low25.2Very low170 Ų170128 Ų12879%0.79475%0.746SS**  trans91.7100.9153.8-65.7-176-1.500120.8
247I24.9Very low25Very low126 Ų126130.8 Ų130.865%0.64675%0.746SS**  78.7117.8120.8-65.3166.7000119.4
248H27.3Very low25.1Very low161 Ų161134 Ų13475%0.74575%0.746SS**  trans65.6149156-66.3-25000119.4
249N24.4Very low25.3Very low123 Ų123136.1 Ų136.166%0.65875%0.75SS**  cis-164.1154.8-28.6-121.73.1000110.8
250L25.8Very low25.1Very low132 Ų132134.4 Ų134.469%0.69176%0.755SS**  trans61.6119.4147.9-65.2166000122.1
251T24.9Very low25.1Very low120 Ų120134.2 Ų134.274%0.73675%0.754SS**  trans65.2157134.259.60000121.1
252S25Very low25.1Very low87 Ų87136.9 Ų136.961%0.60875%0.753SS**  cis-176.6160.8-26.5-91.20000108.1
253Q26.2Very low25.1Very low166 Ų166139.1 Ų139.178%0.77676%0.756SS**  trans67.9153163.3-68.1163.1-88.600115
254E27.1Very low25.2Very low145 Ų145136 Ų13668%0.67875%0.754SS**  cis-159.3169.3-1.3-128.7168.9-144.500115.2
255V26.8Very low25.3Very low124 Ų124136.6 Ų136.675%0.75276%0.757SS**  trans70.9131150.4169.60000120.6
256M22.7Very low25.4Very low168 Ų168137.1 Ų137.183%0.82876%0.757SS**  trans-87.8158.1168-54.2173.1-7600111.6
257K27.4Very low25.4Very low192 Ų192134.7 Ų134.784%0.83576%0.759SS**  -169.7154.7125.3-105.7155.6-174.11760115.4
258D25.4Very low25.5Very low141 Ų141133.3 Ų133.375%0.75476%0.76SS**  trans-26.2150.3164.9-44.9-61.1000115.3
259S27.7Very low25.4Very low120 Ų120135.1 Ų135.184%0.83977%0.769SS**  -168.2170.854.652.50000113.6
260A21.9Very low25.5Very low94 Ų94134.9 Ų134.978%0.77777%0.773SS**  trans-95.7147.4178.300000113.4
261C23.1Very low25.5Very low114 Ų114135.9 Ų135.977%0.7778%0.778SS**  trans-166.2147.3143.6-117.20000115.5
262Q24.5Very low25.6Very low174 Ų174137.7 Ų137.781%0.81378%0.782SS**  trans53.4102.8147.8-65.6179.35.900122.3
263V23.6Very low25.6Very low144 Ų144139.6 Ų139.687%0.87379%0.79SS**  2.9124128.1-176.60000117.7
264S25.8Very low25.7Very low106 Ų106139 Ų13974%0.74179%0.792SS**  trans-149.7135.3143.653.10000110.9
265N26.5Very low25.6Very low157 Ų157136.6 Ų136.684%0.8479%0.791SS**  trans-79.7156.5154.4-78.8-17.5000107.3
266P28.3Very low25.5Very low116 Ų116135.5 Ų135.575%0.75379%0.789SS**  -138.1152.7103.837.1-27000114.7
267S23.8Very low25.6Very low119 Ų119134.9 Ų134.983%0.83279%0.788SS**  trans-77.4131.2161.448.90000110.9
268S26.8Very low25.5Very low96 Ų96134.1 Ų134.167%0.67179%0.787SS**  trans-156.590163.3590000111.3T270S268-T270 PolarHBondContact O-N 3.14Å
269E24.8Very low25.5Very low200 Ų200133.7 Ų133.794%0.93578%0.784SS**  trans-78.491.6161-73-171134.500108.7L271E269-L271 PolarHBondContact O-N 3.27Å
270T28.4Very low25.6Very low118 Ų118133.8 Ų133.872%0.72478%0.782SS**  trans-82.2100.5175.9-25.40000109.9S268 L272S268-T270 PolarHBondContact O-N 3.14Å; T270-L272 PolarHBondContact O-N 2.83Å
271L24.3Very low25.8Very low152 Ų152138.3 Ų138.380%0.79678%0.784SS**  trans-60.3123.4166.7-75.5161.4000109.9E269E269-L271 PolarHBondContact O-N 3.27Å
272L27.8Very low26.1Very low159 Ų159140.2 Ų140.283%0.83279%0.785SS**  trans-131.274.7160.6-75.2179.3000109.5T270T270-L272 PolarHBondContact O-N 2.83Å
273T24.2Very low26.4Very low127 Ų127138 Ų13878%0.77978%0.778SS**  trans-76.3115.5145.147.40000107.1
274D29Very low26.7Very low152 Ų152138.7 Ų138.781%0.81377%0.772SS**  trans-143.4160.6155.7-139.4-25.6000111.5
275S24.7Very low27Very low95 Ų95141.2 Ų141.266%0.66477%0.772SS**  trans-115.9162.2-163.5-540000112.1
276S24.5Very low27.2Very low101 Ų101141.2 Ų141.271%0.70677%0.767SS**  trans75.6122.9149.7-57.80000119.5
277I25.5Very low27.4Very low155 Ų155141 Ų14180%0.79576%0.764SS**  trans89.7139.5136.7-66.1163.9000119.5
278H25Very low27.8Very low176 Ų176141.3 Ų141.382%0.81575%0.752SS**  trans83.2113.4163.6-105.3-71000122.7
279L25.6Very low27.9Very low132 Ų132146.6 Ų146.669%0.69176%0.757SS**  trans-77.4159.6155-119.779.2000111
280P29Very low28.2Very low123 Ų123142 Ų14280%0.79975%0.748SS**  -126.1175.9117.832.6-23.4000114.2
281K27.2Very low28.3Very low188 Ų188145.2 Ų145.282%0.81775%0.751SS**  trans-105.2-166.3-173.1-63.5179.8174.5179.80112.5
282I29.8Very low28.3Very low155 Ų155145.2 Ų145.280%0.79575%0.751SS**  trans92.4126164.3-58.5170.3000112.4
283N30.6Very low28.1Very low126 Ų126144.4 Ų144.467%0.67475%0.747SS**  cis-145.5134.7-5.5-1107.3000108
284E29.3Very low28.3Very low159 Ų159146.3 Ų146.374%0.74375%0.747SS**  84.1146.176.3-81.5-150.5163.100116.4
285Q31.4Very low28.2Very low160 Ų160146 Ų14675%0.74874%0.743SS**  trans68.7128.5178.6-47.4-169.525.200115.2
286Q31.1Very low28.2Very low157 Ų157148 Ų14873%0.73475%0.746SS**  cis-157.5166.3-4-113.4-178.394.100106.7
287V33.4Very low28.4Very low112 Ų112150.1 Ų150.168%0.67975%0.749SS**  cis-150.8-172.917.681.50000112.8
288Q30.6Very low28.6Very low125 Ų125147.4 Ų147.458%0.58474%0.743SS**  trans-60.8168.3174.3-64.616420.600115.1
289R28.9Very low28.6Very low206 Ų206146.9 Ų146.978%0.77774%0.741SS**  cis-163.2175.21.7-116.9160.6-174.5158.2-12.7106.1
290S32.6Very low28.5Very low105 Ų105146.3 Ų146.373%0.73474%0.743SS**  cis-153.8-159.711.8-152.40000112.5
291K29.6Very low28.5Very low185 Ų185149.8 Ų149.880%0.80475%0.749SS**  trans-85.7152.6178.7-56.8170.6168.8-174.70113
292L24Very low28.3Very low152 Ų152146.2 Ų146.280%0.79674%0.743SS**  cis68.1101.145.5-151.5-177.9000114.6
293L24.9Very low28.2Very low141 Ų141146.1 Ų146.174%0.73874%0.742SS**  trans161.7169.7142.9-103.1140.2000113.1
294E28.3Very low27.9Very low168 Ų168145.1 Ų145.179%0.78575%0.745SS**  trans68.7156.4166.2-71.8159.4-14600119.2
295M25.5Very low27.8Very low145 Ų145140.3 Ų140.371%0.71474%0.738SS**  -175.3128.3-51.5-114.116756.600109.9
296N24.9Very low27.4Very low137 Ų137139.6 Ų139.673%0.73375%0.745SS**  trans56.1179.3152-64.4-3.8000120.5
297D29.7Very low27.2Very low145 Ų145135.9 Ų135.978%0.77574%0.736SS**  trans69133.3169.4-57.4-10.7000118.1
298C29Very low26.8Very low99 Ų99138.4 Ų138.467%0.66974%0.741SS**  cis-148.9135.5-2.5-1360000115.1
299Q26.1Very low26.5Very low165 Ų165140.2 Ų140.277%0.77175%0.749SS**  trans26.3116.6139-58.7179.916.600121
300T23.2Very low26.4Very low119 Ų119134.9 Ų134.973%0.7374%0.739SS**  37.5116.6113.4-43.10000119.8
301Q28.6Very low26Very low197 Ų197135.4 Ų135.492%0.92174%0.738SS**  -151.9142.9129.9-126.1157.183.500114.3
302T22.2Very low25.8Very low113 Ų113131.7 Ų131.769%0.69373%0.731SS**  trans-91.5156.5-179.5-44.90000110.4
303I29Very low25.9Very low153 Ų153129.2 Ų129.279%0.78572%0.722SS**  trans159.3116.9149.7-86.3152.6000105.9
304S23.2Very low25.9Very low104 Ų104129.3 Ų129.373%0.72772%0.724SS**  cis86.1101.937.382.90000114.7
305G28Very low25.9Very low59 Ų59125.8 Ų125.861%0.60872%0.718SS**  trans160.3121.8172.800000107.7
306T23.7Very low26Very low145 Ų145125.1 Ų125.189%0.8972%0.717SS**  59.1127.660.473.20000111.7
307S25.2Very low26.2Very low79 Ų79125 Ų12555%0.55271%0.712SS**  cis-157-177.620.356.20000113.9
308E26Very low26.1Very low164 Ų164125.4 Ų125.477%0.76671%0.707SS**  trans53.3144.9134.8-76.9134.2-14500121.9
309E24.8Very low25.9Very low164 Ų164126.6 Ų126.677%0.76671%0.706SS**  cis-169.6-177.8-17.8-134.5-163.9148.400110.6
310V25.5Very low26.1Very low94 Ų94125.1 Ų125.157%0.5771%0.708SS**  trans64.298.1141.41670000120.3
311T24.5Very low26.1Very low115 Ų115124.7 Ų124.771%0.70671%0.71SS**  trans64.9174.213277.60000119
312T26.1Very low26.3Very low107 Ų107120.4 Ų120.466%0.65670%0.699SS**  cis-151.2144.69.5-16.20000113
313T25.5Very low26.4Very low100 Ų100119.4 Ų119.461%0.61370%0.697SS**  trans36.7121.7144.153.50000121.8
314D25.9Very low26.5Very low143 Ų143119.6 Ų119.677%0.76569%0.694SS**  67.5163.6125.2-46.3-23.1000118.3
315S28Very low26.6Very low95 Ų95119.8 Ų119.866%0.66469%0.691SS**  cis-151.9160.715.4-37.40000112.4
316N26.6Very low26.5Very low130 Ų130123.7 Ų123.770%0.69570%0.695SS**  39.2137.2123.4-69.5-34000119.9
317Q28.7Very low26.7Very low136 Ų136126.9 Ų126.964%0.63669%0.692SS**  cis175177.327.6-101.5163.517.700107.1
318F27.3Very low26.8Very low153 Ų153126.2 Ų126.267%0.67170%0.699SS**  cis-161.2157.9-9.2-113.4-25.8000111.4
319I26.4Very low26.9Very low123 Ų123127.9 Ų127.963%0.63171%0.706SS**  trans34.1121.7137.4-51.4157.7000120.2
320T29.7Very low27Very low135 Ų135123 Ų12383%0.82870%0.7SS**  -170.6116.6106.928.10000113.1
321S23.8Very low27.2Very low110 Ų110126.9 Ų126.977%0.76971%0.712SS**  trans-90.7-154.5157.7-520000107.4
322P31.4Very low27.4Very low106 Ų106126.3 Ų126.369%0.68870%0.704SS**  cis-145.1174.7-4.341.2-21.3000117.7
323S25.9Very low27.5Very low93 Ų93128 Ų12865%0.6570%0.704SS**  trans64.1-177.214176.90000119.1
324H29.4Very low27.5Very low156 Ų156129.2 Ų129.272%0.72271%0.707SS**  cis-143.3120.6-1.9-122.9-61.7000110.2
325T26.2Very low27.4Very low109 Ų109127.6 Ų127.667%0.66971%0.706SS**  35.6159.9127.8680000125.2
326M25.3Very low27.2Very low141 Ų141130.5 Ų130.570%0.69571%0.711SS**  trans105.2151.8145.3-77.7-73.3-81.800119.8
327Y27.9Very low27.1Very low211 Ų211133.4 Ų133.483%0.82771%0.712SS**  trans69.8125.6178.7-50.4-76.6000116.6
328G27.8Very low26.8Very low66 Ų66133.4 Ų133.468%0.6872%0.716SS**  cis175.5159.8-8.100000112.9
329E27.6Very low26.5Very low198 Ų198131.2 Ų131.293%0.92572%0.72SS**  trans53.9132.5154.7-63.5165.9-168.900119.7
330G27.7Very low26.4Very low62 Ų62130.5 Ų130.564%0.63973%0.725SS**  cis164179.5-5.700000112.1
331H30.1Very low26Very low176 Ų176131.4 Ų131.482%0.81572%0.724SS**  trans67.9148.3166.5-70.365.5000118.8
332N27.5Very low26Very low102 Ų102129.5 Ų129.555%0.54572%0.715SS.*  cis-168.9147.9-38.2-123.5-22.2000110.4
333H28Very low25.7Very low142 Ų142130.9 Ų130.966%0.65773%0.725SS**  trans62170.9154.5-58.6-31.7000117.8
334N25.7Very low25.6Very low126 Ų126134.1 Ų134.167%0.67473%0.73SS**  cis-161.9169.8-36.3-94.5-15.1000107.1
335C23.8Very low25.3Very low109 Ų109133.1 Ų133.174%0.73674%0.739SS**  trans65.4169.9163.4-67.20000115.5
336M25.1Very low25.3Very low157 Ų157131.6 Ų131.677%0.77373%0.733SS**  cis-143.7146.3-23.3-115.5-178.1-130.200106.3
337R23.8Very low25.3Very low190 Ų190132.7 Ų132.772%0.71774%0.736SS**  46.3106.989.1-154.2-176.4-164.2-170.62.1115.4
338N22.9Very low25.2Very low136 Ų136130 Ų13073%0.72773%0.731SS**SBendtrans61.1132.8157.6-64.215.8000119.9
339S21.2Very low25.2Very low107 Ų107134.9 Ų134.975%0.74874%0.736SS**  trans60.7174.8157.560.10000116.8
340C22.7Very low25.1Very low108 Ų108130.8 Ų130.873%0.7374%0.736SS**  trans67.3154.9163.5-62.20000116.5
341L22.9Very low25Very low154 Ų154131.2 Ų131.281%0.80674%0.74SS**  cis-149.9-178-21.8-118.4167.6000107.7C343L341-C343 PolarHBondContact O-N 2.83Å
342A23.5Very low24.7Very low70 Ų70130.2 Ų130.258%0.57974%0.741SS**  trans-59.6135.3164.600000109.9E344A342-E344 VanDerWaalsContact C-N 3.33Å; A342-E344 HydrophobicContact CB-CG 3.95Å; A342-E344 PolarHBondContact O-N 3.36Å
343C24.7Very low24.8Very low135 Ų135133 Ų13391%0.91275%0.748SS**  trans-82.693.4152.8-130.30000105.6L341 C345L341-C343 PolarHBondContact O-N 2.83Å; C343-C345 PolarHBondContact O-N 2.67Å
344E23.5Very low24.6Very low162 Ų162136.2 Ų136.276%0.75776%0.76SS**  trans-65.5112.2177.4-64.5171141.300108.3A342 S346A342-E344 VanDerWaalsContact C-N 3.33Å; A342-E344 HydrophobicContact CB-CG 3.95Å; A342-E344 PolarHBondContact O-N 3.36Å; E344-S346 PolarHBondContact O-N 2.99Å
345C24.1Very low24.6Very low135 Ų135137.2 Ų137.291%0.91276%0.759SS**  trans-69.791.1146-71.20000105.4C343C343-C345 PolarHBondContact O-N 2.67Å
346S26Very low24.9Very low76 Ų76144.2 Ų144.253%0.53177%0.77SS.*  trans-57.5149174.255.70000110.5E344E344-S346 PolarHBondContact O-N 2.99Å
347E25.7Very low24.9Very low165 Ų165140.9 Ų140.977%0.77176%0.762SS**  trans59.7127.6166.7-65.7127.8-131.300116.1
348E25Very low25Very low154 Ų154142.8 Ų142.872%0.7277%0.769SS**  cis-168.1175.57.6-138.4-179.7-156.100109.5
349H28.4Very low25.3Very low169 Ų169145.1 Ų145.178%0.78277%0.769SS**  trans64.4121.3164-70.887.5000119.3
350A25.1Very low25.7Very low112 Ų112150.5 Ų150.593%0.92677%0.773SS**  trans-69.3151.7-174.100000116.1
351G25.1Very low26.2Very low70 Ų70149.9 Ų149.972%0.72277%0.766SS**  trans144.2113.5151.700000117.8
352N24.5Very low26.6Very low155 Ų155146.1 Ų146.183%0.82976%0.756SS**  trans40.1114.4151.6-71.8-29.6000120.8
353K28.3Very low27Very low162 Ų162153 Ų15370%0.70477%0.767SS**  -178.7125.4115.8-98.7155.9-175.9176.30114.3
354F24.4Very low27.4Very low208 Ų208151.5 Ų151.591%0.91276%0.759SS**  trans-68.6123.2159.5-95-108.1000110.2
355K26.7Very low27.9Very low147 Ų147149.3 Ų149.364%0.63975%0.747SS**  trans167.8107.1149.8-94.9150.7-178.2174.70112.8D686 F687K355-D686 PolarHBondContact NZ-O 2.9Å; K355-F687 PolarHBondContact NZ-O 3.39Å
356R28.2Very low28.6Very low257 Ų257149.7 Ų149.797%0.9774%0.738SS**  trans-137.594.8159.1-90.1-170.9171.5176.4-1.2113
357S27.1Very low28.8Very low86 Ų86153.3 Ų153.360%0.60175%0.752SS**  trans16.6120160.5-166.20000121Y359S357-Y359 VanDerWaalsContact C-N 3.3Å; S357-Y359 PolarHBondContact O-N 3.42Å
358R25.4Very low28.9Very low231 Ų231148.4 Ų148.487%0.87275%0.745SS**SBendtrans-78.315.2175-75.4-178-91.9-177.5-9.6116.2
359Y29.1Very low29.2Very low185 Ų185151.8 Ų151.873%0.72575%0.751SS**  trans-147.577.5-175.9-71.1-77.8000113.1S357S357-Y359 VanDerWaalsContact C-N 3.3Å; S357-Y359 PolarHBondContact O-N 3.42Å
360R30.4Very low29.4Very low219 Ų219149 Ų14983%0.82675%0.751SS**  trans-110.3-32174.6-85.9-166169.2-132.5-3.6116.7
361V33.2Very low29.7Very low96 Ų96149.6 Ų149.658%0.58274%0.735SS**SBendtrans-72.1-50.3-173.3-174.30000112.7R363 S364V361-R363 VanDerWaalsContact C-N 3.25Å; V361-R363 PolarHBondContact O-N 3.37Å; V361-R363 VanDerWaalsContact O-N 3.09Å; V361-S364 PolarHBondContact O-N 3.01Å
362A30.9Very low30Very low74 Ų74152.4 Ų152.461%0.61273%0.733SS**THydrogen-bonded Turntrans-69.1-10.1-171.600000116.1
363R31.4Very low30.7Very low215 Ų215151.9 Ų151.981%0.81173%0.73SS**THydrogen-bonded Turntrans-91.4-8.9-177.4-90.7-173.5170.8-172.9-3.8115V361 F365V361-R363 VanDerWaalsContact C-N 3.25Å; V361-R363 PolarHBondContact O-N 3.37Å; V361-R363 VanDerWaalsContact O-N 3.09Å; R363-F365 VanDerWaalsContact C-N 3.35Å
364S32.5Very low31Very low104 Ų104152.1 Ų152.173%0.72773%0.727SS**SBendtrans-78.4-17.9177.3-160.60000113.8V361V361-S364 PolarHBondContact O-N 3.01Å
365F34.1Very low31.5Very low116 Ų116148.6 Ų148.651%0.50971%0.707SS.*SBendtrans-89.5-8.6-168-105-86.2000115.9R363 I381R363-F365 VanDerWaalsContact C-N 3.35Å; F365-I381 HydrophobicContact CZ-CG2 4.09Å; F365-I381 WeakPolarHBondContact CZ-O 3.44Å
366I38.1Very low31.9Very low142 Ų142145.7 Ų145.773%0.72871%0.711SS**SBendtrans-112.3-21.4-168.4-63.4177.1000112.8
367N30.3Very low32.3Very low152 Ų152140.9 Ų140.981%0.81370%0.704SS**SBendtrans-109.369.2-174.4-75.110.8000112.6
368G29.3Very low32.7Very low62 Ų62138.6 Ų138.664%0.63969%0.685SS**  trans-17898.5175.300000117.7
369R31.1Very low33.2Very low225 Ų225135.3 Ų135.385%0.84968%0.684SS**  trans50.196.1145.8-61179.2179.8176.6-0.5118.9Q371R369-Q371 PolarHBondContact O-N 3.26Å
370S31.2Very low33.4Very low112 Ų112136.7 Ų136.778%0.78369%0.687SS**SBend35.851.9116.666.80000119.4
371Q33.2Very low33.7Very low124 Ų124130.3 Ų130.358%0.57967%0.669SS**  trans-162.9108.6156-106.7159.4-7.900106.1R369 W374 W375R369-Q371 PolarHBondContact O-N 3.26Å; Q371-W374 HydrophobicContact CB-CH2 4.41Å; Q371-W374 HydrophobicContact CB-CZ2 3.57Å; Q371-W374 HydrophobicContact CG-CZ2 4.44Å; Q371-W374 PolarHBondContact O-NE1 2.82Å; Q371-W374 VanDerWaalsContact OE1-CH2 3.29Å; Q371-W375 WeakPolarHBondContact O-CZ2 3.46Å
372L30.2Very low33.7Very low129 Ų129128.2 Ų128.268%0.67566%0.661SS**  trans-106.5128.5171.2-72.694.8000107.7W375L372-W375 HydrophobicContact CB-CH2 4.47Å; L372-W375 HydrophobicContact CB-CZ3 4.46Å; L372-W375 HydrophobicContact CD2-CH2 4.03Å; L372-W375 HydrophobicContact CD2-CZ3 3.77Å; L372-W375 HydrophobicContact CG-CH2 3.67Å; L372-W375 HydrophobicContact CG-CZ3 3.82Å
373D39Very low34.1Very low144 Ų144129.5 Ų129.577%0.7766%0.663SS**SBendtrans158-36.8153.9-83.7-13.9000110.4W375 A376D373-W375 PolarHBondContact O-N 3.27Å; D373-A376 PolarHBondContact O-N 2.91Å
374W35.5Very low35Very low167 Ų167121.1 Ų121.163%0.63364%0.638SS**THydrogen-bonded Turntrans-60.510.8178.955.2-5.1000117.9Q371Q371-W374 HydrophobicContact CB-CH2 4.41Å; Q371-W374 HydrophobicContact CB-CZ2 3.57Å; Q371-W374 HydrophobicContact CG-CZ2 4.44Å; Q371-W374 PolarHBondContact O-NE1 2.82Å; Q371-W374 VanDerWaalsContact OE1-CH2 3.29Å
375W34.1Very low35.8Very low133 Ų133119.6 Ų119.650%0.50463%0.632SS.*THydrogen-bonded Turntrans-104-9.7178.5-46.4-38.3000113.7Q371 L372 D373 D377Q371-W375 WeakPolarHBondContact O-CZ2 3.46Å; L372-W375 HydrophobicContact CB-CH2 4.47Å; L372-W375 HydrophobicContact CB-CZ3 4.46Å; L372-W375 HydrophobicContact CD2-CH2 4.03Å; L372-W375 HydrophobicContact CD2-CZ3 3.77Å; L372-W375 HydrophobicContact CG-CH2 3.67Å; L372-W375 HydrophobicContact CG-CZ3 3.82Å; D373-W375 PolarHBondContact O-N 3.27Å; W375-D377 VanDerWaalsContact C-N 3.28Å; W375-D377 PolarHBondContact O-N 3.18Å
376A35.6Very low36.7Very low87 Ų87114.3 Ų114.372%0.71961%0.61SS**THydrogen-bonded Turntrans-66.4-29.4-177.100000113.2D373D373-A376 PolarHBondContact O-N 2.91Å
377D36.3Very low37.7Very low156 Ų156109.9 Ų109.983%0.83460%0.595SS**THydrogen-bonded Turntrans-95.7-7.3-168.4-57.9-43.6000114.7W375W375-D377 VanDerWaalsContact C-N 3.28Å; W375-D377 PolarHBondContact O-N 3.18Å
378D35.2Very low39.2Very low38 Ų38106.4 Ų106.420%0.20358%0.576CS.*  trans-111.695177.8-160.6-22.7000112.7R380 I381 A382D378-R380 PolarHBondContact O-N 3.08Å; D378-R380 WeakPolarHBondContact OD1-CB 3.22Å; D378-R380 WeakPolarHBondContact OD1-CG 3.43Å; D378-R380 IonicContact OD1-CZ 2.64Å; D378-R380 PolarHBondContact OD1-N 3.29Å; D378-R380 IonicContact OD1-NE 2.68Å; D378-R380 PolarHBondContact OD1-NE 3.31Å; D378-R380 IonicContact OD1-NH2 3.01Å; D378-R380 IonicContact OD2-CZ 3.11Å; D378-R380 IonicContact OD2-NE 2.79Å; D378-R380 PolarHBondContact OD2-NE 3.19Å; D378-R380 IonicContact OD2-NH2 3.36Å; D378-R380 PolarHBondContact OD2-NH2 3.07Å; D378-I381 HydrophobicContact CB-CB 4.34Å; D378-I381 HydrophobicContact CB-CD1 4.12Å; D378-I381 HydrophobicContact CB-CG1 4.12Å; D378-I381 PolarHBondContact O-N 2.85Å; D378-I381 VanDerWaalsContact OD2-CD1 3.31Å; D378-I381 WeakPolarHBondContact OD2-CD1 3.36Å; D378-A382 PolarHBondContact O-N 3.12Å
379I36.4Very low41.1Very low162 Ų162105.8 Ų105.883%0.83156%0.557SS**THydrogen-bonded Turntrans-51.1-25174.6-76.4172.8000113.2I381I379-I381 VanDerWaalsContact C-N 3.3Å; I379-I381 PolarHBondContact O-N 3.13Å
380R33.7Very low42.8Very low214 Ų21498.6 Ų98.681%0.80854%0.535SS*.THydrogen-bonded Turntrans-78.7-13.7179.5-52.4167.1-66.3-172.33.7113D378D378-R380 PolarHBondContact O-N 3.08Å; D378-R380 WeakPolarHBondContact OD1-CB 3.22Å; D378-R380 WeakPolarHBondContact OD1-CG 3.43Å; D378-R380 IonicContact OD1-CZ 2.64Å; D378-R380 PolarHBondContact OD1-N 3.29Å; D378-R380 IonicContact OD1-NE 2.68Å; D378-R380 PolarHBondContact OD1-NE 3.31Å; D378-R380 IonicContact OD1-NH2 3.01Å; D378-R380 IonicContact OD2-CZ 3.11Å; D378-R380 IonicContact OD2-NE 2.79Å; D378-R380 PolarHBondContact OD2-NE 3.19Å; D378-R380 IonicContact OD2-NH2 3.36Å; D378-R380 PolarHBondContact OD2-NH2 3.07Å
381I36.4Very low44.5Very low85 Ų8593.6 Ų93.644%0.43650%0.501SS..SBendtrans-121.77.1-169.8-45.4-179.3000111.5F365 D378 I379F365-I381 HydrophobicContact CZ-CG2 4.09Å; F365-I381 WeakPolarHBondContact CZ-O 3.44Å; D378-I381 HydrophobicContact CB-CB 4.34Å; D378-I381 HydrophobicContact CB-CD1 4.12Å; D378-I381 HydrophobicContact CB-CG1 4.12Å; D378-I381 PolarHBondContact O-N 2.85Å; D378-I381 VanDerWaalsContact OD2-CD1 3.31Å; D378-I381 WeakPolarHBondContact OD2-CD1 3.36Å; I379-I381 VanDerWaalsContact C-N 3.3Å; I379-I381 PolarHBondContact O-N 3.13Å
382A33.9Very low46.4Very low51 Ų5188.2 Ų88.242%0.42148%0.476SS..SBendtrans-52.8147.7163.200000110.5D378 S384D378-A382 PolarHBondContact O-N 3.12Å; A382-S384 WeakPolarHBondContact O-CA 3.49Å; A382-S384 PolarHBondContact O-N 2.9Å
383P38.5Very low48.9Very low101 Ų10182.1 Ų82.166%0.65645%0.445SS*.SBendtrans-52.1106.3179.8-26.835.2000110.3A385P383-A385 PolarHBondContact O-N 3.47Å
384S49.8Very low51.1Low39 Ų3975.5 Ų75.527%0.27341%0.409SS..  trans-43.5124.5-143.455.30000113.6A382 G386 A387A382-S384 WeakPolarHBondContact O-CA 3.49Å; A382-S384 PolarHBondContact O-N 2.9Å; S384-G386 PolarHBondContact O-N 2.84Å; S384-A387 WeakPolarHBondContact O-CA 3.36Å; S384-A387 WeakPolarHBondContact O-CB 3.22Å; S384-A387 PolarHBondContact O-N 3.46Å
385A49.5Very low53.7Low73 Ų7367.6 Ų67.660%0.60338%0.379SS*.Hα-helixtrans-53.4-31.5-173.900000113.6P383 A387 L388 L389P383-A385 PolarHBondContact O-N 3.47Å; A385-A387 VanDerWaalsContact C-N 3.29Å; A385-A387 PolarHBondContact O-N 2.69Å; A385-L388 WeakPolarHBondContact O-CB 3.28Å; A385-L388 PolarHBondContact O-N 3.28Å; A385-L388 VanDerWaalsContact O-N 3.11Å; A385-L389 PolarHBondContact O-N 3.26Å
386G54Low56.3Low5 Ų561.2 Ų61.25%0.05236%0.355CS..Hα-helixtrans-64.9-25.2172.900000115.5S384 L388 L389 L390S384-G386 PolarHBondContact O-N 2.84Å; G386-L388 VanDerWaalsContact C-N 3.35Å; G386-L389 PolarHBondContact O-N 2.83Å; G386-L390 WeakPolarHBondContact O-CG 3.39Å; G386-L390 PolarHBondContact O-N 2.93Å
387A58.2Low58.8Low49 Ų4957.7 Ų57.741%0.40533%0.325SS..Hα-helixtrans-70-29.917100000112.5S384 A385S384-A387 WeakPolarHBondContact O-CA 3.36Å; S384-A387 WeakPolarHBondContact O-CB 3.22Å; S384-A387 PolarHBondContact O-N 3.46Å; A385-A387 VanDerWaalsContact C-N 3.29Å; A385-A387 PolarHBondContact O-N 2.69Å
388L62.4Low61.2Low79 Ų7950.3 Ų50.341%0.41429%0.285SS..Hα-helixtrans-69.6-39170.8-62.6174.2000110.8A385 G386 L390 H392A385-L388 WeakPolarHBondContact O-CB 3.28Å; A385-L388 PolarHBondContact O-N 3.28Å; A385-L388 VanDerWaalsContact O-N 3.11Å; G386-L388 VanDerWaalsContact C-N 3.35Å; L388-L390 VanDerWaalsContact C-N 3.27Å; L388-L390 PolarHBondContact O-N 2.95Å; L388-H392 PolarHBondContact O-CE1 3.25Å; L388-H392 PolarHBondContact O-ND1 2.87Å
