A0A077YWM4_TRITR Loading...

60S acidic ribosomal protein P0

Ribosomal protein P0 is the functional equivalent of E.coli protein L10.

AlphaFold DB , UniProt , Accession A0A077YWM4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 316 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
1M41.8Very low74.7Confident241 Ų241131 Ų131100%1.18765%0.648SS**  0122.10-122.6167.5179.100107R3M1-R3 PolarHBondContact O-N 3.1Å
2V52.3Low76Confident134 Ų134125.6 Ų125.681%0.81262%0.623SS**  trans-48.8132.2176.3178.80000108.1E4V2-E4 PolarHBondContact O-N 3.14Å
3R55.7Low76.8Confident249 Ų249117.2 Ų117.294%0.9458%0.58SS**  trans-70.882.2179.4-158178.3-167.8174.82.8106.8M1M1-R3 PolarHBondContact O-N 3.1Å
4E72.5Confident77.6Confident97 Ų97113.1 Ų113.145%0.45356%0.557SS.*  trans-50.5146.2174.2-75.1179.4-175.200109.6V2 K6 N12V2-E4 PolarHBondContact O-N 3.14Å; E4-K6 PolarHBondContact O-N 3.02Å; E4-N12 PolarHBondContact OE2-ND2 2.75Å; E4-N12 VanDerWaalsContact OE2-ND2 3.17Å
5D85.8Confident78.3Confident125 Ų125112.5 Ų112.567%0.66856%0.557SS**  trans-52.9138.2171.5-79.2-34.6000110.4S7 T8 W9D5-S7 PolarHBondContact O-N 3.15Å; D5-T8 HydrophobicContact CB-CG2 4.36Å; D5-T8 PolarHBondContact N-OG1 3.1Å; D5-T8 PolarHBondContact O-N 3.26Å; D5-T8 PolarHBondContact O-OG1 3.19Å; D5-W9 PolarHBondContact O-N 3.3Å
6K80.4Confident79Confident154 Ų154113.2 Ų113.267%0.6756%0.555SS**Hα-helixtrans-55.9-24.8-178.6-171176.9-175.8177.30112.6E4 K10E4-K6 PolarHBondContact O-N 3.02Å; K6-K10 WeakPolarHBondContact O-CD 3.49Å; K6-K10 VanDerWaalsContact O-CG 3.22Å; K6-K10 WeakPolarHBondContact O-CG 3.35Å; K6-K10 PolarHBondContact O-N 3Å
7S85.8Confident79.6Confident95 Ų95106.7 Ų106.766%0.66452%0.524SS*.Hα-helixtrans-73.5-49.4175.3-163.20000112D5 W9 K10 A11D5-S7 PolarHBondContact O-N 3.15Å; S7-W9 PolarHBondContact O-N 3.43Å; S7-K10 PolarHBondContact O-N 3.46Å; S7-A11 PolarHBondContact O-N 3.27Å
8T88.8Confident80Confident62 Ų62102.6 Ų102.638%0.3850%0.504SS..Hα-helixtrans-65.5-40.8179.9550000111D5 K10 A11 N12D5-T8 HydrophobicContact CB-CG2 4.36Å; D5-T8 PolarHBondContact N-OG1 3.1Å; D5-T8 PolarHBondContact O-N 3.26Å; D5-T8 PolarHBondContact O-OG1 3.19Å; T8-K10 VanDerWaalsContact C-N 3.33Å; T8-K10 PolarHBondContact O-N 2.82Å; T8-A11 PolarHBondContact O-N 3.28Å; T8-A11 VanDerWaalsContact O-N 3.17Å; T8-N12 WeakPolarHBondContact O-CB 3.14Å; T8-N12 VanDerWaalsContact O-CG 3.24Å; T8-N12 PolarHBondContact O-N 2.85Å; T8-N12 PolarHBondContact O-ND2 3.16Å
9W85.9Confident80.6Confident145 Ų145101 Ų10155%0.54950%0.501SS..Hα-helixtrans-59.1-42.3174.7176.969.2000112.8D5 S7 N12 Y13D5-W9 PolarHBondContact O-N 3.3Å; S7-W9 PolarHBondContact O-N 3.43Å; W9-N12 PolarHBondContact O-N 3.06Å; W9-Y13 WeakPolarHBondContact O-CB 3.46Å; W9-Y13 PolarHBondContact O-N 2.61Å
10K85.8Confident81Confident89 Ų8997.2 Ų97.239%0.38748%0.481SS..Hα-helixtrans-67.2-39.7176.2-76.6173.5-178.11780112.1K6 S7 T8 Y13 F14 L60K6-K10 WeakPolarHBondContact O-CD 3.49Å; K6-K10 VanDerWaalsContact O-CG 3.22Å; K6-K10 WeakPolarHBondContact O-CG 3.35Å; K6-K10 PolarHBondContact O-N 3Å; S7-K10 PolarHBondContact O-N 3.46Å; T8-K10 VanDerWaalsContact C-N 3.33Å; T8-K10 PolarHBondContact O-N 2.82Å; K10-Y13 PolarHBondContact O-N 3.13Å; K10-F14 VanDerWaalsContact O-CB 3.32Å; K10-F14 WeakPolarHBondContact O-CB 3.15Å; K10-F14 PolarHBondContact O-N 3.31Å; K10-L60 HydrophobicContact CB-CD1 4.42Å; K10-L60 HydrophobicContact CG-CD1 4.31Å; K10-L60 HydrophobicContact CG-CD2 4.3Å
11A87.3Confident81.2Confident50 Ų5094.2 Ų94.241%0.41347%0.467SS..Hα-helixtrans-64.1-44.817600000110.9S7 T8 Y13 F14 L15S7-A11 PolarHBondContact O-N 3.27Å; T8-A11 PolarHBondContact O-N 3.28Å; T8-A11 VanDerWaalsContact O-N 3.17Å; A11-Y13 VanDerWaalsContact C-N 3.34Å; A11-Y13 PolarHBondContact O-N 3.04Å; A11-F14 WeakPolarHBondContact O-CB 3.49Å; A11-F14 PolarHBondContact O-N 3.12Å; A11-F14 VanDerWaalsContact O-N 3.15Å; A11-L15 WeakPolarHBondContact O-CG 3.5Å; A11-L15 PolarHBondContact O-N 2.8Å
12N89.6Confident83.3Confident66 Ų6687.9 Ų87.935%0.35343%0.434SS..Hα-helixtrans-60.4-42.9175.1-71.3-19.3000111.8E4 T8 W9 K16E4-N12 PolarHBondContact OE2-ND2 2.75Å; E4-N12 VanDerWaalsContact OE2-ND2 3.17Å; T8-N12 WeakPolarHBondContact O-CB 3.14Å; T8-N12 VanDerWaalsContact O-CG 3.24Å; T8-N12 PolarHBondContact O-N 2.85Å; T8-N12 PolarHBondContact O-ND2 3.16Å; W9-N12 PolarHBondContact O-N 3.06Å; N12-K16 WeakPolarHBondContact O-CB 3.23Å; N12-K16 VanDerWaalsContact O-CG 3.31Å; N12-K16 WeakPolarHBondContact O-CG 3.35Å; N12-K16 PolarHBondContact O-N 3.15Å
13Y87.3Confident85.1Confident16 Ų1685.3 Ų85.36%0.06341%0.414CS..Hα-helixtrans-62.5-42.9174.2-178.5-92.1000112.1W9 K10 A11 K16 L17 L54 M55 G56 L60 I61W9-Y13 WeakPolarHBondContact O-CB 3.46Å; W9-Y13 PolarHBondContact O-N 2.61Å; K10-Y13 PolarHBondContact O-N 3.13Å; A11-Y13 VanDerWaalsContact C-N 3.34Å; A11-Y13 PolarHBondContact O-N 3.04Å; Y13-K16 PolarHBondContact O-N 3.27Å; Y13-L17 HydrophobicContact CE1-CD1 3.86Å; Y13-L17 WeakPolarHBondContact O-CB 3.24Å; Y13-L17 PolarHBondContact O-N 2.76Å; Y13-L54 HydrophobicContact CD2-CD1 4.18Å; Y13-L54 HydrophobicContact CE2-CD1 3.54Å; Y13-L54 HydrophobicContact CE2-CD2 4.09Å; Y13-L54 HydrophobicContact CE2-CG 3.81Å; Y13-M55 WeakPolarHBondContact CE2-O 3.45Å; Y13-M55 PolarHBondContact OH-O 3.1Å; Y13-G56 WeakPolarHBondContact OH-CA 3.16Å; Y13-G56 PolarHBondContact OH-N 3.48Å; Y13-L60 HydrophobicContact CD1-CD2 3.34Å; Y13-L60 HydrophobicContact CD1-CG 3.93Å; Y13-L60 HydrophobicContact CE1-CD2 3.86Å; Y13-L60 HydrophobicContact CE1-CG 4.21Å; Y13-L60 HydrophobicContact CG-CD2 4Å; Y13-I61 HydrophobicContact CE1-CG1 4.11Å; Y13-I61 WeakPolarHBondContact OH-CD1 3.25Å; Y13-I61 WeakPolarHBondContact OH-CG1 3.38Å
14F86.8Confident86.5Confident60 Ų6074.8 Ų74.826%0.26337%0.374SS..Hα-helixtrans-61.5-46.6178.8-166.7-89.9000111.4K10 A11 L17 L18 A64K10-F14 VanDerWaalsContact O-CB 3.32Å; K10-F14 WeakPolarHBondContact O-CB 3.15Å; K10-F14 PolarHBondContact O-N 3.31Å; A11-F14 WeakPolarHBondContact O-CB 3.49Å; A11-F14 PolarHBondContact O-N 3.12Å; A11-F14 VanDerWaalsContact O-N 3.15Å; F14-L17 PolarHBondContact O-N 2.99Å; F14-L18 HydrophobicContact CD1-CD1 3.74Å; F14-L18 HydrophobicContact CD1-CG 4.26Å; F14-L18 HydrophobicContact CE1-CD1 3.54Å; F14-L18 HydrophobicContact CE1-CG 4.23Å; F14-L18 WeakPolarHBondContact O-CG 3.48Å; F14-L18 PolarHBondContact O-N 3.28Å; F14-A64 HydrophobicContact CD2-CB 3.6Å; F14-A64 HydrophobicContact CE2-CB 3.55Å; F14-A64 HydrophobicContact CG-CB 4.43Å; F14-A64 HydrophobicContact CZ-CB 4.29Å
15L89Confident87.1Confident104 Ų10473.6 Ų73.655%0.54538%0.375SS..Hα-helixtrans-61-47.3175.7-69.5174.3000111.6A11 L17 L18 T19A11-L15 WeakPolarHBondContact O-CG 3.5Å; A11-L15 PolarHBondContact O-N 2.8Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.11Å; L15-L18 PolarHBondContact O-N 3.24Å; L15-T19 PolarHBondContact O-N 3.21Å; L15-T19 PolarHBondContact O-OG1 2.66Å
16K89.9Confident87.3Confident124 Ų12470 Ų7054%0.53935%0.353SS..Hα-helixtrans-58-43.9177.4-75.3178-179.9-174.50112.7N12 Y13 L18 T19 F20N12-K16 WeakPolarHBondContact O-CB 3.23Å; N12-K16 VanDerWaalsContact O-CG 3.31Å; N12-K16 WeakPolarHBondContact O-CG 3.35Å; N12-K16 PolarHBondContact O-N 3.15Å; Y13-K16 PolarHBondContact O-N 3.27Å; K16-L18 VanDerWaalsContact C-N 3.34Å; K16-T19 PolarHBondContact O-N 2.91Å; K16-F20 WeakPolarHBondContact O-CD2 3.4Å; K16-F20 WeakPolarHBondContact O-CG 3.46Å; K16-F20 PolarHBondContact O-N 3.36Å
17L88.5Confident87.7Confident3 Ų363 Ų632%0.01632%0.323CS..Hα-helixtrans-63.5-42.4178.4-169.6154.2000111.1Y13 F14 L15 F20 L21 L54 I61 A64Y13-L17 HydrophobicContact CE1-CD1 3.86Å; Y13-L17 WeakPolarHBondContact O-CB 3.24Å; Y13-L17 PolarHBondContact O-N 2.76Å; F14-L17 PolarHBondContact O-N 2.99Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.11Å; L17-F20 PolarHBondContact O-N 2.99Å; L17-L21 HydrophobicContact CD2-CD1 3.39Å; L17-L21 HydrophobicContact CD2-CG 3.92Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.36Å; L17-L54 HydrophobicContact CB-CD2 3.77Å; L17-L54 HydrophobicContact CD1-CD2 3.99Å; L17-L54 HydrophobicContact CG-CD2 3.85Å; L17-I61 HydrophobicContact CD1-CB 4.39Å; L17-I61 HydrophobicContact CD1-CG1 4.12Å; L17-I61 HydrophobicContact CD1-CG2 4.13Å; L17-A64 HydrophobicContact CD1-CB 4.23Å; L17-A64 HydrophobicContact CD2-CB 3.89Å
18L87Confident88Confident32 Ų3258.5 Ų58.517%0.16829%0.292CS..Hα-helixtrans-63.3-44.5176-71-178.4000112.1F14 L15 K16 F20 L21 E22 Y68F14-L18 HydrophobicContact CD1-CD1 3.74Å; F14-L18 HydrophobicContact CD1-CG 4.26Å; F14-L18 HydrophobicContact CE1-CD1 3.54Å; F14-L18 HydrophobicContact CE1-CG 4.23Å; F14-L18 WeakPolarHBondContact O-CG 3.48Å; F14-L18 PolarHBondContact O-N 3.28Å; L15-L18 PolarHBondContact O-N 3.24Å; K16-L18 VanDerWaalsContact C-N 3.34Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.17Å; L18-L21 PolarHBondContact O-N 3.25Å; L18-E22 PolarHBondContact O-N 3.44Å; L18-Y68 HydrophobicContact CD2-CD2 3.48Å; L18-Y68 VanDerWaalsContact CD2-CD2 3.48Å; L18-Y68 HydrophobicContact CD2-CE2 4.32Å; L18-Y68 HydrophobicContact CD2-CG 3.96Å
19T90.6Very high88.1Confident73 Ų7355.6 Ų55.645%0.44827%0.274SS..Hα-helixtrans-56.2-44.8174.7-55.80000110.8L15 K16 E22 E23L15-T19 PolarHBondContact O-N 3.21Å; L15-T19 PolarHBondContact O-OG1 2.66Å; K16-T19 PolarHBondContact O-N 2.91Å; T19-E22 PolarHBondContact O-N 3.3Å; T19-E23 WeakPolarHBondContact O-CB 3.39Å; T19-E23 PolarHBondContact O-N 3.1Å
20F89.9Confident88.4Confident25 Ų2548.7 Ų48.711%0.1125%0.248CC..Hα-helixtrans-69.8-35.9178.8-62.9-23.3000113.9K16 L17 L18 E22 Y24 E52 L54 F90K16-F20 WeakPolarHBondContact O-CD2 3.4Å; K16-F20 WeakPolarHBondContact O-CG 3.46Å; K16-F20 PolarHBondContact O-N 3.36Å; L17-F20 PolarHBondContact O-N 2.99Å; L18-F20 VanDerWaalsContact C-N 3.28Å; L18-F20 PolarHBondContact O-N 3.17Å; F20-E22 VanDerWaalsContact C-N 3.31Å; F20-Y24 HydrophobicContact CB-CD2 4.16Å; F20-Y24 HydrophobicContact CD1-CD2 4.25Å; F20-Y24 AromaticContact CD1-CE2 3.9Å; F20-Y24 HydrophobicContact CD1-CE2 3.9Å; F20-Y24 WeakPolarHBondContact O-CB 3.28Å; F20-Y24 WeakPolarHBondContact O-CD2 3.31Å; F20-Y24 PolarHBondContact O-N 3.3Å; F20-E52 WeakPolarHBondContact CE1-OE2 3.47Å; F20-E52 HydrophobicContact CZ-CB 4.37Å; F20-E52 WeakPolarHBondContact CZ-OE2 3.48Å; F20-L54 HydrophobicContact CD2-CB 4.23Å; F20-L54 HydrophobicContact CD2-CD2 4.05Å; F20-L54 HydrophobicContact CE2-CB 4.27Å; F20-L54 HydrophobicContact CE2-CD1 4.19Å; F20-L54 HydrophobicContact CE2-CD2 4.45Å; F20-F90 HydrophobicContact CB-CD1 4.11Å; F20-F90 HydrophobicContact CB-CD2 3.66Å; F20-F90 HydrophobicContact CB-CE1 4.17Å; F20-F90 HydrophobicContact CB-CE2 3.71Å; F20-F90 HydrophobicContact CB-CG 3.86Å; F20-F90 HydrophobicContact CB-CZ 3.98Å; F20-F90 AromaticContact CD2-CD2 3.78Å; F20-F90 HydrophobicContact CD2-CD2 3.78Å; F20-F90 AromaticContact CD2-CE2 3.85Å; F20-F90 HydrophobicContact CD2-CE2 3.85Å; F20-F90 HydrophobicContact CG-CD2 4.02Å; F20-F90 HydrophobicContact CG-CE2 4.24Å
21L84.9Confident88.6Confident34 Ų3445 Ų4518%0.17824%0.236CC..Hα-helixtrans-67.3-32.1174.8-75177.5000112.8L17 L18 I65 L75 F90L17-L21 HydrophobicContact CD2-CD1 3.39Å; L17-L21 HydrophobicContact CD2-CG 3.92Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.36Å; L18-L21 PolarHBondContact O-N 3.25Å; L21-I65 HydrophobicContact CD1-CG1 4.41Å; L21-L75 HydrophobicContact CD1-CD1 4.02Å; L21-L75 HydrophobicContact CD2-CD1 4.32Å; L21-L75 HydrophobicContact CD2-CD2 4.36Å; L21-F90 HydrophobicContact CD2-CE1 3.87Å; L21-F90 HydrophobicContact CD2-CZ 4.32Å; L21-F90 HydrophobicContact CG-CE1 4.43Å