389L68.1Low63.6Low49 Ų4953 Ų5326%0.25729%0.293SS..Hα-helixtrans-66.4-21.7178.5-69.2174.4000113.9A385 G386 G391 H392 V410 F419 V441A385-L389 PolarHBondContact O-N 3.26Å; G386-L389 PolarHBondContact O-N 2.83Å; L389-G391 PolarHBondContact O-N 2.98Å; L389-H392 VanDerWaalsContact O-CB 3.26Å; L389-H392 WeakPolarHBondContact O-CB 3.35Å; L389-H392 PolarHBondContact O-N 3.46Å; L389-H392 VanDerWaalsContact O-N 3.07Å; L389-H392 PolarHBondContact O-ND1 3.03Å; L389-V410 VanDerWaalsContact O-CB 3.24Å; L389-V410 WeakPolarHBondContact O-CB 3.19Å; L389-V410 WeakPolarHBondContact O-CG2 3.42Å; L389-F419 HydrophobicContact CB-CE1 4.26Å; L389-F419 HydrophobicContact CD1-CE1 4.11Å; L389-F419 HydrophobicContact CD1-CE2 4.05Å; L389-F419 HydrophobicContact CD1-CZ 3.78Å; L389-V441 HydrophobicContact CD1-CG2 3.96Å
390L66.8Low65.8Low73 Ų7349.8 Ų49.838%0.38228%0.278SS..THydrogen-bonded Turntrans-59134.3-179.2-58.6-173.4000112G386 L388 H392 V410G386-L390 WeakPolarHBondContact O-CG 3.39Å; G386-L390 PolarHBondContact O-N 2.93Å; L388-L390 VanDerWaalsContact C-N 3.27Å; L388-L390 PolarHBondContact O-N 2.95Å; L390-H392 PolarHBondContact O-N 3.44Å; L390-V410 HydrophobicContact CD2-CG1 4.02Å
391G68.3Low68Low7 Ų743.4 Ų43.47%0.07226%0.257CS..THydrogen-bonded Turntrans72.44.1-177.400000115.3N149 L389 V410N149-G391 PolarHBondContact ND2-O 3.26Å; L389-G391 PolarHBondContact O-N 2.98Å; G391-V410 WeakPolarHBondContact CA-O 3.36Å; G391-V410 PolarHBondContact N-O 3.11Å
392H72.4Confident69.8Low11 Ų1142.1 Ų42.15%0.05126%0.264CS..  trans-72143.7172.4-80.558.8000111.7T146 L388 L389 L390 V394 T409 V410T146-H392 WeakPolarHBondContact CG2-NE2 3.26Å; T146-H392 PolarHBondContact O-NE2 3.1Å; T146-H392 VanDerWaalsContact O-NE2 3.1Å; L388-H392 PolarHBondContact O-CE1 3.25Å; L388-H392 PolarHBondContact O-ND1 2.87Å; L389-H392 VanDerWaalsContact O-CB 3.26Å; L389-H392 WeakPolarHBondContact O-CB 3.35Å; L389-H392 PolarHBondContact O-N 3.46Å; L389-H392 VanDerWaalsContact O-N 3.07Å; L389-H392 PolarHBondContact O-ND1 3.03Å; L390-H392 PolarHBondContact O-N 3.44Å; H392-V394 HydrophobicContact CB-CG1 4.46Å; H392-T409 WeakPolarHBondContact O-CA 3.37Å; H392-V410 HydrophobicContact CB-CG2 4.43Å; H392-V410 PolarHBondContact O-N 3.48Å
393T82.8Confident71.7Confident2 Ų240.9 Ų40.91%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-82.4126.9164.4-61.30000108.4N149 M407 G408 Y447 K478N149-T393 PolarHBondContact ND2-N 2.8Å; N149-T393 PolarHBondContact ND2-OG1 3.11Å; N149-T393 PolarHBondContact OD1-OG1 3.38Å; T393-M407 HydrophobicContact CG2-CE 4.26Å; T393-M407 HydrophobicContact CG2-CG 3.5Å; T393-M407 VanDerWaalsContact CG2-CG 3.5Å; T393-M407 HydrophobicContact CG2-SD 3.64Å; T393-G408 CarbonylContact C-O 3.58Å; T393-G408 WeakPolarHBondContact CA-O 3.48Å; T393-Y447 HydrophobicContact CG2-CD1 4.31Å; T393-Y447 HydrophobicContact CG2-CG 4.08Å; T393-Y447 WeakPolarHBondContact O-CB 3.41Å; T393-K478 HydrophobicContact CG2-CD 4.5Å; T393-K478 PolarHBondContact OG1-NZ 2.77Å
394V86.2Confident73.8Confident5 Ų540.1 Ų40.13%0.0324%0.237CC..EExtended strand (participates in β ladder)trans-128.7157.6-178.9-670000109.5H392 M407 G408 V410 I421 L444 L445H392-V394 HydrophobicContact CB-CG1 4.46Å; V394-M407 WeakPolarHBondContact O-CA 3.49Å; V394-G408 PolarHBondContact N-O 2.96Å; V394-G408 PolarHBondContact O-N 3.31Å; V394-V410 HydrophobicContact CG1-CG2 3.97Å; V394-V410 HydrophobicContact CG2-CG2 4.15Å; V394-I421 HydrophobicContact CG2-CD1 4.23Å; V394-I421 HydrophobicContact CG2-CG2 4.27Å; V394-L444 HydrophobicContact CG2-CD2 4.32Å; V394-L445 CarbonylContact C-O 3.53Å; V394-L445 WeakPolarHBondContact CA-O 3.44Å
395L88.5Confident75.6Confident0 Ų038.8 Ų38.80%023%0.226CC..EExtended strand (participates in β ladder)trans-96.7130.3159.9-65.2166000107.3F406 M407 L445 Y447 L462 Y484 I536L395-F406 WeakPolarHBondContact CA-O 3.46Å; L395-M407 HydrophobicContact CD2-CB 4.33Å; L395-L445 HydrophobicContact CB-CB 4.08Å; L395-L445 PolarHBondContact N-O 3.35Å; L395-L445 PolarHBondContact O-N 2.88Å; L395-Y447 HydrophobicContact CG-CD2 4.44Å; L395-L462 HydrophobicContact CD1-CD1 3.82Å; L395-Y484 HydrophobicContact CD2-CD1 4.43Å; L395-Y484 HydrophobicContact CD2-CD2 3.8Å; L395-Y484 HydrophobicContact CD2-CE1 4.5Å; L395-Y484 HydrophobicContact CD2-CE2 3.89Å; L395-Y484 HydrophobicContact CD2-CG 4.09Å; L395-I536 HydrophobicContact CD1-CD1 3.88Å; L395-I536 HydrophobicContact CD1-CG2 4.45Å
396A89.2Confident77.5Confident0 Ų035.5 Ų35.50%020%0.199CC..EExtended strand (participates in β ladder)trans-144.5151.4-177.600000110.9K398 F406 I421 F423 L444A396-K398 PolarHBondContact O-N 2.99Å; A396-F406 PolarHBondContact N-O 3.45Å; A396-F406 PolarHBondContact O-N 3.05Å; A396-I421 HydrophobicContact CB-CG2 4.45Å; A396-F423 HydrophobicContact CB-CE1 3.98Å; A396-F423 HydrophobicContact CB-CZ 4.2Å; A396-L444 HydrophobicContact CB-CD2 3.81Å
397P87.6Confident79.1Confident12 Ų1235.2 Ų35.28%0.07820%0.196CC..EExtended strand (participates in β ladder)trans-72.2120.6177.628.7-33.8000110.5Y399 S403 R404 L405 Q437 E443P397-Y399 HydrophobicContact CB-CD1 4.5Å; P397-Y399 HydrophobicContact CB-CE1 4.2Å; P397-Y399 HydrophobicContact CG-CE1 3.84Å; P397-Y399 PolarHBondContact O-N 2.88Å; P397-S403 VanDerWaalsContact CB-O 3.26Å; P397-S403 WeakPolarHBondContact CB-O 3.3Å; P397-R404 WeakPolarHBondContact CA-O 3.46Å; P397-L405 HydrophobicContact CB-CD2 4.43Å; P397-Q437 PolarHBondContact O-NE2 2.84Å; P397-E443 WeakPolarHBondContact CD-O 3.21Å; P397-E443 HydrophobicContact CG-CB 4.11Å
398K88.2Confident80.5Confident2 Ų232.9 Ų32.91%0.00918%0.177CC..  trans-87.4107.5177.4-164.9-162.6-171.5-174.70109.7A396 N400 E401 S403 R404 F406 F423 N435A396-K398 PolarHBondContact O-N 2.99Å; K398-N400 VanDerWaalsContact C-N 3.33Å; K398-N400 WeakPolarHBondContact CD-OD1 3.49Å; K398-N400 VanDerWaalsContact CE-OD1 3.23Å; K398-N400 WeakPolarHBondContact CE-OD1 3.37Å; K398-N400 VanDerWaalsContact CG-OD1 3.27Å; K398-N400 WeakPolarHBondContact CG-OD1 3.4Å; K398-N400 PolarHBondContact O-N 3.1Å; K398-E401 HydrophobicContact CD-CB 4.16Å; K398-E401 HydrophobicContact CD-CG 4.26Å; K398-E401 VanDerWaalsContact CD-OE2 3.22Å; K398-E401 WeakPolarHBondContact CD-OE2 3.43Å; K398-E401 IonicContact NZ-OE1 2.79Å; K398-E401 PolarHBondContact NZ-OE1 2.97Å; K398-E401 IonicContact NZ-OE2 3.24Å; K398-E401 PolarHBondContact NZ-OE2 2.85Å; K398-E401 PolarHBondContact O-N 3.01Å; K398-E401 VanDerWaalsContact O-N 3.12Å; K398-S403 WeakPolarHBondContact O-CA 3.3Å; K398-S403 PolarHBondContact O-N 2.96Å; K398-S403 VanDerWaalsContact O-N 3.17Å; K398-R404 PolarHBondContact N-O 2.7Å; K398-F406 HydrophobicContact CB-CB 4.48Å; K398-F406 HydrophobicContact CB-CD2 3.31Å; K398-F406 HydrophobicContact CB-CE2 3.71Å; K398-F406 HydrophobicContact CB-CG 4.14Å; K398-F406 HydrophobicContact CD-CD2 4.01Å; K398-F406 HydrophobicContact CD-CE2 3.99Å; K398-F406 HydrophobicContact CD-CG 4.39Å; K398-F406 HydrophobicContact CD-CZ 4.36Å; K398-F406 HydrophobicContact CG-CD2 4.27Å; K398-F423 HydrophobicContact CB-CD2 4.42Å; K398-F423 HydrophobicContact CB-CE1 4.19Å; K398-F423 HydrophobicContact CB-CE2 4.04Å; K398-F423 HydrophobicContact CB-CZ 3.91Å; K398-F423 HydrophobicContact CD-CD2 4.29Å; K398-F423 HydrophobicContact CD-CG 4.46Å; K398-F423 HydrophobicContact CG-CD2 3.74Å; K398-F423 HydrophobicContact CG-CE2 3.65Å; K398-F423 HydrophobicContact CG-CG 4.22Å; K398-F423 HydrophobicContact CG-CZ 4.06Å; K398-N435 WeakPolarHBondContact CE-OD1 3.46Å; K398-N435 PolarHBondContact NZ-OD1 3.23Å
399Y85.1Confident81.6Confident95 Ų9529.2 Ų29.237%0.37316%0.158SC..G310 helixtrans-68.4-26.7-164-56.4-49.4000114.4P397 E401 Q437 E438 E443P397-Y399 HydrophobicContact CB-CD1 4.5Å; P397-Y399 HydrophobicContact CB-CE1 4.2Å; P397-Y399 HydrophobicContact CG-CE1 3.84Å; P397-Y399 PolarHBondContact O-N 2.88Å; Y399-E401 VanDerWaalsContact C-N 3.34Å; Y399-Q437 HydrophobicContact CD2-CG 4.44Å; Y399-Q437 HydrophobicContact CE2-CG 4.48Å; Y399-Q437 VanDerWaalsContact CE2-NE2 3.27Å; Y399-Q437 VanDerWaalsContact N-OE1 3.09Å; Y399-E438 WeakPolarHBondContact CE2-O 3.32Å; Y399-E443 PolarHBondContact OH-OE2 3.29Å
400N83Confident82.3Confident94 Ų9427 Ų2750%0.50315%0.146SC..G310 helixtrans-79.1-12176.259.9-4.4000114.2K398 E434K398-N400 VanDerWaalsContact C-N 3.33Å; K398-N400 WeakPolarHBondContact CD-OD1 3.49Å; K398-N400 VanDerWaalsContact CE-OD1 3.23Å; K398-N400 WeakPolarHBondContact CE-OD1 3.37Å; K398-N400 VanDerWaalsContact CG-OD1 3.27Å; K398-N400 WeakPolarHBondContact CG-OD1 3.4Å; K398-N400 PolarHBondContact O-N 3.1Å; N400-E434 PolarHBondContact ND2-O 3.08Å
401E79.7Confident82.9Confident80 Ų8027 Ų2737%0.37415%0.146SC..G310 helixtrans-116.648.9178.2-76.2161.2-155.100110.8K398 Y399 S403 R404 F406K398-E401 HydrophobicContact CD-CB 4.16Å; K398-E401 HydrophobicContact CD-CG 4.26Å; K398-E401 VanDerWaalsContact CD-OE2 3.22Å; K398-E401 WeakPolarHBondContact CD-OE2 3.43Å; K398-E401 IonicContact NZ-OE1 2.79Å; K398-E401 PolarHBondContact NZ-OE1 2.97Å; K398-E401 IonicContact NZ-OE2 3.24Å; K398-E401 PolarHBondContact NZ-OE2 2.85Å; K398-E401 PolarHBondContact O-N 3.01Å; K398-E401 VanDerWaalsContact O-N 3.12Å; Y399-E401 VanDerWaalsContact C-N 3.34Å; E401-S403 VanDerWaalsContact C-N 3.31Å; E401-S403 PolarHBondContact O-N 3.1Å; E401-R404 WeakPolarHBondContact O-CG 3.1Å; E401-R404 PolarHBondContact O-N 2.9Å; E401-F406 HydrophobicContact CB-CE2 3.91Å; E401-F406 HydrophobicContact CB-CZ 4.06Å; E401-F406 WeakPolarHBondContact OE2-CZ 3.49Å
402G74Confident83.3Confident57 Ų5728.7 Ų28.759%0.58816%0.157SC*.THydrogen-bonded Turntrans67.626.7173.700000114.5R404G402-R404 PolarHBondContact O-N 3.29Å; G402-R404 VanDerWaalsContact O-N 3.1Å
403S74.4Confident83.5Confident26 Ų2630.5 Ų30.518%0.18217%0.165CC..THydrogen-bonded Turntrans58.416.4-175-57.50000114.7P397 K398 E401 I552P397-S403 VanDerWaalsContact CB-O 3.26Å; P397-S403 WeakPolarHBondContact CB-O 3.3Å; K398-S403 WeakPolarHBondContact O-CA 3.3Å; K398-S403 PolarHBondContact O-N 2.96Å; K398-S403 VanDerWaalsContact O-N 3.17Å; E401-S403 VanDerWaalsContact C-N 3.31Å; E401-S403 PolarHBondContact O-N 3.1Å; S403-I552 WeakPolarHBondContact O-CD1 3.31Å; S403-I552 WeakPolarHBondContact O-CG1 3.27Å
404R81.3Confident83.2Confident85 Ų8533.7 Ų33.732%0.32119%0.185SC..  trans-57.7150174.8-66.9172.5175.2-153.5-7110.3P397 K398 E401 G402 F406 P483 Y485P397-R404 WeakPolarHBondContact CA-O 3.46Å; K398-R404 PolarHBondContact N-O 2.7Å; E401-R404 WeakPolarHBondContact O-CG 3.1Å; E401-R404 PolarHBondContact O-N 2.9Å; G402-R404 PolarHBondContact O-N 3.29Å; G402-R404 VanDerWaalsContact O-N 3.1Å; R404-F406 HydrophobicContact CB-CD2 4.41Å; R404-F406 HydrophobicContact CB-CE2 3.82Å; R404-F406 VanDerWaalsContact O-CD2 3.23Å; R404-F406 WeakPolarHBondContact O-CD2 3.42Å; R404-P483 HydrophobicContact CB-CB 4.37Å; R404-Y485 PolarHBondContact NH1-OH 2.79Å
405L87.2Confident82.6Confident10 Ų1036.4 Ų36.45%0.05220%0.199CC..EExtended strand (participates in β ladder)trans-76.7128.3178.2-70.9-177.2000111.1P397 L445 L462 P483 Y484 L548 I552P397-L405 HydrophobicContact CB-CD2 4.43Å; L405-L445 HydrophobicContact CD1-CD1 3.94Å; L405-L462 HydrophobicContact CD1-CD1 3.75Å; L405-L462 HydrophobicContact CD1-CD2 4.2Å; L405-P483 WeakPolarHBondContact O-CA 3.25Å; L405-Y484 PolarHBondContact O-N 2.94Å; L405-L548 HydrophobicContact CD1-CD2 3.77Å; L405-L548 HydrophobicContact CG-CD2 4.34Å; L405-I552 HydrophobicContact CG-CD1 4.43Å
406F89.4Confident81.6Confident4 Ų446.1 Ų46.12%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-125.9153.4174-72.3-96.9000110.9L395 A396 K398 E401 R404 F423 V482 P483L395-F406 WeakPolarHBondContact CA-O 3.46Å; A396-F406 PolarHBondContact N-O 3.45Å; A396-F406 PolarHBondContact O-N 3.05Å; K398-F406 HydrophobicContact CB-CB 4.48Å; K398-F406 HydrophobicContact CB-CD2 3.31Å; K398-F406 HydrophobicContact CB-CE2 3.71Å; K398-F406 HydrophobicContact CB-CG 4.14Å; K398-F406 HydrophobicContact CD-CD2 4.01Å; K398-F406 HydrophobicContact CD-CE2 3.99Å; K398-F406 HydrophobicContact CD-CG 4.39Å; K398-F406 HydrophobicContact CD-CZ 4.36Å; K398-F406 HydrophobicContact CG-CD2 4.27Å; E401-F406 HydrophobicContact CB-CE2 3.91Å; E401-F406 HydrophobicContact CB-CZ 4.06Å; E401-F406 WeakPolarHBondContact OE2-CZ 3.49Å; R404-F406 HydrophobicContact CB-CD2 4.41Å; R404-F406 HydrophobicContact CB-CE2 3.82Å; R404-F406 VanDerWaalsContact O-CD2 3.23Å; R404-F406 WeakPolarHBondContact O-CD2 3.42Å; F406-F423 HydrophobicContact CB-CD1 3.53Å; F406-F423 HydrophobicContact CB-CE1 3.92Å; F406-F423 HydrophobicContact CB-CG 4.39Å; F406-V482 VanDerWaalsContact CD1-C 3.42Å; F406-V482 WeakPolarHBondContact CD1-O 3.31Å; F406-P483 HydrophobicContact CE1-CB 3.92Å; F406-P483 HydrophobicContact CE1-CG 4.34Å; F406-P483 VanDerWaalsContact CE1-N 3.35Å; F406-P483 HydrophobicContact CE2-CB 4.27Å; F406-P483 HydrophobicContact CZ-CB 3.77Å; F406-P483 HydrophobicContact CZ-CG 4.36Å
407M88.8Confident80.9Confident0 Ų048.2 Ų48.20%025%0.251CS..EExtended strand (participates in β ladder)trans-70.7130.5166.7-174.8178.3-66.900110.2T393 V394 L395 Y447 K478 Y480 Y484T393-M407 HydrophobicContact CG2-CE 4.26Å; T393-M407 HydrophobicContact CG2-CG 3.5Å; T393-M407 VanDerWaalsContact CG2-CG 3.5Å; T393-M407 HydrophobicContact CG2-SD 3.64Å; V394-M407 WeakPolarHBondContact O-CA 3.49Å; L395-M407 HydrophobicContact CD2-CB 4.33Å; M407-Y447 HydrophobicContact CE-CD2 3.59Å; M407-Y447 HydrophobicContact CE-CE2 3.28Å; M407-Y447 HydrophobicContact CE-CG 4.41Å; M407-K478 HydrophobicContact CE-CB 4.34Å; M407-K478 HydrophobicContact CE-CG 4.2Å; M407-K478 HydrophobicContact SD-CB 3.61Å; M407-K478 HydrophobicContact SD-CD 3.82Å; M407-K478 HydrophobicContact SD-CG 3.77Å; M407-Y480 HydrophobicContact CB-CD1 4.23Å; M407-Y480 HydrophobicContact CG-CD1 3.84Å; M407-Y480 HydrophobicContact CG-CE1 3.65Å; M407-Y480 HydrophobicContact SD-CD1 4.06Å; M407-Y480 HydrophobicContact SD-CE1 3.73Å; M407-Y480 HydrophobicContact SD-CE2 4.28Å; M407-Y480 HydrophobicContact SD-CG 4.45Å; M407-Y484 HydrophobicContact CB-CE2 4.18Å; M407-Y484 WeakPolarHBondContact CE-OH 3.42Å
408G87.3Confident80.5Confident0 Ų048.1 Ų48.10%025%0.25CS..EExtended strand (participates in β ladder)trans-142.8174.7173.600000113.1T393 V394 C422T393-G408 CarbonylContact C-O 3.58Å; T393-G408 WeakPolarHBondContact CA-O 3.48Å; V394-G408 PolarHBondContact N-O 2.96Å; V394-G408 PolarHBondContact O-N 3.31Å; G408-C422 CarbonylContact C-O 3.54Å; G408-C422 WeakPolarHBondContact CA-O 3.42Å
409T86.2Confident80.3Confident2 Ų248.1 Ų48.11%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-121.9131.5178.4-54.80000110.4V121 H392 L411 C422 P426V121-T409 HydrophobicContact CG1-CG2 4.47Å; H392-T409 WeakPolarHBondContact O-CA 3.37Å; T409-L411 PolarHBondContact O-N 2.91Å; T409-C422 PolarHBondContact N-O 3.13Å; T409-C422 PolarHBondContact O-N 3.4Å; T409-P426 HydrophobicContact CG2-CB 4.45Å
410V82.9Confident80.4Confident2 Ų245.8 Ų45.81%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-69.9117.5175.3-1750000109.8L389 L390 G391 H392 V394 F419 I421L389-V410 VanDerWaalsContact O-CB 3.24Å; L389-V410 WeakPolarHBondContact O-CB 3.19Å; L389-V410 WeakPolarHBondContact O-CG2 3.42Å; L390-V410 HydrophobicContact CD2-CG1 4.02Å; G391-V410 WeakPolarHBondContact CA-O 3.36Å; G391-V410 PolarHBondContact N-O 3.11Å; H392-V410 HydrophobicContact CB-CG2 4.43Å; H392-V410 PolarHBondContact O-N 3.48Å; V394-V410 HydrophobicContact CG1-CG2 3.97Å; V394-V410 HydrophobicContact CG2-CG2 4.15Å; V410-F419 HydrophobicContact CG1-CB 4.26Å; V410-F419 HydrophobicContact CG1-CD1 3.8Å; V410-F419 HydrophobicContact CG1-CG 4.38Å; V410-I421 HydrophobicContact CB-CD1 4.27Å; V410-I421 HydrophobicContact CG1-CD1 4.41Å; V410-I421 HydrophobicContact CG2-CD1 3.79Å
411L79.4Confident80.7Confident72 Ų7241.3 Ų41.338%0.37722%0.22SC..EExtended strand (participates in β ladder)trans-93.8-39.3-179.5-63.5-169.3000113.7T409 I420 C422 I436T409-L411 PolarHBondContact O-N 2.91Å; L411-I420 HydrophobicContact CB-CB 4.4Å; L411-I420 HydrophobicContact CB-CG2 4.31Å; L411-I420 HydrophobicContact CD1-CG2 4.43Å; L411-I420 PolarHBondContact N-O 3.4Å; L411-C422 HydrophobicContact CD1-CB 3.65Å; L411-C422 HydrophobicContact CD2-CB 3.91Å; L411-C422 HydrophobicContact CG-CB 3.66Å; L411-I436 HydrophobicContact CD1-CD1 4.39Å
412S76.3Confident81.1Confident43 Ų4337.5 Ų37.530%0.30120%0.202SC..EExtended strand (participates in β ladder)trans-158.4158.8-175.1-151.60000111.3F419 I420S412-F419 CarbonylContact O-C 3.51Å; S412-F419 WeakPolarHBondContact O-CA 3.28Å; S412-I420 PolarHBondContact O-N 3.38Å
413Q76.2Confident81.9Confident50 Ų5034.8 Ų34.823%0.23417%0.174CC..EExtended strand (participates in β ladder)trans-91.7137.8164.9-173.8169.311.400108.5D415 F419Q413-D415 WeakPolarHBondContact CG-O 3.3Å; Q413-D415 PolarHBondContact NE2-O 2.76Å; Q413-F419 HydrophobicContact CB-CD1 3.98Å; Q413-F419 HydrophobicContact CB-CE1 3.65Å; Q413-F419 HydrophobicContact CB-CZ 4.39Å; Q413-F419 HydrophobicContact CG-CD1 4.21Å; Q413-F419 HydrophobicContact CG-CE1 3.64Å; Q413-F419 HydrophobicContact CG-CZ 3.86Å
414V76.1Confident82.4Confident69 Ų6934.2 Ų34.242%0.41817%0.169SC..  trans-97.6-53.9176-175.10000109.5T418 I420 E438V414-T418 HydrophobicContact CB-CG2 4.4Å; V414-T418 HydrophobicContact CG2-CG2 4.48Å; V414-T418 PolarHBondContact N-O 2.8Å; V414-I420 HydrophobicContact CG2-CD1 4.16Å; V414-I420 HydrophobicContact CG2-CG1 3.48Å; V414-I420 VanDerWaalsContact CG2-CG1 3.48Å; V414-E438 HydrophobicContact CG2-CG 4.07Å
415D73.4Confident82.2Confident62 Ų6232.9 Ų32.933%0.33217%0.168SC..SBendtrans-138.7-170.2177.468.255.7000110.4Q413 C417 T418Q413-D415 WeakPolarHBondContact CG-O 3.3Å; Q413-D415 PolarHBondContact NE2-O 2.76Å; D415-C417 PolarHBondContact O-N 3.37Å; D415-C417 WeakPolarHBondContact OD1-CA 3.34Å; D415-C417 PolarHBondContact OD1-N 2.73Å; D415-T418 VanDerWaalsContact CG-OG1 3.28Å; D415-T418 PolarHBondContact N-O 2.93Å; D415-T418 PolarHBondContact OD1-N 2.79Å; D415-T418 PolarHBondContact OD1-OG1 3.1Å; D415-T418 WeakPolarHBondContact OD2-CB 3.39Å; D415-T418 PolarHBondContact OD2-OG1 3.01Å
416Y67.5Low81.4Confident203 Ų20333.2 Ų33.280%0.79617%0.171SC*.SBendtrans-63-23.2-177.163.9-87.7000114.6
417C74.7Confident80.3Confident45 Ų4536.3 Ų36.330%0.30419%0.187SC..SBendtrans-121-12.8179.8-86.90000114.6D415 H440 V441D415-C417 PolarHBondContact O-N 3.37Å; D415-C417 WeakPolarHBondContact OD1-CA 3.34Å; D415-C417 PolarHBondContact OD1-N 2.73Å; C417-H440 CarbonylContact O-C 3.58Å; C417-H440 WeakPolarHBondContact O-CA 3.31Å; C417-V441 HydrophobicContact CB-CG1 4.27Å; C417-V441 WeakPolarHBondContact O-CB 3.43Å; C417-V441 PolarHBondContact O-N 2.85Å
418T79.6Confident79.5Confident9 Ų938.1 Ų38.16%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-113.2138-172-46.10000113V414 D415 E438 H440V414-T418 HydrophobicContact CB-CG2 4.4Å; V414-T418 HydrophobicContact CG2-CG2 4.48Å; V414-T418 PolarHBondContact N-O 2.8Å; D415-T418 VanDerWaalsContact CG-OG1 3.28Å; D415-T418 PolarHBondContact N-O 2.93Å; D415-T418 PolarHBondContact OD1-N 2.79Å; D415-T418 PolarHBondContact OD1-OG1 3.1Å; D415-T418 WeakPolarHBondContact OD2-CB 3.39Å; D415-T418 PolarHBondContact OD2-OG1 3.01Å; T418-E438 HydrophobicContact CG2-CB 4.02Å; T418-H440 PolarHBondContact OG1-CE1 2.04Å; T418-H440 PolarHBondContact OG1-ND1 3.34Å
419F84.8Confident78Confident3 Ų346 Ų461%0.01324%0.242CC..EExtended strand (participates in β ladder)trans-131.9144.6-173.8-69.1-91.2000112.2L389 V410 S412 Q413 I421 E438 T439 V441 L444L389-F419 HydrophobicContact CB-CE1 4.26Å; L389-F419 HydrophobicContact CD1-CE1 4.11Å; L389-F419 HydrophobicContact CD1-CE2 4.05Å; L389-F419 HydrophobicContact CD1-CZ 3.78Å; V410-F419 HydrophobicContact CG1-CB 4.26Å; V410-F419 HydrophobicContact CG1-CD1 3.8Å; V410-F419 HydrophobicContact CG1-CG 4.38Å; S412-F419 CarbonylContact O-C 3.51Å; S412-F419 WeakPolarHBondContact O-CA 3.28Å; Q413-F419 HydrophobicContact CB-CD1 3.98Å; Q413-F419 HydrophobicContact CB-CE1 3.65Å; Q413-F419 HydrophobicContact CB-CZ 4.39Å; Q413-F419 HydrophobicContact CG-CD1 4.21Å; Q413-F419 HydrophobicContact CG-CE1 3.64Å; Q413-F419 HydrophobicContact CG-CZ 3.86Å; F419-I421 HydrophobicContact CB-CD1 4.12Å; F419-E438 CarbonylContact O-C 3.55Å; F419-E438 WeakPolarHBondContact O-CA 3.38Å; F419-T439 PolarHBondContact N-O 2.99Å; F419-T439 PolarHBondContact O-N 3.37Å; F419-V441 HydrophobicContact CD2-CB 4.12Å; F419-V441 HydrophobicContact CE2-CB 3.91Å; F419-V441 HydrophobicContact CE2-CG2 4.09Å; F419-L444 HydrophobicContact CB-CD1 4.27Å; F419-L444 HydrophobicContact CD2-CD1 4.27Å; F419-L444 HydrophobicContact CG-CD1 4.39Å
420I85.6Confident77Confident45 Ų4551.7 Ų51.723%0.23127%0.271CS..EExtended strand (participates in β ladder)trans-83.1119.6171.7-52.1-174.4000108.7L411 S412 V414 I436 Q437 E438L411-I420 HydrophobicContact CB-CB 4.4Å; L411-I420 HydrophobicContact CB-CG2 4.31Å; L411-I420 HydrophobicContact CD1-CG2 4.43Å; L411-I420 PolarHBondContact N-O 3.4Å; S412-I420 PolarHBondContact O-N 3.38Å; V414-I420 HydrophobicContact CG2-CD1 4.16Å; V414-I420 HydrophobicContact CG2-CG1 3.48Å; V414-I420 VanDerWaalsContact CG2-CG1 3.48Å; I420-I436 HydrophobicContact CG2-CG2 3.49Å; I420-I436 VanDerWaalsContact CG2-CG2 3.49Å; I420-Q437 CarbonylContact C-O 3.57Å; I420-Q437 WeakPolarHBondContact CA-O 3.46Å; I420-E438 HydrophobicContact CG1-CG 4.31Å
421I89Confident76.4Confident0 Ų055.1 Ų55.10%029%0.286CS..EExtended strand (participates in β ladder)trans-109.7142.4179-49.9-56.4000109.9V394 A396 V410 F419 F423 I436 Q437 T439 L444V394-I421 HydrophobicContact CG2-CD1 4.23Å; V394-I421 HydrophobicContact CG2-CG2 4.27Å; A396-I421 HydrophobicContact CB-CG2 4.45Å; V410-I421 HydrophobicContact CB-CD1 4.27Å; V410-I421 HydrophobicContact CG1-CD1 4.41Å; V410-I421 HydrophobicContact CG2-CD1 3.79Å; F419-I421 HydrophobicContact CB-CD1 4.12Å; I421-F423 HydrophobicContact CG2-CE1 4.14Å; I421-F423 HydrophobicContact CG2-CE2 4.45Å; I421-F423 HydrophobicContact CG2-CZ 4.11Å; I421-I436 VanDerWaalsContact O-CA 3.3Å; I421-I436 WeakPolarHBondContact O-CA 3.41Å; I421-Q437 PolarHBondContact N-O 3.11Å; I421-Q437 PolarHBondContact O-N 3.41Å; I421-T439 WeakPolarHBondContact CG1-OG1 3.32Å; I421-L444 HydrophobicContact CD1-CD1 4.06Å; I421-L444 HydrophobicContact CD1-CD2 3.75Å; I421-L444 HydrophobicContact CG1-CD2 3.89Å
422C89Confident76.3Confident0 Ų055.4 Ų55.40%029%0.285CS..EExtended strand (participates in β ladder)trans-121.5118.3175.8169.80000110G408 T409 L411 N435 I436G408-C422 CarbonylContact C-O 3.54Å; G408-C422 WeakPolarHBondContact CA-O 3.42Å; T409-C422 PolarHBondContact N-O 3.13Å; T409-C422 PolarHBondContact O-N 3.4Å; L411-C422 HydrophobicContact CD1-CB 3.65Å; L411-C422 HydrophobicContact CD2-CB 3.91Å; L411-C422 HydrophobicContact CG-CB 3.66Å; C422-N435 WeakPolarHBondContact CA-O 3.16Å; C422-I436 HydrophobicContact CB-CG1 4.25Å
423F90.3Very high76.3Confident1 Ų164 Ų640%0.00431%0.311CS..  trans-86.1-9-175.5-63.2-77000114.8A396 K398 F406 I421 N435 Q437 Y480 L481A396-F423 HydrophobicContact CB-CE1 3.98Å; A396-F423 HydrophobicContact CB-CZ 4.2Å; K398-F423 HydrophobicContact CB-CD2 4.42Å; K398-F423 HydrophobicContact CB-CE1 4.19Å; K398-F423 HydrophobicContact CB-CE2 4.04Å; K398-F423 HydrophobicContact CB-CZ 3.91Å; K398-F423 HydrophobicContact CD-CD2 4.29Å; K398-F423 HydrophobicContact CD-CG 4.46Å; K398-F423 HydrophobicContact CG-CD2 3.74Å; K398-F423 HydrophobicContact CG-CE2 3.65Å; K398-F423 HydrophobicContact CG-CG 4.22Å; K398-F423 HydrophobicContact CG-CZ 4.06Å; F406-F423 HydrophobicContact CB-CD1 3.53Å; F406-F423 HydrophobicContact CB-CE1 3.92Å; F406-F423 HydrophobicContact CB-CG 4.39Å; I421-F423 HydrophobicContact CG2-CE1 4.14Å; I421-F423 HydrophobicContact CG2-CE2 4.45Å; I421-F423 HydrophobicContact CG2-CZ 4.11Å; F423-N435 WeakPolarHBondContact CD2-O 3.35Å; F423-N435 PolarHBondContact N-O 3.48Å; F423-Q437 HydrophobicContact CE2-CG 3.75Å; F423-Q437 HydrophobicContact CZ-CG 4.24Å; F423-Y480 WeakPolarHBondContact O-CB 3.5Å; F423-L481 HydrophobicContact CB-CD2 4Å; F423-L481 PolarHBondContact O-N 2.89Å
424E85.4Confident76.6Confident14 Ų1466.9 Ų66.97%0.06533%0.325CS..SBendtrans-77.2157.4170.3-72.6161.2150.900111.6K431 H432 N435 L481E424-K431 WeakPolarHBondContact OE2-CA 3.37Å; E424-H432 WeakPolarHBondContact OE1-CB 3.34Å; E424-H432 IonicContact OE1-CD2 2.8Å; E424-H432 PolarHBondContact OE1-CD2 3.12Å; E424-H432 IonicContact OE1-CG 3.54Å; E424-H432 PolarHBondContact OE1-N 3.22Å; E424-H432 PolarHBondContact OE2-N 3.46Å; E424-N435 HydrophobicContact CG-CB 3.75Å; E424-N435 PolarHBondContact OE1-ND2 2.99Å; E424-L481 HydrophobicContact CG-CD1 4.05Å; E424-L481 HydrophobicContact CG-CD2 4.15Å; E424-L481 HydrophobicContact CG-CG 4.31Å
425D78.3Confident77.1Confident56 Ų5664.4 Ų64.430%0.29931%0.309SS..  trans-52.3125.2168.3-177.7-7000109N427 S428 Y480D425-N427 VanDerWaalsContact CG-ND2 3.27Å; D425-N427 PolarHBondContact O-N 3.42Å; D425-N427 WeakPolarHBondContact OD1-CB 3.46Å; D425-N427 PolarHBondContact OD1-N 3Å; D425-N427 PolarHBondContact OD1-ND2 2.99Å; D425-N427 PolarHBondContact OD2-ND2 2.74Å; D425-S428 VanDerWaalsContact O-CB 3.3Å; D425-S428 WeakPolarHBondContact O-CB 3.35Å; D425-S428 PolarHBondContact O-N 3.15Å; D425-S428 PolarHBondContact O-OG 3.16Å; D425-Y480 VanDerWaalsContact CA-CD2 3.46Å; D425-Y480 HydrophobicContact CB-CD2 3.57Å; D425-Y480 HydrophobicContact CB-CE2 3.96Å; D425-Y480 HydrophobicContact CB-CG 4.09Å
426P70Confident77.7Confident18 Ų1864.3 Ų64.312%0.11731%0.308CS..THydrogen-bonded Turntrans-53.7-21.6175.221-33.6000113.6T409 S428 K431 Y480T409-P426 HydrophobicContact CG2-CB 4.45Å; P426-S428 VanDerWaalsContact C-N 3.31Å; P426-S428 PolarHBondContact O-N 2.92Å; P426-K431 WeakPolarHBondContact O-CE 3.35Å; P426-K431 PolarHBondContact O-NZ 2.88Å; P426-Y480 VanDerWaalsContact CD-OH 3.28Å; P426-Y480 WeakPolarHBondContact CD-OH 3.37Å
427N65.9Low78.8Confident68 Ų6856 Ų5636%0.36428%0.276SS..THydrogen-bonded Turntrans-77.2-8.1177.2-48.2-42.9000114.7R30 D425R30-N427 PolarHBondContact NH2-ND2 3.12Å; R30-N427 PolarHBondContact NH2-OD1 2.97Å; D425-N427 VanDerWaalsContact CG-ND2 3.27Å; D425-N427 PolarHBondContact O-N 3.42Å; D425-N427 WeakPolarHBondContact OD1-CB 3.46Å; D425-N427 PolarHBondContact OD1-N 3Å; D425-N427 PolarHBondContact OD1-ND2 2.99Å; D425-N427 PolarHBondContact OD2-ND2 2.74Å
428S72.1Confident79.5Confident38 Ų3859.2 Ų59.227%0.26629%0.287SS..  trans-64.1132.2177.753.80000112.1D425 P426 I430 K431D425-S428 VanDerWaalsContact O-CB 3.3Å; D425-S428 WeakPolarHBondContact O-CB 3.35Å; D425-S428 PolarHBondContact O-N 3.15Å; D425-S428 PolarHBondContact O-OG 3.16Å; P426-S428 VanDerWaalsContact C-N 3.31Å; P426-S428 PolarHBondContact O-N 2.92Å; S428-I430 VanDerWaalsContact C-N 3.34Å; S428-I430 WeakPolarHBondContact CB-O 3.26Å; S428-I430 PolarHBondContact OG-O 3.01Å; S428-K431 WeakPolarHBondContact OG-CE 3.48Å; S428-K431 WeakPolarHBondContact OG-CG 3.48Å
429N56.2Low79.8Confident166 Ų16658.8 Ų58.889%0.88829%0.285SS*.SBendtrans-72.4-28.3178.9-71.7-47.6000112.9
430I65Low79.7Confident122 Ų12262.5 Ų62.563%0.62630%0.302SS*.SBendtrans-116.6129.3177.2-58.9174.1000105.3S428S428-I430 VanDerWaalsContact C-N 3.34Å; S428-I430 WeakPolarHBondContact CB-O 3.26Å; S428-I430 PolarHBondContact OG-O 3.01Å
431K70.3Confident79.4Confident73 Ų7363 Ų6332%0.31731%0.306SS..  trans-116120174.9-66.9-174.3178.1178.90109.3E424 P426 S428 I436E424-K431 WeakPolarHBondContact OE2-CA 3.37Å; P426-K431 WeakPolarHBondContact O-CE 3.35Å; P426-K431 PolarHBondContact O-NZ 2.88Å; S428-K431 WeakPolarHBondContact OG-CE 3.48Å; S428-K431 WeakPolarHBondContact OG-CG 3.48Å; K431-I436 HydrophobicContact CB-CD1 4.25Å
432H75.8Confident78.9Confident79 Ų7968.3 Ų68.337%0.36633%0.331SS..  trans-80.7142-172.6-76.5-111.1000110.8E424 E434 N435 I436E424-H432 WeakPolarHBondContact OE1-CB 3.34Å; E424-H432 IonicContact OE1-CD2 2.8Å; E424-H432 PolarHBondContact OE1-CD2 3.12Å; E424-H432 IonicContact OE1-CG 3.54Å; E424-H432 PolarHBondContact OE1-N 3.22Å; E424-H432 PolarHBondContact OE2-N 3.46Å; H432-E434 VanDerWaalsContact C-N 3.3Å; H432-E434 HydrophobicContact CB-CG 4.01Å; H432-E434 IonicContact CE1-OE1 2.7Å; H432-E434 IonicContact CG-OE1 3.69Å; H432-E434 IonicContact ND1-OE1 3.1Å; H432-E434 PolarHBondContact ND1-OE1 3.33Å; H432-E434 PolarHBondContact O-N 2.94Å; H432-N435 HydrophobicContact CB-CB 4.25Å; H432-N435 PolarHBondContact O-N 3.45Å; H432-N435 VanDerWaalsContact O-N 3.13Å; H432-I436 WeakPolarHBondContact O-CG1 2.99Å; H432-I436 PolarHBondContact O-N 3.08Å
433R77Confident78.5Confident223 Ų22369.1 Ų69.184%0.84234%0.335SS*.G310 helixtrans-70.4-34-175.8-173.5176.9177.4-175.2-2.6111.1N435 I436R433-N435 PolarHBondContact O-N 3.07Å; R433-I436 PolarHBondContact O-N 3.4Å
434E82.1Confident78.2Confident110 Ų11070.3 Ų70.351%0.51434%0.341SS..G310 helixtrans-66.1-13.7172.759.6-87.8-154.700114N400 H432N400-E434 PolarHBondContact ND2-O 3.08Å; H432-E434 VanDerWaalsContact C-N 3.3Å; H432-E434 HydrophobicContact CB-CG 4.01Å; H432-E434 IonicContact CE1-OE1 2.7Å; H432-E434 IonicContact CG-OE1 3.69Å; H432-E434 IonicContact ND1-OE1 3.1Å; H432-E434 PolarHBondContact ND1-OE1 3.33Å; H432-E434 PolarHBondContact O-N 2.94Å
435N86.5Confident78Confident17 Ų1771.2 Ų71.29%0.09135%0.346CS..G310 helixtrans-107.29.7174.3-69.3-36.6000112.9K398 C422 F423 E424 H432 R433 L481K398-N435 WeakPolarHBondContact CE-OD1 3.46Å; K398-N435 PolarHBondContact NZ-OD1 3.23Å; C422-N435 WeakPolarHBondContact CA-O 3.16Å; F423-N435 WeakPolarHBondContact CD2-O 3.35Å; F423-N435 PolarHBondContact N-O 3.48Å; E424-N435 HydrophobicContact CG-CB 3.75Å; E424-N435 PolarHBondContact OE1-ND2 2.99Å; H432-N435 HydrophobicContact CB-CB 4.25Å; H432-N435 PolarHBondContact O-N 3.45Å; H432-N435 VanDerWaalsContact O-N 3.13Å; R433-N435 PolarHBondContact O-N 3.07Å; N435-L481 HydrophobicContact CB-CD2 4.41Å; N435-L481 WeakPolarHBondContact OD1-CD2 3.46Å
436I86.4Confident78Confident61 Ų6170.1 Ų70.131%0.31334%0.343SS..EExtended strand (participates in β ladder)trans-121.4126.1174.8-62.3170.4000109.3L411 I420 I421 C422 K431 H432 R433L411-I436 HydrophobicContact CD1-CD1 4.39Å; I420-I436 HydrophobicContact CG2-CG2 3.49Å; I420-I436 VanDerWaalsContact CG2-CG2 3.49Å; I421-I436 VanDerWaalsContact O-CA 3.3Å; I421-I436 WeakPolarHBondContact O-CA 3.41Å; C422-I436 HydrophobicContact CB-CG1 4.25Å; K431-I436 HydrophobicContact CB-CD1 4.25Å; H432-I436 WeakPolarHBondContact O-CG1 2.99Å; H432-I436 PolarHBondContact O-N 3.08Å; R433-I436 PolarHBondContact O-N 3.4Å
437Q90.2Very high78.5Confident27 Ų2770.5 Ų70.513%0.12634%0.342CS..EExtended strand (participates in β ladder)trans-136.4165.7176.480.9-176.732.300111.7P397 Y399 I420 I421 F423 T439P397-Q437 PolarHBondContact O-NE2 2.84Å; Y399-Q437 HydrophobicContact CD2-CG 4.44Å; Y399-Q437 HydrophobicContact CE2-CG 4.48Å; Y399-Q437 VanDerWaalsContact CE2-NE2 3.27Å; Y399-Q437 VanDerWaalsContact N-OE1 3.09Å; I420-Q437 CarbonylContact C-O 3.57Å; I420-Q437 WeakPolarHBondContact CA-O 3.46Å; I421-Q437 PolarHBondContact N-O 3.11Å; I421-Q437 PolarHBondContact O-N 3.41Å; F423-Q437 HydrophobicContact CE2-CG 3.75Å; F423-Q437 HydrophobicContact CZ-CG 4.24Å; Q437-T439 WeakPolarHBondContact CG-OG1 2.76Å; Q437-T439 PolarHBondContact NE2-OG1 3.35Å
438E89.9Confident78.7Confident113 Ų11367.4 Ų67.453%0.52833%0.326SS..EExtended strand (participates in β ladder)trans-91.7139.3164.3-64.8-177.1-175.300109.1Y399 V414 T418 F419 I420Y399-E438 WeakPolarHBondContact CE2-O 3.32Å; V414-E438 HydrophobicContact CG2-CG 4.07Å; T418-E438 HydrophobicContact CG2-CB 4.02Å; F419-E438 CarbonylContact O-C 3.55Å; F419-E438 WeakPolarHBondContact O-CA 3.38Å; I420-E438 HydrophobicContact CG1-CG 4.31Å
439T86Confident78.6Confident1 Ų169 Ų691%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-142.9137.6-175.2-51.10000109.7F419 I421 Q437 E443 L444F419-T439 PolarHBondContact N-O 2.99Å; F419-T439 PolarHBondContact O-N 3.37Å; I421-T439 WeakPolarHBondContact CG1-OG1 3.32Å; Q437-T439 WeakPolarHBondContact CG-OG1 2.76Å; Q437-T439 PolarHBondContact NE2-OG1 3.35Å; T439-E443 HydrophobicContact CG2-CB 3.97Å; T439-L444 HydrophobicContact CG2-CD2 3.56Å; T439-L444 HydrophobicContact CG2-CG 4.39Å
440H82.7Confident79.7Confident81 Ų8162.4 Ų62.438%0.37530%0.295SS..EExtended strand (participates in β ladder)trans-74.7145.3174.4-61.3-49.9000112C417 T418 H442 E443C417-H440 CarbonylContact O-C 3.58Å; C417-H440 WeakPolarHBondContact O-CA 3.31Å; T418-H440 PolarHBondContact OG1-CE1 2.04Å; T418-H440 PolarHBondContact OG1-ND1 3.34Å; H440-H442 WeakPolarHBondContact CB-NE2 3.17Å; H440-H442 AromaticContact CD2-NE2 3.87Å; H440-H442 AromaticContact CG-NE2 3.92Å; H440-H442 PolarHBondContact O-N 2.95Å; H440-H442 VanDerWaalsContact O-N 3.13Å; H440-E443 PolarHBondContact O-N 3.46Å
441V78.4Confident80.2Confident54 Ų5458.8 Ų58.833%0.32728%0.275SS..G310 helixtrans-57.8-29.8-175.767.50000113.5L389 C417 F419 E443 L444L389-V441 HydrophobicContact CD1-CG2 3.96Å; C417-V441 HydrophobicContact CB-CG1 4.27Å; C417-V441 WeakPolarHBondContact O-CB 3.43Å; C417-V441 PolarHBondContact O-N 2.85Å; F419-V441 HydrophobicContact CD2-CB 4.12Å; F419-V441 HydrophobicContact CE2-CB 3.91Å; F419-V441 HydrophobicContact CE2-CG2 4.09Å; V441-E443 PolarHBondContact O-N 3.42Å; V441-L444 PolarHBondContact O-N 3.48Å
442H78.7Confident80.1Confident112 Ų11257.1 Ų57.152%0.51927%0.267SS..G310 helixtrans-75.8-2.5176.66967.6000114H440H440-H442 WeakPolarHBondContact CB-NE2 3.17Å; H440-H442 AromaticContact CD2-NE2 3.87Å; H440-H442 AromaticContact CG-NE2 3.92Å; H440-H442 PolarHBondContact O-N 2.95Å; H440-H442 VanDerWaalsContact O-N 3.13Å
443E82.1Confident80.1Confident18 Ų1857.1 Ų57.18%0.08427%0.267CS..G310 helixtrans-108.40.2172.2-49.1-170.1-179.400112P397 Y399 T439 H440 V441 K551P397-E443 WeakPolarHBondContact CD-O 3.21Å; P397-E443 HydrophobicContact CG-CB 4.11Å; Y399-E443 PolarHBondContact OH-OE2 3.29Å; T439-E443 HydrophobicContact CG2-CB 3.97Å; H440-E443 PolarHBondContact O-N 3.46Å; V441-E443 PolarHBondContact O-N 3.42Å; E443-K551 IonicContact OE1-NZ 3.93Å; E443-K551 PolarHBondContact OE1-NZ 3.14Å
444L82.2Confident80.1Confident25 Ų2548 Ų4813%0.13124%0.237CC..  trans-92.5117.1177.8-56.2-176.4000110.2V394 A396 F419 I421 T439 V441V394-L444 HydrophobicContact CG2-CD2 4.32Å; A396-L444 HydrophobicContact CB-CD2 3.81Å; F419-L444 HydrophobicContact CB-CD1 4.27Å; F419-L444 HydrophobicContact CD2-CD1 4.27Å; F419-L444 HydrophobicContact CG-CD1 4.39Å; I421-L444 HydrophobicContact CD1-CD1 4.06Å; I421-L444 HydrophobicContact CD1-CD2 3.75Å; I421-L444 HydrophobicContact CG1-CD2 3.89Å; T439-L444 HydrophobicContact CG2-CD2 3.56Å; T439-L444 HydrophobicContact CG2-CG 4.39Å; V441-L444 PolarHBondContact O-N 3.48Å
445L82.3Confident80.3Confident34 Ų3442.8 Ų42.818%0.17821%0.212CC..EExtended strand (participates in β ladder)trans-96.5124173.8-64.8177.8000109.3V394 L395 L405 Y447 F450 L542V394-L445 CarbonylContact C-O 3.53Å; V394-L445 WeakPolarHBondContact CA-O 3.44Å; L395-L445 HydrophobicContact CB-CB 4.08Å; L395-L445 PolarHBondContact N-O 3.35Å; L395-L445 PolarHBondContact O-N 2.88Å; L405-L445 HydrophobicContact CD1-CD1 3.94Å; L445-Y447 PolarHBondContact O-N 3.31Å; L445-Y447 VanDerWaalsContact O-N 3.09Å; L445-F450 HydrophobicContact CB-CD2 4.16Å; L445-F450 HydrophobicContact CB-CE2 3.75Å; L445-F450 HydrophobicContact CD2-CE2 3.82Å; L445-F450 HydrophobicContact CD2-CZ 4.22Å; L445-F450 HydrophobicContact CG-CE2 4.31Å; L445-L542 HydrophobicContact CD2-CD1 3.91Å
446S78.4Confident80.3Confident33 Ų3344.9 Ų44.923%0.23122%0.224CC..EExtended strand (participates in β ladder)trans-69.2106.3179.6-179.30000110.8L448 D449 F450S446-L448 PolarHBondContact O-N 2.89Å; S446-D449 WeakPolarHBondContact CB-OD2 3.25Å; S446-D449 PolarHBondContact O-N 3.47Å; S446-D449 PolarHBondContact OG-OD2 3.4Å; S446-F450 WeakPolarHBondContact O-CD2 3.11Å; S446-F450 PolarHBondContact O-N 3.47Å
447Y80.9Confident80.3Confident26 Ų2645 Ų4510%0.10223%0.233CC..Hα-helixtrans-55.1-38.7179.1171.9-87.8000111.6T393 L395 M407 L445 H451 I536T393-Y447 HydrophobicContact CG2-CD1 4.31Å; T393-Y447 HydrophobicContact CG2-CG 4.08Å; T393-Y447 WeakPolarHBondContact O-CB 3.41Å; L395-Y447 HydrophobicContact CG-CD2 4.44Å; M407-Y447 HydrophobicContact CE-CD2 3.59Å; M407-Y447 HydrophobicContact CE-CE2 3.28Å; M407-Y447 HydrophobicContact CE-CG 4.41Å; L445-Y447 PolarHBondContact O-N 3.31Å; L445-Y447 VanDerWaalsContact O-N 3.09Å; Y447-H451 HydrophobicContact CD1-CB 4.49Å; Y447-H451 HydrophobicContact CE1-CB 4.15Å; Y447-H451 AromaticContact CZ-CD2 3.98Å; Y447-H451 WeakPolarHBondContact O-CB 3.24Å; Y447-H451 PolarHBondContact O-N 3.11Å; Y447-I536 HydrophobicContact CD2-CD1 3.66Å; Y447-I536 HydrophobicContact CE2-CD1 3.42Å; Y447-I536 VanDerWaalsContact CE2-CD1 3.42Å; Y447-I536 HydrophobicContact CE2-CG1 4.16Å
448L69.3Low80.1Confident3 Ų345.5 Ų45.52%0.01625%0.246CC..Hα-helixtrans-68.1-44.3-173.5-60.7170.2000112.4N149 S150 S446 H451 R452N149-L448 HydrophobicContact CB-CD1 4.33Å; S150-L448 WeakPolarHBondContact OG-CD2 3.27Å; S446-L448 PolarHBondContact O-N 2.89Å; L448-H451 PolarHBondContact O-N 3.3Å; L448-R452 WeakPolarHBondContact O-CD 3.42Å; L448-R452 WeakPolarHBondContact O-CG 3.05Å; L448-R452 PolarHBondContact O-N 3.32Å; L448-R452 VanDerWaalsContact O-N 3.11Å
449D70.3Confident80.1Confident71 Ų7141.4 Ų41.438%0.3823%0.228SC..Hα-helixtrans-73.5-43.6-174.1-56.4-47.9000109.9S446 H451 R452 H453S446-D449 WeakPolarHBondContact CB-OD2 3.25Å; S446-D449 PolarHBondContact O-N 3.47Å; S446-D449 PolarHBondContact OG-OD2 3.4Å; D449-H451 VanDerWaalsContact C-N 3.35Å; D449-H451 PolarHBondContact O-N 3.26Å; D449-R452 PolarHBondContact O-N 3.26Å; D449-R452 IonicContact OD1-NH1 2.83Å; D449-H453 PolarHBondContact O-CD2 3.13Å
450F78.8Confident80.2Confident27 Ų2743 Ų4312%0.11823%0.234CC..Hα-helixtrans-65.8-31.1172.3-64.4-47.3000113.8L445 S446 I536 W537 P539 L542L445-F450 HydrophobicContact CB-CD2 4.16Å; L445-F450 HydrophobicContact CB-CE2 3.75Å; L445-F450 HydrophobicContact CD2-CE2 3.82Å; L445-F450 HydrophobicContact CD2-CZ 4.22Å; L445-F450 HydrophobicContact CG-CE2 4.31Å; S446-F450 WeakPolarHBondContact O-CD2 3.11Å; S446-F450 PolarHBondContact O-N 3.47Å; F450-I536 HydrophobicContact CB-CG2 3.52Å; F450-W537 VanDerWaalsContact CB-O 3.26Å; F450-W537 WeakPolarHBondContact CB-O 3.41Å; F450-W537 HydrophobicContact CD1-CE3 4.28Å; F450-W537 HydrophobicContact CD1-CZ3 4.43Å; F450-W537 PolarHBondContact O-N 3.05Å; F450-P539 VanDerWaalsContact CE1-CD 3.45Å; F450-P539 HydrophobicContact CE1-CG 3.82Å; F450-L542 HydrophobicContact CE1-CD1 3.98Å; F450-L542 HydrophobicContact CE2-CD1 4.39Å; F450-L542 HydrophobicContact CZ-CD1 3.53Å
451H76.9Confident80.5Confident46 Ų4639.1 Ų39.121%0.21322%0.217CC..Hα-helixtrans-69.8-34.2174.1-173.3-93.2000112.6Y447 L448 D449 R496 N533Y447-H451 HydrophobicContact CD1-CB 4.49Å; Y447-H451 HydrophobicContact CE1-CB 4.15Å; Y447-H451 AromaticContact CZ-CD2 3.98Å; Y447-H451 WeakPolarHBondContact O-CB 3.24Å; Y447-H451 PolarHBondContact O-N 3.11Å; L448-H451 PolarHBondContact O-N 3.3Å; D449-H451 VanDerWaalsContact C-N 3.35Å; D449-H451 PolarHBondContact O-N 3.26Å; H451-R496 WeakPolarHBondContact O-CD 3.46Å; H451-R496 PolarHBondContact O-NH1 3.26Å; H451-N533 VanDerWaalsContact NE2-CA 3.27Å; H451-N533 WeakPolarHBondContact NE2-CA 3.35Å; H451-N533 WeakPolarHBondContact NE2-CB 3.34Å; H451-N533 PolarHBondContact NE2-O 3.5Å
452R68Low81Confident38 Ų3836.8 Ų36.814%0.14320%0.202CC..Hα-helixtrans-72.1-29-176.3-78.2163.7-176.2177.7-0.8114.7S145 L448 D449 R496 S497S145-R452 PolarHBondContact O-NH2 2.9Å; S145-R452 PolarHBondContact OG-NH1 3.36Å; L448-R452 WeakPolarHBondContact O-CD 3.42Å; L448-R452 WeakPolarHBondContact O-CG 3.05Å; L448-R452 PolarHBondContact O-N 3.32Å; L448-R452 VanDerWaalsContact O-N 3.11Å; D449-R452 PolarHBondContact O-N 3.26Å; D449-R452 IonicContact OD1-NH1 2.83Å; R452-R496 CarbonylContact O-C 3.56Å; R452-R496 VanDerWaalsContact O-C 3.24Å; R452-R496 VanDerWaalsContact O-CB 3.23Å; R452-R496 WeakPolarHBondContact O-CB 3.34Å; R452-S497 PolarHBondContact O-OG 2.99Å
453H74.9Confident81.4Confident80 Ų8031.4 Ų31.437%0.3718%0.177SC..SBendtrans-65.6139.2-177.5-74.3-67.7000111.7D449 R496 W537D449-H453 PolarHBondContact O-CD2 3.13Å; H453-R496 WeakPolarHBondContact O-CB 3.27Å; H453-R496 WeakPolarHBondContact O-CD 3.4Å; H453-W537 HydrophobicContact CB-CB 3.99Å; H453-W537 HydrophobicContact CB-CD2 3.72Å; H453-W537 HydrophobicContact CB-CE3 3.54Å; H453-W537 HydrophobicContact CB-CG 3.93Å; H453-W537 HydrophobicContact CB-CZ3 4.19Å; H453-W537 AromaticContact CD2-CE3 3.4Å; H453-W537 VanDerWaalsContact CD2-CE3 3.4Å; H453-W537 AromaticContact CD2-CZ3 3.4Å; H453-W537 VanDerWaalsContact CD2-CZ3 3.4Å; H453-W537 WeakPolarHBondContact CD2-CZ3 3.37Å; H453-W537 AromaticContact CG-CE3 3.55Å; H453-W537 AromaticContact CG-CZ3 3.72Å; H453-W537 AromaticContact NE2-CZ3 3.84Å
454P77.8Confident81.6Confident32 Ų3230.6 Ų30.621%0.20817%0.173CC..  trans-62.2153.8175.729.6-35.1000109.9E494 R496P454-E494 VanDerWaalsContact CA-O 3.3Å; P454-E494 WeakPolarHBondContact CA-O 3.34Å; P454-E494 WeakPolarHBondContact CB-O 3.36Å; P454-R496 WeakPolarHBondContact CD-O 3.41Å
455V84.6Confident81.4Confident0 Ų032.4 Ų32.40%018%0.181CC..BIsolated β-bridgetrans-116.3109.9-179.4-173.30000108.3V461 V489 Y493 E494 L510 W537V455-V461 HydrophobicContact CG1-CG1 3.83Å; V455-V461 HydrophobicContact CG2-CG1 4.49Å; V455-V489 HydrophobicContact CG1-CG2 3.65Å; V455-Y493 WeakPolarHBondContact O-CA 3.29Å; V455-Y493 WeakPolarHBondContact O-CD2 3.2Å; V455-E494 HydrophobicContact CB-CB 4.27Å; V455-E494 PolarHBondContact N-O 3.42Å; V455-E494 PolarHBondContact O-N 3.05Å; V455-L510 HydrophobicContact CB-CD1 4.14Å; V455-L510 HydrophobicContact CB-CD2 4.2Å; V455-L510 HydrophobicContact CG1-CD1 3.75Å; V455-L510 HydrophobicContact CG1-CD2 3.77Å; V455-L510 HydrophobicContact CG1-CG 4.44Å; V455-L510 HydrophobicContact CG2-CD1 4.43Å; V455-W537 HydrophobicContact CG2-CB 4.29Å
456D86.7Confident80.8Confident61 Ų6132.2 Ų32.233%0.32618%0.182SC..  trans-99.6162.7176.5-82.6-57.1000111G458 D459 Y493D456-G458 PolarHBondContact O-N 3.2Å; D456-D459 PolarHBondContact N-OD2 2.88Å; D456-D459 WeakPolarHBondContact O-CB 3.47Å; D456-D459 PolarHBondContact O-N 3.48Å; D456-Y493 WeakPolarHBondContact OD1-CD2 3.46Å; D456-Y493 VanDerWaalsContact OD1-CE2 3.24Å; D456-Y493 WeakPolarHBondContact OD1-CE2 3.42Å
457A87.3Confident80.2Confident62 Ų6231.4 Ų31.451%0.51218%0.175SC..THydrogen-bonded Turntrans-68.5129.5173.200000110.4
458G85.4Confident79.1Confident38 Ų3832.2 Ų32.239%0.39219%0.185SC..THydrogen-bonded Turntrans104.2-18.1-173.100000114.7D456 V489D456-G458 PolarHBondContact O-N 3.2Å; G458-V489 WeakPolarHBondContact CA-O 3.5Å; G458-V489 PolarHBondContact N-O 3.42Å
459D89.5Confident78.3Confident28 Ų2837.5 Ų37.515%0.1521%0.213CC..  trans-64.8157.1177.1-81.1-38.4000113D456 V489 W537D456-D459 PolarHBondContact N-OD2 2.88Å; D456-D459 WeakPolarHBondContact O-CB 3.47Å; D456-D459 PolarHBondContact O-N 3.48Å; D459-V489 HydrophobicContact CB-CG2 4.35Å; D459-V489 PolarHBondContact O-N 2.86Å; D459-W537 VanDerWaalsContact CG-CD1 3.42Å; D459-W537 VanDerWaalsContact CG-NE1 3.28Å; D459-W537 PolarHBondContact OD1-NE1 3.48Å; D459-W537 PolarHBondContact OD2-NE1 3.32Å
460F88.7Confident77.2Confident34 Ų3438 Ų3815%0.14922%0.221CC..EExtended strand (participates in β ladder)trans-94.1140.6164.2-66.4-83.4000110.8V486 K488 V515 I538 N540 F543F460-V486 HydrophobicContact CD1-CG1 4.15Å; F460-K488 HydrophobicContact CD1-CB 4.25Å; F460-K488 HydrophobicContact CE1-CB 4.17Å; F460-K488 HydrophobicContact CE1-CD 4.46Å; F460-K488 HydrophobicContact CE1-CG 4.32Å; F460-V515 HydrophobicContact CE1-CG2 4.38Å; F460-I538 HydrophobicContact CB-CD1 4.07Å; F460-I538 HydrophobicContact CB-CG1 3.77Å; F460-I538 WeakPolarHBondContact O-CG1 3.38Å; F460-I538 PolarHBondContact O-N 2.7Å; F460-N540 WeakPolarHBondContact CD2-OD1 3.33Å; F460-F543 HydrophobicContact CD1-CD1 4.28Å; F460-F543 HydrophobicContact CD1-CD2 4.24Å; F460-F543 HydrophobicContact CD1-CE1 4.19Å; F460-F543 HydrophobicContact CD1-CE2 4.15Å; F460-F543 HydrophobicContact CD1-CG 4.31Å; F460-F543 HydrophobicContact CD1-CZ 4.13Å; F460-F543 HydrophobicContact CD2-CD1 4.08Å; F460-F543 HydrophobicContact CD2-CG 4.32Å; F460-F543 HydrophobicContact CE1-CD1 4.03Å; F460-F543 AromaticContact CE1-CE1 3.59Å; F460-F543 HydrophobicContact CE1-CE1 3.59Å; F460-F543 HydrophobicContact CE1-CE2 4.15Å; F460-F543 HydrophobicContact CE1-CG 4.49Å; F460-F543 AromaticContact CE1-CZ 3.65Å; F460-F543 HydrophobicContact CE1-CZ 3.65Å; F460-F543 AromaticContact CE2-CD1 3.83Å; F460-F543 HydrophobicContact CE2-CD1 3.83Å; F460-F543 HydrophobicContact CE2-CE1 4.01Å; F460-F543 HydrophobicContact CG-CD1 4.3Å; F460-F543 HydrophobicContact CG-CD2 4.48Å; F460-F543 HydrophobicContact CG-CG 4.22Å; F460-F543 AromaticContact CZ-CD1 3.8Å; F460-F543 HydrophobicContact CZ-CD1 3.8Å; F460-F543 AromaticContact CZ-CE1 3.48Å; F460-F543 HydrophobicContact CZ-CE1 3.48Å; F460-F543 VanDerWaalsContact CZ-CE1 3.48Å; F460-F543 HydrophobicContact CZ-CZ 4.05Å