22E86.2Confident88.5Confident108 Ų10843.2 Ų43.251%0.50522%0.219SC..Hα-helixtrans-78.6-38.8176.3-74.9178171.800111.6L18 T19 F20 Y68 K71L18-E22 PolarHBondContact O-N 3.44Å; T19-E22 PolarHBondContact O-N 3.3Å; F20-E22 VanDerWaalsContact C-N 3.31Å; E22-Y68 HydrophobicContact CG-CE2 3.84Å; E22-Y68 VanDerWaalsContact CG-OH 3.24Å; E22-Y68 WeakPolarHBondContact CG-OH 3.39Å; E22-Y68 WeakPolarHBondContact OE1-CE2 3.47Å; E22-K71 IonicContact OE1-NZ 2.99Å; E22-K71 PolarHBondContact OE1-NZ 3.2Å
23E88.6Confident88.4Confident80 Ų8044.9 Ų44.937%0.37423%0.228SC..Hα-helixtrans-80.1-35.4-175.4179.8170.4-167.600113.6T19 K92T19-E23 WeakPolarHBondContact O-CB 3.39Å; T19-E23 PolarHBondContact O-N 3.1Å; E23-K92 WeakPolarHBondContact O-CE 3.44Å; E23-K92 IonicContact OE1-NZ 2.78Å; E23-K92 PolarHBondContact OE1-NZ 3.32Å
24Y86.6Confident88.1Confident29 Ų2948.5 Ų48.511%0.11425%0.249CC..  trans-113.8114.5-172-63-84000111.3F20 K26 E52 F90 K92F20-Y24 HydrophobicContact CB-CD2 4.16Å; F20-Y24 HydrophobicContact CD1-CD2 4.25Å; F20-Y24 AromaticContact CD1-CE2 3.9Å; F20-Y24 HydrophobicContact CD1-CE2 3.9Å; F20-Y24 WeakPolarHBondContact O-CB 3.28Å; F20-Y24 WeakPolarHBondContact O-CD2 3.31Å; F20-Y24 PolarHBondContact O-N 3.3Å; Y24-K26 VanDerWaalsContact C-N 3.28Å; Y24-K26 PolarHBondContact O-N 2.88Å; Y24-E52 PolarHBondContact OH-OE1 2.94Å; Y24-F90 HydrophobicContact CD1-CB 4.23Å; Y24-F90 HydrophobicContact CD2-CB 3.67Å; Y24-F90 HydrophobicContact CD2-CG 4.34Å; Y24-F90 HydrophobicContact CE2-CB 4.31Å; Y24-F90 HydrophobicContact CG-CB 3.63Å; Y24-K92 HydrophobicContact CD1-CB 4.45Å; Y24-K92 HydrophobicContact CD1-CD 4.19Å; Y24-K92 HydrophobicContact CD1-CG 3.37Å; Y24-K92 HydrophobicContact CE1-CD 4.13Å; Y24-K92 HydrophobicContact CE1-CG 3.63Å; Y24-K92 HydrophobicContact CG-CG 4.43Å
25P84.7Confident88Confident72 Ų7246.9 Ų46.947%0.46824%0.243SC..SBendtrans-73-22.6179.828.8-34.2000113A195P25-A195 PolarHBondContact O-N 3.05Å
26K89.5Confident87.7Confident50 Ų5043.6 Ų43.622%0.21724%0.235CC..EExtended strand (participates in β ladder)trans-115137.9-174.2-67171.8-176.1179.40110.8Y24 T91 L95 Y193 D194Y24-K26 VanDerWaalsContact C-N 3.28Å; Y24-K26 PolarHBondContact O-N 2.88Å; K26-T91 HydrophobicContact CB-CG2 4.24Å; K26-T91 WeakPolarHBondContact CB-O 3.08Å; K26-T91 PolarHBondContact O-N 2.81Å; K26-T91 VanDerWaalsContact O-N 3.1Å; K26-L95 HydrophobicContact CB-CD2 4.01Å; K26-L95 HydrophobicContact CD-CD1 4.44Å; K26-L95 HydrophobicContact CD-CD2 3.94Å; K26-L95 HydrophobicContact CD-CG 4.05Å; K26-L95 HydrophobicContact CG-CD2 4.29Å; K26-Y193 WeakPolarHBondContact CA-O 3.27Å; K26-D194 WeakPolarHBondContact CE-OD1 3.42Å; K26-D194 HydrophobicContact CG-CB 4.49Å; K26-D194 VanDerWaalsContact CG-OD1 3.27Å; K26-D194 WeakPolarHBondContact CG-OD1 3.49Å
27C90Very high87.5Confident6 Ų642.7 Ų42.74%0.04124%0.244CC..EExtended strand (participates in β ladder)trans-145.2138.6179.6-167.30000111.9F88 V89 F90 Y193C27-F88 VanDerWaalsContact SG-CD1 3.57Å; C27-V89 CarbonylContact C-O 3.59Å; C27-V89 WeakPolarHBondContact CA-O 3.4Å; C27-F90 HydrophobicContact CB-CD1 3.93Å; C27-F90 HydrophobicContact CB-CE1 4.07Å; C27-F90 VanDerWaalsContact SG-CD1 3.59Å; C27-F90 VanDerWaalsContact SG-CE1 3.53Å; C27-Y193 HydrophobicContact CB-CD1 4.43Å; C27-Y193 PolarHBondContact N-O 3.3Å; C27-Y193 PolarHBondContact O-N 2.97Å
28F91.6Very high87.4Confident0 Ų050 Ų500%028%0.276CS..EExtended strand (participates in β ladder)trans-95.3133.2167.4-64.3-81.6000110.6V30 F88 V89 T91 L95 V98 M189 V192F28-V30 HydrophobicContact CB-CG2 3.81Å; F28-F88 WeakPolarHBondContact O-CA 3.33Å; F28-V89 HydrophobicContact CB-CB 4.22Å; F28-V89 PolarHBondContact N-O 2.92Å; F28-V89 PolarHBondContact O-N 3.4Å; F28-T91 HydrophobicContact CD2-CG2 4.37Å; F28-T91 HydrophobicContact CE2-CG2 3.93Å; F28-L95 HydrophobicContact CE1-CD2 4.1Å; F28-L95 HydrophobicContact CE2-CD2 3.76Å; F28-L95 HydrophobicContact CZ-CB 3.82Å; F28-L95 HydrophobicContact CZ-CD2 3.42Å; F28-L95 VanDerWaalsContact CZ-CD2 3.42Å; F28-L95 HydrophobicContact CZ-CG 4.23Å; F28-L95 WeakPolarHBondContact CZ-O 3.36Å; F28-V98 HydrophobicContact CD2-CG1 4.16Å; F28-V98 HydrophobicContact CE2-CB 4.01Å; F28-V98 HydrophobicContact CE2-CG1 3.69Å; F28-M189 HydrophobicContact CD1-CE 3.99Å; F28-M189 HydrophobicContact CD1-SD 3.84Å; F28-M189 HydrophobicContact CE1-CE 4.11Å; F28-M189 HydrophobicContact CE1-SD 3.94Å; F28-M189 HydrophobicContact CG-CE 4.23Å; F28-M189 HydrophobicContact CZ-CE 4.43Å; F28-V192 HydrophobicContact CD1-CB 4.24Å; F28-V192 HydrophobicContact CD1-CG1 3.94Å; F28-V192 HydrophobicContact CD1-CG2 3.72Å; F28-V192 HydrophobicContact CE1-CB 4.26Å; F28-V192 HydrophobicContact CE1-CG1 3.71Å; F28-V192 HydrophobicContact CE1-CG2 3.64Å; F28-V192 HydrophobicContact CZ-CG1 4.42Å
29I91Very high87.2Confident1 Ų149.1 Ų49.11%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-90115.1166.1-54.2-176.1000107.2V78 H81 V86 F88 K190 K191I29-V78 HydrophobicContact CD1-CG1 3.89Å; I29-H81 HydrophobicContact CD1-CB 3.96Å; I29-V86 HydrophobicContact CG2-CG1 3.33Å; I29-F88 HydrophobicContact CG1-CE1 4.15Å; I29-K190 PolarHBondContact O-N 3Å; I29-K191 HydrophobicContact CB-CB 4.21Å; I29-K191 HydrophobicContact CD1-CB 4.11Å; I29-K191 HydrophobicContact CG1-CB 4.39Å; I29-K191 PolarHBondContact N-O 3.32Å; I29-K191 PolarHBondContact O-N 3.38Å
30V91.1Very high87.1Confident1 Ų146.5 Ų46.51%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-120.5131-169.6-1580000110.4F28 V86 G87 V89 L187 V188F28-V30 HydrophobicContact CB-CG2 3.81Å; V30-V86 CarbonylContact O-C 3.52Å; V30-V86 WeakPolarHBondContact O-CA 3.43Å; V30-G87 PolarHBondContact N-O 3.38Å; V30-G87 PolarHBondContact O-N 3.09Å; V30-V89 HydrophobicContact CG2-CB 4.23Å; V30-V89 HydrophobicContact CG2-CG2 3.68Å; V30-L187 HydrophobicContact CG1-CB 3.55Å; V30-L187 HydrophobicContact CG1-CD1 4.27Å; V30-L187 HydrophobicContact CG1-CD2 3.76Å; V30-L187 HydrophobicContact CG1-CG 4.03Å; V30-V188 CarbonylContact C-O 3.51Å; V30-V188 WeakPolarHBondContact CA-O 3.34Å; V30-V188 VanDerWaalsContact CG1-O 3.32Å; V30-V188 WeakPolarHBondContact CG1-O 3.48Å
31G89.5Confident87.1Confident12 Ų1251.2 Ų51.212%0.12428%0.276CS..EExtended strand (participates in β ladder)trans-81.5135.616900000110.9N85 V188G31-N85 WeakPolarHBondContact CA-O 3.34Å; G31-V188 PolarHBondContact N-O 3.44Å; G31-V188 PolarHBondContact O-N 2.93Å; G31-V188 VanDerWaalsContact O-N 3.11Å
32V87.1Confident87.2Confident12 Ų1253.9 Ų53.97%0.07329%0.288CS..  trans-123.568.9-176.6-169.10000110V35 M40 M55 N85 L187V32-V35 HydrophobicContact CG1-CB 3.66Å; V32-V35 HydrophobicContact CG1-CG1 4.32Å; V32-V35 HydrophobicContact CG1-CG2 3.72Å; V32-M40 HydrophobicContact CG1-SD 3.98Å; V32-M55 HydrophobicContact CB-CE 3.93Å; V32-M55 HydrophobicContact CG1-CE 4.49Å; V32-M55 HydrophobicContact CG2-CE 3.42Å; V32-M55 VanDerWaalsContact CG2-CE 3.42Å; V32-M55 HydrophobicContact CG2-SD 3.79Å; V32-N85 PolarHBondContact N-O 3.37Å; V32-N85 PolarHBondContact O-ND2 3.25Å; V32-L187 HydrophobicContact CB-CD2 4.35Å; V32-L187 HydrophobicContact CG1-CD2 4.25Å; V32-L187 HydrophobicContact CG2-CD2 3.53Å
33D86Confident87.3Confident101 Ų10148.9 Ų48.954%0.5426%0.264SS..SBendtrans-95.6131.6178.4-65.7-41.5000111.1V35D33-V35 PolarHBondContact O-N 3.5Å
34N82.4Confident87.3Confident92 Ų9250.1 Ų50.149%0.49227%0.266SS..SBendtrans5717.8178.8-64.8-30.2000116.4Y185N34-Y185 HydrophobicContact CB-CD1 3.81Å; N34-Y185 HydrophobicContact CB-CD2 3.83Å; N34-Y185 HydrophobicContact CB-CE1 3.88Å; N34-Y185 HydrophobicContact CB-CE2 3.93Å; N34-Y185 HydrophobicContact CB-CG 3.8Å
35V83.7Confident87.4Confident25 Ų2550.2 Ų50.215%0.15228%0.276CS..  trans-79.7126.2176.8-174.90000110.5V32 D33 Q39 M40V32-V35 HydrophobicContact CG1-CB 3.66Å; V32-V35 HydrophobicContact CG1-CG1 4.32Å; V32-V35 HydrophobicContact CG1-CG2 3.72Å; D33-V35 PolarHBondContact O-N 3.5Å; V35-Q39 HydrophobicContact CG1-CB 4.02Å; V35-Q39 HydrophobicContact CG1-CG 3.8Å; V35-M40 HydrophobicContact CB-SD 4.46Å; V35-M40 HydrophobicContact CG1-CG 3.73Å; V35-M40 HydrophobicContact CG1-SD 3.65Å
36G82.5Confident87.4Confident36 Ų3649 Ų4937%0.37127%0.269SS..  trans-77.1158.8179.700000114K38 Q39 M40G36-K38 VanDerWaalsContact C-N 3.32Å; G36-K38 PolarHBondContact O-N 3.12Å; G36-Q39 WeakPolarHBondContact O-CB 3.43Å; G36-Q39 PolarHBondContact O-N 3.06Å; G36-M40 PolarHBondContact O-N 3.5Å
37S86Confident87.3Confident105 Ų10546.8 Ų46.873%0.73426%0.259SS*.Hα-helixtrans-59-39.6178-56.50000113.4M40 Q41S37-M40 PolarHBondContact O-N 2.9Å; S37-Q41 PolarHBondContact O-N 3.01Å
38K86.5Confident87.1Confident155 Ų15555.6 Ų55.667%0.67429%0.292SS*.Hα-helixtrans-62.7-45.9176.5-174.7-178.9176.7-173.40111.1G36 M40 Q41 E42G36-K38 VanDerWaalsContact C-N 3.32Å; G36-K38 PolarHBondContact O-N 3.12Å; K38-M40 PolarHBondContact O-N 3.49Å; K38-Q41 WeakPolarHBondContact O-CB 3.28Å; K38-Q41 PolarHBondContact O-N 3.49Å; K38-Q41 VanDerWaalsContact O-N 3.08Å; K38-E42 VanDerWaalsContact CE-OE1 3.24Å; K38-E42 WeakPolarHBondContact CE-OE1 3.4Å; K38-E42 WeakPolarHBondContact O-CG 3.33Å; K38-E42 PolarHBondContact O-N 2.97Å
39Q83.7Confident86.7Confident15 Ų1559.6 Ų59.67%0.0733%0.333CS..Hα-helixtrans-60.8-43.7175.5-177.5177.613.100111.5V35 G36 Q41 E42 I43 K105 V107 Y185V35-Q39 HydrophobicContact CG1-CB 4.02Å; V35-Q39 HydrophobicContact CG1-CG 3.8Å; G36-Q39 WeakPolarHBondContact O-CB 3.43Å; G36-Q39 PolarHBondContact O-N 3.06Å; Q39-Q41 PolarHBondContact O-N 2.74Å; Q39-E42 PolarHBondContact O-N 2.93Å; Q39-I43 HydrophobicContact CG-CD1 3.78Å; Q39-I43 HydrophobicContact CG-CG1 4.39Å; Q39-I43 WeakPolarHBondContact O-CB 3.49Å; Q39-I43 VanDerWaalsContact O-CG1 3.26Å; Q39-I43 WeakPolarHBondContact O-CG1 3.39Å; Q39-I43 PolarHBondContact O-N 3.29Å; Q39-K105 PolarHBondContact NE2-O 2.88Å; Q39-V107 HydrophobicContact CB-CG2 4.26Å; Q39-V107 HydrophobicContact CG-CB 4.26Å; Q39-V107 HydrophobicContact CG-CG2 3.68Å; Q39-Y185 PolarHBondContact NE2-O 3.48Å
40M87.9Confident86.5Confident17 Ų1764.8 Ų64.88%0.08435%0.353CS..Hα-helixtrans-61.4-33.4174.9-72-62.4-71.800112.7V32 V35 G36 S37 K38 R44 L53 M55 L187V32-M40 HydrophobicContact CG1-SD 3.98Å; V35-M40 HydrophobicContact CB-SD 4.46Å; V35-M40 HydrophobicContact CG1-CG 3.73Å; V35-M40 HydrophobicContact CG1-SD 3.65Å; G36-M40 PolarHBondContact O-N 3.5Å; S37-M40 PolarHBondContact O-N 2.9Å; K38-M40 PolarHBondContact O-N 3.49Å; M40-R44 WeakPolarHBondContact O-CB 3.28Å; M40-R44 VanDerWaalsContact O-CG 3.31Å; M40-R44 WeakPolarHBondContact O-CG 3.41Å; M40-R44 PolarHBondContact O-N 3.2Å; M40-R44 PolarHBondContact O-NE 2.73Å; M40-L53 HydrophobicContact CE-CD1 3.92Å; M40-L53 HydrophobicContact CE-CD2 3.44Å; M40-L53 VanDerWaalsContact CE-CD2 3.44Å; M40-L53 HydrophobicContact CE-CG 4.38Å; M40-M55 HydrophobicContact CE-CG 3.94Å; M40-M55 HydrophobicContact CE-SD 4.25Å; M40-L187 HydrophobicContact SD-CD2 4.4Å