461V89.7Confident75.5Confident0 Ų046.5 Ų46.50%026%0.261CS..EExtended strand (participates in β ladder)trans-134.6148.2-179.3-70.60000111.9V455 V463 V486 A487 V489 V512 A535 I536V455-V461 HydrophobicContact CG1-CG1 3.83Å; V455-V461 HydrophobicContact CG2-CG1 4.49Å; V461-V463 HydrophobicContact CB-CG2 4.36Å; V461-V463 HydrophobicContact CG2-CG2 3.74Å; V461-V486 WeakPolarHBondContact O-CA 3.3Å; V461-A487 HydrophobicContact CG2-CB 4.2Å; V461-A487 WeakPolarHBondContact CG2-O 3.38Å; V461-A487 PolarHBondContact N-O 3.13Å; V461-A487 PolarHBondContact O-N 2.91Å; V461-V489 HydrophobicContact CG1-CG2 3.79Å; V461-V489 HydrophobicContact CG2-CG2 3.9Å; V461-V512 HydrophobicContact CG2-CG1 4.15Å; V461-A535 HydrophobicContact CB-CB 4.07Å; V461-A535 HydrophobicContact CG1-CB 4.13Å; V461-A535 HydrophobicContact CG2-CB 4.27Å; V461-I536 CarbonylContact C-O 3.59Å; V461-I536 WeakPolarHBondContact CA-O 3.49Å; V461-I536 WeakPolarHBondContact CB-O 3.08Å
462L88.3Confident73.7Confident4 Ų452.8 Ų52.82%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-90.1134.9164.3-71.2172000110.3L395 L405 Y484 Y485 V486 A535 I536 I538L395-L462 HydrophobicContact CD1-CD1 3.82Å; L405-L462 HydrophobicContact CD1-CD1 3.75Å; L405-L462 HydrophobicContact CD1-CD2 4.2Å; L462-Y484 HydrophobicContact CB-CD1 4.08Å; L462-Y485 CarbonylContact C-O 3.41Å; L462-Y485 WeakPolarHBondContact CA-O 3.38Å; L462-V486 HydrophobicContact CD2-CG2 3.72Å; L462-A535 CarbonylContact O-C 3.58Å; L462-I536 HydrophobicContact CB-CB 4.25Å; L462-I536 PolarHBondContact N-O 3.21Å; L462-I536 PolarHBondContact O-N 2.84Å; L462-I538 HydrophobicContact CD1-CG2 3.71Å; L462-I538 HydrophobicContact CG-CD1 4.35Å; L462-I538 HydrophobicContact CG-CG2 3.81Å
463V87.5Confident72.8Confident0 Ų052.6 Ų52.60%029%0.292CS..EExtended strand (participates in β ladder)trans-137.7124.1-167.7-179.10000109.1V461 I467 Y484 Y485 A487 F514 I530V461-V463 HydrophobicContact CB-CG2 4.36Å; V461-V463 HydrophobicContact CG2-CG2 3.74Å; V463-I467 HydrophobicContact CG1-CB 4.44Å; V463-I467 HydrophobicContact CG1-CD1 3.46Å; V463-I467 VanDerWaalsContact CG1-CD1 3.46Å; V463-Y484 WeakPolarHBondContact O-CA 3.11Å; V463-Y485 PolarHBondContact N-O 2.77Å; V463-Y485 PolarHBondContact O-N 3.06Å; V463-A487 HydrophobicContact CG2-CB 3.9Å; V463-F514 HydrophobicContact CB-CE1 3.89Å; V463-F514 HydrophobicContact CB-CZ 4.39Å; V463-F514 HydrophobicContact CG1-CE1 3.82Å; V463-F514 HydrophobicContact CG1-CZ 3.8Å; V463-I530 HydrophobicContact CB-CD1 4.36Å; V463-I530 HydrophobicContact CG1-CD1 3.74Å; V463-I530 HydrophobicContact CG2-CD1 3.59Å
464P86.2Confident71.4Confident0 Ų054.1 Ų54.10%030%0.303CS..EExtended strand (participates in β ladder)trans-70.1138-179.528.4-34000111.5C466 I467 H479 V482 Y484 T534P464-C466 PolarHBondContact O-N 3.11Å; P464-C466 VanDerWaalsContact O-N 3.07Å; P464-I467 HydrophobicContact CG-CD1 3.79Å; P464-I467 HydrophobicContact CG-CG1 4.43Å; P464-I467 PolarHBondContact O-N 3.21Å; P464-H479 HydrophobicContact CB-CB 3.97Å; P464-H479 HydrophobicContact CG-CB 4.48Å; P464-V482 HydrophobicContact CB-CG1 3.97Å; P464-Y484 HydrophobicContact CB-CD1 4.33Å; P464-Y484 HydrophobicContact CB-CE1 3.96Å; P464-Y484 HydrophobicContact CB-CE2 4.21Å; P464-Y484 HydrophobicContact CG-CE1 4.11Å; P464-T534 HydrophobicContact CG-CG2 4.01Å
465Q79.1Confident70Confident64 Ų6460.3 Ų60.330%0.29933%0.329SS..G310 helixtrans-50.6-37.6-173.8174.5164.7-15.800114.5I467 S468 V482 P483 Y485Q465-I467 PolarHBondContact O-N 3.19Å; Q465-S468 WeakPolarHBondContact O-CB 3.47Å; Q465-S468 PolarHBondContact O-N 3.42Å; Q465-V482 HydrophobicContact CB-CG1 4.08Å; Q465-P483 HydrophobicContact CB-CG 4.02Å; Q465-P483 PolarHBondContact N-O 3.25Å; Q465-Y485 HydrophobicContact CB-CD2 4.1Å; Q465-Y485 HydrophobicContact CB-CE2 3.59Å; Q465-Y485 HydrophobicContact CG-CE2 3.73Å; Q465-Y485 PolarHBondContact OE1-OH 2.79Å
466C69.2Low68.2Low29 Ų2964.5 Ų64.520%0.19636%0.359CS..G310 helixtrans-60.1-10.2-174.756.60000115.4P464 S468 C470 H479 V482P464-C466 PolarHBondContact O-N 3.11Å; P464-C466 VanDerWaalsContact O-N 3.07Å; C466-S468 VanDerWaalsContact C-N 3.3Å; C466-C470 PolarHBondContact O-N 3.03Å; C466-H479 PolarHBondContact SG-CD2 2.61Å; C466-V482 HydrophobicContact CB-CG1 4.41Å
467I65.8Low66.8Low17 Ų1768.3 Ų68.39%0.08737%0.374CS..G310 helixtrans-69.6-26.9170.4-68.8159.9000112.2V463 P464 Q465 D469 L473 I530 T534V463-I467 HydrophobicContact CG1-CB 4.44Å; V463-I467 HydrophobicContact CG1-CD1 3.46Å; V463-I467 VanDerWaalsContact CG1-CD1 3.46Å; P464-I467 HydrophobicContact CG-CD1 3.79Å; P464-I467 HydrophobicContact CG-CG1 4.43Å; P464-I467 PolarHBondContact O-N 3.21Å; Q465-I467 PolarHBondContact O-N 3.19Å; I467-D469 VanDerWaalsContact C-N 3.27Å; I467-D469 PolarHBondContact O-N 2.9Å; I467-L473 HydrophobicContact CB-CD1 4.07Å; I467-L473 HydrophobicContact CG1-CD1 3.3Å; I467-I530 HydrophobicContact CD1-CG2 4.23Å; I467-I530 HydrophobicContact CG2-CG1 4.45Å; I467-T534 HydrophobicContact CD1-CG2 3.8Å
468S56.5Low65.9Low43 Ų4368.5 Ų68.530%0.30136%0.364SS..THydrogen-bonded Turntrans-69.8-25.7177.2-62.30000113.1Q465 C466Q465-S468 WeakPolarHBondContact O-CB 3.47Å; Q465-S468 PolarHBondContact O-N 3.42Å; C466-S468 VanDerWaalsContact C-N 3.3Å
469D53.5Low65.4Low113 Ų11368.1 Ų68.160%0.60435%0.351SS*.THydrogen-bonded Turntrans-117-7.2-161.4-54.3-42.6000114.3I467I467-D469 VanDerWaalsContact C-N 3.27Å; I467-D469 PolarHBondContact O-N 2.9Å
470C46.2Very low65Low82 Ų8268.2 Ų68.255%0.55435%0.35SS*.  trans-149.2128.5-171.8-81.60000114.4C466C466-C470 PolarHBondContact O-N 3.03Å
471E43.8Very low64.8Low206 Ų20670.3 Ų70.396%0.96336%0.362SS*.SBendtrans-77.5-23.7174.7-61-169.312800113.6L473E471-L473 PolarHBondContact O-N 3.1Å
472E39.4Very low64.5Low177 Ų17771.9 Ų71.983%0.82737%0.372SS*.  trans-94.449.9-172.5-63-160.5148.200114.9N474E472-N474 PolarHBondContact O-N 3.42Å; E472-N474 VanDerWaalsContact O-N 3.09Å
473L47.9Very low64.4Low34 Ų3472.5 Ų72.518%0.17838%0.376CS..  trans-7897.3178.1-82.3169.6000113.5I467 E471 H475 P531I467-L473 HydrophobicContact CB-CD1 4.07Å; I467-L473 HydrophobicContact CG1-CD1 3.3Å; E471-L473 PolarHBondContact O-N 3.1Å; L473-H475 PolarHBondContact O-N 3.46Å; L473-H475 PolarHBondContact O-ND1 2.8Å; L473-P531 HydrophobicContact CB-CG 4.31Å
474N46.5Very low64.4Low113 Ų11373 Ų7360%0.60438%0.378SS*.  trans-52.9114.9173.2-86.6-78.2000112.4E472 S476 Q477E472-N474 PolarHBondContact O-N 3.42Å; E472-N474 VanDerWaalsContact O-N 3.09Å; N474-S476 PolarHBondContact O-N 2.75Å; N474-Q477 PolarHBondContact O-N 2.56Å
475H48.4Very low64.4Low161 Ų16174.4 Ų74.475%0.74538%0.384SS*.THydrogen-bonded Turntrans-63.325.3-171.2-51.4-43.5000117.6L473L473-H475 PolarHBondContact O-N 3.46Å; L473-H475 PolarHBondContact O-ND1 2.8Å
476S47.6Very low64.7Low89 Ų8971.9 Ų71.962%0.62237%0.372SS*.THydrogen-bonded Turntrans-151.15.8-178.164.60000116.7N474N474-S476 PolarHBondContact O-N 2.75Å
477Q57.5Low65.6Low140 Ų14070.5 Ų70.565%0.65436%0.363SS*.  trans-89.1141.2174.8-72.8-179.8-24.100111.7N474N474-Q477 PolarHBondContact O-N 2.56Å
478K67Low66.7Low67 Ų6774 Ų7429%0.29138%0.378SS..  trans-88.1126.1171.9-89.8-173.6174-1790108.4N149 T393 M407 Y480N149-K478 PolarHBondContact OD1-NZ 2.85Å; T393-K478 HydrophobicContact CG2-CD 4.5Å; T393-K478 PolarHBondContact OG1-NZ 2.77Å; M407-K478 HydrophobicContact CE-CB 4.34Å; M407-K478 HydrophobicContact CE-CG 4.2Å; M407-K478 HydrophobicContact SD-CB 3.61Å; M407-K478 HydrophobicContact SD-CD 3.82Å; M407-K478 HydrophobicContact SD-CG 3.77Å; K478-Y480 VanDerWaalsContact C-N 3.28Å; K478-Y480 HydrophobicContact CB-CD2 3.9Å; K478-Y480 HydrophobicContact CB-CE2 3.46Å; K478-Y480 VanDerWaalsContact CB-CE2 3.46Å; K478-Y480 HydrophobicContact CD-CE2 4.07Å; K478-Y480 WeakPolarHBondContact CD-OH 3.11Å; K478-Y480 HydrophobicContact CG-CE2 4.39Å; K478-Y480 WeakPolarHBondContact O-CD2 3.35Å; K478-Y480 PolarHBondContact O-N 2.59Å
479H75.9Confident68.3Low29 Ų2972 Ų7213%0.13436%0.364CS..  trans-8366.2-172-55.496.8000112.1P464 C466 V482 Y484P464-H479 HydrophobicContact CB-CB 3.97Å; P464-H479 HydrophobicContact CG-CB 4.48Å; C466-H479 PolarHBondContact SG-CD2 2.61Å; H479-V482 HydrophobicContact CB-CB 4.07Å; H479-V482 HydrophobicContact CB-CG2 4.21Å; H479-Y484 HydrophobicContact CB-CE2 4.45Å
480Y80.8Confident70Confident31 Ų3169.9 Ų69.912%0.12235%0.352CS..BIsolated β-bridgetrans-67.2148.4170.4-64.7-74000111M407 F423 D425 P426 K478 V482M407-Y480 HydrophobicContact CB-CD1 4.23Å; M407-Y480 HydrophobicContact CG-CD1 3.84Å; M407-Y480 HydrophobicContact CG-CE1 3.65Å; M407-Y480 HydrophobicContact SD-CD1 4.06Å; M407-Y480 HydrophobicContact SD-CE1 3.73Å; M407-Y480 HydrophobicContact SD-CE2 4.28Å; M407-Y480 HydrophobicContact SD-CG 4.45Å; F423-Y480 WeakPolarHBondContact O-CB 3.5Å; D425-Y480 VanDerWaalsContact CA-CD2 3.46Å; D425-Y480 HydrophobicContact CB-CD2 3.57Å; D425-Y480 HydrophobicContact CB-CE2 3.96Å; D425-Y480 HydrophobicContact CB-CG 4.09Å; P426-Y480 VanDerWaalsContact CD-OH 3.28Å; P426-Y480 WeakPolarHBondContact CD-OH 3.37Å; K478-Y480 VanDerWaalsContact C-N 3.28Å; K478-Y480 HydrophobicContact CB-CD2 3.9Å; K478-Y480 HydrophobicContact CB-CE2 3.46Å; K478-Y480 VanDerWaalsContact CB-CE2 3.46Å; K478-Y480 HydrophobicContact CD-CE2 4.07Å; K478-Y480 WeakPolarHBondContact CD-OH 3.11Å; K478-Y480 HydrophobicContact CG-CE2 4.39Å; K478-Y480 WeakPolarHBondContact O-CD2 3.35Å; K478-Y480 PolarHBondContact O-N 2.59Å; Y480-V482 PolarHBondContact O-N 2.64Å
481L83.4Confident72Confident78 Ų7868.7 Ų68.741%0.40834%0.344SS..THydrogen-bonded Turntrans55.211.9-173.8-55.5-179.7000116.2F423 E424 N435F423-L481 HydrophobicContact CB-CD2 4Å; F423-L481 PolarHBondContact O-N 2.89Å; E424-L481 HydrophobicContact CG-CD1 4.05Å; E424-L481 HydrophobicContact CG-CD2 4.15Å; E424-L481 HydrophobicContact CG-CG 4.31Å; N435-L481 HydrophobicContact CB-CD2 4.41Å; N435-L481 WeakPolarHBondContact OD1-CD2 3.46Å
482V84.9Confident74Confident33 Ų3359.8 Ų59.820%0.231%0.308CS..  trans-104.8130.8172.1-177.30000109.2F406 P464 Q465 C466 H479 Y480F406-V482 VanDerWaalsContact CD1-C 3.42Å; F406-V482 WeakPolarHBondContact CD1-O 3.31Å; P464-V482 HydrophobicContact CB-CG1 3.97Å; Q465-V482 HydrophobicContact CB-CG1 4.08Å; C466-V482 HydrophobicContact CB-CG1 4.41Å; H479-V482 HydrophobicContact CB-CB 4.07Å; H479-V482 HydrophobicContact CB-CG2 4.21Å; Y480-V482 PolarHBondContact O-N 2.64Å
483P86.2Confident76.1Confident17 Ų1752.7 Ų52.711%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-72.9147176.929.6-33.6000111.1R404 L405 F406 Q465R404-P483 HydrophobicContact CB-CB 4.37Å; L405-P483 WeakPolarHBondContact O-CA 3.25Å; F406-P483 HydrophobicContact CE1-CB 3.92Å; F406-P483 HydrophobicContact CE1-CG 4.34Å; F406-P483 VanDerWaalsContact CE1-N 3.35Å; F406-P483 HydrophobicContact CE2-CB 4.27Å; F406-P483 HydrophobicContact CZ-CB 3.77Å; F406-P483 HydrophobicContact CZ-CG 4.36Å; Q465-P483 HydrophobicContact CB-CG 4.02Å; Q465-P483 PolarHBondContact N-O 3.25Å
484Y87.1Confident77.6Confident10 Ų1051.2 Ų51.24%0.03927%0.266CS..EExtended strand (participates in β ladder)trans-101.7124.6175.1-80.1-102.9000110.7L395 L405 M407 L462 V463 P464 H479 I536L395-Y484 HydrophobicContact CD2-CD1 4.43Å; L395-Y484 HydrophobicContact CD2-CD2 3.8Å; L395-Y484 HydrophobicContact CD2-CE1 4.5Å; L395-Y484 HydrophobicContact CD2-CE2 3.89Å; L395-Y484 HydrophobicContact CD2-CG 4.09Å; L405-Y484 PolarHBondContact O-N 2.94Å; M407-Y484 HydrophobicContact CB-CE2 4.18Å; M407-Y484 WeakPolarHBondContact CE-OH 3.42Å; L462-Y484 HydrophobicContact CB-CD1 4.08Å; V463-Y484 WeakPolarHBondContact O-CA 3.11Å; P464-Y484 HydrophobicContact CB-CD1 4.33Å; P464-Y484 HydrophobicContact CB-CE1 3.96Å; P464-Y484 HydrophobicContact CB-CE2 4.21Å; P464-Y484 HydrophobicContact CG-CE1 4.11Å; H479-Y484 HydrophobicContact CB-CE2 4.45Å; Y484-I536 HydrophobicContact CD1-CD1 4.02Å; Y484-I536 HydrophobicContact CE1-CD1 3.41Å; Y484-I536 VanDerWaalsContact CE1-CD1 3.41Å; Y484-I536 HydrophobicContact CE1-CG1 4.38Å
485Y85Confident78.6Confident30 Ų3046.6 Ų46.612%0.11824%0.243CC..EExtended strand (participates in β ladder)trans-98.5155.7172.9-63.3-58000111.4R404 L462 V463 Q465R404-Y485 PolarHBondContact NH1-OH 2.79Å; L462-Y485 CarbonylContact C-O 3.41Å; L462-Y485 WeakPolarHBondContact CA-O 3.38Å; V463-Y485 PolarHBondContact N-O 2.77Å; V463-Y485 PolarHBondContact O-N 3.06Å; Q465-Y485 HydrophobicContact CB-CD2 4.1Å; Q465-Y485 HydrophobicContact CB-CE2 3.59Å; Q465-Y485 HydrophobicContact CG-CE2 3.73Å; Q465-Y485 PolarHBondContact OE1-OH 2.79Å
486V86.5Confident79.4Confident10 Ų1039.8 Ų39.86%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-84.2132.8171.4-176.10000109.5F460 V461 L462 V515 I538 F543 L548F460-V486 HydrophobicContact CD1-CG1 4.15Å; V461-V486 WeakPolarHBondContact O-CA 3.3Å; L462-V486 HydrophobicContact CD2-CG2 3.72Å; V486-V515 HydrophobicContact CB-CG2 4.43Å; V486-V515 HydrophobicContact CG1-CG2 3.97Å; V486-V515 PolarHBondContact O-N 3.29Å; V486-I538 HydrophobicContact CG1-CD1 4.21Å; V486-I538 HydrophobicContact CG2-CD1 4.38Å; V486-F543 HydrophobicContact CG1-CD2 3.96Å; V486-F543 HydrophobicContact CG1-CE2 3.86Å; V486-L548 HydrophobicContact CG2-CD1 3.88Å
487A87.2Confident79.7Confident0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-131.2154.7170.300000110.4V461 V463 V512 E513 F514V461-A487 HydrophobicContact CG2-CB 4.2Å; V461-A487 WeakPolarHBondContact CG2-O 3.38Å; V461-A487 PolarHBondContact N-O 3.13Å; V461-A487 PolarHBondContact O-N 2.91Å; V463-A487 HydrophobicContact CG2-CB 3.9Å; A487-V512 HydrophobicContact CB-CB 3.83Å; A487-V512 HydrophobicContact CB-CG1 4.47Å; A487-V512 HydrophobicContact CB-CG2 3.71Å; A487-E513 CarbonylContact C-O 3.43Å; A487-E513 WeakPolarHBondContact CA-O 3.22Å; A487-E513 WeakPolarHBondContact CB-O 3.41Å; A487-F514 HydrophobicContact CB-CD1 3.87Å; A487-F514 HydrophobicContact CB-CE1 4.29Å; A487-F514 HydrophobicContact CB-CG 4.34Å
488K89.1Confident79.2Confident92 Ų9233.3 Ų33.340%0.418%0.181SC..EExtended strand (participates in β ladder)trans-101.4133.6173.4-175.6-179178.5-176.10109.4F460 L490 V512 E513F460-K488 HydrophobicContact CD1-CB 4.25Å; F460-K488 HydrophobicContact CE1-CB 4.17Å; F460-K488 HydrophobicContact CE1-CD 4.46Å; F460-K488 HydrophobicContact CE1-CG 4.32Å; K488-L490 PolarHBondContact O-N 2.83Å; K488-V512 CarbonylContact O-C 3.58Å; K488-V512 WeakPolarHBondContact O-CA 3.34Å; K488-V512 WeakPolarHBondContact O-CB 3.37Å; K488-E513 PolarHBondContact N-O 2.99Å; K488-E513 PolarHBondContact O-N 2.98Å
489V90.6Very high78.1Confident1 Ų132.4 Ų32.41%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-76.6116.1177.4-174.60000109.3V455 G458 D459 V461 L510 V512V455-V489 HydrophobicContact CG1-CG2 3.65Å; G458-V489 WeakPolarHBondContact CA-O 3.5Å; G458-V489 PolarHBondContact N-O 3.42Å; D459-V489 HydrophobicContact CB-CG2 4.35Å; D459-V489 PolarHBondContact O-N 2.86Å; V461-V489 HydrophobicContact CG1-CG2 3.79Å; V461-V489 HydrophobicContact CG2-CG2 3.9Å; V489-L510 HydrophobicContact CG1-CD2 3.97Å; V489-V512 HydrophobicContact CG2-CG1 4.28Å
490L89.2Confident76.4Confident67 Ų6739.7 Ų39.735%0.35121%0.205SC..EExtended strand (participates in β ladder)trans-84-40.8176.2-59.4-177.5000111.6K488 V511 E513 N527K488-L490 PolarHBondContact O-N 2.83Å; L490-V511 PolarHBondContact N-O 3.23Å; L490-E513 HydrophobicContact CD1-CB 4.1Å; L490-E513 HydrophobicContact CD2-CB 4.14Å; L490-E513 HydrophobicContact CG-CB 4.18Å; L490-N527 HydrophobicContact CD1-CB 4.38Å; L490-N527 VanDerWaalsContact CD1-OD1 3.26Å; L490-N527 WeakPolarHBondContact CD1-OD1 3.5Å
491S88Confident74.6Confident57 Ų5745.7 Ų45.740%0.39924%0.239SC..EExtended strand (participates in β ladder)trans-160.2171.9178.168.10000111.6V511S491-V511 PolarHBondContact N-O 3.3Å; S491-V511 PolarHBondContact O-N 3.08Å
492G85.2Confident72.6Confident20 Ų2045 Ų4521%0.20625%0.25CS..EExtended strand (participates in β ladder)trans105.3-177.5-171.400000111.6K508G492-K508 WeakPolarHBondContact CA-O 3.47Å
493Y83.5Confident70.6Confident27 Ų2751.9 Ų51.911%0.10628%0.278CS..EExtended strand (participates in β ladder)trans-163.5132.9175.7176.1-113.8000109.3V455 D456 S495 V505 D507 K508V455-Y493 WeakPolarHBondContact O-CA 3.29Å; V455-Y493 WeakPolarHBondContact O-CD2 3.2Å; D456-Y493 WeakPolarHBondContact OD1-CD2 3.46Å; D456-Y493 VanDerWaalsContact OD1-CE2 3.24Å; D456-Y493 WeakPolarHBondContact OD1-CE2 3.42Å; Y493-S495 VanDerWaalsContact CE1-CB 3.43Å; Y493-S495 WeakPolarHBondContact OH-CA 3.33Å; Y493-S495 PolarHBondContact OH-OG 3.42Å; Y493-V505 HydrophobicContact CD1-CB 3.98Å; Y493-V505 HydrophobicContact CD1-CG1 3.56Å; Y493-V505 HydrophobicContact CE1-CB 3.67Å; Y493-V505 HydrophobicContact CE1-CG1 3.81Å; Y493-V505 HydrophobicContact CG-CG1 4.21Å; Y493-D507 CarbonylContact O-C 3.54Å; Y493-D507 VanDerWaalsContact O-CA 3.28Å; Y493-D507 WeakPolarHBondContact O-CA 3.25Å; Y493-K508 PolarHBondContact N-O 3.18Å; Y493-K508 PolarHBondContact O-N 2.81Å
494E79.7Confident68.8Low4 Ų457 Ų572%0.01931%0.31CS..BIsolated β-bridgetrans-122.4118.4165.5-66.7-171.6-161.800109.6P454 V455 R496 L510 F532 N533P454-E494 VanDerWaalsContact CA-O 3.3Å; P454-E494 WeakPolarHBondContact CA-O 3.34Å; P454-E494 WeakPolarHBondContact CB-O 3.36Å; V455-E494 HydrophobicContact CB-CB 4.27Å; V455-E494 PolarHBondContact N-O 3.42Å; V455-E494 PolarHBondContact O-N 3.05Å; E494-R496 HydrophobicContact CB-CG 3.81Å; E494-R496 PolarHBondContact O-N 3.04Å; E494-R496 IonicContact OE1-NH2 2.86Å; E494-R496 IonicContact OE2-CZ 3.15Å; E494-R496 IonicContact OE2-NE 3.89Å; E494-R496 PolarHBondContact OE2-NE 2.88Å; E494-R496 IonicContact OE2-NH2 2.67Å; E494-R496 PolarHBondContact OE2-NH2 3.42Å; E494-L510 HydrophobicContact CG-CD1 4Å; E494-L510 HydrophobicContact CG-CD2 4.22Å; E494-L510 HydrophobicContact CG-CG 3.95Å; E494-L510 VanDerWaalsContact OE1-CD1 3.3Å; E494-L510 WeakPolarHBondContact OE1-CD1 3.2Å; E494-F532 HydrophobicContact CG-CD1 3.91Å; E494-F532 HydrophobicContact CG-CE1 4.36Å; E494-F532 WeakPolarHBondContact OE1-CA 3.44Å; E494-N533 PolarHBondContact OE1-N 3.15Å; E494-N533 PolarHBondContact OE2-N 2.86Å
495S67.5Low67.3Low16 Ų1660.2 Ų60.211%0.11233%0.33CS..  trans-73.826.2-170.6-157.50000114.6Y493 S497 S498 D507Y493-S495 VanDerWaalsContact CE1-CB 3.43Å; Y493-S495 WeakPolarHBondContact OH-CA 3.33Å; Y493-S495 PolarHBondContact OH-OG 3.42Å; S495-S497 PolarHBondContact O-N 3.35Å; S495-S497 VanDerWaalsContact O-N 3.07Å; S495-S498 PolarHBondContact O-N 2.91Å; S495-D507 WeakPolarHBondContact CB-OD1 3.39Å; S495-D507 PolarHBondContact N-OD1 2.9Å
496R66.2Low66.3Low18 Ų1862.2 Ų62.27%0.06835%0.348CS..THydrogen-bonded Turntrans-54.8118.8-159.7-48.6-169.7-178171.52.6111.7H451 R452 H453 P454 E494 S498 A535H451-R496 WeakPolarHBondContact O-CD 3.46Å; H451-R496 PolarHBondContact O-NH1 3.26Å; R452-R496 CarbonylContact O-C 3.56Å; R452-R496 VanDerWaalsContact O-C 3.24Å; R452-R496 VanDerWaalsContact O-CB 3.23Å; R452-R496 WeakPolarHBondContact O-CB 3.34Å; H453-R496 WeakPolarHBondContact O-CB 3.27Å; H453-R496 WeakPolarHBondContact O-CD 3.4Å; P454-R496 WeakPolarHBondContact CD-O 3.41Å; E494-R496 HydrophobicContact CB-CG 3.81Å; E494-R496 PolarHBondContact O-N 3.04Å; E494-R496 IonicContact OE1-NH2 2.86Å; E494-R496 IonicContact OE2-CZ 3.15Å; E494-R496 IonicContact OE2-NE 3.89Å; E494-R496 PolarHBondContact OE2-NE 2.88Å; E494-R496 IonicContact OE2-NH2 2.67Å; E494-R496 PolarHBondContact OE2-NH2 3.42Å; R496-S498 VanDerWaalsContact C-N 3.27Å; R496-S498 PolarHBondContact O-N 3.41Å; R496-S498 VanDerWaalsContact O-N 3.11Å; R496-A535 PolarHBondContact NH1-O 3.24Å; R496-A535 PolarHBondContact NH2-O 3.43Å
497S53.4Low65.7Low38 Ų3863.7 Ų63.727%0.26636%0.356SS..THydrogen-bonded Turntrans55.913.2176.9790000119.3Y214 G215 R452 S495Y214-S497 CarbonylContact O-C 3.58Å; Y214-S497 VanDerWaalsContact O-C 3.25Å; Y214-S497 VanDerWaalsContact O-CA 3.22Å; Y214-S497 WeakPolarHBondContact O-CA 3.42Å; G215-S497 WeakPolarHBondContact CA-O 3.13Å; R452-S497 PolarHBondContact O-OG 2.99Å; S495-S497 PolarHBondContact O-N 3.35Å; S495-S497 VanDerWaalsContact O-N 3.07Å
498S46.8Very low65.3Low54 Ų5469.2 Ų69.238%0.37838%0.38SS..  trans-150.6124178.6-1680000116.4S495 R496S495-S498 PolarHBondContact O-N 2.91Å; R496-S498 VanDerWaalsContact C-N 3.27Å; R496-S498 PolarHBondContact O-N 3.41Å; R496-S498 VanDerWaalsContact O-N 3.11Å
499I43.7Very low65Low48 Ų4867.3 Ų67.325%0.24638%0.377CS..  trans-84.6111.5164.9-65.4165000108.9C216 S219C216-I499 HydrophobicContact CB-CD1 3.92Å; C216-I499 HydrophobicContact CB-CG1 4.45Å; C216-I499 PolarHBondContact SG-N 2.7Å; C216-I499 VanDerWaalsContact SG-N 3.4Å; S219-I499 VanDerWaalsContact OG-CD1 3.32Å; S219-I499 WeakPolarHBondContact OG-CD1 3.42Å
500R40.5Very low64.7Low182 Ų18267.2 Ų67.269%0.68738%0.376SS*.  trans-77.6127162.9-76.9-170.3177.4-171.44.2110.3G502 F503R500-G502 PolarHBondContact O-N 2.63Å; R500-F503 PolarHBondContact O-N 2.86Å
501N42.3Very low64.7Low157 Ų15765.8 Ų65.884%0.8437%0.37SS*.THydrogen-bonded Turntrans49.628.3163.9-60.7-0.4000117.2F503N501-F503 PolarHBondContact O-N 2.87Å
502G42.4Very low64.7Low63 Ų6363 Ų6365%0.64935%0.351SS*.THydrogen-bonded Turntrans74.8-3.7175.500000116R500R500-G502 PolarHBondContact O-N 2.63Å
503F41.8Very low64.8Low178 Ų17865.5 Ų65.578%0.78136%0.357SS*.  trans-89.9113.3174.1-83.7-93.3000110.4R500 N501 V505R500-F503 PolarHBondContact O-N 2.86Å; N501-F503 PolarHBondContact O-N 2.87Å; F503-V505 PolarHBondContact O-N 2.9Å; F503-V505 VanDerWaalsContact O-N 3.08Å
504T48.5Very low64.8Low126 Ų12664.7 Ų64.777%0.77335%0.354SS*.  trans-77.990.2173.553.10000110.3S506T504-S506 PolarHBondContact O-N 3.36Å
505V56.1Low64.7Low76 Ų7666.4 Ų66.446%0.46137%0.365SS..PPolyproline II helixtrans-64.9128.7164.1-176.50000107.8Y493 F503Y493-V505 HydrophobicContact CD1-CB 3.98Å; Y493-V505 HydrophobicContact CD1-CG1 3.56Å; Y493-V505 HydrophobicContact CE1-CB 3.67Å; Y493-V505 HydrophobicContact CE1-CG1 3.81Å; Y493-V505 HydrophobicContact CG-CG1 4.21Å; F503-V505 PolarHBondContact O-N 2.9Å; F503-V505 VanDerWaalsContact O-N 3.08Å