41Q88.6Confident86.4Confident125 Ų12565.1 Ų65.158%0.58436%0.355SS*.Hα-helixtrans-71.2-41.8175.1-175.8176.9-1.800111.9S37 K38 Q39 R44 G45S37-Q41 PolarHBondContact O-N 3.01Å; K38-Q41 WeakPolarHBondContact O-CB 3.28Å; K38-Q41 PolarHBondContact O-N 3.49Å; K38-Q41 VanDerWaalsContact O-N 3.08Å; Q39-Q41 PolarHBondContact O-N 2.74Å; Q41-R44 PolarHBondContact O-N 3.4Å; Q41-G45 PolarHBondContact O-N 2.98Å
42E87.3Confident86.4Confident90 Ų9068.1 Ų68.142%0.42137%0.366SS..Hα-helixtrans-64.2-43.7175.9-72.2171.7-168.200111.7K38 Q39 G45 S46K38-E42 VanDerWaalsContact CE-OE1 3.24Å; K38-E42 WeakPolarHBondContact CE-OE1 3.4Å; K38-E42 WeakPolarHBondContact O-CG 3.33Å; K38-E42 PolarHBondContact O-N 2.97Å; Q39-E42 PolarHBondContact O-N 2.93Å; E42-G45 WeakPolarHBondContact O-CA 3.42Å; E42-G45 PolarHBondContact O-N 3.34Å; E42-G45 VanDerWaalsContact O-N 3.14Å; E42-S46 PolarHBondContact O-N 3.14Å
43I88.2Confident86.5Confident2 Ų268.9 Ų68.91%0.0137%0.369CS..Hα-helixtrans-61.7-47.5174.4-67.7164.8000110.3Q39 G45 S46 L47 L53 K105 L187Q39-I43 HydrophobicContact CG-CD1 3.78Å; Q39-I43 HydrophobicContact CG-CG1 4.39Å; Q39-I43 WeakPolarHBondContact O-CB 3.49Å; Q39-I43 VanDerWaalsContact O-CG1 3.26Å; Q39-I43 WeakPolarHBondContact O-CG1 3.39Å; Q39-I43 PolarHBondContact O-N 3.29Å; I43-G45 PolarHBondContact O-N 3.02Å; I43-S46 PolarHBondContact O-N 3.37Å; I43-S46 VanDerWaalsContact O-N 3.13Å; I43-L47 HydrophobicContact CG2-CD1 3.57Å; I43-L47 HydrophobicContact CG2-CG 4.17Å; I43-L47 WeakPolarHBondContact O-CB 3.09Å; I43-L47 VanDerWaalsContact O-CG 3.29Å; I43-L47 WeakPolarHBondContact O-CG 3.5Å; I43-L47 PolarHBondContact O-N 3.31Å; I43-L53 HydrophobicContact CG2-CD1 4.3Å; I43-K105 HydrophobicContact CG1-CB 4Å; I43-L187 HydrophobicContact CD1-CD1 4.05Å; I43-L187 HydrophobicContact CD1-CG 3.94Å; I43-L187 HydrophobicContact CG2-CD1 3.71Å
44R89.1Confident86.7Confident107 Ų10764.9 Ų64.940%0.40435%0.348SS..Hα-helixtrans-59.4-35.2174.5-81.3-173.2-69.7-97.3-1.6112.3M40 Q41 R48 L53M40-R44 WeakPolarHBondContact O-CB 3.28Å; M40-R44 VanDerWaalsContact O-CG 3.31Å; M40-R44 WeakPolarHBondContact O-CG 3.41Å; M40-R44 PolarHBondContact O-N 3.2Å; M40-R44 PolarHBondContact O-NE 2.73Å; Q41-R44 PolarHBondContact O-N 3.4Å; R44-R48 WeakPolarHBondContact O-CG 3.16Å; R44-R48 PolarHBondContact O-N 2.65Å; R44-L53 HydrophobicContact CG-CB 4.39Å
45G87.9Confident87Confident31 Ų3163.1 Ų63.132%0.3234%0.338SS..Hα-helixtrans-63.9-44.9173.800000112.5Q41 E42 I43 L47 R48Q41-G45 PolarHBondContact O-N 2.98Å; E42-G45 WeakPolarHBondContact O-CA 3.42Å; E42-G45 PolarHBondContact O-N 3.34Å; E42-G45 VanDerWaalsContact O-N 3.14Å; I43-G45 PolarHBondContact O-N 3.02Å; G45-L47 VanDerWaalsContact C-N 3.34Å; G45-R48 WeakPolarHBondContact O-CG 3.47Å; G45-R48 PolarHBondContact O-N 2.88Å
46S85.8Confident87.1Confident47 Ų4763.2 Ų63.233%0.32934%0.343SS..Hα-helixtrans-69.7-29.2178.5-166.70000113.5E42 I43E42-S46 PolarHBondContact O-N 3.14Å; I43-S46 PolarHBondContact O-N 3.37Å; I43-S46 VanDerWaalsContact O-N 3.13Å
47L86.6Confident87.4Confident3 Ų368.5 Ų68.52%0.01636%0.356CS..Hα-helixtrans-85.7-9.4179.5-66.1172.2000113I43 G45 G49 R50 A51 L53 V89 V98 I102I43-L47 HydrophobicContact CG2-CD1 3.57Å; I43-L47 HydrophobicContact CG2-CG 4.17Å; I43-L47 WeakPolarHBondContact O-CB 3.09Å; I43-L47 VanDerWaalsContact O-CG 3.29Å; I43-L47 WeakPolarHBondContact O-CG 3.5Å; I43-L47 PolarHBondContact O-N 3.31Å; G45-L47 VanDerWaalsContact C-N 3.34Å; L47-G49 PolarHBondContact O-N 3Å; L47-R50 PolarHBondContact O-N 2.96Å; L47-A51 CarbonylContact C-O 3.55Å; L47-A51 HydrophobicContact CB-CB 4.29Å; L47-A51 WeakPolarHBondContact CB-O 3.43Å; L47-A51 HydrophobicContact CD2-CB 4.03Å; L47-A51 PolarHBondContact O-N 3.1Å; L47-L53 HydrophobicContact CD1-CB 4.4Å; L47-L53 HydrophobicContact CD1-CD1 4.39Å; L47-V89 HydrophobicContact CD1-CG1 4.29Å; L47-V98 HydrophobicContact CD2-CG1 4.42Å; L47-I102 HydrophobicContact CD1-CG1 4.49Å; L47-I102 HydrophobicContact CD2-CD1 4.43Å; L47-I102 HydrophobicContact CD2-CG1 3.9Å
48R86.5Confident87.5Confident191 Ų19165.4 Ų65.472%0.72133%0.331SS*.THydrogen-bonded Turntrans-54.9129-179-66.6-171.7-179.9145.7-3.6110.9R44 G45 R50R44-R48 WeakPolarHBondContact O-CG 3.16Å; R44-R48 PolarHBondContact O-N 2.65Å; G45-R48 WeakPolarHBondContact O-CG 3.47Å; G45-R48 PolarHBondContact O-N 2.88Å; R48-R50 PolarHBondContact O-N 2.93Å
49G84Confident87.6Confident84 Ų8462.4 Ų62.487%0.86633%0.326SS*.THydrogen-bonded Turntrans86.7-29.9-178.400000114.3L47L47-G49 PolarHBondContact O-N 3Å
50R86.1Confident87.8Confident110 Ų11063 Ų6342%0.41533%0.329SS..THydrogen-bonded Turntrans-95.9-40.9-177.2-61.1-164.3171.6170.5-5.5113.8L47 R48 T91 E93 S101L47-R50 PolarHBondContact O-N 2.96Å; R48-R50 PolarHBondContact O-N 2.93Å; R50-T91 PolarHBondContact O-OG1 3.31Å; R50-E93 WeakPolarHBondContact CB-OE2 3.34Å; R50-E93 VanDerWaalsContact CD-OE2 3.28Å; R50-E93 WeakPolarHBondContact CD-OE2 3.25Å; R50-E93 WeakPolarHBondContact CG-OE1 3.22Å; R50-E93 WeakPolarHBondContact CG-OE2 3.32Å; R50-E93 IonicContact NE-OE2 2.87Å; R50-S101 PolarHBondContact NH1-OG 3.09Å
51A88.6Confident87.9Confident7 Ų762.2 Ų62.26%0.05833%0.326CS..EExtended strand (participates in β ladder)trans-155.6151.6-174.100000112.7L47 V89 F90 V98L47-A51 CarbonylContact C-O 3.55Å; L47-A51 HydrophobicContact CB-CB 4.29Å; L47-A51 WeakPolarHBondContact CB-O 3.43Å; L47-A51 HydrophobicContact CD2-CB 4.03Å; L47-A51 PolarHBondContact O-N 3.1Å; A51-V89 HydrophobicContact CB-CG1 3.66Å; A51-F90 CarbonylContact C-O 3.45Å; A51-F90 WeakPolarHBondContact CA-O 3.41Å; A51-F90 VanDerWaalsContact CB-O 3.22Å; A51-F90 WeakPolarHBondContact CB-O 3.48Å; A51-V98 HydrophobicContact CB-CG1 4.11Å
52E90.6Very high87.9Confident76 Ų7658.9 Ų58.936%0.35531%0.309SS..EExtended strand (participates in β ladder)trans-114.5125.5177.5-68.2-161.8-134.500111.2F20 Y24 V89 F90F20-E52 WeakPolarHBondContact CE1-OE2 3.47Å; F20-E52 HydrophobicContact CZ-CB 4.37Å; F20-E52 WeakPolarHBondContact CZ-OE2 3.48Å; Y24-E52 PolarHBondContact OH-OE1 2.94Å; E52-V89 CarbonylContact O-C 3.57Å; E52-V89 WeakPolarHBondContact O-CA 3.42Å; E52-F90 PolarHBondContact N-O 3.32Å; E52-F90 PolarHBondContact O-N 2.69Å
53L89.2Confident88Confident27 Ų2761.6 Ų61.614%0.14132%0.32CS..EExtended strand (participates in β ladder)trans-97.9117.7-179.5-172.4154.2000110.2M40 I43 R44 L47 M55 F88 V89 L187M40-L53 HydrophobicContact CE-CD1 3.92Å; M40-L53 HydrophobicContact CE-CD2 3.44Å; M40-L53 VanDerWaalsContact CE-CD2 3.44Å; M40-L53 HydrophobicContact CE-CG 4.38Å; I43-L53 HydrophobicContact CG2-CD1 4.3Å; R44-L53 HydrophobicContact CG-CB 4.39Å; L47-L53 HydrophobicContact CD1-CB 4.4Å; L47-L53 HydrophobicContact CD1-CD1 4.39Å; L53-M55 HydrophobicContact CD2-CG 3.58Å; L53-M55 HydrophobicContact CD2-SD 3.85Å; L53-F88 CarbonylContact C-O 3.41Å; L53-F88 WeakPolarHBondContact CA-O 3.38Å; L53-V89 HydrophobicContact CB-CG2 4.18Å; L53-V89 HydrophobicContact CD1-CG2 3.88Å; L53-V89 HydrophobicContact CG-CG2 3.9Å; L53-L187 HydrophobicContact CD1-CD1 3.81Å
54L89.9Confident87.9Confident17 Ų1761.5 Ų61.59%0.08932%0.319CS..EExtended strand (participates in β ladder)trans-115.3118175-171.569.6000110.7Y13 L17 F20 F88 F90Y13-L54 HydrophobicContact CD2-CD1 4.18Å; Y13-L54 HydrophobicContact CE2-CD1 3.54Å; Y13-L54 HydrophobicContact CE2-CD2 4.09Å; Y13-L54 HydrophobicContact CE2-CG 3.81Å; L17-L54 HydrophobicContact CB-CD2 3.77Å; L17-L54 HydrophobicContact CD1-CD2 3.99Å; L17-L54 HydrophobicContact CG-CD2 3.85Å; F20-L54 HydrophobicContact CD2-CB 4.23Å; F20-L54 HydrophobicContact CD2-CD2 4.05Å; F20-L54 HydrophobicContact CE2-CB 4.27Å; F20-L54 HydrophobicContact CE2-CD1 4.19Å; F20-L54 HydrophobicContact CE2-CD2 4.45Å; L54-F88 PolarHBondContact N-O 3.08Å; L54-F88 PolarHBondContact O-N 2.96Å; L54-F90 HydrophobicContact CB-CD2 4.42Å; L54-F90 HydrophobicContact CB-CE2 3.95Å; L54-F90 HydrophobicContact CD2-CE2 4.2Å
55M87.7Confident87.7Confident56 Ų5656.7 Ų56.728%0.27630%0.301SS..EExtended strand (participates in β ladder)trans-104147.6170-59.1-57-60.900110Y13 V32 M40 L53 V86 G87Y13-M55 WeakPolarHBondContact CE2-O 3.45Å; Y13-M55 PolarHBondContact OH-O 3.1Å; V32-M55 HydrophobicContact CB-CE 3.93Å; V32-M55 HydrophobicContact CG1-CE 4.49Å; V32-M55 HydrophobicContact CG2-CE 3.42Å; V32-M55 VanDerWaalsContact CG2-CE 3.42Å; V32-M55 HydrophobicContact CG2-SD 3.79Å; M40-M55 HydrophobicContact CE-CG 3.94Å; M40-M55 HydrophobicContact CE-SD 4.25Å; L53-M55 HydrophobicContact CD2-CG 3.58Å; L53-M55 HydrophobicContact CD2-SD 3.85Å; M55-V86 WeakPolarHBondContact CE-O 3.15Å; M55-G87 WeakPolarHBondContact SD-CA 3.32Å
56G86Confident87.7Confident26 Ų2662.7 Ų62.727%0.26831%0.314SS..  trans-169.5176.5171.300000113.3Y13 N58Y13-G56 WeakPolarHBondContact OH-CA 3.16Å; Y13-G56 PolarHBondContact OH-N 3.48Å; G56-N58 PolarHBondContact O-N 2.87Å
57K89Confident87.5Confident147 Ų14762.9 Ų62.964%0.63932%0.324SS*.  trans-70.2127.4179.2-170.8175.5179.8172.90109.8T59 L60 I61K57-T59 WeakPolarHBondContact CD-OG1 3.4Å; K57-T59 WeakPolarHBondContact CE-OG1 3.24Å; K57-T59 WeakPolarHBondContact CG-OG1 3.44Å; K57-T59 PolarHBondContact O-N 2.96Å; K57-T59 VanDerWaalsContact O-N 3.08Å; K57-L60 HydrophobicContact CB-CB 4.28Å; K57-L60 WeakPolarHBondContact O-CA 3.33Å; K57-L60 WeakPolarHBondContact O-CB 3.39Å; K57-L60 PolarHBondContact O-N 3.46Å; K57-I61 PolarHBondContact O-N 3.46Å
58N88.6Confident87.3Confident41 Ų4164 Ų6422%0.21933%0.328CS..Hα-helixtrans-48.1-43.2-179.7-63.8-1.2000113.5G56 L60 I61 K62 I82 G84G56-N58 PolarHBondContact O-N 2.87Å; N58-L60 VanDerWaalsContact C-N 3.29Å; N58-L60 PolarHBondContact O-N 3.44Å; N58-I61 PolarHBondContact O-N 2.7Å; N58-K62 WeakPolarHBondContact O-CB 3.5Å; N58-K62 VanDerWaalsContact O-CG 3.29Å; N58-K62 WeakPolarHBondContact O-CG 3.27Å; N58-K62 PolarHBondContact O-N 3.49Å; N58-I82 HydrophobicContact CB-CG2 3.89Å; N58-G84 PolarHBondContact ND2-O 3.23Å
59T88.7Confident86.9Confident92 Ų9257.5 Ų57.556%0.56431%0.308SS*.Hα-helixtrans-62.9-35.7178.857.10000112.8K57 K63K57-T59 WeakPolarHBondContact CD-OG1 3.4Å; K57-T59 WeakPolarHBondContact CE-OG1 3.24Å; K57-T59 WeakPolarHBondContact CG-OG1 3.44Å; K57-T59 PolarHBondContact O-N 2.96Å; K57-T59 VanDerWaalsContact O-N 3.08Å; T59-K63 PolarHBondContact O-N 3.42Å
60L88Confident86.6Confident26 Ų2658.9 Ų58.914%0.13630%0.301CS..Hα-helixtrans-73.6-44.3179.2-173.565.7000110.5K10 Y13 K57 N58 K63 A64K10-L60 HydrophobicContact CB-CD1 4.42Å; K10-L60 HydrophobicContact CG-CD1 4.31Å; K10-L60 HydrophobicContact CG-CD2 4.3Å; Y13-L60 HydrophobicContact CD1-CD2 3.34Å; Y13-L60 HydrophobicContact CD1-CG 3.93Å; Y13-L60 HydrophobicContact CE1-CD2 3.86Å; Y13-L60 HydrophobicContact CE1-CG 4.21Å; Y13-L60 HydrophobicContact CG-CD2 4Å; K57-L60 HydrophobicContact CB-CB 4.28Å; K57-L60 WeakPolarHBondContact O-CA 3.33Å; K57-L60 WeakPolarHBondContact O-CB 3.39Å; K57-L60 PolarHBondContact O-N 3.46Å; N58-L60 VanDerWaalsContact C-N 3.29Å; N58-L60 PolarHBondContact O-N 3.44Å; L60-K63 PolarHBondContact O-N 2.8Å; L60-A64 PolarHBondContact O-N 3.2Å