506S64.4Low64.5Low73 Ų7371.9 Ų71.951%0.5139%0.387SS..PPolyproline II helixtrans-71.5137.4176.444.30000110.9T504 K508T504-S506 PolarHBondContact O-N 3.36Å; S506-K508 PolarHBondContact O-N 3.42Å
507D74.1Confident64Low41 Ų4173.1 Ų73.122%0.21939%0.393CS..PPolyproline II helixtrans-56.6131.8171.5-54.4-58.8000109.9K212 Y493 S495 F532K212-D507 WeakPolarHBondContact CE-OD2 3.41Å; K212-D507 WeakPolarHBondContact CG-OD2 3.38Å; K212-D507 IonicContact NZ-OD2 3.63Å; Y493-D507 CarbonylContact O-C 3.54Å; Y493-D507 VanDerWaalsContact O-CA 3.28Å; Y493-D507 WeakPolarHBondContact O-CA 3.25Å; S495-D507 WeakPolarHBondContact CB-OD1 3.39Å; S495-D507 PolarHBondContact N-OD1 2.9Å; D507-F532 HydrophobicContact CB-CD1 4.4Å; D507-F532 HydrophobicContact CB-CE1 3.73Å; D507-F532 HydrophobicContact CB-CZ 4.19Å
508K79.3Confident63.7Low116 Ų11677.8 Ų77.850%0.50441%0.411SS..EExtended strand (participates in β ladder)trans-122.5133.1177.9-69.2172.1-175.81760107.9G492 Y493 S506 L510G492-K508 WeakPolarHBondContact CA-O 3.47Å; Y493-K508 PolarHBondContact N-O 3.18Å; Y493-K508 PolarHBondContact O-N 2.81Å; S506-K508 PolarHBondContact O-N 3.42Å; K508-L510 PolarHBondContact O-N 3.04Å
509P81.7Confident63.6Low51 Ų5181.6 Ų81.633%0.33143%0.427SS..EExtended strand (participates in β ladder)trans-57.1131.1-174.825.2-34.7000110.3K529 F532P509-K529 HydrophobicContact CB-CG 4.31Å; P509-F532 HydrophobicContact CB-CZ 4.19Å
510L85.1Confident63.5Low0 Ų081.3 Ų81.30%043%0.429CS..EExtended strand (participates in β ladder)trans-68.3136.8-177.5-61.1174.2000110.3V455 V489 E494 K508 K529 I530 A535V455-L510 HydrophobicContact CB-CD1 4.14Å; V455-L510 HydrophobicContact CB-CD2 4.2Å; V455-L510 HydrophobicContact CG1-CD1 3.75Å; V455-L510 HydrophobicContact CG1-CD2 3.77Å; V455-L510 HydrophobicContact CG1-CG 4.44Å; V455-L510 HydrophobicContact CG2-CD1 4.43Å; V489-L510 HydrophobicContact CG1-CD2 3.97Å; E494-L510 HydrophobicContact CG-CD1 4Å; E494-L510 HydrophobicContact CG-CD2 4.22Å; E494-L510 HydrophobicContact CG-CG 3.95Å; E494-L510 VanDerWaalsContact OE1-CD1 3.3Å; E494-L510 WeakPolarHBondContact OE1-CD1 3.2Å; K508-L510 PolarHBondContact O-N 3.04Å; L510-K529 CarbonylContact O-C 3.29Å; L510-K529 WeakPolarHBondContact O-CA 3.38Å; L510-I530 HydrophobicContact CB-CB 4.33Å; L510-I530 PolarHBondContact O-N 2.9Å; L510-A535 HydrophobicContact CD1-CB 3.88Å
511V88.1Confident63.4Low36 Ų3682.5 Ų82.522%0.21844%0.443CS..EExtended strand (participates in β ladder)trans-116.9125.5169.7-178.20000107.5L490 S491 N527 F528L490-V511 PolarHBondContact N-O 3.23Å; S491-V511 PolarHBondContact N-O 3.3Å; S491-V511 PolarHBondContact O-N 3.08Å; V511-N527 HydrophobicContact CG1-CB 3.81Å; V511-F528 CarbonylContact C-O 3.48Å; V511-F528 WeakPolarHBondContact CA-O 3.38Å
512V88.7Confident63.6Low0 Ų080.3 Ų80.30%044%0.435CS..EExtended strand (participates in β ladder)trans-125.1157.1-174.7-50.90000113.1V461 A487 K488 V489 N527 F528 I530V461-V512 HydrophobicContact CG2-CG1 4.15Å; A487-V512 HydrophobicContact CB-CB 3.83Å; A487-V512 HydrophobicContact CB-CG1 4.47Å; A487-V512 HydrophobicContact CB-CG2 3.71Å; K488-V512 CarbonylContact O-C 3.58Å; K488-V512 WeakPolarHBondContact O-CA 3.34Å; K488-V512 WeakPolarHBondContact O-CB 3.37Å; V489-V512 HydrophobicContact CG2-CG1 4.28Å; V512-N527 WeakPolarHBondContact O-CA 3.21Å; V512-F528 HydrophobicContact CG2-CB 4.16Å; V512-F528 PolarHBondContact N-O 3.16Å; V512-F528 PolarHBondContact O-N 3.28Å; V512-I530 HydrophobicContact CB-CD1 4.27Å; V512-I530 HydrophobicContact CG1-CD1 3.51Å; V512-I530 HydrophobicContact CG1-CG1 4.17Å; V512-I530 HydrophobicContact CG2-CD1 3.68Å; V512-I530 HydrophobicContact CG2-CG1 4.06Å
513E86.2Confident64.1Low71 Ų7179.4 Ų79.433%0.33242%0.415SS..EExtended strand (participates in β ladder)trans-111.6128.5162.7179.5175.8-153.600108.8A487 K488 L490A487-E513 CarbonylContact C-O 3.43Å; A487-E513 WeakPolarHBondContact CA-O 3.22Å; A487-E513 WeakPolarHBondContact CB-O 3.41Å; K488-E513 PolarHBondContact N-O 2.99Å; K488-E513 PolarHBondContact O-N 2.98Å; L490-E513 HydrophobicContact CD1-CB 4.1Å; L490-E513 HydrophobicContact CD2-CB 4.14Å; L490-E513 HydrophobicContact CG-CB 4.18Å
514F83.7Confident64.3Low10 Ų1075 Ų754%0.04440%0.404CS..EExtended strand (participates in β ladder)trans-72135.7174.1-74.5-77.6000110.8V463 A487 K516 I523 F528V463-F514 HydrophobicContact CB-CE1 3.89Å; V463-F514 HydrophobicContact CB-CZ 4.39Å; V463-F514 HydrophobicContact CG1-CE1 3.82Å; V463-F514 HydrophobicContact CG1-CZ 3.8Å; A487-F514 HydrophobicContact CB-CD1 3.87Å; A487-F514 HydrophobicContact CB-CE1 4.29Å; A487-F514 HydrophobicContact CB-CG 4.34Å; F514-K516 PolarHBondContact O-N 3.44Å; F514-I523 HydrophobicContact CB-CG2 4Å; F514-I523 HydrophobicContact CD2-CG2 4.44Å; F514-F528 AromaticContact CD2-CD2 3.45Å; F514-F528 HydrophobicContact CD2-CD2 3.45Å; F514-F528 VanDerWaalsContact CD2-CD2 3.45Å; F514-F528 AromaticContact CD2-CE2 3.56Å; F514-F528 HydrophobicContact CD2-CE2 3.56Å; F514-F528 HydrophobicContact CD2-CG 4.25Å; F514-F528 HydrophobicContact CD2-CZ 4.43Å; F514-F528 HydrophobicContact CE2-CB 4.28Å; F514-F528 HydrophobicContact CE2-CD1 4.31Å; F514-F528 AromaticContact CE2-CD2 3.42Å; F514-F528 HydrophobicContact CE2-CD2 3.42Å; F514-F528 VanDerWaalsContact CE2-CD2 3.42Å; F514-F528 AromaticContact CE2-CE2 3.72Å; F514-F528 HydrophobicContact CE2-CE2 3.72Å; F514-F528 AromaticContact CE2-CG 3.75Å; F514-F528 HydrophobicContact CE2-CG 3.75Å; F514-F528 HydrophobicContact CE2-CZ 4.28Å
515V78.7Confident64.6Low40 Ų4072.3 Ų72.324%0.24239%0.39CS..PPolyproline II helixtrans-72.8120177.9-177.30000108.8F460 V486 Q517F460-V515 HydrophobicContact CE1-CG2 4.38Å; V486-V515 HydrophobicContact CB-CG2 4.43Å; V486-V515 HydrophobicContact CG1-CG2 3.97Å; V486-V515 PolarHBondContact O-N 3.29Å; V515-Q517 PolarHBondContact O-N 3.16Å
516K63.6Low65Low132 Ų13271.8 Ų71.857%0.57439%0.388SS*.PPolyproline II helixtrans-60.7134.2-177.3-73.2-177.8179.2167.90111.7F514 S525F514-K516 PolarHBondContact O-N 3.44Å; K516-S525 WeakPolarHBondContact CE-OG 3.35Å; K516-S525 PolarHBondContact NZ-OG 3.36Å
517Q55.8Low65.7Low43 Ų4373.5 Ų73.520%0.20139%0.391CS..PPolyproline II helixtrans-93128.8172.5-171.7164.151.100108.9V515 N519 S520 W554V515-Q517 PolarHBondContact O-N 3.16Å; Q517-N519 PolarHBondContact O-N 3.08Å; Q517-S520 PolarHBondContact O-N 2.9Å; Q517-W554 HydrophobicContact CB-CE3 4.36Å; Q517-W554 HydrophobicContact CB-CH2 4.15Å; Q517-W554 HydrophobicContact CB-CZ3 3.6Å; Q517-W554 HydrophobicContact CG-CE3 4.14Å; Q517-W554 HydrophobicContact CG-CH2 4.09Å; Q517-W554 HydrophobicContact CG-CZ3 3.69Å
518E47Very low66Low137 Ų13773.4 Ų73.464%0.6439%0.389SS*.THydrogen-bonded Turntrans-58.6-15.9-176.3-64.4-179.512400114.2K555E518-K555 WeakPolarHBondContact OE2-CB 3.3Å
519N44.5Very low66.1Low134 Ų13475.2 Ų75.272%0.71740%0.396SS*.THydrogen-bonded Turntrans-12028.5-177.6-67.2-34.3000114Q517Q517-N519 PolarHBondContact O-N 3.08Å
520S40.5Very low66.1Low41 Ų4172.9 Ų72.929%0.28738%0.381SS..  trans-140.8102176.1-162.20000112.7Q517 T522Q517-S520 PolarHBondContact O-N 2.9Å; S520-T522 PolarHBondContact O-N 3.03Å; S520-T522 PolarHBondContact OG-OG1 3.48Å
521E39.6Very low65.6Low208 Ų20874.3 Ų74.397%0.97239%0.391SS*.THydrogen-bonded Turntrans-69.35-174.4-59.9-176.2118.900115.5
522T45.7Very low64.9Low111 Ų11176.6 Ų76.668%0.68140%0.398SS*.THydrogen-bonded Turntrans-121.33.4-155.1480000116.2S520 P524S520-T522 PolarHBondContact O-N 3.03Å; S520-T522 PolarHBondContact OG-OG1 3.48Å; T522-P524 WeakPolarHBondContact O-CD 3.34Å
523I52.4Low64.2Low44 Ų4479.6 Ų79.623%0.22641%0.414CS..  trans-104.5101.5171.7-53.8-178.9000109.2F514F514-I523 HydrophobicContact CB-CG2 4Å; F514-I523 HydrophobicContact CD2-CG2 4.44Å
524P45.8Very low63.9Low84 Ų8477.1 Ų77.155%0.54540%0.403SS..  trans-65.9154.5172.529-34.4000110.7T522 T526T522-P524 WeakPolarHBondContact O-CD 3.34Å; P524-T526 HydrophobicContact CB-CG2 4.26Å; P524-T526 HydrophobicContact CG-CG2 4.2Å; P524-T526 PolarHBondContact O-N 3.04Å; P524-T526 PolarHBondContact O-OG1 3.04Å
525S55.3Low63.9Low70 Ų7076.6 Ų76.649%0.4940%0.401SS..SBendtrans-73.864.2173.8-77.70000111.2K516K516-S525 WeakPolarHBondContact CE-OG 3.35Å; K516-S525 PolarHBondContact NZ-OG 3.36Å
526T65.7Low64.2Low66 Ų6674.7 Ų74.741%0.40539%0.39SS..  trans-103.3140.4175.346.60000110.6P524 F528P524-T526 HydrophobicContact CB-CG2 4.26Å; P524-T526 HydrophobicContact CG-CG2 4.2Å; P524-T526 PolarHBondContact O-N 3.04Å; P524-T526 PolarHBondContact O-OG1 3.04Å; T526-F528 WeakPolarHBondContact O-CD2 3.31Å; T526-F528 WeakPolarHBondContact O-CE2 3.39Å; T526-F528 PolarHBondContact O-N 3.02Å; T526-F528 WeakPolarHBondContact OG1-CE2 3.22Å; T526-F528 WeakPolarHBondContact OG1-CZ 3.35Å
527N78.5Confident65.4Low109 Ų10970.7 Ų70.758%0.58337%0.371SS*.  trans-82.7115179.9-64.8-13.1000109.9L490 V511 V512L490-N527 HydrophobicContact CD1-CB 4.38Å; L490-N527 VanDerWaalsContact CD1-OD1 3.26Å; L490-N527 WeakPolarHBondContact CD1-OD1 3.5Å; V511-N527 HydrophobicContact CG1-CB 3.81Å; V512-N527 WeakPolarHBondContact O-CA 3.21Å
528F79.9Confident66.8Low39 Ų3968.8 Ų68.817%0.17136%0.362CS..EExtended strand (participates in β ladder)trans-96131.3-177-67.8-92.6000111.5V511 V512 F514 T526V511-F528 CarbonylContact C-O 3.48Å; V511-F528 WeakPolarHBondContact CA-O 3.38Å; V512-F528 HydrophobicContact CG2-CB 4.16Å; V512-F528 PolarHBondContact N-O 3.16Å; V512-F528 PolarHBondContact O-N 3.28Å; F514-F528 AromaticContact CD2-CD2 3.45Å; F514-F528 HydrophobicContact CD2-CD2 3.45Å; F514-F528 VanDerWaalsContact CD2-CD2 3.45Å; F514-F528 AromaticContact CD2-CE2 3.56Å; F514-F528 HydrophobicContact CD2-CE2 3.56Å; F514-F528 HydrophobicContact CD2-CG 4.25Å; F514-F528 HydrophobicContact CD2-CZ 4.43Å; F514-F528 HydrophobicContact CE2-CB 4.28Å; F514-F528 HydrophobicContact CE2-CD1 4.31Å; F514-F528 AromaticContact CE2-CD2 3.42Å; F514-F528 HydrophobicContact CE2-CD2 3.42Å; F514-F528 VanDerWaalsContact CE2-CD2 3.42Å; F514-F528 AromaticContact CE2-CE2 3.72Å; F514-F528 HydrophobicContact CE2-CE2 3.72Å; F514-F528 AromaticContact CE2-CG 3.75Å; F514-F528 HydrophobicContact CE2-CG 3.75Å; F514-F528 HydrophobicContact CE2-CZ 4.28Å; T526-F528 WeakPolarHBondContact O-CD2 3.31Å; T526-F528 WeakPolarHBondContact O-CE2 3.39Å; T526-F528 PolarHBondContact O-N 3.02Å; T526-F528 WeakPolarHBondContact OG1-CE2 3.22Å; T526-F528 WeakPolarHBondContact OG1-CZ 3.35Å
529K82.5Confident68.4Low153 Ų15363.6 Ų63.667%0.66534%0.34SS*.EExtended strand (participates in β ladder)trans-90.9112.1175.9-175.1-175.6178.1-173.40109.9P509 L510P509-K529 HydrophobicContact CB-CG 4.31Å; L510-K529 CarbonylContact O-C 3.29Å; L510-K529 WeakPolarHBondContact O-CA 3.38Å
530I80.7Confident70Confident2 Ų260.6 Ų60.61%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-87.9137.4-175.2-61.2-173.9000111.1V463 I467 L510 V512 A535V463-I530 HydrophobicContact CB-CD1 4.36Å; V463-I530 HydrophobicContact CG1-CD1 3.74Å; V463-I530 HydrophobicContact CG2-CD1 3.59Å; I467-I530 HydrophobicContact CD1-CG2 4.23Å; I467-I530 HydrophobicContact CG2-CG1 4.45Å; L510-I530 HydrophobicContact CB-CB 4.33Å; L510-I530 PolarHBondContact O-N 2.9Å; V512-I530 HydrophobicContact CB-CD1 4.27Å; V512-I530 HydrophobicContact CG1-CD1 3.51Å; V512-I530 HydrophobicContact CG1-CG1 4.17Å; V512-I530 HydrophobicContact CG2-CD1 3.68Å; V512-I530 HydrophobicContact CG2-CG1 4.06Å; I530-A535 HydrophobicContact CD1-CB 4.09Å; I530-A535 HydrophobicContact CG2-CB 4.25Å
531P75.1Confident71.4Confident31 Ų3162.3 Ų62.320%0.20133%0.33CS..PPolyproline II helixtrans-66.1140.1169.3-1931.7000112.6L473 T534L473-P531 HydrophobicContact CB-CG 4.31Å; P531-T534 VanDerWaalsContact O-CB 3.28Å; P531-T534 WeakPolarHBondContact O-CB 3.37Å; P531-T534 PolarHBondContact O-N 2.75Å; P531-T534 VanDerWaalsContact O-N 3.16Å; P531-T534 PolarHBondContact O-OG1 3.41Å
532F73.2Confident72.9Confident83 Ų8354.3 Ų54.336%0.36429%0.294SS..THydrogen-bonded Turntrans-50139.6-176.9-70-65000114.3E494 D507 P509 T534E494-F532 HydrophobicContact CG-CD1 3.91Å; E494-F532 HydrophobicContact CG-CE1 4.36Å; E494-F532 WeakPolarHBondContact OE1-CA 3.44Å; D507-F532 HydrophobicContact CB-CD1 4.4Å; D507-F532 HydrophobicContact CB-CE1 3.73Å; D507-F532 HydrophobicContact CB-CZ 4.19Å; P509-F532 HydrophobicContact CB-CZ 4.19Å; F532-T534 VanDerWaalsContact C-N 3.27Å; F532-T534 PolarHBondContact O-N 2.67Å
533N72.8Confident74Confident63 Ų6351.8 Ų51.834%0.33727%0.274SS..THydrogen-bonded Turntrans69.64.8-176.9-44.3-97000116.2H451 E494H451-N533 VanDerWaalsContact NE2-CA 3.27Å; H451-N533 WeakPolarHBondContact NE2-CA 3.35Å; H451-N533 WeakPolarHBondContact NE2-CB 3.34Å; H451-N533 PolarHBondContact NE2-O 3.5Å; E494-N533 PolarHBondContact OE1-N 3.15Å; E494-N533 PolarHBondContact OE2-N 2.86Å
534T79.9Confident74.5Confident19 Ų1956 Ų5612%0.11729%0.292CS..  trans-91-35.3-175.9-38.30000113.9P464 I467 P531 F532P464-T534 HydrophobicContact CG-CG2 4.01Å; I467-T534 HydrophobicContact CD1-CG2 3.8Å; P531-T534 VanDerWaalsContact O-CB 3.28Å; P531-T534 WeakPolarHBondContact O-CB 3.37Å; P531-T534 PolarHBondContact O-N 2.75Å; P531-T534 VanDerWaalsContact O-N 3.16Å; P531-T534 PolarHBondContact O-OG1 3.41Å; F532-T534 VanDerWaalsContact C-N 3.27Å; F532-T534 PolarHBondContact O-N 2.67Å
535A84.4Confident74.8Confident0 Ų060.4 Ų60.40%030%0.298CS..SBendtrans-66.5160.7169.400000111.4V461 L462 R496 L510 I530V461-A535 HydrophobicContact CB-CB 4.07Å; V461-A535 HydrophobicContact CG1-CB 4.13Å; V461-A535 HydrophobicContact CG2-CB 4.27Å; L462-A535 CarbonylContact O-C 3.58Å; R496-A535 PolarHBondContact NH1-O 3.24Å; R496-A535 PolarHBondContact NH2-O 3.43Å; L510-A535 HydrophobicContact CD1-CB 3.88Å; I530-A535 HydrophobicContact CD1-CB 4.09Å; I530-A535 HydrophobicContact CG2-CB 4.25Å
536I86.3Confident74.5Confident0 Ų060 Ų600%029%0.291CS..EExtended strand (participates in β ladder)trans-134117.9179.1-57.8170.9000108.1L395 Y447 F450 V461 L462 Y484L395-I536 HydrophobicContact CD1-CD1 3.88Å; L395-I536 HydrophobicContact CD1-CG2 4.45Å; Y447-I536 HydrophobicContact CD2-CD1 3.66Å; Y447-I536 HydrophobicContact CE2-CD1 3.42Å; Y447-I536 VanDerWaalsContact CE2-CD1 3.42Å; Y447-I536 HydrophobicContact CE2-CG1 4.16Å; F450-I536 HydrophobicContact CB-CG2 3.52Å; V461-I536 CarbonylContact C-O 3.59Å; V461-I536 WeakPolarHBondContact CA-O 3.49Å; V461-I536 WeakPolarHBondContact CB-O 3.08Å; L462-I536 HydrophobicContact CB-CB 4.25Å; L462-I536 PolarHBondContact N-O 3.21Å; L462-I536 PolarHBondContact O-N 2.84Å; Y484-I536 HydrophobicContact CD1-CD1 4.02Å; Y484-I536 HydrophobicContact CE1-CD1 3.41Å; Y484-I536 VanDerWaalsContact CE1-CD1 3.41Å; Y484-I536 HydrophobicContact CE1-CG1 4.38Å
537W88Confident73.6Confident47 Ų4761.3 Ų61.318%0.17829%0.294CS..EExtended strand (participates in β ladder)trans-65.1136.5-178.5177.391.3000111.5F450 H453 V455 D459 P539F450-W537 VanDerWaalsContact CB-O 3.26Å; F450-W537 WeakPolarHBondContact CB-O 3.41Å; F450-W537 HydrophobicContact CD1-CE3 4.28Å; F450-W537 HydrophobicContact CD1-CZ3 4.43Å; F450-W537 PolarHBondContact O-N 3.05Å; H453-W537 HydrophobicContact CB-CB 3.99Å; H453-W537 HydrophobicContact CB-CD2 3.72Å; H453-W537 HydrophobicContact CB-CE3 3.54Å; H453-W537 HydrophobicContact CB-CG 3.93Å; H453-W537 HydrophobicContact CB-CZ3 4.19Å; H453-W537 AromaticContact CD2-CE3 3.4Å; H453-W537 VanDerWaalsContact CD2-CE3 3.4Å; H453-W537 AromaticContact CD2-CZ3 3.4Å; H453-W537 VanDerWaalsContact CD2-CZ3 3.4Å; H453-W537 WeakPolarHBondContact CD2-CZ3 3.37Å; H453-W537 AromaticContact CG-CE3 3.55Å; H453-W537 AromaticContact CG-CZ3 3.72Å; H453-W537 AromaticContact NE2-CZ3 3.84Å; V455-W537 HydrophobicContact CG2-CB 4.29Å; D459-W537 VanDerWaalsContact CG-CD1 3.42Å; D459-W537 VanDerWaalsContact CG-NE1 3.28Å; D459-W537 PolarHBondContact OD1-NE1 3.48Å; D459-W537 PolarHBondContact OD2-NE1 3.32Å; W537-P539 HydrophobicContact CE3-CG 4.4Å; W537-P539 HydrophobicContact CH2-CB 3.91Å; W537-P539 HydrophobicContact CH2-CG 3.67Å; W537-P539 HydrophobicContact CZ3-CB 4.28Å; W537-P539 HydrophobicContact CZ3-CG 3.55Å
538I85.7Confident72.3Confident4 Ų457.1 Ų57.12%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-122.3137.8171.254.6167.9000111.1F460 L462 V486 N540 F543F460-I538 HydrophobicContact CB-CD1 4.07Å; F460-I538 HydrophobicContact CB-CG1 3.77Å; F460-I538 WeakPolarHBondContact O-CG1 3.38Å; F460-I538 PolarHBondContact O-N 2.7Å; L462-I538 HydrophobicContact CD1-CG2 3.71Å; L462-I538 HydrophobicContact CG-CD1 4.35Å; L462-I538 HydrophobicContact CG-CG2 3.81Å; V486-I538 HydrophobicContact CG1-CD1 4.21Å; V486-I538 HydrophobicContact CG2-CD1 4.38Å; I538-N540 PolarHBondContact O-N 2.78Å; I538-F543 HydrophobicContact CD1-CB 4.45Å
539P80.1Confident70.4Confident27 Ų2756.3 Ų56.318%0.17527%0.271CS..  trans-56.1138.3173.2-2026.4000111.7F450 W537 D541 L542 F543F450-P539 VanDerWaalsContact CE1-CD 3.45Å; F450-P539 HydrophobicContact CE1-CG 3.82Å; W537-P539 HydrophobicContact CE3-CG 4.4Å; W537-P539 HydrophobicContact CH2-CB 3.91Å; W537-P539 HydrophobicContact CH2-CG 3.67Å; W537-P539 HydrophobicContact CZ3-CB 4.28Å; W537-P539 HydrophobicContact CZ3-CG 3.55Å; P539-D541 HydrophobicContact CB-CB 4.45Å; P539-D541 PolarHBondContact O-N 3.16Å; P539-D541 VanDerWaalsContact O-N 3.17Å; P539-L542 HydrophobicContact CB-CB 4.45Å; P539-L542 HydrophobicContact CG-CD1 4.06Å; P539-L542 HydrophobicContact CG-CG 4.31Å; P539-L542 PolarHBondContact O-N 3.13Å; P539-F543 PolarHBondContact O-N 2.83Å
540N77.6Confident68.3Low72 Ų7254.9 Ų54.939%0.38527%0.271SS..Hα-helixtrans-52.3-38.1171.6-64.3-11.5000111.3F460 I538 L542 F543 Q544F460-N540 WeakPolarHBondContact CD2-OD1 3.33Å; I538-N540 PolarHBondContact O-N 2.78Å; N540-L542 PolarHBondContact O-N 2.95Å; N540-F543 WeakPolarHBondContact O-CB 3.5Å; N540-F543 PolarHBondContact O-N 3.37Å; N540-Q544 WeakPolarHBondContact O-CB 3.23Å; N540-Q544 VanDerWaalsContact O-CG 3.31Å; N540-Q544 WeakPolarHBondContact O-CG 3.16Å; N540-Q544 PolarHBondContact O-N 3.16Å
541D70.3Confident66.5Low77 Ų7761.3 Ų61.341%0.41230%0.299SS..Hα-helixtrans-57.1-39.2171.3-79.869.7000114.5P539 Q544 R545P539-D541 HydrophobicContact CB-CB 4.45Å; P539-D541 PolarHBondContact O-N 3.16Å; P539-D541 VanDerWaalsContact O-N 3.17Å; D541-Q544 PolarHBondContact O-N 3.29Å; D541-R545 WeakPolarHBondContact O-CB 3.49Å; D541-R545 WeakPolarHBondContact O-CD 3.46Å; D541-R545 WeakPolarHBondContact O-CG 3.44Å; D541-R545 PolarHBondContact O-N 2.96Å; D541-R545 IonicContact OD2-CZ 3.64Å; D541-R545 IonicContact OD2-NE 3.81Å; D541-R545 PolarHBondContact OD2-NE 3.42Å; D541-R545 IonicContact OD2-NH2 3.4Å; D541-R545 PolarHBondContact OD2-NH2 3.05Å
542L70.9Confident64.9Low39 Ų3960.6 Ų60.620%0.20429%0.293CS..Hα-helixtrans-76-28178.4-80.2-179.4000112.4L445 F450 P539 N540 L547L445-L542 HydrophobicContact CD2-CD1 3.91Å; F450-L542 HydrophobicContact CE1-CD1 3.98Å; F450-L542 HydrophobicContact CE2-CD1 4.39Å; F450-L542 HydrophobicContact CZ-CD1 3.53Å; P539-L542 HydrophobicContact CB-CB 4.45Å; P539-L542 HydrophobicContact CG-CD1 4.06Å; P539-L542 HydrophobicContact CG-CG 4.31Å; P539-L542 PolarHBondContact O-N 3.13Å; N540-L542 PolarHBondContact O-N 2.95Å; L542-L547 HydrophobicContact CD2-CB 4.33Å; L542-L547 HydrophobicContact CD2-CD1 3.57Å
543F69.5Low62.7Low59 Ų5964.3 Ų64.326%0.25931%0.311SS..Hα-helixtrans-69.5-44.5168.8-178.8-107.7000111.5F460 V486 I538 P539 N540F460-F543 HydrophobicContact CD1-CD1 4.28Å; F460-F543 HydrophobicContact CD1-CD2 4.24Å; F460-F543 HydrophobicContact CD1-CE1 4.19Å; F460-F543 HydrophobicContact CD1-CE2 4.15Å; F460-F543 HydrophobicContact CD1-CG 4.31Å; F460-F543 HydrophobicContact CD1-CZ 4.13Å; F460-F543 HydrophobicContact CD2-CD1 4.08Å; F460-F543 HydrophobicContact CD2-CG 4.32Å; F460-F543 HydrophobicContact CE1-CD1 4.03Å; F460-F543 AromaticContact CE1-CE1 3.59Å; F460-F543 HydrophobicContact CE1-CE1 3.59Å; F460-F543 HydrophobicContact CE1-CE2 4.15Å; F460-F543 HydrophobicContact CE1-CG 4.49Å; F460-F543 AromaticContact CE1-CZ 3.65Å; F460-F543 HydrophobicContact CE1-CZ 3.65Å; F460-F543 AromaticContact CE2-CD1 3.83Å; F460-F543 HydrophobicContact CE2-CD1 3.83Å; F460-F543 HydrophobicContact CE2-CE1 4.01Å; F460-F543 HydrophobicContact CG-CD1 4.3Å; F460-F543 HydrophobicContact CG-CD2 4.48Å; F460-F543 HydrophobicContact CG-CG 4.22Å; F460-F543 AromaticContact CZ-CD1 3.8Å; F460-F543 HydrophobicContact CZ-CD1 3.8Å; F460-F543 AromaticContact CZ-CE1 3.48Å; F460-F543 HydrophobicContact CZ-CE1 3.48Å; F460-F543 VanDerWaalsContact CZ-CE1 3.48Å; F460-F543 HydrophobicContact CZ-CZ 4.05Å; V486-F543 HydrophobicContact CG1-CD2 3.96Å; V486-F543 HydrophobicContact CG1-CE2 3.86Å; I538-F543 HydrophobicContact CD1-CB 4.45Å; P539-F543 PolarHBondContact O-N 2.83Å; N540-F543 WeakPolarHBondContact O-CB 3.5Å; N540-F543 PolarHBondContact O-N 3.37Å
544Q62.1Low60.9Low132 Ų13264.1 Ų64.162%0.61731%0.306SS*.Hα-helixtrans-82.2-33.7-174.7-71.4178.4-5.200115.5N540 D541 N546N540-Q544 WeakPolarHBondContact O-CB 3.23Å; N540-Q544 VanDerWaalsContact O-CG 3.31Å; N540-Q544 WeakPolarHBondContact O-CG 3.16Å; N540-Q544 PolarHBondContact O-N 3.16Å; D541-Q544 PolarHBondContact O-N 3.29Å; Q544-N546 PolarHBondContact O-N 3.2Å; Q544-N546 PolarHBondContact O-OD1 3.17Å
545R51.4Low58.3Low176 Ų17670.9 Ų70.966%0.66433%0.334SS*.SBendtrans-77.421.6-173.5-68.3170.7-177.1-145.85.7114.2D541 L547D541-R545 WeakPolarHBondContact O-CB 3.49Å; D541-R545 WeakPolarHBondContact O-CD 3.46Å; D541-R545 WeakPolarHBondContact O-CG 3.44Å; D541-R545 PolarHBondContact O-N 2.96Å; D541-R545 IonicContact OD2-CZ 3.64Å; D541-R545 IonicContact OD2-NE 3.81Å; D541-R545 PolarHBondContact OD2-NE 3.42Å; D541-R545 IonicContact OD2-NH2 3.4Å; D541-R545 PolarHBondContact OD2-NH2 3.05Å; R545-L547 PolarHBondContact O-N 3.28Å
546N50.1Low55.6Low63 Ų6379.5 Ų79.534%0.33737%0.372SS..SBendtrans48.122.9-176.9-63.98.2000117.1Q544 L548 S549 N550Q544-N546 PolarHBondContact O-N 3.2Å; Q544-N546 PolarHBondContact O-OD1 3.17Å; N546-L548 CarbonylContact O-C 3.53Å; N546-L548 PolarHBondContact O-N 3.33Å; N546-S549 VanDerWaalsContact CG-CB 3.49Å; N546-S549 PolarHBondContact ND2-OG 2.76Å; N546-S549 VanDerWaalsContact ND2-OG 3.13Å; N546-S549 PolarHBondContact O-N 3.36Å; N546-N550 HydrophobicContact CB-CB 4.13Å; N546-N550 WeakPolarHBondContact CB-ND2 3.46Å; N546-N550 WeakPolarHBondContact CB-OD1 3.36Å; N546-N550 PolarHBondContact ND2-OD1 2.89Å; N546-N550 WeakPolarHBondContact O-CB 3.46Å; N546-N550 PolarHBondContact O-N 2.78Å
547L47.6Very low52.8Low92 Ų9284.4 Ų84.448%0.48240%0.402SS..THydrogen-bonded Turntrans-64.6-28.1173.3-114.9160.5000111.5L542 R545L542-L547 HydrophobicContact CD2-CB 4.33Å; L542-L547 HydrophobicContact CD2-CD1 3.57Å; R545-L547 PolarHBondContact O-N 3.28Å
548L50.6Low50Low22 Ų2287.7 Ų87.712%0.11543%0.429CS..THydrogen-bonded Turntrans-75.9-64.6159.5-61.8170000110.4L405 V486 N546 N550 K551 I552L405-L548 HydrophobicContact CD1-CD2 3.77Å; L405-L548 HydrophobicContact CG-CD2 4.34Å; V486-L548 HydrophobicContact CG2-CD1 3.88Å; N546-L548 CarbonylContact O-C 3.53Å; N546-L548 PolarHBondContact O-N 3.33Å; L548-N550 PolarHBondContact O-N 3.5Å; L548-K551 PolarHBondContact O-N 3Å; L548-I552 HydrophobicContact CD2-CD1 4.09Å; L548-I552 WeakPolarHBondContact O-CA 3.29Å; L548-I552 WeakPolarHBondContact O-CB 3.42Å; L548-I552 PolarHBondContact O-N 2.9Å
549S40.5Very low47.4Very low21 Ų2193.9 Ų93.915%0.14747%0.467CS..THydrogen-bonded Turntrans-56.4-31.7-167.2152.90000118.1N546 I552 W554N546-S549 VanDerWaalsContact CG-CB 3.49Å; N546-S549 PolarHBondContact ND2-OG 2.76Å; N546-S549 VanDerWaalsContact ND2-OG 3.13Å; N546-S549 PolarHBondContact O-N 3.36Å; S549-I552 CarbonylContact C-O 3.15Å; S549-I552 VanDerWaalsContact CA-O 3.27Å; S549-I552 WeakPolarHBondContact CA-O 3.47Å; S549-W554 WeakPolarHBondContact CB-O 3.29Å; S549-W554 PolarHBondContact OG-O 3.35Å
550N37.4Very low45.1Very low124 Ų124101.3 Ų101.366%0.66350%0.5SS*.THydrogen-bonded Turntrans-92-12.4-172.3-75.3-9.2000114.5N546 L548N546-N550 HydrophobicContact CB-CB 4.13Å; N546-N550 WeakPolarHBondContact CB-ND2 3.46Å; N546-N550 WeakPolarHBondContact CB-OD1 3.36Å; N546-N550 PolarHBondContact ND2-OD1 2.89Å; N546-N550 WeakPolarHBondContact O-CB 3.46Å; N546-N550 PolarHBondContact O-N 2.78Å; L548-N550 PolarHBondContact O-N 3.5Å
551K42.4Very low42.6Very low137 Ų137107.5 Ų107.560%0.59653%0.526SS*.THydrogen-bonded Turntrans-123.1-19.6173-79.4-161.8174.9-166.90114E443 L548E443-K551 IonicContact OE1-NZ 3.93Å; E443-K551 PolarHBondContact OE1-NZ 3.14Å; L548-K551 PolarHBondContact O-N 3Å
552I42Very low40.6Very low15 Ų15108.3 Ų108.38%0.07754%0.538CS..THydrogen-bonded Turntrans-113.9121.5165.7-40.4173.1000104.1S403 L405 L548 S549 W554S403-I552 WeakPolarHBondContact O-CD1 3.31Å; S403-I552 WeakPolarHBondContact O-CG1 3.27Å; L405-I552 HydrophobicContact CG-CD1 4.43Å; L548-I552 HydrophobicContact CD2-CD1 4.09Å; L548-I552 WeakPolarHBondContact O-CA 3.29Å; L548-I552 WeakPolarHBondContact O-CB 3.42Å; L548-I552 PolarHBondContact O-N 2.9Å; S549-I552 CarbonylContact C-O 3.15Å; S549-I552 VanDerWaalsContact CA-O 3.27Å; S549-I552 WeakPolarHBondContact CA-O 3.47Å; I552-W554 PolarHBondContact O-N 2.93Å
553Q26.8Very low38.5Very low162 Ų162115 Ų11576%0.75757%0.568SS**THydrogen-bonded Turntrans-64.7108.1-174.3-83-173.5-2100111.6
554W35.2Very low36.5Very low58 Ų58120.4 Ų120.422%0.2260%0.598CS.*  trans-133.4125.3162-49.988.3000106.1Q517 S549 I552Q517-W554 HydrophobicContact CB-CE3 4.36Å; Q517-W554 HydrophobicContact CB-CH2 4.15Å; Q517-W554 HydrophobicContact CB-CZ3 3.6Å; Q517-W554 HydrophobicContact CG-CE3 4.14Å; Q517-W554 HydrophobicContact CG-CH2 4.09Å; Q517-W554 HydrophobicContact CG-CZ3 3.69Å; S549-W554 WeakPolarHBondContact CB-O 3.29Å; S549-W554 PolarHBondContact OG-O 3.35Å; I552-W554 PolarHBondContact O-N 2.93Å
555K26.4Very low34.8Very low162 Ų162118.5 Ų118.570%0.70460%0.599SS**  trans-110.3152.8162.4-93.3-175.2172.6-175.80108.9E518E518-K555 WeakPolarHBondContact OE2-CB 3.3Å
556F27.4Very low33.6Very low181 Ų181117.5 Ų117.579%0.79461%0.607SS**  trans-141.6117.1166.7-150.5-85.5000106.8
557T27.8Very low32.7Very low102 Ų102119.2 Ų119.263%0.62663%0.63SS**  trans-89.2118.9178.3-380000107.3T559T557-T559 PolarHBondContact O-N 3.04Å
558P28.1Very low31.8Very low117 Ų117123.8 Ų123.876%0.7665%0.648SS**  trans-71.2124.4171.229.6-31.7000108.4
559T31.3Very low30.7Very low133 Ų133130.8 Ų130.882%0.81668%0.684SS**  trans-123.9135.2171.1-43.50000107.8T557T557-T559 PolarHBondContact O-N 3.04Å
560E31.6Very low29.9Very low184 Ų184135.4 Ų135.486%0.8672%0.716SS**  trans-83.2150.1-159.3-60.5169.8134.600113.2S562E560-S562 PolarHBondContact O-N 3.27Å
561E26.1Very low29.3Very low201 Ų201134.3 Ų134.394%0.93972%0.718SS**  trans-74.3105.2168.5-69.3-172.9143.600110.4
562S27.4Very low28.6Very low95 Ų95132.8 Ų132.866%0.66472%0.72SS**  trans-156.3117.6149480000113.5E560E560-S562 PolarHBondContact O-N 3.27Å
563H26Very low28.1Very low179 Ų179141.2 Ų141.283%0.82976%0.756SS**  trans14.8134.7151.4-44.9-69.7000121.1
564I28.9Very low28.4Very low173 Ų173138.5 Ų138.589%0.88775%0.753SS**  -159.5152.1110.8-98.7151.6000109.1
565S25.6Very low28.1Very low92 Ų92141.6 Ų141.664%0.64378%0.783SS**  trans-96.7162-18055.10000112.6
566D27.2Very low28.4Very low154 Ų154136.7 Ų136.782%0.82478%0.779SS**  167.8126.2116.3-86.80.5000112.7
567A30.5Very low28.7Very low99 Ų99134.5 Ų134.582%0.81878%0.78SS**  trans179.793.2146.700000111.9
568Q29.1Very low28.9Very low188 Ų188138.2 Ų138.288%0.87979%0.788SS**  trans11.5123.4149.7-59.2173.3-5.400119.7
569I27.6Very low29Very low170 Ų170137.7 Ų137.787%0.87278%0.782SS**  -153.4131.898.1-92151.7000108.1
570S24.1Very low28.9Very low117 Ų117137 Ų13782%0.81878%0.779SS**  trans-153.5141.1174176.90000109.5
571C25Very low28.8Very low102 Ų102133.7 Ų133.769%0.68977%0.771SS**  trans-113.9119.8175.7-640000109.9
572T27.7Very low29Very low104 Ų104131.2 Ų131.264%0.63876%0.763SS**  trans56130.9139.557.60000119.8
573F30Very low29Very low192 Ų192132 Ų13284%0.84276%0.764SS**  cis-151.4-154-2.3-80-62.2000108
574P33.1Very low29.2Very low105 Ų105131 Ų13168%0.68277%0.765SS**  -130166.7-92.241.3-24.8000116.6
575S29.9Very low29.1Very low123 Ų123130.3 Ų130.386%0.8676%0.763SS**  trans65.5137.7155.364.80000120.2
576G32.6Very low29.4Very low60 Ų60132.9 Ų132.962%0.61977%0.774SS**  cis163.8171.9-11.700000115.1
577T33Very low29.3Very low134 Ų134133.9 Ų133.982%0.82277%0.774SS**  trans67.4146.4169.564.20000117.1
578K32.6Very low29.4Very low181 Ų181135.7 Ų135.779%0.78778%0.775SS**  cis-168.7163-5.1-109.5173.8176-178.20107.5
579T29.6Very low29.5Very low105 Ų105131.6 Ų131.664%0.64476%0.764SS**  cis-176167.9-27.927.10000108.6
580T30.4Very low29.5Very low120 Ų120130.2 Ų130.274%0.73676%0.759SS**  trans66.2148.9148.945.30000120.5
581T28.4Very low29.6Very low114 Ų114131.3 Ų131.370%0.69976%0.761SS**  cis177.6179.6-36.428.70000109.3
582L30.2Very low29.8Very low149 Ų149130.3 Ų130.378%0.7877%0.768SS**  trans83.7118.4166.5-48.9173.1000114.4
583T27.3Very low29.6Very low110 Ų110131.7 Ų131.768%0.67578%0.776SS**  cis78.3119.242.771.40000115.6
584N30.8Very low29.6Very low160 Ų160127 Ų12786%0.85677%0.773SS**  -172.4152.9122.2-93-13.9000112.6
585N26.4Very low29.3Very low158 Ų158133.3 Ų133.385%0.84578%0.783SS**  trans-87.7167.7171.9-54-29.7000110.7
586V31.9Very low29.1Very low145 Ų145132 Ų13288%0.87977%0.773SS**  trans-167.6149.2136.6133.70000110.2
587E26.1Very low28.8Very low175 Ų175135.5 Ų135.582%0.81878%0.778SS**  trans-90.6171.1179.6-56.6159.7111.900112.1
588V31.1Very low28.4Very low137 Ų137137.1 Ų137.183%0.8378%0.777SS**  trans164.9135.6130.5153.70000110.7
589P31.4Very low28.1Very low102 Ų102134.5 Ų134.566%0.66277%0.771SS**  trans-101.7178.6176.839.7-36000114.6
590N27.2Very low27.9Very low142 Ų142136.1 Ų136.176%0.75977%0.774SS**  trans96.5133.2153.3-71.4-24000122.4
591T26.4Very low27.6Very low139 Ų139137.8 Ų137.885%0.85378%0.778SS**  trans70117.3147.848.80000121.4
592G29Very low27.3Very low81 Ų81142.7 Ų142.784%0.83578%0.783SS**  trans-164.5118159.700000110.1
593T25.4Very low27.2Very low134 Ų134140.5 Ų140.582%0.82278%0.778SS**  trans-114.4133.1-160.354.20000116
594A29Very low27Very low92 Ų92144.1 Ų144.176%0.7679%0.785SS**  trans-152.4117.415000000107.6
595R25.8Very low26.7Very low239 Ų239143.2 Ų143.290%0.90278%0.78SS**  54122.274.9-65.3-174.4177.5-176.3-0.1111.2
596S27.3Very low26.6Very low94 Ų94143.6 Ų143.666%0.65778%0.777SS**  cis-170.6160.421.750.40000113.3
597N26.6Very low26.3Very low135 Ų135143.8 Ų143.872%0.72277%0.772SS**  trans65.4121.1160.3-51.4-6.9000116.3
598E24.5Very low26.2Very low168 Ų168139.6 Ų139.679%0.78577%0.768SS**  72.2131.357.2-66.7-166.1159.300115.9
599N26.2Very low26.2Very low126 Ų126137.7 Ų137.767%0.67476%0.758SS**  trans105.9108.7164.9-57.1-61.2000115.8
600I24.1Very low25.8Very low139 Ų139141.5 Ų141.571%0.71376%0.764SS**  86.4149.678.1-73171000112.2
601L24.8Very low25.7Very low154 Ų154139.9 Ų139.981%0.80676%0.764SS**  trans78.2140.9-178-59.7128.3000114.5
602R22.4Very low25.6Very low217 Ų217140 Ų14082%0.81977%0.765SS**  cis69.116420.9-58.8-167.1-179.2173.45.9115.1
603P28.3Very low25.4Very low104 Ų104140 Ų14068%0.67576%0.764SS**  -122.9-153.7-68.937.7-20.9000110.6
604F21.5Very low25.3Very low185 Ų185136.9 Ų136.981%0.81176%0.759SS**  trans85.3156.2155.9-108.5-111000121.1
605N24.5Very low25.1Very low141 Ų141139.1 Ų139.175%0.75476%0.762SS**  trans-75.7165.9169.1-57.4-40.6000111.5
606Q25.7Very low25Very low167 Ų167134 Ų13478%0.7875%0.752SS**  trans133.1139.6158.2-80.5169.32400110.9
607L25Very low24.9Very low149 Ų149135.6 Ų135.678%0.7875%0.753SS**  cis-132.7165.2-11.4-58.697.9000106.9
608A24.4Very low24.8Very low87 Ų87136.5 Ų136.572%0.71975%0.75SS**  cis60.9153.539.200000115.3
609P30.1Very low24.8Very low96 Ų96134.2 Ų134.262%0.62374%0.743SS**  cis-110.3-164.9-31.422.71.4000110.4
610F24Very low24.7Very low182 Ų182135.4 Ų135.480%0.79875%0.75SS**  -163.3146.255.6-70.6-85.3000108.8
611S23.7Very low24.8Very low109 Ų109133 Ų13376%0.76275%0.745SS**  46.813682.5-62.50000114.7
612V24.5Very low24.8Very low142 Ų142130.7 Ų130.786%0.86174%0.738SS**  cis-150.9139.936.3172.60000113.2
613G24.6Very low25Very low80 Ų80126.8 Ų126.883%0.82573%0.733SS**  trans70.8156.9146.700000120.1
614G24.6Very low24.9Very low68 Ų68128.3 Ų128.370%0.70174%0.736SS**  cis157.5158.1-1300000114.3
615V24.4Very low25.2Very low139 Ų139125.4 Ų125.484%0.84273%0.729SS**  trans67.8140.7158.1-178.50000117.4
616I24.4Very low25.4Very low132 Ų132125 Ų12568%0.67773%0.727SS**  cis175.1140.2-35.8-107.6165.5000106.5
617N24.5Very low25.5Very low128 Ų128122.9 Ų122.968%0.68472%0.72SS**  trans63.9156.9163.5-76.2-25000117
618K24.8Very low25.6Very low153 Ų153120.6 Ų120.667%0.66571%0.709SS**  cis-166.8163.52-123.4168.4-171.71720112.6
619N24.5Very low25.7Very low120 Ų120125.8 Ų125.864%0.64271%0.71SS**  trans75.1141.8140.1-76-0.1000122.1
620N24.7Very low25.5Very low151 Ų151130 Ų13081%0.80772%0.719SS**  trans74.3145.5149.6-62.8-2.8000118.5
621S24.7Very low25.7Very low88 Ų88127.5 Ų127.562%0.61572%0.718SS**  cis-170.5152.1-19.5-179.80000110.9
622T25.9Very low25.6Very low107 Ų107131.5 Ų131.566%0.65672%0.722SS**  trans61.1136.7148.636.90000122.1
623N25.7Very low25.7Very low134 Ų134132 Ų13272%0.71772%0.717SS**  trans71154.7146.9-59.5-2.7000116
624N27.2Very low25.7Very low136 Ų136135 Ų13573%0.72771%0.714SS**  cis-162.7161.5-6.8-108.9-2.8000107
625N27.9Very low25.8Very low125 Ų125142.2 Ų142.267%0.66872%0.722SS**  cis-169.9-170.3-17.6-167.811000107.1
626N27.6Very low25.9Very low132 Ų132140.3 Ų140.371%0.70672%0.72SS**  trans73.1149.7157-712.5000118.6
627D27.9Very low26.2Very low122 Ų122143.4 Ų143.465%0.65273%0.725SS**  cis-168.8164.9-21.6-166.511.1000111
628N27.2Very low26.5Very low101 Ų101141.8 Ų141.854%0.5472%0.72SS.*  trans67.1151.5162.3-62.6-65.7000118.9
629R26.8Very low26.9Very low196 Ų196142.3 Ų142.374%0.7472%0.722SS**  cis-160.1143.8-7.7-117.9162.6-155.4-168.37.7111.7
630K26Very low27.4Very low185 Ų185142.4 Ų142.480%0.80472%0.723SS**  trans34.6153.1140.2-57179.8179.9-177.60120.2
631T27.3Very low28.1Very low129 Ų129139.8 Ų139.879%0.79171%0.705SS**  cis-158.2158.128.6-33.90000111.2
632K22Very low28.6Very low193 Ų193141 Ų14184%0.83971%0.705SS**  trans-148.6149167.8-152.1-179.8-176-171.60109.5
633M26.7Very low29.1Very low152 Ų152140.1 Ų140.175%0.74970%0.696SS**  trans-118.1149.3177.7-79.9-67.1-161.800111.2
634N24.2Very low29.6Very low145 Ų145141 Ų14178%0.77570%0.696SS**  trans-131.9150.2173-79.9-12000108.9
635Y27.4Very low29.8Very low219 Ų219139.5 Ų139.586%0.85969%0.686SS**  trans-132.1143.8161.6-78.5-83.4000109.5
636A26.7Very low30.1Very low98 Ų98140.3 Ų140.381%0.8168%0.683SS**  trans-142137.9174.200000108.4
637Y30.2Very low30.3Very low197 Ų197138.7 Ų138.777%0.77368%0.682SS**  trans-81.3157.4-175.3-79.7-80.3000113.2Q641Y637-Q641 VanDerWaalsContact CB-OE1 3.29Å; Y637-Q641 VanDerWaalsContact CG-OE1 3.26Å
638T31.9Very low30.5Very low95 Ų95140.6 Ų140.658%0.58369%0.687SS**  trans-84.6165.3-171.648.60000113.5D640 Q641T638-D640 VanDerWaalsContact C-N 3.28Å; T638-D640 PolarHBondContact O-N 3.2Å; T638-Q641 PolarHBondContact O-N 2.85Å
639K32.9Very low30.5Very low164 Ų164143.7 Ų143.771%0.71370%0.696SS**G310 helixtrans-59.7-32.7-169-168172.3-178.7176.80114.3Q641 L642K639-Q641 VanDerWaalsContact C-N 3.32Å; K639-Q641 PolarHBondContact O-N 3.14Å; K639-L642 VanDerWaalsContact O-CB 3.23Å; K639-L642 WeakPolarHBondContact O-CB 3.41Å; K639-L642 PolarHBondContact O-N 2.76Å
640D35.3Very low30.5Very low122 Ų122141.4 Ų141.465%0.65270%0.697SS**G310 helixtrans-69.4-30.5-172.6-44.2-67.8000112.1T638 L642 D643T638-D640 VanDerWaalsContact C-N 3.28Å; T638-D640 PolarHBondContact O-N 3.2Å; D640-L642 PolarHBondContact O-N 2.88Å; D640-D643 PolarHBondContact O-N 2.86Å
641Q37.7Very low30.6Very low95 Ų95140 Ų14044%0.44470%0.698SS.*G310 helixtrans-67.1-14.5171.1-67.1-171.4-11.600113.3Y637 T638 K639 M645Y637-Q641 VanDerWaalsContact CB-OE1 3.29Å; Y637-Q641 VanDerWaalsContact CG-OE1 3.26Å; T638-Q641 PolarHBondContact O-N 2.85Å; K639-Q641 VanDerWaalsContact C-N 3.32Å; K639-Q641 PolarHBondContact O-N 3.14Å; Q641-M645 VanDerWaalsContact O-CE 3.24Å; Q641-M645 WeakPolarHBondContact O-CE 3.31Å
642L35.4Very low30.7Very low114 Ų114139.4 Ų139.460%0.59770%0.699SS**G310 helixtrans-91.7-13.8-179.2-146.980.8000113.5K639 D640 K646K639-L642 VanDerWaalsContact O-CB 3.23Å; K639-L642 WeakPolarHBondContact O-CB 3.41Å; K639-L642 PolarHBondContact O-N 2.76Å; D640-L642 PolarHBondContact O-N 2.88Å; L642-K646 WeakPolarHBondContact O-CE 3.42Å; L642-K646 PolarHBondContact O-NZ 3.33Å
643D36.7Very low30.9Very low88 Ų88137.1 Ų137.147%0.47170%0.696SS.*THydrogen-bonded Turntrans-99-23.9179.3-75.8-39.5000112.6D640 M645 K646D640-D643 PolarHBondContact O-N 2.86Å; D643-M645 VanDerWaalsContact C-N 3.31Å; D643-M645 PolarHBondContact O-N 2.98Å; D643-K646 PolarHBondContact O-N 3.39Å; D643-K646 IonicContact OD1-NZ 2.67Å; D643-K646 PolarHBondContact OD1-NZ 2.97Å
644Q36.2Very low31Very low153 Ų153141.3 Ų141.372%0.71571%0.705SS**G310 helixtrans-68.4-25.2174.4-163169.213.800113.6K646 S647Q644-K646 PolarHBondContact O-N 3.48Å; Q644-S647 PolarHBondContact O-OG 2.91Å
645M31.5Very low31.1Very low105 Ų105138.4 Ų138.452%0.51770%0.701SS.*G310 helixtrans-775.3176.5-90.3-179.4-82.700115Q641 D643Q641-M645 VanDerWaalsContact O-CE 3.24Å; Q641-M645 WeakPolarHBondContact O-CE 3.31Å; D643-M645 VanDerWaalsContact C-N 3.31Å; D643-M645 PolarHBondContact O-N 2.98Å
646K34.2Very low31Very low142 Ų142133.4 Ų133.462%0.61770%0.698SS**G310 helixtrans-102.7-0.1-173.1-66.7174.3-175.2159.30114.8L642 D643 Q644L642-K646 WeakPolarHBondContact O-CE 3.42Å; L642-K646 PolarHBondContact O-NZ 3.33Å; D643-K646 PolarHBondContact O-N 3.39Å; D643-K646 IonicContact OD1-NZ 2.67Å; D643-K646 PolarHBondContact OD1-NZ 2.97Å; Q644-K646 PolarHBondContact O-N 3.48Å
647S31.8Very low31.1Very low97 Ų97134.2 Ų134.268%0.67870%0.698SS**SBendtrans-109.5-0.2-172.645.10000115.8Q644Q644-S647 PolarHBondContact O-OG 2.91Å
648E32.4Very low31Very low162 Ų162131.3 Ų131.376%0.75769%0.693SS**SBendtrans-109.923.4-170.6-61.7-171.5138.400114.9
649F26.7Very low30.9Very low166 Ų166134.6 Ų134.673%0.72870%0.702SS**  trans-13268.6179.9-87.9-80.3000113C196C196-F649 HydrophobicContact CB-CE2 4.47Å; C196-F649 HydrophobicContact CB-CZ 4.44Å
650I27.7Very low30.7Very low149 Ų149135.7 Ų135.776%0.76471%0.709SS**  trans-138.5135166.7-63.7-177000108
651D27.8Very low30.3Very low156 Ų156132.6 Ų132.683%0.83471%0.706SS**  trans62.3152.3178.3-53.9-22.7000116.3
652S28.9Very low29.8Very low115 Ų115131.5 Ų131.580%0.80472%0.721SS**  cis-141.5170.47.2520000113.3
653D27Very low29.4Very low145 Ų145131.3 Ų131.378%0.77573%0.729SS**  trans-75.2165.5-173.5-53.4-91.8000116.2
654Y28.9Very low28.9Very low241 Ų241132.3 Ų132.395%0.94574%0.743SS**  trans-155.8120.8134.3-124-78.2000112.4
655A25.3Very low28.4Very low83 Ų83129.6 Ų129.669%0.68674%0.741SS**  trans-152.1148.1176.600000113.6
656S25.8Very low28.2Very low114 Ų114130.9 Ų130.980%0.79775%0.75SS**  trans60.9117.2161.659.50000121.9
657S29.1Very low27.9Very low115 Ų115131.3 Ų131.380%0.80475%0.753SS**  -140.5130122.249.80000106.2
658M29Very low27.6Very low136 Ų136132 Ų13267%0.6775%0.746SS**  cis66.110149.7-62.4-167.880.700111.6
659E29Very low27.3Very low165 Ų165133.9 Ų133.977%0.77175%0.746SS**  83.3144.888.6-78.4167.6-149.600111.7
660E28Very low27.3Very low186 Ų186133.7 Ų133.787%0.86975%0.745SS**  cis-132.5-158.1-8.8-141.1-135.4122.400107.5G662E660-G662 PolarHBondContact OE1-N 3.38Å
661G26.5Very low27.3Very low57 Ų57135.1 Ų135.159%0.58875%0.746SS**  cis174.6156.82.500000114.5
662G28.3Very low27.3Very low72 Ų72133.7 Ų133.774%0.74274%0.743SS**  trans67.4171.6171.700000118.3E660E660-G662 PolarHBondContact OE1-N 3.38Å
663S26.4Very low27.2Very low110 Ų110132.4 Ų132.477%0.76973%0.734SS**  cis-164.6135.5-21.5-175.10000111.5
664S25.6Very low27.2Very low110 Ų110133.7 Ų133.777%0.76973%0.732SS**  trans66.2165.9166.597.60000115.8
665S27.3Very low27.3Very low95 Ų95127 Ų12766%0.66472%0.72SS**  cis-154.1158.7-1742.10000111.1
666N25.8Very low27.4Very low133 Ų133130.6 Ų130.671%0.71172%0.723SS**  trans39136.9143.3-70.3-25.2000123.4
667H28.3Very low27.4Very low150 Ų150129.6 Ų129.669%0.69472%0.717SS**  trans75.8155.2141.6-69.210.6000118
668Q26.6Very low27.3Very low111 Ų111130.5 Ų130.552%0.51971%0.712SS.*  cis-161.9147.4-26.9-116.1-172.85100108.2
669R25.7Very low27.1Very low202 Ų202130.6 Ų130.676%0.76271%0.714SS**  trans64.3168154.2-71.6171.5172.1159.1-8.5114.8
670K27.1Very low26.9Very low162 Ų162130.2 Ų130.270%0.70472%0.716SS**  cis-141.9147.8-10.1-120161.1179.8-177.50105.8
671K27.1Very low27Very low180 Ų180126.8 Ų126.878%0.78371%0.713SS**  47.6137.299.4-64.8-161.9174.7-166.80114.1
672T27.5Very low26.8Very low126 Ų126133.2 Ų133.277%0.77373%0.728SS**  cis-165.8-178.123.7-5.30000109.3
673S26.6Very low26.6Very low87 Ų87133.2 Ų133.261%0.60872%0.721SS**  cis-171.7162.6635.50000111.6
674K27.9Very low26.7Very low173 Ų173138.6 Ų138.675%0.75273%0.731SS**  trans68.9152.7157-71.2165.2176.9-170.20116.8
675S30.7Very low26.9Very low99 Ų99140.5 Ų140.569%0.69273%0.727SS**  cis-133.2145.20.2-14.20000108.3
676E26.7Very low26.8Very low159 Ų159140.8 Ų140.874%0.74372%0.722SS**  57.6129.480.5-59.5158.1-157.400113.2
677S27Very low26.8Very low94 Ų94140 Ų14066%0.65771%0.712SS**  cis-169.3166.5-4.359.70000113.9
678N26Very low26.9Very low134 Ų134139.4 Ų139.472%0.71771%0.709SS**  trans80.3125.6135.4-77.7-2.9000125.6
679I24.8Very low27Very low137 Ų137138 Ų13870%0.70371%0.711SS**  trans73.5110.4132.6-54.9162.8000120.1
680L24.6Very low27Very low157 Ų157133.3 Ų133.382%0.82270%0.702SS**  157.3139.7128.4-83.7-173.8000112.6
681S29.7Very low26.9Very low114 Ų114133.4 Ų133.480%0.79771%0.708SS**  trans45.5118.5169.356.90000118.3
682E24.3Very low26.9Very low192 Ų192129.5 Ų129.590%0.89771%0.71SS**  cis70.3129.218.2-150164-124.800116.4
683A23.9Very low26.8Very low73 Ų73129.4 Ų129.460%0.60371%0.714SS**  trans57.1100.2174.300000120.1
684F28.8Very low26.7Very low223 Ų223134.5 Ų134.598%0.97872%0.72SS**  -154115.8128-115.3-70.3000112.6
685H28.2Very low26.5Very low149 Ų149135 Ų13569%0.6972%0.722SS**  trans-84.5140-157.9-90.5-97.5000117.7
686D25.8Very low26.3Very low102 Ų102134.3 Ų134.355%0.54571%0.713SS.*  57.1161.3126-67.1-23.5000126.1K355K355-D686 PolarHBondContact NZ-O 2.9Å
687F25.3Very low26.1Very low117 Ų117136.3 Ų136.351%0.51372%0.723SS.*  trans73.296.3144.1-100.2-66.9000118.3K355K355-F687 PolarHBondContact NZ-O 3.39Å
688H30.3Very low26Very low136 Ų136142.2 Ų142.263%0.6373%0.731SS**  167.6119.899-88.3-79000107
689S28.6Very low25.8Very low81 Ų81145 Ų14557%0.56674%0.736SS**  83.6130.150.8-174.90000111
690D26.6Very low25.7Very low105 Ų105143.5 Ų143.556%0.56174%0.738SS**  cis-160.1-157.8-8.6-116.2-72.5000109.2R694D690-R694 IonicContact OD1-NH1 2.99Å; D690-R694 PolarHBondContact OD1-NH1 2.82Å; D690-R694 IonicContact OD2-NH1 3.87Å
691I25Very low25.7Very low164 Ų164142.4 Ų142.484%0.84174%0.742SS**SBendtrans7462.9164.8-37.2175.6000115.1
692A26.1Very low25.4Very low98 Ų98146.7 Ų146.781%0.8175%0.749SS**SBendtrans-154.2-36.915600000111.8R694A692-R694 PolarHBondContact O-N 3.43Å
693S26.7Very low25.3Very low123 Ų123141.3 Ų141.386%0.8675%0.746SS**SBendtrans-92.817.4-169.6-43.60000115.3
694R23.6Very low25.4Very low194 Ų194144.7 Ų144.773%0.73275%0.749SS**  trans-13565.9-175.1-74.8-174173.7133.5-11.4112.9D690 A692D690-R694 IonicContact OD1-NH1 2.99Å; D690-R694 PolarHBondContact OD1-NH1 2.82Å; D690-R694 IonicContact OD2-NH1 3.87Å; A692-R694 PolarHBondContact O-N 3.43Å
695F23.9Very low25.2Very low185 Ų185141.8 Ų141.881%0.81174%0.739SS**SBendtrans-127.893.8153.4-119.8-90000111.8
696V25.9Very low25.1Very low83 Ų83142 Ų14250%0.50374%0.743SS.*  trans6789149.8-173.20000116.5R698V696-R698 HydrophobicContact CG1-CB 3.62Å; V696-R698 HydrophobicContact CG1-CG 3.5Å; V696-R698 VanDerWaalsContact CG1-CG 3.5Å; V696-R698 PolarHBondContact O-N 3.19Å
697E22.7Very low25.2Very low202 Ų202147.5 Ų147.594%0.94476%0.756SS**  trans-62.1108.3137.7-67.6-177.6126.500108.9
698R24.6Very low25.5Very low217 Ų217152 Ų15282%0.81977%0.77SS**  trans-131.9100.3160.8-90.6175.7-169.6172.32.4110.9V696V696-R698 HydrophobicContact CG1-CB 3.62Å; V696-R698 HydrophobicContact CG1-CG 3.5Å; V696-R698 VanDerWaalsContact CG1-CG 3.5Å; V696-R698 PolarHBondContact O-N 3.19Å