61I88.8Confident86.1Confident1 Ų160.4 Ų60.41%0.00531%0.311CS..Hα-helixtrans-61.3-47.8176.6-61.6177.5000110.5Y13 L17 K57 N58 K63 A64 I65 I82 F88Y13-I61 HydrophobicContact CE1-CG1 4.11Å; Y13-I61 WeakPolarHBondContact OH-CD1 3.25Å; Y13-I61 WeakPolarHBondContact OH-CG1 3.38Å; L17-I61 HydrophobicContact CD1-CB 4.39Å; L17-I61 HydrophobicContact CD1-CG1 4.12Å; L17-I61 HydrophobicContact CD1-CG2 4.13Å; K57-I61 PolarHBondContact O-N 3.46Å; N58-I61 PolarHBondContact O-N 2.7Å; I61-K63 VanDerWaalsContact C-N 3.26Å; I61-K63 PolarHBondContact O-N 2.99Å; I61-A64 PolarHBondContact O-N 3.05Å; I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.46Å; I61-I65 PolarHBondContact O-N 2.95Å; I61-I82 HydrophobicContact CG2-CD1 3.8Å; I61-F88 HydrophobicContact CD1-CD2 4.07Å; I61-F88 HydrophobicContact CD1-CE2 3.73Å; I61-F88 HydrophobicContact CG2-CD2 4.39Å; I61-F88 HydrophobicContact CG2-CE2 3.49Å; I61-F88 VanDerWaalsContact CG2-CE2 3.49Å; I61-F88 HydrophobicContact CG2-CZ 3.87Å
62K89.4Confident85.4Confident55 Ų5562.1 Ų62.124%0.23932%0.319CS..Hα-helixtrans-58.3-38.3176.2-73.2-173.6-178.5-1630112N58 R66 L79 I82N58-K62 WeakPolarHBondContact O-CB 3.5Å; N58-K62 VanDerWaalsContact O-CG 3.29Å; N58-K62 WeakPolarHBondContact O-CG 3.27Å; N58-K62 PolarHBondContact O-N 3.49Å; K62-R66 WeakPolarHBondContact O-CB 3.41Å; K62-R66 WeakPolarHBondContact O-CG 3.26Å; K62-R66 PolarHBondContact O-N 2.75Å; K62-L79 HydrophobicContact CB-CD2 4.12Å; K62-L79 VanDerWaalsContact CE-O 3.32Å; K62-L79 WeakPolarHBondContact CE-O 3.29Å; K62-L79 HydrophobicContact CG-CD2 4Å; K62-L79 PolarHBondContact NZ-O 3Å; K62-I82 WeakPolarHBondContact CE-O 3.39Å; K62-I82 HydrophobicContact CG-CB 4.5Å; K62-I82 HydrophobicContact CG-CD1 4.21Å; K62-I82 PolarHBondContact NZ-O 2.94Å
63K88.6Confident84.7Confident148 Ų14862.5 Ų62.564%0.64333%0.328SS*.Hα-helixtrans-66.6-39.7175.3-172.3175.5179.9178.90111.9T59 L60 I61 G67T59-K63 PolarHBondContact O-N 3.42Å; L60-K63 PolarHBondContact O-N 2.8Å; I61-K63 VanDerWaalsContact C-N 3.26Å; I61-K63 PolarHBondContact O-N 2.99Å; K63-G67 PolarHBondContact O-N 3.31Å
64A86.2Confident84.1Confident0 Ų065.7 Ų65.70%034%0.342CS..Hα-helixtrans-65.5-47.9177.700000112.8F14 L17 L60 I61 R66 G67 Y68F14-A64 HydrophobicContact CD2-CB 3.6Å; F14-A64 HydrophobicContact CE2-CB 3.55Å; F14-A64 HydrophobicContact CG-CB 4.43Å; F14-A64 HydrophobicContact CZ-CB 4.29Å; L17-A64 HydrophobicContact CD1-CB 4.23Å; L17-A64 HydrophobicContact CD2-CB 3.89Å; L60-A64 PolarHBondContact O-N 3.2Å; I61-A64 PolarHBondContact O-N 3.05Å; A64-R66 PolarHBondContact O-N 2.95Å; A64-G67 PolarHBondContact O-N 3.34Å; A64-G67 VanDerWaalsContact O-N 3.16Å; A64-Y68 PolarHBondContact O-N 2.7Å; A64-Y68 VanDerWaalsContact O-N 3.08Å
65I86.4Confident83.5Confident5 Ų565.2 Ų65.23%0.02634%0.34CS..Hα-helixtrans-63.9-41.7178-65.4169.1000111L21 I61 G67 Y68 L69 L75 V78 L79 I82L21-I65 HydrophobicContact CD1-CG1 4.41Å; I61-I65 HydrophobicContact CG2-CD1 3.78Å; I61-I65 HydrophobicContact CG2-CG1 4.46Å; I61-I65 PolarHBondContact O-N 2.95Å; I65-G67 VanDerWaalsContact C-N 3.3Å; I65-G67 PolarHBondContact O-N 3.28Å; I65-Y68 CarbonylContact O-C 3.55Å; I65-Y68 PolarHBondContact O-N 3.29Å; I65-L69 PolarHBondContact O-N 3.11Å; I65-L75 HydrophobicContact CG2-CB 3.78Å; I65-L75 HydrophobicContact CG2-CD1 4.45Å; I65-V78 HydrophobicContact CD1-CG1 4.27Å; I65-L79 HydrophobicContact CB-CD2 3.76Å; I65-L79 HydrophobicContact CD1-CD2 4.27Å; I65-L79 HydrophobicContact CG2-CD1 4.44Å; I65-L79 HydrophobicContact CG2-CD2 3.66Å; I65-L79 HydrophobicContact CG2-CG 3.93Å; I65-I82 HydrophobicContact CD1-CD1 3.59Å
66R86.2Confident83.1Confident157 Ų15765.6 Ų65.659%0.59234%0.343SS*.Hα-helixtrans-61.7-36.2174.4-75.5175.1-175.7166-0.9113.2K62 A64 Y68 L69 L79K62-R66 WeakPolarHBondContact O-CB 3.41Å; K62-R66 WeakPolarHBondContact O-CG 3.26Å; K62-R66 PolarHBondContact O-N 2.75Å; A64-R66 PolarHBondContact O-N 2.95Å; R66-Y68 VanDerWaalsContact C-N 3.27Å; R66-Y68 PolarHBondContact O-N 3.23Å; R66-L69 VanDerWaalsContact O-CB 3.32Å; R66-L69 WeakPolarHBondContact O-CB 3.28Å; R66-L79 HydrophobicContact CG-CD1 3.93Å
67G83Confident82.9Confident52 Ų5267.4 Ų67.454%0.53635%0.35SS..Hα-helixtrans-68.6-26.6174.400000113.3K63 A64 I65 P70K63-G67 PolarHBondContact O-N 3.31Å; A64-G67 PolarHBondContact O-N 3.34Å; A64-G67 VanDerWaalsContact O-N 3.16Å; I65-G67 VanDerWaalsContact C-N 3.3Å; I65-G67 PolarHBondContact O-N 3.28Å; G67-P70 WeakPolarHBondContact O-CD 3.32Å
68Y82.3Confident82.7Confident27 Ų2760.7 Ų60.711%0.10632%0.322CS..Hα-helixtrans-92.4-12.2178.9-166.1-97.2000114.1L18 E22 A64 I65 R66 P70 K71 N72 L75L18-Y68 HydrophobicContact CD2-CD2 3.48Å; L18-Y68 VanDerWaalsContact CD2-CD2 3.48Å; L18-Y68 HydrophobicContact CD2-CE2 4.32Å; L18-Y68 HydrophobicContact CD2-CG 3.96Å; E22-Y68 HydrophobicContact CG-CE2 3.84Å; E22-Y68 VanDerWaalsContact CG-OH 3.24Å; E22-Y68 WeakPolarHBondContact CG-OH 3.39Å; E22-Y68 WeakPolarHBondContact OE1-CE2 3.47Å; A64-Y68 PolarHBondContact O-N 2.7Å; A64-Y68 VanDerWaalsContact O-N 3.08Å; I65-Y68 CarbonylContact O-C 3.55Å; I65-Y68 PolarHBondContact O-N 3.29Å; R66-Y68 VanDerWaalsContact C-N 3.27Å; R66-Y68 PolarHBondContact O-N 3.23Å; Y68-P70 VanDerWaalsContact C-N 3.29Å; Y68-K71 HydrophobicContact CD1-CB 4.36Å; Y68-K71 HydrophobicContact CD2-CB 4.24Å; Y68-K71 HydrophobicContact CD2-CD 3.69Å; Y68-K71 HydrophobicContact CE1-CB 4.12Å; Y68-K71 HydrophobicContact CE2-CB 4Å; Y68-K71 HydrophobicContact CE2-CD 3.35Å; Y68-K71 HydrophobicContact CE2-CG 4.32Å; Y68-K71 HydrophobicContact CG-CB 4.45Å; Y68-K71 WeakPolarHBondContact O-CB 3.37Å; Y68-K71 PolarHBondContact O-N 3.09Å; Y68-N72 HydrophobicContact CD1-CB 4.13Å; Y68-N72 HydrophobicContact CE1-CB 3.66Å; Y68-N72 PolarHBondContact O-N 2.78Å; Y68-N72 VanDerWaalsContact O-N 3.13Å; Y68-L75 HydrophobicContact CD1-CD1 3.48Å; Y68-L75 VanDerWaalsContact CD1-CD1 3.48Å; Y68-L75 HydrophobicContact CE1-CD1 3.98Å
69L77.9Confident82.5Confident54 Ų5459.4 Ų59.428%0.28332%0.315SS..THydrogen-bonded Turntrans-49.4-37.7177.9-165.5162.3000114.5I65 R66 K71 N72 P73 N76I65-L69 PolarHBondContact O-N 3.11Å; R66-L69 VanDerWaalsContact O-CB 3.32Å; R66-L69 WeakPolarHBondContact O-CB 3.28Å; L69-K71 PolarHBondContact O-N 2.91Å; L69-N72 CarbonylContact O-C 3.28Å; L69-N72 VanDerWaalsContact O-C 3.28Å; L69-N72 PolarHBondContact O-N 3.3Å; L69-P73 WeakPolarHBondContact O-CA 3.48Å; L69-N76 WeakPolarHBondContact CD1-ND2 3.26Å; L69-N76 WeakPolarHBondContact CD1-OD1 3.36Å; L69-N76 WeakPolarHBondContact CG-ND2 3.38Å
70P77.9Confident82.4Confident112 Ų11261.1 Ų61.173%0.72732%0.32SS*.THydrogen-bonded Turntrans-63-28.1175.1-22.634.6000114.1G67 Y68G67-P70 WeakPolarHBondContact O-CD 3.32Å; Y68-P70 VanDerWaalsContact C-N 3.29Å
71K74.6Confident82.2Confident143 Ų14362.5 Ų62.562%0.62233%0.326SS*.THydrogen-bonded Turntrans-84.9-39.2178-72.5179.3164-1720112E22 Y68 L69E22-K71 IonicContact OE1-NZ 2.99Å; E22-K71 PolarHBondContact OE1-NZ 3.2Å; Y68-K71 HydrophobicContact CD1-CB 4.36Å; Y68-K71 HydrophobicContact CD2-CB 4.24Å; Y68-K71 HydrophobicContact CD2-CD 3.69Å; Y68-K71 HydrophobicContact CE1-CB 4.12Å; Y68-K71 HydrophobicContact CE2-CB 4Å; Y68-K71 HydrophobicContact CE2-CD 3.35Å; Y68-K71 HydrophobicContact CE2-CG 4.32Å; Y68-K71 HydrophobicContact CG-CB 4.45Å; Y68-K71 WeakPolarHBondContact O-CB 3.37Å; Y68-K71 PolarHBondContact O-N 3.09Å; L69-K71 PolarHBondContact O-N 2.91Å
72N74.1Confident82Confident43 Ų4362.5 Ų62.523%0.2333%0.326CS..  trans-140.399.4176.6-165.5-15.1000111.2Y68 L69 Q74 L75Y68-N72 HydrophobicContact CD1-CB 4.13Å; Y68-N72 HydrophobicContact CE1-CB 3.66Å; Y68-N72 PolarHBondContact O-N 2.78Å; Y68-N72 VanDerWaalsContact O-N 3.13Å; L69-N72 CarbonylContact O-C 3.28Å; L69-N72 VanDerWaalsContact O-C 3.28Å; L69-N72 PolarHBondContact O-N 3.3Å; N72-Q74 PolarHBondContact O-N 2.85Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.44Å; N72-Q74 PolarHBondContact OD1-N 3.34Å; N72-Q74 PolarHBondContact OD1-OE1 3.13Å; N72-L75 HydrophobicContact CB-CD1 4.46Å; N72-L75 HydrophobicContact CB-CG 4.45Å
73P77.2Confident81.8Confident83 Ų8363.4 Ų63.454%0.53934%0.337SS..G310 helixtrans-70.3-17.2-17627.7-34.5000113.5L69 L75 N76L69-P73 WeakPolarHBondContact O-CA 3.48Å; P73-L75 PolarHBondContact O-N 2.78Å; P73-N76 PolarHBondContact O-N 2.99Å; P73-N76 PolarHBondContact O-ND2 3.38Å; P73-N76 VanDerWaalsContact O-ND2 3.11Å
74Q75.8Confident81.7Confident95 Ų9559 Ų5944%0.44433%0.332SS..G310 helixtrans-69.7-18.5-176.8-55.4177.2-49.300112.9N72 N76N72-Q74 PolarHBondContact O-N 2.85Å; N72-Q74 WeakPolarHBondContact OD1-CB 3.44Å; N72-Q74 PolarHBondContact OD1-N 3.34Å; N72-Q74 PolarHBondContact OD1-OE1 3.13Å; Q74-N76 PolarHBondContact O-N 3.46Å
75L76.7Confident81.8Confident7 Ų763.1 Ų63.14%0.03736%0.355CS..G310 helixtrans-70.7-8.6177.6-63.9178.7000113.9L21 I65 Y68 N72 P73 C77 V78 Y193L21-L75 HydrophobicContact CD1-CD1 4.02Å; L21-L75 HydrophobicContact CD2-CD1 4.32Å; L21-L75 HydrophobicContact CD2-CD2 4.36Å; I65-L75 HydrophobicContact CG2-CB 3.78Å; I65-L75 HydrophobicContact CG2-CD1 4.45Å; Y68-L75 HydrophobicContact CD1-CD1 3.48Å; Y68-L75 VanDerWaalsContact CD1-CD1 3.48Å; Y68-L75 HydrophobicContact CE1-CD1 3.98Å; N72-L75 HydrophobicContact CB-CD1 4.46Å; N72-L75 HydrophobicContact CB-CG 4.45Å; P73-L75 PolarHBondContact O-N 2.78Å; L75-C77 PolarHBondContact O-N 2.68Å; L75-V78 HydrophobicContact CD2-CG2 4.42Å; L75-V78 WeakPolarHBondContact O-CB 3.34Å; L75-V78 PolarHBondContact O-N 2.84Å; L75-Y193 HydrophobicContact CD2-CE1 3.93Å; L75-Y193 HydrophobicContact CD2-CE2 4.01Å; L75-Y193 VanDerWaalsContact CD2-CZ 3.5Å; L75-Y193 WeakPolarHBondContact CD2-OH 3.36Å
76N80.3Confident82Confident63 Ų6363 Ų6334%0.33735%0.354SS..Hα-helixtrans-56.7-39.1174.5-85.7-47000112.4L69 P73 Q74 V78 L79L69-N76 WeakPolarHBondContact CD1-ND2 3.26Å; L69-N76 WeakPolarHBondContact CD1-OD1 3.36Å; L69-N76 WeakPolarHBondContact CG-ND2 3.38Å; P73-N76 PolarHBondContact O-N 2.99Å; P73-N76 PolarHBondContact O-ND2 3.38Å; P73-N76 VanDerWaalsContact O-ND2 3.11Å; Q74-N76 PolarHBondContact O-N 3.46Å; N76-V78 PolarHBondContact O-N 3.45Å; N76-V78 VanDerWaalsContact O-N 3.12Å; N76-L79 WeakPolarHBondContact O-CB 3.39Å; N76-L79 PolarHBondContact O-N 2.86Å
77C81.3Confident82.2Confident64 Ų6455.7 Ų55.743%0.43233%0.327SS..Hα-helixtrans-58.5-28.8178.4-57.20000112L75 H81 I198L75-C77 PolarHBondContact O-N 2.68Å; C77-H81 PolarHBondContact O-CD2 3.08Å; C77-H81 VanDerWaalsContact O-CD2 3.26Å; C77-I198 HydrophobicContact CB-CD1 3.44Å; C77-I198 VanDerWaalsContact CB-CD1 3.44Å; C77-I198 HydrophobicContact CB-CG1 4.13Å; C77-I198 VanDerWaalsContact O-CD1 3.22Å; C77-I198 WeakPolarHBondContact O-CD1 3.45Å
78V85.1Confident82.6Confident6 Ų653.7 Ų53.74%0.03630%0.304CS..Hα-helixtrans-71.9-33.9-179.9-179.10000111.1I29 I65 L75 N76 D80 H81 I82 F88 Y193 I198I29-V78 HydrophobicContact CD1-CG1 3.89Å; I65-V78 HydrophobicContact CD1-CG1 4.27Å; L75-V78 HydrophobicContact CD2-CG2 4.42Å; L75-V78 WeakPolarHBondContact O-CB 3.34Å; L75-V78 PolarHBondContact O-N 2.84Å; N76-V78 PolarHBondContact O-N 3.45Å; N76-V78 VanDerWaalsContact O-N 3.12Å; V78-D80 VanDerWaalsContact C-N 3.25Å; V78-D80 PolarHBondContact O-N 3.35Å; V78-H81 PolarHBondContact O-N 3.21Å; V78-H81 VanDerWaalsContact O-N 3.08Å; V78-I82 HydrophobicContact CG1-CD1 4.21Å; V78-I82 HydrophobicContact CG1-CG1 4.32Å; V78-I82 WeakPolarHBondContact O-CG1 3.22Å; V78-I82 PolarHBondContact O-N 3.01Å; V78-F88 HydrophobicContact CG1-CE1 3.8Å; V78-F88 HydrophobicContact CG1-CZ 4.18Å; V78-Y193 HydrophobicContact CG2-CD2 3.49Å; V78-Y193 VanDerWaalsContact CG2-CD2 3.49Å; V78-Y193 HydrophobicContact CG2-CE2 3.87Å; V78-Y193 HydrophobicContact CG2-CG 4.11Å; V78-I198 HydrophobicContact CB-CD1 4.48Å; V78-I198 HydrophobicContact CG2-CD1 3.94Å