699K23.5Very low25.7Very low193 Ų193148.7 Ų148.784%0.83976%0.76SS**  trans18.2123142.5-60.7-173.2175.9-174.80118
700S22.2Very low26.2Very low106 Ų106153 Ų15374%0.74178%0.775SS**  trans47.5102.5138.2630000119
701C24Very low26.7Very low134 Ų134152.4 Ų152.491%0.90577%0.772SS**  trans-147.587.3144.2-930000108.9
702E23.2Very low27.6Very low203 Ų203147.6 Ų147.695%0.94976%0.756SS**  trans-71.1123.7162.2-63.2173.8134.200107.4
703G23.8Very low28.4Very low79 Ų79146.8 Ų146.881%0.81474%0.736SS**  trans159.3-26.1175.800000118.4
704E24.4Very low29.1Very low145 Ų145141.6 Ų141.668%0.67870%0.701SS**  trans-100.9118.6-175.3-73.5-159.9125.100114.4I706 K736E704-I706 PolarHBondContact O-N 3.24Å; E704-K736 IonicContact OE1-NZ 3.62Å; E704-K736 PolarHBondContact OE1-NZ 2.86Å; E704-K736 IonicContact OE2-NZ 3.61Å; E704-K736 PolarHBondContact OE2-NZ 2.86Å
705Q26Very low30.2Very low162 Ų162134.7 Ų134.776%0.75768%0.681SS**  trans-70109.6169.8-71.3-173.5-5.100111.7R707Q705-R707 PolarHBondContact O-N 3.01Å
706I25.7Very low31.5Very low153 Ų153130.6 Ų130.679%0.78566%0.66SS**  trans-76.591.5174.6-54.3176.2000110E704E704-I706 PolarHBondContact O-N 3.24Å
707R27.5Very low32.7Very low217 Ų217128.6 Ų128.682%0.81965%0.646SS**PPolyproline II helixtrans-71.2128169.6-67.5-172.4177.4-164.1-1.7110.4Q705Q705-R707 PolarHBondContact O-N 3.01Å
708R30.9Very low34.2Very low213 Ų213122 Ų12280%0.80461%0.614SS**PPolyproline II helixtrans-81.3164.3177-66.7-176.7-179175.82.4111.5
709P35.4Very low35.7Very low65 Ų65113 Ų11342%0.42258%0.582SS.*PPolyproline II helixtrans-55.7142.7166.8-21.132.9000111.1A714P709-A714 HydrophobicContact CB-CB 3.88Å
710I37.6Very low37.2Very low171 Ų171107.5 Ų107.588%0.87756%0.559SS**SBendtrans-86.2-15.4-162.6-56166.3000112.3
711N38.7Very low38.5Very low94 Ų94104.7 Ų104.750%0.50354%0.535SS..SBendtrans-143.8165.6175.866.715.5000112.2E713 A714 C715N711-E713 VanDerWaalsContact C-N 3.32Å; N711-E713 PolarHBondContact O-N 3.24Å; N711-A714 PolarHBondContact O-N 2.86Å; N711-A714 WeakPolarHBondContact OD1-CB 3.49Å; N711-A714 PolarHBondContact OD1-N 3.33Å; N711-C715 PolarHBondContact O-N 2.79Å
712A42.5Very low40Very low62 Ų62102.3 Ų102.351%0.51251%0.509SS..Hα-helixtrans-61-37.7-177.100000113.1A714 C715 R716A712-A714 PolarHBondContact O-N 3.13Å; A712-C715 CarbonylContact O-C 3.57Å; A712-C715 WeakPolarHBondContact O-CB 3.3Å; A712-C715 PolarHBondContact O-N 2.92Å; A712-C715 VanDerWaalsContact O-N 3.16Å; A712-R716 PolarHBondContact O-N 3.19Å
713E43.7Very low41.5Very low82 Ų8295.7 Ų95.738%0.38348%0.48SS..Hα-helixtrans-68.2-36.8-178.5-173.158.6-164.900112.5N711 C715 R716 I717N711-E713 VanDerWaalsContact C-N 3.32Å; N711-E713 PolarHBondContact O-N 3.24Å; E713-C715 VanDerWaalsContact C-N 3.3Å; E713-C715 PolarHBondContact O-N 3.35Å; E713-R716 WeakPolarHBondContact O-CB 3.46Å; E713-R716 PolarHBondContact O-N 2.96Å; E713-R716 VanDerWaalsContact O-N 3.15Å; E713-R716 IonicContact OE1-CZ 3.84Å; E713-R716 IonicContact OE1-NE 3.75Å; E713-R716 PolarHBondContact OE1-NE 3.39Å; E713-R716 VanDerWaalsContact OE1-NE 3.16Å; E713-R716 IonicContact OE1-NH2 3.78Å; E713-R716 PolarHBondContact OE1-NH2 3.5Å; E713-R716 IonicContact OE2-CZ 2.74Å; E713-R716 IonicContact OE2-NE 2.67Å; E713-R716 PolarHBondContact OE2-NE 3.38Å; E713-R716 IonicContact OE2-NH2 2.74Å; E713-I717 HydrophobicContact CG-CD1 4.05Å; E713-I717 WeakPolarHBondContact O-CG1 3.35Å; E713-I717 PolarHBondContact O-N 3.43Å
714A41.5Very low42.8Very low14 Ų1495.8 Ų95.812%0.11646%0.464CS..Hα-helixtrans-64.5-3517200000112.2P709 N711 A712 Y718P709-A714 HydrophobicContact CB-CB 3.88Å; N711-A714 PolarHBondContact O-N 2.86Å; N711-A714 WeakPolarHBondContact OD1-CB 3.49Å; N711-A714 PolarHBondContact OD1-N 3.33Å; A712-A714 PolarHBondContact O-N 3.13Å; A714-Y718 WeakPolarHBondContact O-CB 3.04Å; A714-Y718 PolarHBondContact O-N 3.29Å; A714-Y718 VanDerWaalsContact O-N 3.08Å
715C46.5Very low43.8Very low48 Ų4890 Ų9032%0.32444%0.441SS..Hα-helixtrans-66.4-41.3169.4-76.60000112.1N711 A712 E713 Y718 N719N711-C715 PolarHBondContact O-N 2.79Å; A712-C715 CarbonylContact O-C 3.57Å; A712-C715 WeakPolarHBondContact O-CB 3.3Å; A712-C715 PolarHBondContact O-N 2.92Å; A712-C715 VanDerWaalsContact O-N 3.16Å; E713-C715 VanDerWaalsContact C-N 3.3Å; E713-C715 PolarHBondContact O-N 3.35Å; C715-Y718 PolarHBondContact O-N 3.26Å; C715-N719 WeakPolarHBondContact O-CB 3.47Å; C715-N719 VanDerWaalsContact O-CG 3.28Å; C715-N719 PolarHBondContact O-N 3.31Å; C715-N719 PolarHBondContact O-ND2 3.04Å
716R52.4Low45Very low99 Ų9984.7 Ų84.737%0.37442%0.42SS..Hα-helixtrans-61.3-51178.4-167.7177.877.3106.74.5111.3A712 E713 N719 Q720A712-R716 PolarHBondContact O-N 3.19Å; E713-R716 WeakPolarHBondContact O-CB 3.46Å; E713-R716 PolarHBondContact O-N 2.96Å; E713-R716 VanDerWaalsContact O-N 3.15Å; E713-R716 IonicContact OE1-CZ 3.84Å; E713-R716 IonicContact OE1-NE 3.75Å; E713-R716 PolarHBondContact OE1-NE 3.39Å; E713-R716 VanDerWaalsContact OE1-NE 3.16Å; E713-R716 IonicContact OE1-NH2 3.78Å; E713-R716 PolarHBondContact OE1-NH2 3.5Å; E713-R716 IonicContact OE2-CZ 2.74Å; E713-R716 IonicContact OE2-NE 2.67Å; E713-R716 PolarHBondContact OE2-NE 3.38Å; E713-R716 IonicContact OE2-NH2 2.74Å; R716-N719 PolarHBondContact O-N 3.5Å; R716-Q720 WeakPolarHBondContact O-CB 3.41Å; R716-Q720 WeakPolarHBondContact O-CG 3.5Å; R716-Q720 PolarHBondContact O-N 2.96Å
717I50.7Low46Very low41 Ų4187.3 Ų87.321%0.2142%0.422CS..Hα-helixtrans-61.6-46.3178.4-66.1167.5000110.6E713 N719 Q720 M721 L821E713-I717 HydrophobicContact CG-CD1 4.05Å; E713-I717 WeakPolarHBondContact O-CG1 3.35Å; E713-I717 PolarHBondContact O-N 3.43Å; I717-N719 PolarHBondContact O-N 3.12Å; I717-Q720 PolarHBondContact O-N 3.11Å; I717-M721 HydrophobicContact CG2-CE 3.63Å; I717-M721 HydrophobicContact CG2-SD 3.71Å; I717-M721 WeakPolarHBondContact O-CB 3.15Å; I717-M721 VanDerWaalsContact O-CG 3.27Å; I717-M721 WeakPolarHBondContact O-CG 3.28Å; I717-M721 PolarHBondContact O-N 3.3Å; I717-L821 HydrophobicContact CD1-CD1 4.36Å
718Y53.1Low46.6Very low65 Ų6582.4 Ų82.426%0.25542%0.416SS..Hα-helixtrans-59.7-46.2176.9173.2-98.1000112.5A714 C715 M721 K722 Y734 M737A714-Y718 WeakPolarHBondContact O-CB 3.04Å; A714-Y718 PolarHBondContact O-N 3.29Å; A714-Y718 VanDerWaalsContact O-N 3.08Å; C715-Y718 PolarHBondContact O-N 3.26Å; Y718-M721 PolarHBondContact O-N 2.99Å; Y718-K722 VanDerWaalsContact O-CB 3.3Å; Y718-K722 WeakPolarHBondContact O-CB 3.47Å; Y718-K722 PolarHBondContact O-N 3.1Å; Y718-Y734 HydrophobicContact CE2-CD1 4.11Å; Y718-Y734 HydrophobicContact CE2-CE1 4.38Å; Y718-M737 HydrophobicContact CD2-CB 4.45Å; Y718-M737 HydrophobicContact CD2-CE 4.2Å; Y718-M737 HydrophobicContact CE2-CB 4.35Å
719N56.1Low47Very low28 Ų2875.4 Ų75.415%0.1539%0.394CS..Hα-helixtrans-70-38.1179.8-71.6-17.8000112.2C103 C715 R716 I717 K722 D723C103-N719 WeakPolarHBondContact SG-CB 3.34Å; C715-N719 WeakPolarHBondContact O-CB 3.47Å; C715-N719 VanDerWaalsContact O-CG 3.28Å; C715-N719 PolarHBondContact O-N 3.31Å; C715-N719 PolarHBondContact O-ND2 3.04Å; R716-N719 PolarHBondContact O-N 3.5Å; I717-N719 PolarHBondContact O-N 3.12Å; N719-K722 WeakPolarHBondContact O-CB 3.47Å; N719-K722 PolarHBondContact O-N 2.64Å; N719-D723 PolarHBondContact O-N 2.75Å
720Q55Low47.5Very low76 Ų7677.8 Ų77.836%0.35541%0.41SS..Hα-helixtrans-62.4-44.3173.6-76.8-179.5-23.300111.6R716 I717 K722 D723 V724R716-Q720 WeakPolarHBondContact O-CB 3.41Å; R716-Q720 WeakPolarHBondContact O-CG 3.5Å; R716-Q720 PolarHBondContact O-N 2.96Å; I717-Q720 PolarHBondContact O-N 3.11Å; Q720-K722 VanDerWaalsContact C-N 3.31Å; Q720-K722 PolarHBondContact O-N 3.3Å; Q720-D723 PolarHBondContact O-N 3.07Å; Q720-V724 WeakPolarHBondContact O-CB 3.46Å; Q720-V724 VanDerWaalsContact O-CG2 3.31Å; Q720-V724 WeakPolarHBondContact O-CG2 3.46Å; Q720-V724 PolarHBondContact O-N 3.36Å
721M50.2Low47.7Very low48 Ų4877.7 Ų77.724%0.23641%0.405CS..Hα-helixtrans-63.2-38.5174.7-71.9170.9171.300111.9I717 Y718 A725 Y734 M737 L819I717-M721 HydrophobicContact CG2-CE 3.63Å; I717-M721 HydrophobicContact CG2-SD 3.71Å; I717-M721 WeakPolarHBondContact O-CB 3.15Å; I717-M721 VanDerWaalsContact O-CG 3.27Å; I717-M721 WeakPolarHBondContact O-CG 3.28Å; I717-M721 PolarHBondContact O-N 3.3Å; Y718-M721 PolarHBondContact O-N 2.99Å; M721-A725 WeakPolarHBondContact O-CB 3.2Å; M721-A725 PolarHBondContact O-N 3.03Å; M721-Y734 PolarHBondContact O-OH 3.26Å; M721-M737 HydrophobicContact SD-CE 4.33Å; M721-L819 HydrophobicContact CE-CB 4.21Å; M721-L819 HydrophobicContact CE-CD1 3.87Å; M721-L819 HydrophobicContact CE-CD2 4.16Å; M721-L819 HydrophobicContact CE-CG 4.29Å; M721-L819 HydrophobicContact SD-CD1 3.76Å
722K55.9Low47.9Very low84 Ų8476.8 Ų76.837%0.36540%0.4SS..Hα-helixtrans-64.5-49.2175.5-172.5-163.6170.3-150.20112.4Y718 N719 Q720 V724 A725 T726 Y734Y718-K722 VanDerWaalsContact O-CB 3.3Å; Y718-K722 WeakPolarHBondContact O-CB 3.47Å; Y718-K722 PolarHBondContact O-N 3.1Å; N719-K722 WeakPolarHBondContact O-CB 3.47Å; N719-K722 PolarHBondContact O-N 2.64Å; Q720-K722 VanDerWaalsContact C-N 3.31Å; Q720-K722 PolarHBondContact O-N 3.3Å; K722-V724 PolarHBondContact O-N 2.89Å; K722-A725 PolarHBondContact O-N 3.06Å; K722-T726 HydrophobicContact CG-CG2 4.4Å; K722-T726 WeakPolarHBondContact O-CB 3.48Å; K722-T726 WeakPolarHBondContact O-CG2 3.26Å; K722-T726 PolarHBondContact O-N 3.24Å; K722-T726 PolarHBondContact O-OG1 2.87Å; K722-Y734 WeakPolarHBondContact CA-OH 3.34Å; K722-Y734 HydrophobicContact CB-CE1 4.46Å; K722-Y734 HydrophobicContact CB-CE2 4.33Å; K722-Y734 HydrophobicContact CG-CD2 4.15Å; K722-Y734 HydrophobicContact CG-CE2 3.89Å
723D54Low47.9Very low63 Ų6379.9 Ų79.934%0.33740%0.404SS..Hα-helixtrans-62-43.2178.3-84.123.3000110.5K78 N719 Q720 T726 Y727K78-D723 IonicContact NZ-OD2 3.35Å; K78-D723 PolarHBondContact NZ-OD2 3.14Å; N719-D723 PolarHBondContact O-N 2.75Å; Q720-D723 PolarHBondContact O-N 3.07Å; D723-T726 PolarHBondContact O-OG1 3.15Å; D723-Y727 VanDerWaalsContact O-CB 3.23Å; D723-Y727 WeakPolarHBondContact O-CB 3.44Å; D723-Y727 PolarHBondContact O-N 3.31Å
724V51.1Low47.6Very low81 Ų8179.7 Ų79.749%0.49140%0.401SS..Hα-helixtrans-63.7-47.1176.2169.90000112Q720 K722 Y727 V728Q720-V724 WeakPolarHBondContact O-CB 3.46Å; Q720-V724 VanDerWaalsContact O-CG2 3.31Å; Q720-V724 WeakPolarHBondContact O-CG2 3.46Å; Q720-V724 PolarHBondContact O-N 3.36Å; K722-V724 PolarHBondContact O-N 2.89Å; V724-Y727 PolarHBondContact O-N 3.44Å; V724-V728 WeakPolarHBondContact O-CG2 3.38Å; V724-V728 PolarHBondContact O-N 3.2Å; V724-V728 VanDerWaalsContact O-N 3.15Å
725A44.4Very low47.3Very low23 Ų2380.1 Ų80.119%0.1941%0.406CS..Hα-helixtrans-74.7-34.7-175.700000112.6M721 K722 Y727 V728 D729 L732 Y734M721-A725 WeakPolarHBondContact O-CB 3.2Å; M721-A725 PolarHBondContact O-N 3.03Å; K722-A725 PolarHBondContact O-N 3.06Å; A725-Y727 VanDerWaalsContact C-N 3.28Å; A725-Y727 PolarHBondContact O-N 2.97Å; A725-V728 PolarHBondContact O-N 3.01Å; A725-D729 PolarHBondContact O-N 3.18Å; A725-L732 HydrophobicContact CB-CD2 3.59Å; A725-Y734 HydrophobicContact CB-CE2 4.38Å; A725-Y734 WeakPolarHBondContact CB-OH 3.42Å
726T51.2Low46.5Very low52 Ų5282.7 Ų82.732%0.31941%0.412SS..Hα-helixtrans-73.8-18173.455.90000113.5K722 D723 D729 Y734K722-T726 HydrophobicContact CG-CG2 4.4Å; K722-T726 WeakPolarHBondContact O-CB 3.48Å; K722-T726 WeakPolarHBondContact O-CG2 3.26Å; K722-T726 PolarHBondContact O-N 3.24Å; K722-T726 PolarHBondContact O-OG1 2.87Å; D723-T726 PolarHBondContact O-OG1 3.15Å; T726-D729 WeakPolarHBondContact CA-O 3.32Å; T726-Y734 HydrophobicContact CG2-CD2 4.47Å; T726-Y734 HydrophobicContact CG2-CE2 4.15Å
727Y46.7Very low45.3Very low207 Ų20780.6 Ų80.681%0.81241%0.407SS*.Hα-helixtrans-75.9-33.5166.8177.5-92.6000112.6D723 V724 A725D723-Y727 VanDerWaalsContact O-CB 3.23Å; D723-Y727 WeakPolarHBondContact O-CB 3.44Å; D723-Y727 PolarHBondContact O-N 3.31Å; V724-Y727 PolarHBondContact O-N 3.44Å; A725-Y727 VanDerWaalsContact C-N 3.28Å; A725-Y727 PolarHBondContact O-N 2.97Å
728V42.1Very low44.1Very low115 Ų11586.5 Ų86.570%0.69743%0.428SS*.Hα-helixtrans-80-39.6176.8172.10000112.1V724 A725V724-V728 WeakPolarHBondContact O-CG2 3.38Å; V724-V728 PolarHBondContact O-N 3.2Å; V724-V728 VanDerWaalsContact O-N 3.15Å; A725-V728 PolarHBondContact O-N 3.01Å
729D39Very low42.9Very low65 Ų6587.4 Ų87.435%0.34844%0.436SS..  trans-137.9103.1178.8179.1-1.2000110.3A725 T726 E731 L732A725-D729 PolarHBondContact O-N 3.18Å; T726-D729 WeakPolarHBondContact CA-O 3.32Å; D729-E731 PolarHBondContact O-N 2.87Å; D729-E731 PolarHBondContact OD1-N 3.13Å; D729-L732 HydrophobicContact CB-CB 4.14Å; D729-L732 HydrophobicContact CB-CD1 4.26Å; D729-L732 WeakPolarHBondContact O-CB 3.41Å; D729-L732 PolarHBondContact O-N 2.61Å; D729-L732 WeakPolarHBondContact OD2-CD1 3.32Å
730P46.1Very low41.4Very low115 Ų11594.8 Ų94.875%0.74747%0.467SS*.THydrogen-bonded Turntrans-64.2-16.9178.1-2536000115.5
731E41.7Very low40.1Very low169 Ų169101.1 Ų101.179%0.7949%0.488SS*.THydrogen-bonded Turntrans-93.6-1179.9-60.2-159.616900113.2D729 Q733D729-E731 PolarHBondContact O-N 2.87Å; D729-E731 PolarHBondContact OD1-N 3.13Å; E731-Q733 PolarHBondContact O-N 3.34Å
732L42.3Very low39Very low75 Ų75103.4 Ų103.439%0.39350%0.504SS..  trans-64.297.6-170.7-15784.9000113.6A725 D729 Y734A725-L732 HydrophobicContact CB-CD2 3.59Å; D729-L732 HydrophobicContact CB-CB 4.14Å; D729-L732 HydrophobicContact CB-CD1 4.26Å; D729-L732 WeakPolarHBondContact O-CB 3.41Å; D729-L732 PolarHBondContact O-N 2.61Å; D729-L732 WeakPolarHBondContact OD2-CD1 3.32Å; L732-Y734 HydrophobicContact CD2-CE2 3.86Å; L732-Y734 PolarHBondContact O-N 2.84Å; L732-Y734 VanDerWaalsContact O-N 3.12Å
733Q42.8Very low37.6Very low127 Ų127109.1 Ų109.159%0.59353%0.529SS*.  trans-72.5102.6178.8-67.2-172.44.200112.5E731 G735E731-Q733 PolarHBondContact O-N 3.34Å; Q733-G735 PolarHBondContact O-N 2.94Å
734Y38Very low36.4Very low79 Ų79112.2 Ų112.231%0.3155%0.546SS..  trans-63114177.7-94.5-93.1000113.8Y718 M721 K722 A725 T726 L732Y718-Y734 HydrophobicContact CE2-CD1 4.11Å; Y718-Y734 HydrophobicContact CE2-CE1 4.38Å; M721-Y734 PolarHBondContact O-OH 3.26Å; K722-Y734 WeakPolarHBondContact CA-OH 3.34Å; K722-Y734 HydrophobicContact CB-CE1 4.46Å; K722-Y734 HydrophobicContact CB-CE2 4.33Å; K722-Y734 HydrophobicContact CG-CD2 4.15Å; K722-Y734 HydrophobicContact CG-CE2 3.89Å; A725-Y734 HydrophobicContact CB-CE2 4.38Å; A725-Y734 WeakPolarHBondContact CB-OH 3.42Å; T726-Y734 HydrophobicContact CG2-CD2 4.47Å; T726-Y734 HydrophobicContact CG2-CE2 4.15Å; L732-Y734 HydrophobicContact CD2-CE2 3.86Å; L732-Y734 PolarHBondContact O-N 2.84Å; L732-Y734 VanDerWaalsContact O-N 3.12Å
735G33.4Very low35.4Very low23 Ų23118 Ų11824%0.23756%0.564CS.*  trans-78.7175.116500000113.2Q733 M737Q733-G735 PolarHBondContact O-N 2.94Å; G735-M737 PolarHBondContact O-N 2.9Å
736K29.6Very low34.7Very low102 Ų102123.4 Ų123.444%0.44359%0.594SS.*  trans-67.697.9177.2-64.8-179.3-172.4169.50110.6E704 Y738 N816E704-K736 IonicContact OE1-NZ 3.62Å; E704-K736 PolarHBondContact OE1-NZ 2.86Å; E704-K736 IonicContact OE2-NZ 3.61Å; E704-K736 PolarHBondContact OE2-NZ 2.86Å; K736-Y738 HydrophobicContact CB-CD2 3.99Å; K736-Y738 HydrophobicContact CB-CE2 3.51Å; K736-Y738 HydrophobicContact CD-CE2 3.85Å; K736-Y738 VanDerWaalsContact CD-OH 3.32Å; K736-Y738 WeakPolarHBondContact CD-OH 3.43Å; K736-Y738 HydrophobicContact CG-CE2 4.35Å; K736-Y738 WeakPolarHBondContact O-CD2 3.46Å; K736-Y738 PolarHBondContact O-N 3Å; K736-Y738 VanDerWaalsContact O-N 3.08Å; K736-N816 PolarHBondContact O-OD1 2.9Å
737M27.4Very low33.6Very low54 Ų54129.3 Ų129.327%0.26662%0.616SS.*  trans-74.898.1175.9-162.5178.291.100111.3Y718 M721 G735 I739Y718-M737 HydrophobicContact CD2-CB 4.45Å; Y718-M737 HydrophobicContact CD2-CE 4.2Å; Y718-M737 HydrophobicContact CE2-CB 4.35Å; M721-M737 HydrophobicContact SD-CE 4.33Å; G735-M737 PolarHBondContact O-N 2.9Å; M737-I739 HydrophobicContact CE-CD1 4.1Å; M737-I739 HydrophobicContact CE-CG1 4.12Å; M737-I739 PolarHBondContact O-N 3.31Å
738Y26.1Very low32.8Very low166 Ų166128.9 Ų128.965%0.65162%0.621SS**  trans-83.9103.6179.2-73.9-87.8000112.3K736 K740K736-Y738 HydrophobicContact CB-CD2 3.99Å; K736-Y738 HydrophobicContact CB-CE2 3.51Å; K736-Y738 HydrophobicContact CD-CE2 3.85Å; K736-Y738 VanDerWaalsContact CD-OH 3.32Å; K736-Y738 WeakPolarHBondContact CD-OH 3.43Å; K736-Y738 HydrophobicContact CG-CE2 4.35Å; K736-Y738 WeakPolarHBondContact O-CD2 3.46Å; K736-Y738 PolarHBondContact O-N 3Å; K736-Y738 VanDerWaalsContact O-N 3.08Å; Y738-K740 PolarHBondContact O-N 3.28Å; Y738-K740 VanDerWaalsContact O-N 3.08Å
739I27.5Very low32.1Very low84 Ų84131.5 Ų131.543%0.43163%0.628SS.*  trans-78.190.4167.8-55.7177.6000108.9M737 W741M737-I739 HydrophobicContact CE-CD1 4.1Å; M737-I739 HydrophobicContact CE-CG1 4.12Å; M737-I739 PolarHBondContact O-N 3.31Å; I739-W741 HydrophobicContact CG2-CZ2 4.48Å; I739-W741 PolarHBondContact O-N 3.42Å
740K25.4Very low31.7Very low183 Ų183135.9 Ų135.980%0.79665%0.651SS**  trans-80.991.7174.8-172.9-178.5-179.5-178.20110.2Y738 V742Y738-K740 PolarHBondContact O-N 3.28Å; Y738-K740 VanDerWaalsContact O-N 3.08Å; K740-V742 PolarHBondContact O-N 2.9Å
741W27.9Very low30.8Very low208 Ų208140.8 Ų140.879%0.78866%0.655SS**  trans-59.8108.4167.2-67.296.5000110I739 K743I739-W741 HydrophobicContact CG2-CZ2 4.48Å; I739-W741 PolarHBondContact O-N 3.42Å; W741-K743 PolarHBondContact O-N 3.48Å
742V26.2Very low30.1Very low97 Ų97137.8 Ų137.859%0.58865%0.65SS**  trans-73.1107.2171.2-176.50000107.3K740 D744K740-V742 PolarHBondContact O-N 2.9Å; V742-D744 HydrophobicContact CG1-CB 4.38Å; V742-D744 PolarHBondContact O-N 3.18Å
743K27Very low29.5Very low203 Ų203141.1 Ų141.188%0.88366%0.663SS**  trans-71.271.1163.2-81.2-167.9173.6-174.30108.9W741 K745W741-K743 PolarHBondContact O-N 3.48Å; K743-K745 PolarHBondContact O-N 3.44Å
744D27.6Very low28.7Very low129 Ų129146.2 Ų146.269%0.6968%0.677SS**  trans-61.2130.6165.7-89.3-38.6000108.3V742 V746V742-D744 HydrophobicContact CG1-CB 4.38Å; V742-D744 PolarHBondContact O-N 3.18Å; D744-V746 PolarHBondContact O-N 3.37Å
745K30.4Very low28.3Very low201 Ų201151.5 Ų151.587%0.87470%0.696SS**  trans-67.1100177.6-70.1-176.3178.1-177.80107.7K743 K747K743-K745 PolarHBondContact O-N 3.44Å; K745-K747 PolarHBondContact O-N 3.04Å
746V30.1Very low28.1Very low137 Ų137157.1 Ų157.183%0.8371%0.712SS**  trans-57.6100174.6-179.50000108.1D744D744-V746 PolarHBondContact O-N 3.37Å
747K29.1Very low28Very low177 Ų177164.5 Ų164.577%0.7774%0.737SS**  trans-59142.2165.5-72-176.8175.5-178.90107.4K745 M749K745-K747 PolarHBondContact O-N 3.04Å; K747-M749 VanDerWaalsContact C-N 3.28Å; K747-M749 PolarHBondContact O-N 2.91Å
748H29.5Very low28.2Very low198 Ų198164.2 Ų164.292%0.91775%0.747SS**  trans-61.493.7167.1-75-96.2000109.1
749M27.4Very low28.5Very low170 Ų170162 Ų16284%0.83776%0.763SS**PPolyproline II helixtrans-100132163.9-79-161.914300108.4K747 R751K747-M749 VanDerWaalsContact C-N 3.28Å; K747-M749 PolarHBondContact O-N 2.91Å; M749-R751 PolarHBondContact O-N 2.83Å
750N30.6Very low28.9Very low156 Ų156164.3 Ų164.383%0.83477%0.77SS**PPolyproline II helixtrans-58.1137.3-178.5-66.5-18.2000110.4
751R27Very low29.5Very low219 Ų219161.4 Ų161.483%0.82677%0.77SS**PPolyproline II helixtrans-51.6125.3176.4-170.1-175.1-162.4-179.55.7109.3M749 E753M749-R751 PolarHBondContact O-N 2.83Å; R751-E753 PolarHBondContact O-N 3.18Å
752P27.7Very low30.1Very low106 Ų106156.9 Ų156.969%0.68876%0.76SS**PPolyproline II helixtrans-58139.8179.1-26.334.8000112.1W754P752-W754 PolarHBondContact O-N 2.9Å
753E28.6Very low30.6Very low144 Ų144156 Ų15667%0.67376%0.757SS**PPolyproline II helixtrans-59.7131.3166.7-77.7-169.8141.900110.3R751 R755R751-E753 PolarHBondContact O-N 3.18Å; E753-R755 HydrophobicContact CB-CG 4.3Å; E753-R755 PolarHBondContact O-N 2.87Å; E753-R755 IonicContact OE2-CZ 3.28Å; E753-R755 VanDerWaalsContact OE2-CZ 3.28Å; E753-R755 IonicContact OE2-NE 2.9Å; E753-R755 PolarHBondContact OE2-NE 2.96Å; E753-R755 IonicContact OE2-NH2 2.77Å; E753-R755 PolarHBondContact OE2-NH2 2.95Å
754W26.4Very low31.2Very low234 Ų234153.6 Ų153.689%0.88675%0.748SS**  trans-76.188.3169.8-74.678.7000110P752 Y756P752-W754 PolarHBondContact O-N 2.9Å; W754-Y756 PolarHBondContact O-N 3.31Å
755R29.8Very low31.6Very low190 Ų190156.6 Ų156.672%0.71776%0.763SS**  trans-85.1105.8172-66.7-169.8178.5-152.6-4.4110.3E753E753-R755 HydrophobicContact CB-CG 4.3Å; E753-R755 PolarHBondContact O-N 2.87Å; E753-R755 IonicContact OE2-CZ 3.28Å; E753-R755 VanDerWaalsContact OE2-CZ 3.28Å; E753-R755 IonicContact OE2-NE 2.9Å; E753-R755 PolarHBondContact OE2-NE 2.96Å; E753-R755 IonicContact OE2-NH2 2.77Å; E753-R755 PolarHBondContact OE2-NH2 2.95Å
756Y28.9Very low31.9Very low142 Ų142152.7 Ų152.756%0.55776%0.757SS**  trans-72.8126.7-179.9-160.1-104.2000110.9W754 G758 I762W754-Y756 PolarHBondContact O-N 3.31Å; Y756-G758 PolarHBondContact O-N 2.93Å; Y756-I762 HydrophobicContact CD1-CG1 4.18Å; Y756-I762 HydrophobicContact CD2-CD1 4.02Å; Y756-I762 HydrophobicContact CD2-CG1 3.85Å; Y756-I762 HydrophobicContact CE1-CG1 4.37Å; Y756-I762 HydrophobicContact CE2-CG1 4.06Å; Y756-I762 HydrophobicContact CG-CD1 4.21Å; Y756-I762 HydrophobicContact CG-CG1 3.91Å
757W27.1Very low32.1Very low257 Ų257148.4 Ų148.497%0.97374%0.735SS**  trans-96.684.5174.9-78.671.8000109.8
758G32.2Very low32.3Very low47 Ų47145 Ų14549%0.48573%0.731SS.*SBendtrans-177.3139176.400000112.3Y756 K760Y756-G758 PolarHBondContact O-N 2.93Å; G758-K760 PolarHBondContact O-N 2.91Å; G758-K760 VanDerWaalsContact O-N 3.15Å
759A32.8Very low32.6Very low119 Ų119140.8 Ų140.898%0.98372%0.722SS**SBendtrans-8324.5-174.900000114.6
760K35.6Very low32.9Very low133 Ų133138.2 Ų138.258%0.57872%0.716SS**SBendtrans-127.9142.5173.6-71.1178.4179.2172.20107.9G758 E772G758-K760 PolarHBondContact O-N 2.91Å; G758-K760 VanDerWaalsContact O-N 3.15Å; K760-E772 IonicContact NZ-OE1 2.62Å; K760-E772 PolarHBondContact NZ-OE1 3.26Å; K760-E772 IonicContact NZ-OE2 2.8Å
761P38.7Very low33Very low122 Ų122140 Ų14079%0.79272%0.716SS**PPolyproline II helixtrans-60.7150.5175.227-34.8000111.1P763P761-P763 WeakPolarHBondContact O-CD 3.42Å