79L84Confident83.1Confident15 Ų1552.4 Ų52.48%0.07930%0.299CS..Hα-helixtrans-59.2-33.6-172.1-70.2175.4000113.8K62 I65 R66 N76 H81 I82K62-L79 HydrophobicContact CB-CD2 4.12Å; K62-L79 VanDerWaalsContact CE-O 3.32Å; K62-L79 WeakPolarHBondContact CE-O 3.29Å; K62-L79 HydrophobicContact CG-CD2 4Å; K62-L79 PolarHBondContact NZ-O 3Å; I65-L79 HydrophobicContact CB-CD2 3.76Å; I65-L79 HydrophobicContact CD1-CD2 4.27Å; I65-L79 HydrophobicContact CG2-CD1 4.44Å; I65-L79 HydrophobicContact CG2-CD2 3.66Å; I65-L79 HydrophobicContact CG2-CG 3.93Å; R66-L79 HydrophobicContact CG-CD1 3.93Å; N76-L79 WeakPolarHBondContact O-CB 3.39Å; N76-L79 PolarHBondContact O-N 2.86Å; L79-H81 VanDerWaalsContact C-N 3.32Å; L79-I82 HydrophobicContact CD2-CD1 4.35Å
80D85.6Confident83.7Confident127 Ų12750 Ų5068%0.67929%0.286SS*.Hα-helixtrans-73.1-28.4-178.1-65.5-19.2000111.8V78V78-D80 VanDerWaalsContact C-N 3.25Å; V78-D80 PolarHBondContact O-N 3.35Å
81H85.5Confident84.3Confident56 Ų5644.6 Ų44.626%0.25925%0.251SS..Hα-helixtrans-87.1-10.9-178.4-61.4-53.7000114.1I29 C77 V78 L79 T83 K190I29-H81 HydrophobicContact CD1-CB 3.96Å; C77-H81 PolarHBondContact O-CD2 3.08Å; C77-H81 VanDerWaalsContact O-CD2 3.26Å; V78-H81 PolarHBondContact O-N 3.21Å; V78-H81 VanDerWaalsContact O-N 3.08Å; L79-H81 VanDerWaalsContact C-N 3.32Å; H81-T83 PolarHBondContact O-N 3.31Å; H81-K190 PolarHBondContact O-NZ 2.85Å
82I84.4Confident85Confident1 Ų143.3 Ų43.31%0.00525%0.245CC..  trans-78.573.4176.3-51.3168.2000109.8N58 I61 K62 I65 V78 L79 F88N58-I82 HydrophobicContact CB-CG2 3.89Å; I61-I82 HydrophobicContact CG2-CD1 3.8Å; K62-I82 WeakPolarHBondContact CE-O 3.39Å; K62-I82 HydrophobicContact CG-CB 4.5Å; K62-I82 HydrophobicContact CG-CD1 4.21Å; K62-I82 PolarHBondContact NZ-O 2.94Å; I65-I82 HydrophobicContact CD1-CD1 3.59Å; V78-I82 HydrophobicContact CG1-CD1 4.21Å; V78-I82 HydrophobicContact CG1-CG1 4.32Å; V78-I82 WeakPolarHBondContact O-CG1 3.22Å; V78-I82 PolarHBondContact O-N 3.01Å; L79-I82 HydrophobicContact CD2-CD1 4.35Å; I82-F88 HydrophobicContact CD1-CZ 3.8Å; I82-F88 HydrophobicContact CG1-CZ 3.82Å
83T84.8Confident85.5Confident74 Ų7444.4 Ų44.445%0.45425%0.249SC..  trans-136134178.151.50000109.9H81 V86 K190H81-T83 PolarHBondContact O-N 3.31Å; T83-V86 WeakPolarHBondContact O-CG2 3.43Å; T83-K190 PolarHBondContact O-NZ 2.99Å; T83-K190 PolarHBondContact OG1-NZ 2.94Å; T83-K190 VanDerWaalsContact OG1-NZ 3.09Å
84G86.5Confident86Confident54 Ų5445 Ų4556%0.55725%0.248SC*.SBendtrans88.4-159.3-174.200000113.6N58 V86N58-G84 PolarHBondContact ND2-O 3.23Å; G84-V86 PolarHBondContact O-N 3.11Å
85N88.9Confident86.5Confident88 Ų8841.7 Ų41.747%0.47123%0.233SC..SBendtrans-84.986.2177.1-165.24.6000110.3G31 V32G31-N85 WeakPolarHBondContact CA-O 3.34Å; V32-N85 PolarHBondContact N-O 3.37Å; V32-N85 PolarHBondContact O-ND2 3.25Å
86V89.6Confident86.9Confident3 Ų348.4 Ų48.42%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-111.1140.6-170.8179.20000111.5I29 V30 M55 T83 G84I29-V86 HydrophobicContact CG2-CG1 3.33Å; V30-V86 CarbonylContact O-C 3.52Å; V30-V86 WeakPolarHBondContact O-CA 3.43Å; M55-V86 WeakPolarHBondContact CE-O 3.15Å; T83-V86 WeakPolarHBondContact O-CG2 3.43Å; G84-V86 PolarHBondContact O-N 3.11Å
87G90.8Very high87.2Confident2 Ų249.4 Ų49.42%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-122.416317200000112.5V30 M55V30-G87 PolarHBondContact N-O 3.38Å; V30-G87 PolarHBondContact O-N 3.09Å; M55-G87 WeakPolarHBondContact SD-CA 3.32Å
88F91.3Very high87.5Confident10 Ų1046.4 Ų46.44%0.04424%0.24CC..EExtended strand (participates in β ladder)trans-114.3132.7173.7-67.7-87.3000109.4C27 F28 I29 L53 L54 I61 V78 I82 F90C27-F88 VanDerWaalsContact SG-CD1 3.57Å; F28-F88 WeakPolarHBondContact O-CA 3.33Å; I29-F88 HydrophobicContact CG1-CE1 4.15Å; L53-F88 CarbonylContact C-O 3.41Å; L53-F88 WeakPolarHBondContact CA-O 3.38Å; L54-F88 PolarHBondContact N-O 3.08Å; L54-F88 PolarHBondContact O-N 2.96Å; I61-F88 HydrophobicContact CD1-CD2 4.07Å; I61-F88 HydrophobicContact CD1-CE2 3.73Å; I61-F88 HydrophobicContact CG2-CD2 4.39Å; I61-F88 HydrophobicContact CG2-CE2 3.49Å; I61-F88 VanDerWaalsContact CG2-CE2 3.49Å; I61-F88 HydrophobicContact CG2-CZ 3.87Å; V78-F88 HydrophobicContact CG1-CE1 3.8Å; V78-F88 HydrophobicContact CG1-CZ 4.18Å; I82-F88 HydrophobicContact CD1-CZ 3.8Å; I82-F88 HydrophobicContact CG1-CZ 3.82Å; F88-F90 HydrophobicContact CB-CD2 4.35Å; F88-F90 HydrophobicContact CB-CE2 3.67Å; F88-F90 HydrophobicContact CB-CZ 3.85Å; F88-F90 HydrophobicContact CG-CZ 4.36Å
89V92.1Very high87.5Confident0 Ų048.3 Ų48.30%025%0.247CC..EExtended strand (participates in β ladder)trans-117108.4169.1179.20000108C27 F28 V30 L47 A51 E52 L53 I102C27-V89 CarbonylContact C-O 3.59Å; C27-V89 WeakPolarHBondContact CA-O 3.4Å; F28-V89 HydrophobicContact CB-CB 4.22Å; F28-V89 PolarHBondContact N-O 2.92Å; F28-V89 PolarHBondContact O-N 3.4Å; V30-V89 HydrophobicContact CG2-CB 4.23Å; V30-V89 HydrophobicContact CG2-CG2 3.68Å; L47-V89 HydrophobicContact CD1-CG1 4.29Å; A51-V89 HydrophobicContact CB-CG1 3.66Å; E52-V89 CarbonylContact O-C 3.57Å; E52-V89 WeakPolarHBondContact O-CA 3.42Å; L53-V89 HydrophobicContact CB-CG2 4.18Å; L53-V89 HydrophobicContact CD1-CG2 3.88Å; L53-V89 HydrophobicContact CG-CG2 3.9Å; V89-I102 HydrophobicContact CG1-CD1 4.12Å; V89-I102 HydrophobicContact CG2-CD1 4.46Å
90F92.1Very high87.7Confident3 Ų354 Ų541%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-86.4137.7179-63.8-78.8000110F20 L21 Y24 C27 A51 E52 L54 F88F20-F90 HydrophobicContact CB-CD1 4.11Å; F20-F90 HydrophobicContact CB-CD2 3.66Å; F20-F90 HydrophobicContact CB-CE1 4.17Å; F20-F90 HydrophobicContact CB-CE2 3.71Å; F20-F90 HydrophobicContact CB-CG 3.86Å; F20-F90 HydrophobicContact CB-CZ 3.98Å; F20-F90 AromaticContact CD2-CD2 3.78Å; F20-F90 HydrophobicContact CD2-CD2 3.78Å; F20-F90 AromaticContact CD2-CE2 3.85Å; F20-F90 HydrophobicContact CD2-CE2 3.85Å; F20-F90 HydrophobicContact CG-CD2 4.02Å; F20-F90 HydrophobicContact CG-CE2 4.24Å; L21-F90 HydrophobicContact CD2-CE1 3.87Å; L21-F90 HydrophobicContact CD2-CZ 4.32Å; L21-F90 HydrophobicContact CG-CE1 4.43Å; Y24-F90 HydrophobicContact CD1-CB 4.23Å; Y24-F90 HydrophobicContact CD2-CB 3.67Å; Y24-F90 HydrophobicContact CD2-CG 4.34Å; Y24-F90 HydrophobicContact CE2-CB 4.31Å; Y24-F90 HydrophobicContact CG-CB 3.63Å; C27-F90 HydrophobicContact CB-CD1 3.93Å; C27-F90 HydrophobicContact CB-CE1 4.07Å; C27-F90 VanDerWaalsContact SG-CD1 3.59Å; C27-F90 VanDerWaalsContact SG-CE1 3.53Å; A51-F90 CarbonylContact C-O 3.45Å; A51-F90 WeakPolarHBondContact CA-O 3.41Å; A51-F90 VanDerWaalsContact CB-O 3.22Å; A51-F90 WeakPolarHBondContact CB-O 3.48Å; E52-F90 PolarHBondContact N-O 3.32Å; E52-F90 PolarHBondContact O-N 2.69Å; L54-F90 HydrophobicContact CB-CD2 4.42Å; L54-F90 HydrophobicContact CB-CE2 3.95Å; L54-F90 HydrophobicContact CD2-CE2 4.2Å; F88-F90 HydrophobicContact CB-CD2 4.35Å; F88-F90 HydrophobicContact CB-CE2 3.67Å; F88-F90 HydrophobicContact CB-CZ 3.85Å; F88-F90 HydrophobicContact CG-CZ 4.36Å
91T90.3Very high87.7Confident0 Ų048.9 Ų48.90%025%0.247CC..EExtended strand (participates in β ladder)trans-149.2150.8177.8-175.10000111.4K26 F28 R50 E93 L95 V98K26-T91 HydrophobicContact CB-CG2 4.24Å; K26-T91 WeakPolarHBondContact CB-O 3.08Å; K26-T91 PolarHBondContact O-N 2.81Å; K26-T91 VanDerWaalsContact O-N 3.1Å; F28-T91 HydrophobicContact CD2-CG2 4.37Å; F28-T91 HydrophobicContact CE2-CG2 3.93Å; R50-T91 PolarHBondContact O-OG1 3.31Å; T91-E93 PolarHBondContact OG1-N 2.87Å; T91-L95 HydrophobicContact CG2-CD2 4.34Å; T91-V98 HydrophobicContact CG2-CG1 4.48Å; T91-V98 HydrophobicContact CG2-CG2 4.24Å; T91-V98 WeakPolarHBondContact OG1-CG2 3.48Å
92K88.1Confident87.7Confident115 Ų11546.3 Ų46.350%0.524%0.235SC..SBendtrans-100.6-14.2167.6-56.8-177.5-174.2164.30111.6E23 Y24E23-K92 WeakPolarHBondContact O-CE 3.44Å; E23-K92 IonicContact OE1-NZ 2.78Å; E23-K92 PolarHBondContact OE1-NZ 3.32Å; Y24-K92 HydrophobicContact CD1-CB 4.45Å; Y24-K92 HydrophobicContact CD1-CD 4.19Å; Y24-K92 HydrophobicContact CD1-CG 3.37Å; Y24-K92 HydrophobicContact CE1-CD 4.13Å; Y24-K92 HydrophobicContact CE1-CG 3.63Å; Y24-K92 HydrophobicContact CG-CG 4.43Å
93E85.9Confident87.8Confident66 Ų6649 Ų4931%0.30825%0.252SS..SBendtrans-83.3-176.6-171.6-64.2-172.6169.400112.3R50 T91 L95 V98R50-E93 WeakPolarHBondContact CB-OE2 3.34Å; R50-E93 VanDerWaalsContact CD-OE2 3.28Å; R50-E93 WeakPolarHBondContact CD-OE2 3.25Å; R50-E93 WeakPolarHBondContact CG-OE1 3.22Å; R50-E93 WeakPolarHBondContact CG-OE2 3.32Å; R50-E93 IonicContact NE-OE2 2.87Å; T91-E93 PolarHBondContact OG1-N 2.87Å; E93-L95 PolarHBondContact O-N 2.87Å; E93-V98 HydrophobicContact CB-CG2 4.19Å
94N87.6Confident87.8Confident95 Ų9549.1 Ų49.151%0.50826%0.255SS..  trans-61.1125.5174.1-70.1-35.3000110.6R96 E97 V98N94-R96 PolarHBondContact O-N 2.75Å; N94-R96 VanDerWaalsContact O-N 3.12Å; N94-E97 HydrophobicContact CB-CG 4.23Å; N94-E97 PolarHBondContact ND2-OE1 3.46Å; N94-E97 PolarHBondContact O-N 3.41Å; N94-V98 PolarHBondContact O-N 3.26Å
95L85.3Confident87.6Confident26 Ų2651 Ų5114%0.13625%0.248CC..Hα-helixtrans-55.5-34.3179.7-66170.9000112K26 F28 T91 E93 R99 V192 L204K26-L95 HydrophobicContact CB-CD2 4.01Å; K26-L95 HydrophobicContact CD-CD1 4.44Å; K26-L95 HydrophobicContact CD-CD2 3.94Å; K26-L95 HydrophobicContact CD-CG 4.05Å; K26-L95 HydrophobicContact CG-CD2 4.29Å; F28-L95 HydrophobicContact CE1-CD2 4.1Å; F28-L95 HydrophobicContact CE2-CD2 3.76Å; F28-L95 HydrophobicContact CZ-CB 3.82Å; F28-L95 HydrophobicContact CZ-CD2 3.42Å; F28-L95 VanDerWaalsContact CZ-CD2 3.42Å; F28-L95 HydrophobicContact CZ-CG 4.23Å; F28-L95 WeakPolarHBondContact CZ-O 3.36Å; T91-L95 HydrophobicContact CG2-CD2 4.34Å; E93-L95 PolarHBondContact O-N 2.87Å; L95-R99 VanDerWaalsContact O-CB 3.32Å; L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 PolarHBondContact O-N 3.49Å; L95-V192 HydrophobicContact CD1-CG1 3.99Å; L95-V192 HydrophobicContact CD2-CG1 3.89Å; L95-L204 HydrophobicContact CB-CD1 3.85Å; L95-L204 HydrophobicContact CB-CD2 3.82Å
96R86.1Confident87.3Confident149 Ų14952.6 Ų52.656%0.56225%0.251SS*.Hα-helixtrans-67-48.7-177.8-167.2176.5-174.7-178.12.6112.7N94 V98 R99 E100 L204N94-R96 PolarHBondContact O-N 2.75Å; N94-R96 VanDerWaalsContact O-N 3.12Å; R96-V98 PolarHBondContact O-N 2.76Å; R96-R99 WeakPolarHBondContact O-CB 3.32Å; R96-R99 PolarHBondContact O-N 3.08Å; R96-E100 PolarHBondContact O-N 3.05Å; R96-L204 HydrophobicContact CB-CD1 4.22Å; R96-L204 HydrophobicContact CB-CG 4.48Å
97E86.3Confident86.7Confident83 Ų8355 Ų5539%0.38827%0.266SS..Hα-helixtrans-65.9-40-178.7-67.1172.1-139.900111.7N94 R99 E100 S101N94-E97 HydrophobicContact CB-CG 4.23Å; N94-E97 PolarHBondContact ND2-OE1 3.46Å; N94-E97 PolarHBondContact O-N 3.41Å; E97-R99 VanDerWaalsContact C-N 3.32Å; E97-E100 PolarHBondContact O-N 3.19Å; E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.08Å; E97-S101 PolarHBondContact O-OG 2.83Å