762I38.5Very low33.2Very low113 Ų113135.9 Ų135.958%0.57971%0.706SS**PPolyproline II helixtrans-60.5122.2-179.9-58.1175.7000108.9Y756 Q764Y756-I762 HydrophobicContact CD1-CG1 4.18Å; Y756-I762 HydrophobicContact CD2-CD1 4.02Å; Y756-I762 HydrophobicContact CD2-CG1 3.85Å; Y756-I762 HydrophobicContact CE1-CG1 4.37Å; Y756-I762 HydrophobicContact CE2-CG1 4.06Å; Y756-I762 HydrophobicContact CG-CD1 4.21Å; Y756-I762 HydrophobicContact CG-CG1 3.91Å; I762-Q764 PolarHBondContact O-N 2.89Å
763P38.5Very low33.5Very low79 Ų79136 Ų13651%0.51371%0.708SS.*PPolyproline II helixtrans-59134.3173.2-22.733.8000110.4P761 A767P761-P763 WeakPolarHBondContact O-CD 3.42Å; P763-A767 HydrophobicContact CB-CB 3.95Å
764Q38.4Very low33.5Very low152 Ų152139.3 Ų139.371%0.7172%0.72SS**PPolyproline II helixtrans-61.6155.5174.4-66.8-172.7-4.400110.4I762 T766 A767I762-Q764 PolarHBondContact O-N 2.89Å; Q764-T766 PolarHBondContact O-N 3.23Å; Q764-A767 VanDerWaalsContact O-CB 3.29Å; Q764-A767 WeakPolarHBondContact O-CB 3.4Å; Q764-A767 PolarHBondContact O-N 3.46Å
765L35.4Very low33.7Very low192 Ų192136.8 Ų136.8100%1.00572%0.715SS**THydrogen-bonded Turntrans-60.7-14-179.3-12876.4000114
766T37.1Very low33.6Very low120 Ų120135.4 Ų135.474%0.73672%0.722SS**THydrogen-bonded Turntrans-90.7-9.9175.947.20000113.8Q764Q764-T766 PolarHBondContact O-N 3.23Å
767A35.8Very low33.7Very low46 Ų46134.9 Ų134.938%0.3873%0.734SS.*SBendtrans-73.8132.8177.500000110.3P763 Q764P763-A767 HydrophobicContact CB-CB 3.95Å; Q764-A767 VanDerWaalsContact O-CB 3.29Å; Q764-A767 WeakPolarHBondContact O-CB 3.4Å; Q764-A767 PolarHBondContact O-N 3.46Å
768P32.9Very low33.7Very low105 Ų105129.5 Ų129.568%0.68273%0.73SS**  trans-63.8143.217627.2-34.2000110.2T770P768-T770 PolarHBondContact O-N 2.8Å
769P35.2Very low33.6Very low110 Ų110131 Ų13171%0.71474%0.737SS**  trans-68.198.4-176.927.2-34.8000111.3F771P769-F771 PolarHBondContact O-N 2.79Å
770T34Very low33.4Very low117 Ų117137.6 Ų137.672%0.71874%0.737SS**  trans-67.192.7170.245.40000110.1P768 E772P768-T770 PolarHBondContact O-N 2.8Å; T770-E772 PolarHBondContact O-N 2.95Å
771F32.6Very low32.9Very low192 Ų192136.1 Ų136.184%0.84274%0.743SS**  trans-6879.9162.1-88.2-96.3000109.5P769 P773P769-F771 PolarHBondContact O-N 2.79Å; F771-P773 WeakPolarHBondContact O-CD 3.19Å
772E30.8Very low32.2Very low133 Ų133142 Ų14262%0.62175%0.75SS**  trans-64.4119.1154.4-74.8-179.4-172.100106.6K760 T770 F774K760-E772 IonicContact NZ-OE1 2.62Å; K760-E772 PolarHBondContact NZ-OE1 3.26Å; K760-E772 IonicContact NZ-OE2 2.8Å; T770-E772 PolarHBondContact O-N 2.95Å; E772-F774 PolarHBondContact O-N 3.37Å
773P33.9Very low31.8Very low110 Ų110142.8 Ų142.871%0.71477%0.765SS**  trans-70.2129.4-179.628-33.3000109.8F771 K775F771-P773 WeakPolarHBondContact O-CD 3.19Å; P773-K775 PolarHBondContact O-N 3.02Å
774F29.3Very low31.4Very low212 Ų212142.3 Ų142.393%0.9378%0.775SS**  trans-60.1111.5172-102.1-95.4000109.4E772E772-F774 PolarHBondContact O-N 3.37Å
775K30.2Very low30.7Very low181 Ų181146.5 Ų146.579%0.78778%0.784SS**  trans-81140.3166.3-70-178.6175-179.30108.8P773 T777P773-K775 PolarHBondContact O-N 3.02Å; K775-T777 PolarHBondContact O-N 2.62Å; K775-T777 VanDerWaalsContact O-N 3.07Å
776D28.7Very low30.4Very low161 Ų161145.6 Ų145.686%0.86178%0.779SS**  trans-61.3109.2168.7-73.7-50.6000110.6T778D776-T778 PolarHBondContact O-N 3.42Å
777T29.6Very low29.8Very low132 Ų132149.1 Ų149.181%0.8178%0.784SS**  trans-8598.2169.415.40000109.5K775 A779K775-T777 PolarHBondContact O-N 2.62Å; K775-T777 VanDerWaalsContact O-N 3.07Å; T777-A779 PolarHBondContact O-N 3.36Å
778T27.1Very low29.4Very low144 Ų144153.4 Ų153.488%0.88381%0.806SS**  trans-63.796-179.939.70000112.3D776D776-T778 PolarHBondContact O-N 3.42Å
779A30.5Very low29Very low77 Ų77155.5 Ų155.564%0.63682%0.817SS**  trans-134.9113.9-178.400000113.4T777T777-A779 PolarHBondContact O-N 3.36Å
780W28.5Very low28.6Very low258 Ų258153.5 Ų153.598%0.97782%0.816SS**  trans78.7146.6159.4-64.845.5000116.9
781S25Very low28.3Very low103 Ų103155.6 Ų155.672%0.7282%0.823SS**  trans-162.3160.5-160.171.60000113.7
782R25.1Very low28Very low245 Ų245154.3 Ų154.393%0.92582%0.823SS**  trans64132.6175.9-54.1179.5176.9-165.1-1.2113.2
783S29.7Very low27.8Very low129 Ų129156 Ų15690%0.90284%0.836SS**  cis-160.3176.837.8-170.30000111.2
784G28.9Very low27.5Very low69 Ų69161.2 Ų161.271%0.71184%0.841SS**  trans11695.9167.900000115
785R25.1Very low27.3Very low241 Ų241157.2 Ų157.291%0.90984%0.836SS**  trans-59.2134-177.1-62.3170.2175.6170.5-1.7113.9
786L27.8Very low27.1Very low173 Ų173155.9 Ų155.991%0.90683%0.833SS**  trans-134.1139.7139-98.9167000108.3
787K24.7Very low26.9Very low194 Ų194154.7 Ų154.784%0.84383%0.825SS**  trans-115.593.3-176-81.8-170.3173.9-173.50111
788T28.4Very low26.7Very low136 Ų136155.4 Ų155.483%0.83482%0.819SS**  trans-145.8129.6159.638.60000110.3
789T24.4Very low26.6Very low148 Ų148156.6 Ų156.691%0.90881%0.812SS**  trans-50.1131-179.346.60000115.2
790G26.7Very low26.3Very low68 Ų68157.7 Ų157.770%0.70182%0.815SS**  trans171.8155.3165.600000112.9
791N26.7Very low26.2Very low161 Ų161155 Ų15586%0.86181%0.811SS**  trans-174.774.3153.4-102.7-7.9000111.2
792I27.7Very low26.2Very low165 Ų165156.1 Ų156.185%0.84681%0.813SS**  trans-130.3115.9156.4-61.4179.8000105.7R794I792-R794 PolarHBondContact O-N 3.4Å
793L26.8Very low26.2Very low170 Ų170149.1 Ų149.189%0.8980%0.801SS**  trans-74.2119.6-172.4-74.4163.8000111.3
794R25.7Very low26Very low219 Ų219148.4 Ų148.483%0.82679%0.794SS**  trans-108.1151161.2-80.8-178.6166.6-180-5.1109I792 E796I792-R794 PolarHBondContact O-N 3.4Å; R794-E796 PolarHBondContact O-N 3.4Å
795P26.6Very low25.9Very low127 Ų127152.1 Ų152.183%0.82580%0.797SS**  trans-66.5120.5168.128.3-32.9000109.6
796E25.6Very low26Very low153 Ų153145.3 Ų145.372%0.71578%0.784SS**  trans-80121.1-179.7-65.2-164.8164.600111.7R794 H798R794-E796 PolarHBondContact O-N 3.4Å; E796-H798 IonicContact OE2-CE1 3.13Å; E796-H798 PolarHBondContact OE2-CE1 2.97Å; E796-H798 IonicContact OE2-ND1 3.45Å
797I25.3Very low26Very low136 Ų136146.6 Ų146.670%0.69778%0.782SS**  trans-88.2102.7163.4-60.3176.4000107F799I797-F799 HydrophobicContact CB-CE2 4.08Å; I797-F799 HydrophobicContact CG2-CD2 4.2Å; I797-F799 HydrophobicContact CG2-CE1 4.48Å; I797-F799 HydrophobicContact CG2-CE2 3.71Å; I797-F799 HydrophobicContact CG2-CZ 3.88Å; I797-F799 VanDerWaalsContact O-CD2 3.27Å; I797-F799 WeakPolarHBondContact O-CD2 3.23Å; I797-F799 PolarHBondContact O-N 3.22Å
798H24.6Very low26.1Very low147 Ų147142.3 Ų142.368%0.68178%0.777SS**  trans-71.899179.8-69-53.3000112.1E796 S800E796-H798 IonicContact OE2-CE1 3.13Å; E796-H798 PolarHBondContact OE2-CE1 2.97Å; E796-H798 IonicContact OE2-ND1 3.45Å; H798-S800 PolarHBondContact O-N 3.47Å; H798-S800 VanDerWaalsContact O-N 3.12Å
799F25.4Very low25.9Very low169 Ų169141.4 Ų141.474%0.74177%0.771SS**  trans-78.385.5168.8-68.1-83.6000111.2I797 K801I797-F799 HydrophobicContact CB-CE2 4.08Å; I797-F799 HydrophobicContact CG2-CD2 4.2Å; I797-F799 HydrophobicContact CG2-CE1 4.48Å; I797-F799 HydrophobicContact CG2-CE2 3.71Å; I797-F799 HydrophobicContact CG2-CZ 3.88Å; I797-F799 VanDerWaalsContact O-CD2 3.27Å; I797-F799 WeakPolarHBondContact O-CD2 3.23Å; I797-F799 PolarHBondContact O-N 3.22Å; F799-K801 PolarHBondContact O-N 3.39Å; F799-K801 VanDerWaalsContact O-N 3.13Å
800S23.9Very low26Very low100 Ų100140.5 Ų140.570%0.69976%0.761SS**  trans-71102.9176-68.80000112.1H798 V802H798-S800 PolarHBondContact O-N 3.47Å; H798-S800 VanDerWaalsContact O-N 3.12Å; S800-V802 VanDerWaalsContact C-N 3.32Å; S800-V802 PolarHBondContact O-N 3.15Å
801K25.3Very low26Very low203 Ų203145 Ų14588%0.88376%0.763SS**  trans-69.984.3170.1-174.6-177.2178178.70110.5F799 S803F799-K801 PolarHBondContact O-N 3.39Å; F799-K801 VanDerWaalsContact O-N 3.13Å; K801-S803 PolarHBondContact O-N 3.46Å
802V26.6Very low25.8Very low126 Ų126147.7 Ų147.776%0.76476%0.763SS**  trans-70.2109.5172.9-177.50000109.1S800 P804S800-V802 VanDerWaalsContact C-N 3.32Å; S800-V802 PolarHBondContact O-N 3.15Å; V802-P804 WeakPolarHBondContact O-CD 3.24Å
803S23.9Very low25.6Very low97 Ų97145.8 Ų145.868%0.67875%0.754SS**  trans-70.7121.3173.9-174.70000110.4K801K801-S803 PolarHBondContact O-N 3.46Å
804P25.6Very low25.6Very low115 Ų115143.5 Ų143.575%0.74775%0.753SS**  trans-84.412517532.8-30.9000110.3V802V802-P804 WeakPolarHBondContact O-CD 3.24Å
805N26.8Very low25.5Very low147 Ų147139.9 Ų139.979%0.78674%0.739SS**  trans-159.9153.3173.3-132.518.4000110.8
806P28.6Very low25.5Very low97 Ų97139 Ų13963%0.6373%0.727SS**  -137.5139.3-65.234.9-21.1000113.8
807K26.2Very low25.6Very low201 Ų201137 Ų13787%0.87473%0.725SS**SBendtrans-150.2143.6153.1-68.3-159.9176.7-171.40110
808S27.7Very low25.6Very low104 Ų104133.7 Ų133.773%0.72773%0.725SS**  trans46.695.3-174.853.50000114.2
809T24.6Very low25.7Very low117 Ų117131.9 Ų131.972%0.71872%0.719SS**  59.5135.778.274.90000114.2
810D25.5Very low25.7Very low128 Ų128135.1 Ų135.168%0.68473%0.727SS**  trans77.9113.9161.6-45.8-48.9000119.8
811H26.4Very low25.8Very low163 Ų163137.1 Ų137.176%0.75573%0.729SS**  trans71.198.6154.3-52-38.6000121.4
812Y22.9Very low25.7Very low218 Ų218135.5 Ų135.586%0.85573%0.727SS**  52.3134.6128.7-68.9-77.6000122.7
813N23.5Very low25.6Very low124 Ų124134 Ų13466%0.66371%0.714SS**  trans84.148.4146.3-155.912.9000119.1R815N813-R815 PolarHBondContact O-N 3.5Å; N813-R815 VanDerWaalsContact O-N 3.13Å
814S27.4Very low25.8Very low123 Ų123134.4 Ų134.486%0.8672%0.718SS**  trans-83.172.6174.2-510000114.1N816S814-N816 PolarHBondContact O-N 3.33Å
815R24.2Very low26.1Very low143 Ų143133.1 Ų133.154%0.5471%0.711SS.*  trans-74.221.6-176.3-121.5176.1-178.6143.6-7.3116.3N813N813-R815 PolarHBondContact O-N 3.5Å; N813-R815 VanDerWaalsContact O-N 3.13Å
816N26.6Very low26.3Very low108 Ų108132.1 Ų132.158%0.57871%0.705SS**  trans-127.2115.2-168.3-65.9-21.8000112.4K736 S814K736-N816 PolarHBondContact O-OD1 2.9Å; S814-N816 PolarHBondContact O-N 3.33Å
817V26.6Very low26.4Very low110 Ų110132.3 Ų132.367%0.66771%0.709SS**  trans-90.1123.3164.51790000108.7L819V817-L819 HydrophobicContact CG1-CD1 4.08Å; V817-L819 HydrophobicContact CG1-CG 4.46Å
818G25.6Very low26.5Very low67 Ų67130 Ų13069%0.69171%0.706SS**  trans-100.7121.3173.600000111
819L26.1Very low26.5Very low109 Ų109134.6 Ų134.657%0.57171%0.713SS**  trans-106.7127.8177.3-86.4133.6000111.2M721 V817M721-L819 HydrophobicContact CE-CB 4.21Å; M721-L819 HydrophobicContact CE-CD1 3.87Å; M721-L819 HydrophobicContact CE-CD2 4.16Å; M721-L819 HydrophobicContact CE-CG 4.29Å; M721-L819 HydrophobicContact SD-CD1 3.76Å; V817-L819 HydrophobicContact CG1-CD1 4.08Å; V817-L819 HydrophobicContact CG1-CG 4.46Å
820W25.3Very low26.7Very low237 Ų237132.3 Ų132.390%0.89871%0.713SS**  trans-103.3111.9173.3-69.274.3000108.3M822W820-M822 PolarHBondContact O-N 2.77Å; W820-M822 VanDerWaalsContact O-N 3.16Å
821L26.6Very low26.7Very low143 Ų143133.5 Ų133.575%0.74972%0.717SS**  trans-74.4101.8166.3-72.1172.7000107.8I717 D823I717-L821 HydrophobicContact CD1-CD1 4.36Å; L821-D823 PolarHBondContact O-N 3.44Å
822M23.4Very low26.6Very low169 Ų169134.3 Ų134.383%0.83373%0.726SS**  trans-74.5123174.5-156.1174.2-156.300108.6W820 S824W820-M822 PolarHBondContact O-N 2.77Å; W820-M822 VanDerWaalsContact O-N 3.16Å; M822-S824 PolarHBondContact O-N 3.38Å
823D24.6Very low26.8Very low93 Ų93133 Ų13350%0.49773%0.725SS.*  trans-64.1121.6172178.45.9000109.1L821 S825 L826L821-D823 PolarHBondContact O-N 3.44Å; D823-S825 PolarHBondContact O-N 3.43Å; D823-S825 VanDerWaalsContact O-N 3.11Å; D823-S825 WeakPolarHBondContact OD1-CB 3.38Å; D823-S825 PolarHBondContact OD1-N 3.42Å; D823-S825 PolarHBondContact OD1-OG 2.88Å; D823-S825 WeakPolarHBondContact OD2-CB 3.29Å; D823-S825 PolarHBondContact OD2-OG 2.97Å; D823-L826 HydrophobicContact CB-CD1 4.4Å; D823-L826 PolarHBondContact O-N 3.23Å; D823-L826 VanDerWaalsContact O-N 3.12Å
824S28.6Very low26.9Very low107 Ų107136 Ų13675%0.74873%0.732SS**G310 helixtrans-66.4-7.6179.645.60000113.4M822 L826M822-S824 PolarHBondContact O-N 3.38Å; S824-L826 VanDerWaalsContact C-N 3.26Å; S824-L826 PolarHBondContact O-N 3.01Å
825S32.1Very low26.8Very low88 Ų88137.6 Ų137.662%0.61573%0.726SS**G310 helixtrans-66.8-20168.2830000114.4D823D823-S825 PolarHBondContact O-N 3.43Å; D823-S825 VanDerWaalsContact O-N 3.11Å; D823-S825 WeakPolarHBondContact OD1-CB 3.38Å; D823-S825 PolarHBondContact OD1-N 3.42Å; D823-S825 PolarHBondContact OD1-OG 2.88Å; D823-S825 WeakPolarHBondContact OD2-CB 3.29Å; D823-S825 PolarHBondContact OD2-OG 2.97Å
826L30.7Very low26.7Very low125 Ų125142.2 Ų142.265%0.65475%0.745SS**G310 helixtrans-95.9-4.7-169.2-76.2166.8000115.7D823 S824 N828D823-L826 HydrophobicContact CB-CD1 4.4Å; D823-L826 PolarHBondContact O-N 3.23Å; D823-L826 VanDerWaalsContact O-N 3.12Å; S824-L826 VanDerWaalsContact C-N 3.26Å; S824-L826 PolarHBondContact O-N 3.01Å; L826-N828 PolarHBondContact O-N 2.98Å; L826-N828 VanDerWaalsContact O-N 3.13Å
827S29.5Very low26.7Very low102 Ų102141.3 Ų141.371%0.71375%0.747SS**THydrogen-bonded Turntrans-73.9-1.9-170.160.60000115.8
828N28.4Very low26.7Very low152 Ų152141.1 Ų141.181%0.81375%0.751SS**THydrogen-bonded Turntrans-13440.3-166.4-128-16.7000115.9L826L826-N828 PolarHBondContact O-N 2.98Å; L826-N828 VanDerWaalsContact O-N 3.13Å
829K29.2Very low26.5Very low201 Ų201143.7 Ų143.787%0.87476%0.757SS**  trans-136.2112.9153.6-75.3-168.9179.3177.10110.6
830G26.9Very low26.6Very low69 Ų69143.4 Ų143.471%0.71176%0.764SS**  trans-79-173.4173.800000113.6
831I25.6Very low26.7Very low152 Ų152136.9 Ų136.978%0.77976%0.755SS**  trans70.782.8173.5-40.9173000114.8
832L25.2Very low26.6Very low180 Ų180137.8 Ų137.894%0.94276%0.759SS**  -121.9150124-87179000109.4
833K26.8Very low26.7Very low190 Ų190135.1 Ų135.183%0.82676%0.755SS**  trans-85.7156.5-160.7-60.2176.8176175.70112.9
834K25.1Very low26.7Very low187 Ų187141.9 Ų141.981%0.81377%0.773SS**  trans-44.4147144.2-68.3177.2172.61790108.5
835Q26Very low26.7Very low157 Ų157144.8 Ų144.873%0.73478%0.78SS**  179.5149.455.4-145152.1-32.100109
836Y22.6Very low26.4Very low241 Ų241146.5 Ų146.595%0.94578%0.782SS**  trans-132.293.6167.3-94.8-79000109.5
837S26.2Very low26.5Very low88 Ų88147.2 Ų147.262%0.61579%0.786SS**  trans174.9116.9164.6440000107.1
838S25.8Very low26.6Very low106 Ų106148.2 Ų148.274%0.74178%0.783SS**  8392.857.275.90000114.3
839C23.1Very low26.7Very low121 Ų121146.6 Ų146.682%0.81878%0.779SS**  trans68.1153.2153.6-60.40000121.8
840S27.7Very low26.8Very low104 Ų104143.4 Ų143.473%0.72777%0.772SS**  trans60.288153.947.30000121.2
841S26.7Very low27Very low100 Ų100146.5 Ų146.570%0.69978%0.776SS**  61.7129.3114.664.30000124
842L24Very low27.2Very low162 Ų162142.6 Ų142.685%0.84877%0.774SS**  trans77.7164.4145.9-62.9166.4000117
843P26.9Very low27.4Very low113 Ų113138.2 Ų138.273%0.73477%0.772SS**  -136.8-172.3-88.837.3-14.9000116.9
844R24.5Very low27.5Very low235 Ų235134 Ų13489%0.88777%0.773SS**  trans-42.4142.3179.7-56.7169.4174.1175.7-4.2118
845L27.1Very low27.7Very low168 Ų168130.5 Ų130.588%0.8877%0.772SS**  trans-157129.7137-87.5126.5000105.9
846N26.4Very low27.8Very low123 Ų123127.5 Ų127.566%0.65877%0.769SS**  cis85.395.415-149.476000116.8
847N33.1Very low28.1Very low140 Ų140120.7 Ų120.775%0.74976%0.756SS**  trans-157.5128.6152.4-88.1-34.5000105.8
848N30.7Very low28.3Very low123 Ų123125 Ų12566%0.65876%0.764SS**  61.512461.2-60.5-13000109.6
849T31.3Very low28.4Very low118 Ų118126.8 Ų126.872%0.72477%0.765SS**  cis-168.7173.53437.50000108.4
850N31Very low28.7Very low135 Ų135128.7 Ų128.772%0.72277%0.765SS**  cis-165.4171.3-14.4-105.1-2.5000109.8
851V31.5Very low28.7Very low133 Ų133129.9 Ų129.981%0.80676%0.763SS**  trans25136139.6-174.60000118.8
852G29.8Very low28.7Very low71 Ų71135 Ų13573%0.73277%0.767SS**  cis123.3170.212.300000111.9
853G30.1Very low28.8Very low88 Ų88134.2 Ų134.291%0.90776%0.764SS**  trans96.8158.5179.600000114.5
854A27.8Very low28.9Very low101 Ų101134.4 Ų134.484%0.83576%0.764SS**  trans-133142.4-17500000111.6
855S28.9Very low28.9Very low113 Ų113130.9 Ų130.979%0.7976%0.759SS**  trans-174.4154.2150.847.40000113.2
856S29Very low29Very low95 Ų95129.1 Ų129.166%0.66475%0.75SS**  trans43.1107.5146.461.20000121.8
857S28.6Very low29.1Very low98 Ų98127.4 Ų127.469%0.68575%0.748SS**  73.8141.7117.678.60000122.6
858K30.8Very low28.9Very low179 Ų179127.4 Ų127.478%0.77875%0.747SS**  trans64.7110.2146.6-69.4171.3177.9-179.20119.5
859D27Very low28.7Very low142 Ų142131.5 Ų131.576%0.75975%0.753SS**  56.7173.7120.1-52-51.1000120.8
860I30.4Very low28.5Very low161 Ų161133 Ų13383%0.82676%0.756SS**  trans68.599.1179-47.3169.3000112.3
861N27.7Very low28.2Very low129 Ų129130.9 Ų130.969%0.6975%0.752SS**  cis77.5117.927.8-154.58.8000115.6
862R26.5Very low27.9Very low207 Ų207132.6 Ų132.678%0.78175%0.754SS**  trans74.1135.9164.7-79.6167.3179.6171.3-0.8121.3
863N26.5Very low27.8Very low147 Ų147135.4 Ų135.479%0.78675%0.752SS**  trans66.9164.1155.3-51.2-10.2000115.1
864T28.8Very low27.5Very low117 Ų117140.9 Ų140.972%0.71875%0.747SS**  cis-122.1147.23.513.80000109.4
865M24.8Very low27.3Very low160 Ų160143.8 Ų143.879%0.78875%0.748SS**  74.5159.374.5-160.4166.1162.400114.2
866D28.1Very low27.3Very low131 Ų131143.8 Ų143.870%0.70175%0.748SS**  trans78.5142.7172.2-60.7-38.5000118.9
867S28Very low27.1Very low87 Ų87144.6 Ų144.661%0.60875%0.749SS**  cis-167.1-178.9-17.157.90000112
868I30Very low26.9Very low141 Ų141145.3 Ų145.372%0.72375%0.753SS**  trans71.8104155.1-71.3165.9000115.8
869R26.8Very low26.7Very low209 Ų209145.4 Ų145.479%0.78976%0.755SS**  77.6124.286.7-83.8177.2171.6176.2-3.6113.1
870N26.4Very low26.7Very low148 Ų148144.1 Ų144.179%0.79176%0.757SS**  63.4140.888.1-57.214.9000112.3
871S25.6Very low26.5Very low91 Ų91144.7 Ų144.764%0.63676%0.761SS**  cis-164.2177.215.6-1510000111.5
872M25.3Very low26.4Very low170 Ų170148.8 Ų148.884%0.83777%0.768SS**  trans66165156.3-69.8175.9-71.300118.5
873D25.9Very low26.5Very low130 Ų130145 Ų14570%0.69576%0.764SS**  cis-175-177.6-34.4-165.89.2000108.4
874Y24.7Very low26.7Very low203 Ų203145 Ų14580%0.79676%0.764SS**  trans81.6135.4161-87.1-85.1000122.7
875D24.4Very low26.7Very low161 Ų161146.2 Ų146.286%0.86176%0.761SS**  trans-71.1121.7165.2-67.1-75000113.5
876S27.3Very low26.9Very low113 Ų113145.9 Ų145.979%0.7976%0.758SS**  trans-172.5145.9153.6-132.90000107.4
877V26.5Very low26.7Very low112 Ų112146 Ų14668%0.67976%0.757SS**  cis-142.2133.725.9170.20000109.6
878C23.3Very low26.8Very low114 Ų114150.6 Ų150.677%0.7777%0.769SS**  trans-94.6155.8149-76.90000109
879H26.2Very low26.5Very low180 Ų180148.9 Ų148.983%0.83377%0.765SS**  trans79.199.8-173.4-53.9-84.9000116.7
880S27.5Very low26.6Very low115 Ų115147.5 Ų147.580%0.80477%0.772SS**  trans-159149.1133.5-830000109.1
881L26.9Very low26.6Very low174 Ų174143.2 Ų143.291%0.91176%0.763SS**  trans6653.7177.7-51-177.4000116.2
882Y25.4Very low26.8Very low214 Ų214145 Ų14584%0.83977%0.774SS**  -73.7172.9128.4-134-104.1000108.5
883D28.2Very low26.8Very low129 Ų129144.8 Ų144.869%0.6977%0.771SS**  trans63.7101.4174.9-53.1-34.4000117
884N30.1Very low27Very low146 Ų146145 Ų14578%0.78177%0.773SS**  -161122.6112.4-111.2-84.3000113.1
885H29Very low27.2Very low143 Ų143142 Ų14266%0.66277%0.766SS**  trans27.4114.7143.3-69.1-93.6000119.9
886Q29.3Very low27.3Very low152 Ų152138.9 Ų138.971%0.7175%0.753SS**  86.8118.964.4-80-168.663.300115.5
887L25Very low27.4Very low133 Ų133141.5 Ų141.570%0.69675%0.75SS**  trans41.7111.7139.3-72.1160.1000121.3
888H29.8Very low27.4Very low184 Ų184146.9 Ų146.985%0.85276%0.758SS**  trans-169117.5132.2-105.9-77.3000106.5
889T23.6Very low27.6Very low105 Ų105146.4 Ų146.464%0.64475%0.751SS**  cis76.78631.7-34.60000113.9
890L29Very low27.8Very low180 Ų180144.7 Ų144.794%0.94275%0.749SS**  trans-176.3145.1161.7-96.3164.4000106.3
891G26.6Very low27.6Very low58 Ų58148.8 Ų148.860%0.59875%0.752SS**  cis172.9154.3-7.100000109.8
892C28.1Very low27.9Very low128 Ų128146.5 Ų146.587%0.86575%0.748SS**  trans64.7121.7-176.7-53.60000114.7
893E25.2Very low28Very low167 Ų167140 Ų14078%0.7874%0.738SS**  cis64106.128.1-54.6-159.2135.200116.3
894N30.5Very low27.9Very low135 Ų135145.1 Ų145.172%0.72275%0.748SS**  161.6157121-85.8-51.2000110.5
895Q29.7Very low28Very low139 Ų139146 Ų14665%0.6575%0.751SS**  cis178.7109.7-36.2-115-161.664.500106.2
896T26.6Very low27.8Very low96 Ų96150.7 Ų150.759%0.58976%0.763SS**  trans70.3154.9145.475.40000123
897K29.4Very low28.1Very low167 Ų167148.6 Ų148.673%0.72676%0.763SS**  trans77.2123.6154-70.3151.4-164.3155.80116.4
898R26.7Very low28.5Very low226 Ų226147.9 Ų147.985%0.85376%0.764SS**  72.6137.395-68.8-168.3168.5178-5.3112.9
899T27.6Very low28.3Very low103 Ų103145.9 Ų145.963%0.63276%0.758SS**  cis-158.1-169.40.116.10000109.8
900D30.7Very low28.8Very low145 Ų145148.4 Ų148.478%0.77577%0.768SS**  trans100.6123.9145.4-53.6-56.6000120
901F23.3Very low28.9Very low201 Ų201147.1 Ų147.188%0.88276%0.761SS**  trans-87.6157.7167.2-100.6-94.8000108.9
902P31.6Very low29.3Very low126 Ų126156.4 Ų156.482%0.81879%0.789SS**  -150151.897.536.4-18.1000118.4
903A28.8Very low29.4Very low77 Ų77157.8 Ų157.864%0.63679%0.785SS**  trans1.9140.7150.300000123.8
904R25.8Very low29.6Very low236 Ų236157.3 Ų157.389%0.89179%0.785SS**  trans56.3128.2134.4-67.2179.2179.4-172.70.7120.7
905I31.2Very low29.5Very low166 Ų166158.6 Ų158.685%0.85179%0.788SS**  -147.6147122.1-96.8143.3000108.9
906R25.7Very low29.5Very low241 Ų241159.7 Ų159.791%0.90980%0.797SS**  trans-135.3148.4166.8-86.3-171.4178-177.5-0.8108.1
907P34.6Very low29.7Very low108 Ų108163.7 Ų163.770%0.70181%0.81SS**  trans-112.9132.4136.1-0.721.6000108.8
908T33.7Very low29.7Very low117 Ų117163.5 Ų163.572%0.71882%0.815SS**  49.2100.36860.80000113
909L26.4Very low29.9Very low142 Ų142159 Ų15974%0.74381%0.813SS**  66.7115.480.3-91.4164.8000114.1
910N34.8Very low30.1Very low159 Ų159163.3 Ų163.385%0.8583%0.826SS**  -161.3158.5109-93-20000110.3
911L30Very low30.1Very low153 Ų153164.8 Ų164.880%0.80183%0.831SS**  trans-85.5162.2172.4-68.890.4000110.7
912H35.1Very low30.7Very low252 Ų252161.5 Ų161.5100%1.16783%0.826SS**  trans-136.80132.1-147.5-39.6000110.3

Retrieved 912 of 912 residues in 161.5 ms (Link to these results)

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