98V87.3Confident86.4Confident1 Ų157.5 Ų57.51%0.00629%0.286CS..Hα-helixtrans-65.9-39.4175.6177.90000110.1F28 L47 A51 T91 E93 N94 R96 S101 I102F28-V98 HydrophobicContact CD2-CG1 4.16Å; F28-V98 HydrophobicContact CE2-CB 4.01Å; F28-V98 HydrophobicContact CE2-CG1 3.69Å; L47-V98 HydrophobicContact CD2-CG1 4.42Å; A51-V98 HydrophobicContact CB-CG1 4.11Å; T91-V98 HydrophobicContact CG2-CG1 4.48Å; T91-V98 HydrophobicContact CG2-CG2 4.24Å; T91-V98 WeakPolarHBondContact OG1-CG2 3.48Å; E93-V98 HydrophobicContact CB-CG2 4.19Å; N94-V98 PolarHBondContact O-N 3.26Å; R96-V98 PolarHBondContact O-N 2.76Å; V98-S101 PolarHBondContact O-N 3.37Å; V98-I102 HydrophobicContact CG1-CD1 3.75Å; V98-I102 HydrophobicContact CG1-CG1 4.45Å; V98-I102 WeakPolarHBondContact O-CB 3.47Å; V98-I102 WeakPolarHBondContact O-CD1 3.49Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 3.21Å
99R86.1Confident86Confident46 Ų4657.9 Ų57.917%0.17429%0.291CS..Hα-helixtrans-62.7-46.5174.2173.9170.5179.8-146.2-0.9112.9L95 R96 E97 S101 I102 V103 M189 P201 L204 D205L95-R99 VanDerWaalsContact O-CB 3.32Å; L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 PolarHBondContact O-N 3.49Å; R96-R99 WeakPolarHBondContact O-CB 3.32Å; R96-R99 PolarHBondContact O-N 3.08Å; E97-R99 VanDerWaalsContact C-N 3.32Å; R99-S101 VanDerWaalsContact C-N 3.3Å; R99-S101 PolarHBondContact O-N 2.87Å; R99-I102 PolarHBondContact O-N 3.42Å; R99-V103 HydrophobicContact CG-CG2 4.07Å; R99-V103 WeakPolarHBondContact O-CB 3.2Å; R99-V103 VanDerWaalsContact O-CG2 3.27Å; R99-V103 WeakPolarHBondContact O-CG2 3.47Å; R99-V103 PolarHBondContact O-N 3.17Å; R99-M189 HydrophobicContact CB-CE 3.61Å; R99-M189 HydrophobicContact CB-SD 3.81Å; R99-M189 HydrophobicContact CG-CE 3.76Å; R99-M189 HydrophobicContact CG-SD 3.48Å; R99-M189 WeakPolarHBondContact CG-SD 3.45Å; R99-P201 PolarHBondContact NH1-O 2.97Å; R99-L204 HydrophobicContact CB-CD2 4.13Å; R99-D205 IonicContact CZ-OD1 2.76Å; R99-D205 IonicContact CZ-OD2 2.68Å; R99-D205 IonicContact NH1-OD1 2.69Å; R99-D205 PolarHBondContact NH1-OD1 2.87Å; R99-D205 IonicContact NH1-OD2 3.46Å; R99-D205 PolarHBondContact NH1-OD2 3.09Å; R99-D205 IonicContact NH2-OD1 3.38Å; R99-D205 PolarHBondContact NH2-OD1 3.23Å; R99-D205 IonicContact NH2-OD2 3.36Å; R99-D205 PolarHBondContact NH2-OD2 3.48Å
100E87.4Confident85.7Confident136 Ų13660.2 Ų60.264%0.63631%0.306SS*.Hα-helixtrans-60.5-42.9176-172.9174.4-167.700111.3R96 E97 I102 V103 S104R96-E100 PolarHBondContact O-N 3.05Å; E97-E100 PolarHBondContact O-N 3.19Å; E100-I102 VanDerWaalsContact C-N 3.29Å; E100-I102 PolarHBondContact O-N 3.38Å; E100-V103 PolarHBondContact O-N 3.04Å; E100-S104 WeakPolarHBondContact O-CB 3.47Å; E100-S104 PolarHBondContact O-N 3.47Å; E100-S104 PolarHBondContact O-OG 3.43Å
101S85.4Confident85.4Confident18 Ų1860.1 Ų60.113%0.12631%0.306CS..Hα-helixtrans-60-38.5175.6-58.60000112.2R50 E97 V98 R99 S104R50-S101 PolarHBondContact NH1-OG 3.09Å; E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.08Å; E97-S101 PolarHBondContact O-OG 2.83Å; V98-S101 PolarHBondContact O-N 3.37Å; R99-S101 VanDerWaalsContact C-N 3.3Å; R99-S101 PolarHBondContact O-N 2.87Å; S101-S104 PolarHBondContact O-OG 3.5Å
102I86.3Confident85.1Confident2 Ų266 Ų661%0.0133%0.332CS..Hα-helixtrans-73.8-44.2178-70.9167.2000111.7L47 V89 V98 R99 E100 L187 M189L47-I102 HydrophobicContact CD1-CG1 4.49Å; L47-I102 HydrophobicContact CD2-CD1 4.43Å; L47-I102 HydrophobicContact CD2-CG1 3.9Å; V89-I102 HydrophobicContact CG1-CD1 4.12Å; V89-I102 HydrophobicContact CG2-CD1 4.46Å; V98-I102 HydrophobicContact CG1-CD1 3.75Å; V98-I102 HydrophobicContact CG1-CG1 4.45Å; V98-I102 WeakPolarHBondContact O-CB 3.47Å; V98-I102 WeakPolarHBondContact O-CD1 3.49Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 3.21Å; R99-I102 PolarHBondContact O-N 3.42Å; E100-I102 VanDerWaalsContact C-N 3.29Å; E100-I102 PolarHBondContact O-N 3.38Å; I102-L187 HydrophobicContact CG2-CB 3.47Å; I102-L187 VanDerWaalsContact CG2-CB 3.47Å; I102-L187 HydrophobicContact CG2-CD1 3.92Å; I102-L187 HydrophobicContact CG2-CG 4.34Å; I102-M189 HydrophobicContact CB-CE 3.81Å; I102-M189 HydrophobicContact CD1-CE 3.4Å; I102-M189 VanDerWaalsContact CD1-CE 3.4Å; I102-M189 HydrophobicContact CG1-CE 4.18Å; I102-M189 HydrophobicContact CG2-CE 3.86Å
103V85.7Confident85.1Confident58 Ų5863.5 Ų63.535%0.35233%0.332SS..Hα-helixtrans-73.2-31.7-176.7173.20000111.7R99 E100 K105 K106R99-V103 HydrophobicContact CG-CG2 4.07Å; R99-V103 WeakPolarHBondContact O-CB 3.2Å; R99-V103 VanDerWaalsContact O-CG2 3.27Å; R99-V103 WeakPolarHBondContact O-CG2 3.47Å; R99-V103 PolarHBondContact O-N 3.17Å; E100-V103 PolarHBondContact O-N 3.04Å; V103-K105 VanDerWaalsContact C-N 3.25Å; V103-K105 PolarHBondContact O-N 3.09Å; V103-K106 WeakPolarHBondContact O-CG 3.29Å
104S85.7Confident85.1Confident76 Ų7662 Ų6253%0.53134%0.335SS..Hα-helixtrans-63.5-29.917866.60000112.8E100 S101 K106E100-S104 WeakPolarHBondContact O-CB 3.47Å; E100-S104 PolarHBondContact O-N 3.47Å; E100-S104 PolarHBondContact O-OG 3.43Å; S101-S104 PolarHBondContact O-OG 3.5Å; S104-K106 VanDerWaalsContact C-N 3.27Å; S104-K106 PolarHBondContact O-N 2.91Å; S104-K106 VanDerWaalsContact O-N 3.13Å
105K81.5Confident85Confident94 Ų9459.1 Ų59.141%0.40932%0.318SS..  trans-90.352-178-63.7-61.8-178-176.90113Q39 I43 V103Q39-K105 PolarHBondContact NE2-O 2.88Å; I43-K105 HydrophobicContact CG1-CB 4Å; V103-K105 VanDerWaalsContact C-N 3.25Å; V103-K105 PolarHBondContact O-N 3.09Å
106K81.6Confident85.1Confident121 Ų12163.3 Ų63.353%0.52634%0.34SS..  trans-80.4132.4164.8-73173-174.6-178.20109.5V103 S104V103-K106 WeakPolarHBondContact O-CG 3.29Å; S104-K106 VanDerWaalsContact C-N 3.27Å; S104-K106 PolarHBondContact O-N 2.91Å; S104-K106 VanDerWaalsContact O-N 3.13Å
107V78.9Confident85.1Confident54 Ų5456.2 Ų56.233%0.32731%0.313SS..EExtended strand (participates in β ladder)trans-113.8134.2178.8176.80000108.6Q39 S184 Y185Q39-V107 HydrophobicContact CB-CG2 4.26Å; Q39-V107 HydrophobicContact CG-CB 4.26Å; Q39-V107 HydrophobicContact CG-CG2 3.68Å; V107-S184 WeakPolarHBondContact O-CA 3.31Å; V107-Y185 PolarHBondContact N-O 3.49Å; V107-Y185 PolarHBondContact O-N 3.06Å
108A82.5Confident85.1Confident54 Ų5455.6 Ų55.645%0.44632%0.316SS..EExtended strand (participates in β ladder)trans-67.3135.1172.700000109.8M181 F183A108-M181 HydrophobicContact CB-CB 3.8Å; A108-F183 CarbonylContact C-O 3.53Å; A108-F183 WeakPolarHBondContact CA-O 3.42Å
109A83.8Confident85.1Confident18 Ų1859.9 Ų59.915%0.14934%0.338CS..EExtended strand (participates in β ladder)trans-129.5147.2-176.400000110.7M181 F183 Y185A109-M181 WeakPolarHBondContact O-CB 3.47Å; A109-F183 PolarHBondContact N-O 3.4Å; A109-Y185 HydrophobicContact CB-CD2 3.32Å; A109-Y185 HydrophobicContact CB-CE2 3.63Å
110P85.3Confident85.3Confident50 Ų5062.1 Ų62.133%0.32535%0.353SS..  trans-65.5145.8178.226.9-34.2000111.3K112 N176P110-K112 PolarHBondContact O-N 3.2Å; P110-N176 WeakPolarHBondContact CB-OD1 3.4Å
111A85.8Confident85.4Confident0 Ų055.9 Ų55.90%033%0.325CS..  trans-68.3130.6167.500000109.2V167 A172 L175 N176 P182 F183A111-V167 HydrophobicContact CB-CG1 4.41Å; A111-A172 HydrophobicContact CB-CB 4.3Å; A111-L175 HydrophobicContact CB-CD1 4Å; A111-N176 PolarHBondContact O-ND2 3.41Å; A111-N176 VanDerWaalsContact O-ND2 3.09Å; A111-P182 HydrophobicContact CB-CG 4.27Å; A111-F183 HydrophobicContact CB-CD2 4.18Å; A111-F183 HydrophobicContact CB-CE2 3.66Å; A111-F183 HydrophobicContact CB-CZ 4.31Å
112K85.5Confident85.6Confident125 Ų12558.3 Ų58.354%0.54334%0.339SS..  trans-112.2141.7173.4-51.9178.5178.3172.40109.3P110 G114 M115P110-K112 PolarHBondContact O-N 3.2Å; K112-G114 PolarHBondContact O-N 3.37Å; K112-M115 HydrophobicContact CB-CE 3.63Å; K112-M115 HydrophobicContact CB-CG 3.95Å; K112-M115 HydrophobicContact CB-SD 3.6Å; K112-M115 HydrophobicContact CD-CE 4.49Å; K112-M115 HydrophobicContact CD-SD 3.86Å; K112-M115 HydrophobicContact CG-CE 3.93Å; K112-M115 HydrophobicContact CG-SD 3.91Å; K112-M115 PolarHBondContact O-N 3.41Å
113A86.5Confident85.8Confident61 Ų6158.2 Ų58.250%0.50434%0.338SS..THydrogen-bonded Turntrans-58.1135.1178.100000111.2M115 A169A113-M115 VanDerWaalsContact C-N 3.32Å; A113-M115 PolarHBondContact O-N 3.16Å; A113-A169 HydrophobicContact CB-CB 4.04Å
114G86.9Confident86Confident36 Ų3658.5 Ų58.537%0.37134%0.341SS..THydrogen-bonded Turntrans81.7-1.1174.100000116.6K112 V167K112-G114 PolarHBondContact O-N 3.37Å; G114-V167 PolarHBondContact N-O 2.94Å
115M85.4Confident86.2Confident33 Ų3357 Ų5716%0.16333%0.334CS..PPolyproline II helixtrans-76.1154.1169.5-55.9-170.5-48.700110.5K112 A113 K166 V167 F183K112-M115 HydrophobicContact CB-CE 3.63Å; K112-M115 HydrophobicContact CB-CG 3.95Å; K112-M115 HydrophobicContact CB-SD 3.6Å; K112-M115 HydrophobicContact CD-CE 4.49Å; K112-M115 HydrophobicContact CD-SD 3.86Å; K112-M115 HydrophobicContact CG-CE 3.93Å; K112-M115 HydrophobicContact CG-SD 3.91Å; K112-M115 PolarHBondContact O-N 3.41Å; A113-M115 VanDerWaalsContact C-N 3.32Å; A113-M115 PolarHBondContact O-N 3.16Å; M115-K166 WeakPolarHBondContact O-CA 2.91Å; M115-V167 WeakPolarHBondContact O-CG2 3.34Å; M115-V167 PolarHBondContact O-N 3.33Å; M115-F183 HydrophobicContact CE-CD2 3.97Å; M115-F183 HydrophobicContact CE-CE2 3.93Å
116I88.3Confident86.6Confident115 Ų11558.4 Ų58.459%0.5934%0.342SS*.BIsolated β-bridgetrans-80.5128.4169.8-60.4171.5000108P118 N164I116-P118 WeakPolarHBondContact O-CD 3.31Å; I116-N164 HydrophobicContact CG2-CB 4.48Å
117A86Confident87Confident0 Ų055.7 Ų55.70%033%0.333CS..PPolyproline II helixtrans-74.5124.9178.900000111.5I161 N164 E165 V167 F183A117-I161 HydrophobicContact CB-CG2 3.4Å; A117-N164 PolarHBondContact O-N 2.95Å; A117-E165 PolarHBondContact N-O 3.45Å; A117-V167 HydrophobicContact CB-CG2 4.09Å; A117-F183 HydrophobicContact CB-CE1 3.89Å; A117-F183 HydrophobicContact CB-CZ 3.79Å
118P86.2Confident87.4Confident70 Ų7054.5 Ų54.546%0.45533%0.326SS..SBendtrans-77.3-23.1177.629.9-35.8000113.9I116 F183I116-P118 WeakPolarHBondContact O-CD 3.31Å; P118-F183 HydrophobicContact CG-CD1 3.87Å; P118-F183 HydrophobicContact CG-CE1 4.37Å; P118-F183 HydrophobicContact CG-CG 4.32Å
119I87.3Confident87.7Confident90 Ų9054.6 Ų54.646%0.46233%0.332SS..SBendtrans-139.3149.2-174.9-56175.3000108.1
120D90.1Very high87.9Confident93 Ų9355.5 Ų55.550%0.49733%0.334SS..  trans-59.4133.7169.9-64.4-34.4000110.9I161 K162 A163D120-I161 WeakPolarHBondContact CA-O 3.33Å; D120-K162 WeakPolarHBondContact OD1-CA 3.2Å; D120-A163 WeakPolarHBondContact OD1-CB 3.35Å; D120-A163 PolarHBondContact OD1-N 3.34Å
121V89.5Confident88.2Confident5 Ų555.9 Ų55.93%0.0334%0.338CS..EExtended strand (participates in β ladder)trans-111.8111.6178.9-173.70000109.8L160 I161 L175 P182 F183V121-L160 PolarHBondContact O-N 3.41Å; V121-I161 HydrophobicContact CB-CB 4.1Å; V121-I161 HydrophobicContact CB-CD1 4.24Å; V121-I161 HydrophobicContact CG2-CB 4.22Å; V121-I161 HydrophobicContact CG2-CD1 4.18Å; V121-I161 PolarHBondContact N-O 3.07Å; V121-I161 PolarHBondContact O-N 2.94Å; V121-L175 HydrophobicContact CG1-CD1 4.09Å; V121-L175 HydrophobicContact CG1-CD2 3.86Å; V121-P182 HydrophobicContact CB-CB 4.22Å; V121-P182 HydrophobicContact CG1-CB 3.57Å; V121-P182 HydrophobicContact CG1-CG 3.96Å; V121-P182 HydrophobicContact CG2-CB 3.6Å; V121-P182 HydrophobicContact CG2-CG 3.9Å; V121-F183 HydrophobicContact CG2-CE1 3.73Å; V121-F183 HydrophobicContact CG2-CZ 4.36Å
122T90.2Very high88.4Confident69 Ų6958 Ų5842%0.42335%0.352SS..EExtended strand (participates in β ladder)trans-97.9136.5170.145.90000110.6I158 H159T122-I158 WeakPolarHBondContact CA-O 3.35Å; T122-H159 WeakPolarHBondContact CG2-CE1 3.47Å; T122-H159 WeakPolarHBondContact CG2-ND1 3.22Å
123L89.7Confident88.6Confident1 Ų158.1 Ų58.11%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-89.3123.5164.1-79.5-177.5000109.4I143 I154 D157 I158 L160 L174 L175 L178 I180L123-I143 HydrophobicContact CD1-CD1 4.01Å; L123-I154 HydrophobicContact CD1-CD1 4.31Å; L123-D157 VanDerWaalsContact O-CA 3.28Å; L123-D157 WeakPolarHBondContact O-CA 3.32Å; L123-I158 PolarHBondContact N-O 2.7Å; L123-I158 PolarHBondContact O-N 3.3Å; L123-I158 VanDerWaalsContact O-N 3.1Å; L123-L160 HydrophobicContact CD1-CD1 3.38Å; L123-L160 HydrophobicContact CD1-CD2 4.03Å; L123-L160 HydrophobicContact CD1-CG 3.78Å; L123-L160 HydrophobicContact CD2-CD1 4.2Å; L123-L160 HydrophobicContact CG-CD1 3.46Å; L123-L160 VanDerWaalsContact CG-CD1 3.46Å; L123-L160 HydrophobicContact CG-CG 3.78Å; L123-L174 HydrophobicContact CD1-CD2 3.84Å; L123-L175 HydrophobicContact CD2-CD2 3.77Å; L123-L178 HydrophobicContact CD1-CD1 4.22Å; L123-L178 HydrophobicContact CD2-CD1 3.67Å; L123-I180 HydrophobicContact CD2-CD1 3.67Å
124P89.3Confident88.6Confident63 Ų6359.6 Ų59.641%0.40935%0.353SS..PPolyproline II helixtrans-75.9152174.931-34.1000112.1Q126 D157P124-Q126 PolarHBondContact O-N 3.49Å; P124-D157 VanDerWaalsContact CA-OD1 3.28Å; P124-D157 WeakPolarHBondContact CA-OD1 3.21Å
125A90.6Very high88.6Confident46 Ų4659.4 Ų59.438%0.3835%0.345SS..SBendtrans-64.998.2169.800000109.9I154 D157A125-I154 WeakPolarHBondContact CA-O 3.35Å; A125-D157 PolarHBondContact N-OD1 3.33Å
126Q90.3Very high88.8Confident122 Ų12260.9 Ų60.957%0.5736%0.359SS*.  trans-147.1149.7-174.9-178.35455.100110.4P124 T128 I154P124-Q126 PolarHBondContact O-N 3.49Å; Q126-T128 PolarHBondContact O-N 3.41Å; Q126-I154 PolarHBondContact O-N 3.42Å
127N89.9Confident88.6Confident65 Ų6559.2 Ų59.235%0.34835%0.347SS..BIsolated β-bridgetrans-68.8118.1167.3-173.90.8000109.6G129 T151 I152N127-G129 VanDerWaalsContact C-N 3.34Å; N127-G129 PolarHBondContact O-N 3.43Å; N127-G129 PolarHBondContact OD1-N 2.97Å; N127-T151 VanDerWaalsContact CG-OG1 3.29Å; N127-T151 PolarHBondContact ND2-OG1 3.39Å; N127-T151 WeakPolarHBondContact OD1-CB 3.5Å; N127-T151 PolarHBondContact OD1-OG1 3.48Å; N127-I152 PolarHBondContact OD1-O 2.89Å
128T86.9Confident88.8Confident28 Ų2859.3 Ų59.317%0.17235%0.348CS..  trans-77.3-18.5-172.9650000113.6Q126 L130 F138 I152 I154 L178Q126-T128 PolarHBondContact O-N 3.41Å; T128-L130 PolarHBondContact O-N 2.75Å; T128-L130 PolarHBondContact OG1-N 3.45Å; T128-F138 HydrophobicContact CG2-CE1 4.22Å; T128-F138 HydrophobicContact CG2-CZ 3.93Å; T128-I152 WeakPolarHBondContact CB-O 3.48Å; T128-I152 PolarHBondContact N-O 3.47Å; T128-I152 PolarHBondContact OG1-O 3.11Å; T128-I154 HydrophobicContact CG2-CD1 3.7Å; T128-I154 HydrophobicContact CG2-CG1 3.8Å; T128-L178 VanDerWaalsContact CB-CD2 3.48Å; T128-L178 HydrophobicContact CG2-CD2 3.54Å
129G88.7Confident88.9Confident56 Ų5662.4 Ų62.458%0.57736%0.356SS*.  trans70.34.9-174.400000114.9N127N127-G129 VanDerWaalsContact C-N 3.34Å; N127-G129 PolarHBondContact O-N 3.43Å; N127-G129 PolarHBondContact OD1-N 2.97Å
130L88.4Confident89Confident37 Ų3762.1 Ų62.119%0.19437%0.367CS..  trans-83.2147.3178.6-65.1172.8000112T128 F138 T151 I152 L178T128-L130 PolarHBondContact O-N 2.75Å; T128-L130 PolarHBondContact OG1-N 3.45Å; L130-F138 HydrophobicContact CD1-CE2 4.03Å; L130-F138 HydrophobicContact CD1-CZ 3.99Å; L130-T151 WeakPolarHBondContact O-CA 3.45Å; L130-I152 HydrophobicContact CB-CD1 4.36Å; L130-I152 PolarHBondContact O-N 3.16Å; L130-L178 HydrophobicContact CD1-CD2 4.01Å
131S90.8Very high88.8Confident59 Ų5959.3 Ų59.341%0.41335%0.352SS..  trans-62.4148.4174.1-1760000111.5D133 K134 I152S131-D133 PolarHBondContact O-N 2.67Å; S131-D133 PolarHBondContact OG-OD2 3.01Å; S131-K134 PolarHBondContact O-N 3.19Å; S131-K134 VanDerWaalsContact O-N 3.12Å; S131-I152 WeakPolarHBondContact O-CD1 3.18Å
132P89.2Confident88.6Confident43 Ų4364 Ų6428%0.27939%0.385SS..G310 helixtrans-58.2-20178.9-24.636.7000114.5K134 T135 I147 G150P132-K134 PolarHBondContact O-N 3.44Å; P132-K134 VanDerWaalsContact O-N 3.14Å; P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 WeakPolarHBondContact O-CG2 3.42Å; P132-T135 PolarHBondContact O-N 3.03Å; P132-T135 VanDerWaalsContact O-N 3.1Å; P132-T135 PolarHBondContact O-OG1 3.46Å; P132-I147 HydrophobicContact CB-CD1 4.16Å; P132-I147 HydrophobicContact CG-CG2 4.24Å; P132-G150 VanDerWaalsContact CD-O 3.25Å; P132-G150 WeakPolarHBondContact CD-O 3.38Å; P132-G150 WeakPolarHBondContact CG-O 3.37Å
133D90.8Very high88.6Confident128 Ų12861 Ų6168%0.68437%0.366SS*.G310 helixtrans-60.4-23.6176.9-49.5-52.4000113.1S131S131-D133 PolarHBondContact O-N 2.67Å; S131-D133 PolarHBondContact OG-OD2 3.01Å
134K86.2Confident88.6Confident92 Ų9263.9 Ų63.940%0.439%0.385SS..G310 helixtrans-91.55.4-179.4-59.3-61.9-177.2-176.10113.5S131 P132 S136 F137 I152S131-K134 PolarHBondContact O-N 3.19Å; S131-K134 VanDerWaalsContact O-N 3.12Å; P132-K134 PolarHBondContact O-N 3.44Å; P132-K134 VanDerWaalsContact O-N 3.14Å; K134-S136 PolarHBondContact O-N 2.92Å; K134-F137 HydrophobicContact CB-CD2 4.22Å; K134-F137 HydrophobicContact CD-CD2 3.96Å; K134-F137 HydrophobicContact CD-CE2 3.7Å; K134-F137 PolarHBondContact O-N 3.08Å; K134-F137 VanDerWaalsContact O-N 3.15Å; K134-I152 HydrophobicContact CB-CD1 4.29Å
135T86.9Confident88.7Confident32 Ų3262.6 Ų62.620%0.19638%0.376CS..Hα-helixtrans-57.4-30.4177.846.30000113.3P132 F137 F138 Q139 I147 I152P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 WeakPolarHBondContact O-CG2 3.42Å; P132-T135 PolarHBondContact O-N 3.03Å; P132-T135 VanDerWaalsContact O-N 3.1Å; P132-T135 PolarHBondContact O-OG1 3.46Å; T135-F137 VanDerWaalsContact C-N 3.25Å; T135-F137 PolarHBondContact O-N 3.27Å; T135-F138 PolarHBondContact O-N 3.14Å; T135-F138 VanDerWaalsContact O-N 3.15Å; T135-Q139 WeakPolarHBondContact O-CG 3.49Å; T135-Q139 PolarHBondContact O-N 3.41Å; T135-Q139 VanDerWaalsContact O-N 3.1Å; T135-I147 HydrophobicContact CG2-CD1 4.28Å; T135-I147 HydrophobicContact CG2-CG1 4.31Å; T135-I152 HydrophobicContact CG2-CD1 3.59Å; T135-I152 HydrophobicContact CG2-CG1 3.76Å
136S88.8Confident88.8Confident64 Ų6466.1 Ų66.145%0.44838%0.383SS..Hα-helixtrans-57.1-34176.755.10000113.7K134 A140K134-S136 PolarHBondContact O-N 2.92Å; S136-A140 WeakPolarHBondContact O-CB 3.43Å; S136-A140 PolarHBondContact O-N 3.18Å
137F85.7Confident88.8Confident81 Ų8165 Ų6536%0.35538%0.379SS..Hα-helixtrans-68.2-38.9177.9-71.5-82.9000112.4K134 T135 L141 M177K134-F137 HydrophobicContact CB-CD2 4.22Å; K134-F137 HydrophobicContact CD-CD2 3.96Å; K134-F137 HydrophobicContact CD-CE2 3.7Å; K134-F137 PolarHBondContact O-N 3.08Å; K134-F137 VanDerWaalsContact O-N 3.15Å; T135-F137 VanDerWaalsContact C-N 3.25Å; T135-F137 PolarHBondContact O-N 3.27Å; F137-L141 PolarHBondContact O-N 2.93Å; F137-M177 HydrophobicContact CD1-CE 4.34Å; F137-M177 HydrophobicContact CG-CE 4.28Å
138F89.5Confident88.8Confident1 Ų163.2 Ų63.20%0.00437%0.372CS..Hα-helixtrans-71.6-38.4178.2-66.9-86.3000111.5T128 L130 T135 L141 S142 I143 T145 I152 I154 L174 L178T128-F138 HydrophobicContact CG2-CE1 4.22Å; T128-F138 HydrophobicContact CG2-CZ 3.93Å; L130-F138 HydrophobicContact CD1-CE2 4.03Å; L130-F138 HydrophobicContact CD1-CZ 3.99Å; T135-F138 PolarHBondContact O-N 3.14Å; T135-F138 VanDerWaalsContact O-N 3.15Å; F138-L141 PolarHBondContact O-N 3.44Å; F138-S142 PolarHBondContact O-N 2.91Å; F138-I143 HydrophobicContact CB-CB 4.26Å; F138-I143 HydrophobicContact CD1-CB 4.26Å; F138-I143 HydrophobicContact CD1-CD1 4.06Å; F138-I143 HydrophobicContact CD1-CG2 3.95Å; F138-I143 PolarHBondContact O-N 2.99Å; F138-T145 HydrophobicContact CB-CG2 3.71Å; F138-T145 HydrophobicContact CD1-CG2 3.72Å; F138-T145 HydrophobicContact CD2-CG2 4.47Å; F138-T145 HydrophobicContact CE1-CG2 4.44Å; F138-T145 HydrophobicContact CG-CG2 3.72Å; F138-I152 HydrophobicContact CD2-CD1 3.98Å; F138-I152 HydrophobicContact CD2-CG2 4.08Å; F138-I152 HydrophobicContact CE2-CB 4.5Å; F138-I152 HydrophobicContact CE2-CD1 3.79Å; F138-I152 HydrophobicContact CE2-CG2 4.03Å; F138-I152 HydrophobicContact CZ-CG2 4.43Å; F138-I154 HydrophobicContact CE1-CD1 4.09Å; F138-I154 HydrophobicContact CE1-CG1 4.19Å; F138-L174 HydrophobicContact CD1-CD1 4.22Å; F138-L174 HydrophobicContact CD1-CD2 4.35Å; F138-L174 HydrophobicContact CE1-CD1 3.61Å; F138-L174 HydrophobicContact CE1-CD2 4.23Å; F138-L174 HydrophobicContact CE2-CD1 4.26Å; F138-L174 HydrophobicContact CZ-CD1 3.63Å; F138-L178 HydrophobicContact CZ-CD2 4.39Å
139Q88.5Confident88.9Confident136 Ų13672.2 Ų72.264%0.63641%0.409SS*.Hα-helixtrans-63.5-41.4175-69.9176.1-8.900112.1T135 L141 S142T135-Q139 WeakPolarHBondContact O-CG 3.49Å; T135-Q139 PolarHBondContact O-N 3.41Å; T135-Q139 VanDerWaalsContact O-N 3.1Å; Q139-L141 PolarHBondContact O-N 3.35Å; Q139-S142 PolarHBondContact O-N 3.21Å
140A88.4Confident89Confident83 Ų8371.6 Ų71.669%0.68640%0.403SS*.Hα-helixtrans-62.3-29.5177.800000113.3S136S136-A140 WeakPolarHBondContact O-CB 3.43Å; S136-A140 PolarHBondContact O-N 3.18Å
141L86.5Confident89.1Confident34 Ų3471.5 Ų71.518%0.17840%0.404CS..THydrogen-bonded Turntrans-93.69.2176.5-68.5172.2000113F137 F138 Q139 I143 E171 L174F137-L141 PolarHBondContact O-N 2.93Å; F138-L141 PolarHBondContact O-N 3.44Å; Q139-L141 PolarHBondContact O-N 3.35Å; L141-I143 HydrophobicContact CB-CD1 3.77Å; L141-I143 HydrophobicContact CB-CG1 4Å; L141-I143 HydrophobicContact CD1-CD1 4.23Å; L141-I143 PolarHBondContact O-N 3.3Å; L141-E171 HydrophobicContact CD2-CG 3.89Å; L141-L174 HydrophobicContact CD1-CB 4.08Å; L141-L174 HydrophobicContact CD1-CD2 3.54Å; L141-L174 HydrophobicContact CD1-CG 4.42Å
142S86.1Confident89Confident104 Ų10468.7 Ų68.773%0.72738%0.384SS*.THydrogen-bonded Turntrans56.532.7-177.6-55.70000114.1F138 Q139 P144F138-S142 PolarHBondContact O-N 2.91Å; Q139-S142 PolarHBondContact O-N 3.21Å; S142-P144 VanDerWaalsContact O-CD 3.24Å; S142-P144 WeakPolarHBondContact O-CD 3.44Å
143I89.1Confident89.1Confident6 Ų670 Ų703%0.03139%0.387CS..  trans-90.2111.6178.6-62.1165.4000109.4L123 F138 L141 T145 I154 I158 L160 L174L123-I143 HydrophobicContact CD1-CD1 4.01Å; F138-I143 HydrophobicContact CB-CB 4.26Å; F138-I143 HydrophobicContact CD1-CB 4.26Å; F138-I143 HydrophobicContact CD1-CD1 4.06Å; F138-I143 HydrophobicContact CD1-CG2 3.95Å; F138-I143 PolarHBondContact O-N 2.99Å; L141-I143 HydrophobicContact CB-CD1 3.77Å; L141-I143 HydrophobicContact CB-CG1 4Å; L141-I143 HydrophobicContact CD1-CD1 4.23Å; L141-I143 PolarHBondContact O-N 3.3Å; I143-T145 HydrophobicContact CG2-CG2 3.94Å; I143-T145 PolarHBondContact O-N 3.14Å; I143-T145 VanDerWaalsContact O-N 3.16Å; I143-I154 HydrophobicContact CG2-CG1 4.43Å; I143-I154 HydrophobicContact CG2-CG2 4.2Å; I143-I158 HydrophobicContact CB-CD1 4.07Å; I143-I158 HydrophobicContact CG1-CD1 4.15Å; I143-I158 HydrophobicContact CG2-CD1 3.7Å; I143-L160 HydrophobicContact CD1-CD2 3.8Å; I143-L160 HydrophobicContact CG1-CD2 4.24Å; I143-L174 HydrophobicContact CD1-CD2 3.44Å; I143-L174 VanDerWaalsContact CD1-CD2 3.44Å
144P90.7Very high89.1Confident61 Ų6164.2 Ų64.240%0.39636%0.356SS..  trans-59.6116170.722.2-36.4000111.5S142 L155 I158S142-P144 VanDerWaalsContact O-CD 3.24Å; S142-P144 WeakPolarHBondContact O-CD 3.44Å; P144-L155 HydrophobicContact CB-CD1 4.4Å; P144-L155 PolarHBondContact O-N 3.12Å; P144-I158 HydrophobicContact CG-CD1 3.93Å
145T90Very high89.3Confident36 Ų3663.9 Ų63.922%0.22136%0.358CS..EExtended strand (participates in β ladder)trans-124.9153.3176.553.40000111F138 I143 I152 E153 I154F138-T145 HydrophobicContact CB-CG2 3.71Å; F138-T145 HydrophobicContact CD1-CG2 3.72Å; F138-T145 HydrophobicContact CD2-CG2 4.47Å; F138-T145 HydrophobicContact CE1-CG2 4.44Å; F138-T145 HydrophobicContact CG-CG2 3.72Å; I143-T145 HydrophobicContact CG2-CG2 3.94Å; I143-T145 PolarHBondContact O-N 3.14Å; I143-T145 VanDerWaalsContact O-N 3.16Å; T145-I152 HydrophobicContact CG2-CG2 3.63Å; T145-E153 CarbonylContact C-O 3.52Å; T145-E153 VanDerWaalsContact CA-O 3.23Å; T145-E153 WeakPolarHBondContact CA-O 3.39Å; T145-E153 WeakPolarHBondContact CB-O 3.49Å; T145-I154 HydrophobicContact CG2-CG1 4.25Å
146K92.3Very high89.5Confident121 Ų12167.3 Ų67.353%0.52638%0.375SS..EExtended strand (participates in β ladder)trans-125.6140.8173.3-175.6178.3178.2-177.30108.9S148 E153 L155K146-S148 PolarHBondContact O-N 3Å; K146-E153 PolarHBondContact N-O 2.95Å; K146-E153 WeakPolarHBondContact O-CB 3.37Å; K146-E153 PolarHBondContact O-N 2.86Å; K146-L155 HydrophobicContact CB-CD1 4.42Å; K146-L155 HydrophobicContact CB-CD2 3.91Å; K146-L155 HydrophobicContact CB-CG 4.22Å; K146-L155 HydrophobicContact CD-CD2 4.3Å
147I90.9Very high89.6Confident97 Ų9769.7 Ų69.750%0.49738%0.382SS..EExtended strand (participates in β ladder)trans-85.5112173.5-58.9166.9000107.5P132 T135 T151P132-I147 HydrophobicContact CB-CD1 4.16Å; P132-I147 HydrophobicContact CG-CG2 4.24Å; T135-I147 HydrophobicContact CG2-CD1 4.28Å; T135-I147 HydrophobicContact CG2-CG1 4.31Å; I147-T151 WeakPolarHBondContact CA-O 3.31Å
148S89.7Confident89.7Confident28 Ų2867.5 Ų67.520%0.19637%0.374CS..EExtended strand (participates in β ladder)trans-120.1122.2179.2-700000108.4K146 G150 T151 E153K146-S148 PolarHBondContact O-N 3Å; S148-G150 PolarHBondContact O-N 3.13Å; S148-G150 VanDerWaalsContact O-N 3.13Å; S148-T151 PolarHBondContact N-O 2.89Å; S148-T151 PolarHBondContact O-N 3.39Å; S148-T151 VanDerWaalsContact O-N 3.11Å; S148-T151 PolarHBondContact O-OG1 3.46Å; S148-E153 WeakPolarHBondContact CB-OE2 3.41Å; S148-E153 PolarHBondContact OG-OE2 2.9Å
149K89.4Confident89.7Confident217 Ų21774 Ų7494%0.94340%0.404SS*.THydrogen-bonded Turntrans53.233.6178.3-56.9178.8179.2176.80114.5
150G90.1Very high89.6Confident44 Ų4468.6 Ų68.645%0.45438%0.38SS..THydrogen-bonded Turntrans82.43.8177.900000115.4P132 S148P132-G150 VanDerWaalsContact CD-O 3.25Å; P132-G150 WeakPolarHBondContact CD-O 3.38Å; P132-G150 WeakPolarHBondContact CG-O 3.37Å; S148-G150 PolarHBondContact O-N 3.13Å; S148-G150 VanDerWaalsContact O-N 3.13Å
151T90.6Very high89.6Confident34 Ų3464.7 Ų64.721%0.20935%0.347CS..EExtended strand (participates in β ladder)trans-120.4159.5172.260.70000111.3N127 L130 I147 S148N127-T151 VanDerWaalsContact CG-OG1 3.29Å; N127-T151 PolarHBondContact ND2-OG1 3.39Å; N127-T151 WeakPolarHBondContact OD1-CB 3.5Å; N127-T151 PolarHBondContact OD1-OG1 3.48Å; L130-T151 WeakPolarHBondContact O-CA 3.45Å; I147-T151 WeakPolarHBondContact CA-O 3.31Å; S148-T151 PolarHBondContact N-O 2.89Å; S148-T151 PolarHBondContact O-N 3.39Å; S148-T151 VanDerWaalsContact O-N 3.11Å; S148-T151 PolarHBondContact O-OG1 3.46Å
152I90.2Very high89.7Confident0 Ų069.8 Ų69.80%037%0.368CS..EExtended strand (participates in β ladder)trans-81.5124.1178.6-54.5170.9000110N127 T128 L130 S131 K134 T135 F138 T145N127-I152 PolarHBondContact OD1-O 2.89Å; T128-I152 WeakPolarHBondContact CB-O 3.48Å; T128-I152 PolarHBondContact N-O 3.47Å; T128-I152 PolarHBondContact OG1-O 3.11Å; L130-I152 HydrophobicContact CB-CD1 4.36Å; L130-I152 PolarHBondContact O-N 3.16Å; S131-I152 WeakPolarHBondContact O-CD1 3.18Å; K134-I152 HydrophobicContact CB-CD1 4.29Å; T135-I152 HydrophobicContact CG2-CD1 3.59Å; T135-I152 HydrophobicContact CG2-CG1 3.76Å; F138-I152 HydrophobicContact CD2-CD1 3.98Å; F138-I152 HydrophobicContact CD2-CG2 4.08Å; F138-I152 HydrophobicContact CE2-CB 4.5Å; F138-I152 HydrophobicContact CE2-CD1 3.79Å; F138-I152 HydrophobicContact CE2-CG2 4.03Å; F138-I152 HydrophobicContact CZ-CG2 4.43Å; T145-I152 HydrophobicContact CG2-CG2 3.63Å
153E90.9Very high89.8Confident71 Ų7166.7 Ų66.733%0.33235%0.348SS..EExtended strand (participates in β ladder)trans-111.2129.9176.1-173.3173.3-156.900109.9T145 K146 S148T145-E153 CarbonylContact C-O 3.52Å; T145-E153 VanDerWaalsContact CA-O 3.23Å; T145-E153 WeakPolarHBondContact CA-O 3.39Å; T145-E153 WeakPolarHBondContact CB-O 3.49Å; K146-E153 PolarHBondContact N-O 2.95Å; K146-E153 WeakPolarHBondContact O-CB 3.37Å; K146-E153 PolarHBondContact O-N 2.86Å; S148-E153 WeakPolarHBondContact CB-OE2 3.41Å; S148-E153 PolarHBondContact OG-OE2 2.9Å
154I90.9Very high89.8Confident6 Ų672.8 Ų72.83%0.03138%0.381CS..EExtended strand (participates in β ladder)trans-83.7126.7174.3-61.1168.4000108L123 A125 Q126 T128 F138 I143 T145 N156L123-I154 HydrophobicContact CD1-CD1 4.31Å; A125-I154 WeakPolarHBondContact CA-O 3.35Å; Q126-I154 PolarHBondContact O-N 3.42Å; T128-I154 HydrophobicContact CG2-CD1 3.7Å; T128-I154 HydrophobicContact CG2-CG1 3.8Å; F138-I154 HydrophobicContact CE1-CD1 4.09Å; F138-I154 HydrophobicContact CE1-CG1 4.19Å; I143-I154 HydrophobicContact CG2-CG1 4.43Å; I143-I154 HydrophobicContact CG2-CG2 4.2Å; T145-I154 HydrophobicContact CG2-CG1 4.25Å; I154-N156 VanDerWaalsContact CG2-O 3.31Å; I154-N156 WeakPolarHBondContact CG2-O 3.42Å
155L90.6Very high89.8Confident85 Ų8574.7 Ų74.745%0.44539%0.385SS..  trans-78-43-173.4-70.6173.9000113.5P144 K146P144-L155 HydrophobicContact CB-CD1 4.4Å; P144-L155 PolarHBondContact O-N 3.12Å; K146-L155 HydrophobicContact CB-CD1 4.42Å; K146-L155 HydrophobicContact CB-CD2 3.91Å; K146-L155 HydrophobicContact CB-CG 4.22Å; K146-L155 HydrophobicContact CD-CD2 4.3Å
156N90.3Very high89.8Confident104 Ų10479.9 Ų79.956%0.55640%0.404SS*.SBendtrans-130.6154.8-172.4-65.5-24.2000110.5I154 I158I154-N156 VanDerWaalsContact CG2-O 3.31Å; I154-N156 WeakPolarHBondContact CG2-O 3.42Å; N156-I158 PolarHBondContact O-N 3.05Å
157D90.3Very high89.6Confident114 Ų11474.2 Ų74.261%0.6138%0.38SS*.  trans-67126.7170.2-65.9-5.1000110L123 P124 A125L123-D157 VanDerWaalsContact O-CA 3.28Å; L123-D157 WeakPolarHBondContact O-CA 3.32Å; P124-D157 VanDerWaalsContact CA-OD1 3.28Å; P124-D157 WeakPolarHBondContact CA-OD1 3.21Å; A125-D157 PolarHBondContact N-OD1 3.33Å
158I89.6Confident89.6Confident36 Ų3670.7 Ų70.719%0.18537%0.368CS..EExtended strand (participates in β ladder)trans-127.5130.2-177.6-62.2162.8000109.7T122 L123 I143 P144 N156 L160T122-I158 WeakPolarHBondContact CA-O 3.35Å; L123-I158 PolarHBondContact N-O 2.7Å; L123-I158 PolarHBondContact O-N 3.3Å; L123-I158 VanDerWaalsContact O-N 3.1Å; I143-I158 HydrophobicContact CB-CD1 4.07Å; I143-I158 HydrophobicContact CG1-CD1 4.15Å; I143-I158 HydrophobicContact CG2-CD1 3.7Å; P144-I158 HydrophobicContact CG-CD1 3.93Å; N156-I158 PolarHBondContact O-N 3.05Å; I158-L160 PolarHBondContact O-N 3.22Å
159H88.3Confident89.6Confident136 Ų13672.5 Ų72.563%0.6338%0.384SS*.EExtended strand (participates in β ladder)trans-72.1112169.2-63.2-84.9000109.1T122T122-H159 WeakPolarHBondContact CG2-CE1 3.47Å; T122-H159 WeakPolarHBondContact CG2-ND1 3.22Å
160L86.4Confident89.5Confident23 Ų2365 Ų6512%0.1236%0.359CS..EExtended strand (participates in β ladder)trans-85.7-48.1175.6-71.8-171.6000112.1V121 L123 I143 I158 L174 L175V121-L160 PolarHBondContact O-N 3.41Å; L123-L160 HydrophobicContact CD1-CD1 3.38Å; L123-L160 HydrophobicContact CD1-CD2 4.03Å; L123-L160 HydrophobicContact CD1-CG 3.78Å; L123-L160 HydrophobicContact CD2-CD1 4.2Å; L123-L160 HydrophobicContact CG-CD1 3.46Å; L123-L160 VanDerWaalsContact CG-CD1 3.46Å; L123-L160 HydrophobicContact CG-CG 3.78Å; I143-L160 HydrophobicContact CD1-CD2 3.8Å; I143-L160 HydrophobicContact CG1-CD2 4.24Å; I158-L160 PolarHBondContact O-N 3.22Å; L160-L174 HydrophobicContact CD1-CD2 4.34Å; L160-L175 HydrophobicContact CD1-CD1 4.47Å; L160-L175 HydrophobicContact CD1-CD2 4.17Å; L160-L175 HydrophobicContact CD1-CG 4.17Å
161I88.5Confident89.5Confident1 Ų164.8 Ų64.81%0.00535%0.346CS..EExtended strand (participates in β ladder)trans-129.4129.7-170.6-58.4159000108.4A117 D120 V121 V167 E171 L175A117-I161 HydrophobicContact CB-CG2 3.4Å; D120-I161 WeakPolarHBondContact CA-O 3.33Å; V121-I161 HydrophobicContact CB-CB 4.1Å; V121-I161 HydrophobicContact CB-CD1 4.24Å; V121-I161 HydrophobicContact CG2-CB 4.22Å; V121-I161 HydrophobicContact CG2-CD1 4.18Å; V121-I161 PolarHBondContact N-O 3.07Å; V121-I161 PolarHBondContact O-N 2.94Å; I161-V167 HydrophobicContact CD1-CB 4.49Å; I161-V167 HydrophobicContact CD1-CG1 3.82Å; I161-V167 HydrophobicContact CD1-CG2 4.11Å; I161-V167 HydrophobicContact CG2-CG2 4.35Å; I161-E171 HydrophobicContact CD1-CB 4.33Å; I161-E171 HydrophobicContact CG1-CB 4.39Å; I161-L175 HydrophobicContact CD1-CD1 3.68Å
162K89.1Confident89.4Confident142 Ų14263.3 Ų63.362%0.61734%0.337SS*.  trans-88152.9169.7-67.6-179.8-179.7176.10111.4D120 N164 E165D120-K162 WeakPolarHBondContact OD1-CA 3.2Å; K162-N164 PolarHBondContact O-N 2.93Å; K162-E165 HydrophobicContact CB-CB 4.44Å; K162-E165 VanDerWaalsContact O-CB 3.28Å; K162-E165 WeakPolarHBondContact O-CB 3.41Å; K162-E165 PolarHBondContact O-N 3.36Å; K162-E165 VanDerWaalsContact O-N 3.1Å
163A88.2Confident89.4Confident38 Ų3866.6 Ų66.631%0.31436%0.357SS..THydrogen-bonded Turntrans-59137.6174.600000109.7D120 E165D120-A163 WeakPolarHBondContact OD1-CB 3.35Å; D120-A163 PolarHBondContact OD1-N 3.34Å; A163-E165 PolarHBondContact O-N 2.91Å
164N88.3Confident89.2Confident135 Ų13563.2 Ų63.272%0.72234%0.342SS*.THydrogen-bonded Turntrans68.45.3-174.8-51.3-64.8000115.9I116 A117 K162I116-N164 HydrophobicContact CG2-CB 4.48Å; A117-N164 PolarHBondContact O-N 2.95Å; K162-N164 PolarHBondContact O-N 2.93Å
165E90.2Very high89.2Confident100 Ų10063 Ų6347%0.46734%0.34SS..PPolyproline II helixtrans-85.2150.8171.3-166.6164.6-171.300111.4A117 K162 A163 V167A117-E165 PolarHBondContact N-O 3.45Å; K162-E165 HydrophobicContact CB-CB 4.44Å; K162-E165 VanDerWaalsContact O-CB 3.28Å; K162-E165 WeakPolarHBondContact O-CB 3.41Å; K162-E165 PolarHBondContact O-N 3.36Å; K162-E165 VanDerWaalsContact O-N 3.1Å; A163-E165 PolarHBondContact O-N 2.91Å; E165-V167 PolarHBondContact O-N 3.28Å
166K90.3Very high89.1Confident145 Ų14562 Ų6263%0.6334%0.336SS*.BIsolated β-bridgetrans-78.2121.4176-175.2177.1-178.5179.90109M115 G168M115-K166 WeakPolarHBondContact O-CA 2.91Å; K166-G168 PolarHBondContact O-N 3.5Å
167V89.4Confident89Confident3 Ų360 Ų602%0.01832%0.324CS..PPolyproline II helixtrans-62.9124.2-179.3-177.10000110.9A111 G114 M115 A117 I161 E165 A172 F183A111-V167 HydrophobicContact CB-CG1 4.41Å; G114-V167 PolarHBondContact N-O 2.94Å; M115-V167 WeakPolarHBondContact O-CG2 3.34Å; M115-V167 PolarHBondContact O-N 3.33Å; A117-V167 HydrophobicContact CB-CG2 4.09Å; I161-V167 HydrophobicContact CD1-CB 4.49Å; I161-V167 HydrophobicContact CD1-CG1 3.82Å; I161-V167 HydrophobicContact CD1-CG2 4.11Å; I161-V167 HydrophobicContact CG2-CG2 4.35Å; E165-V167 PolarHBondContact O-N 3.28Å; V167-A172 HydrophobicContact CG1-CB 3.82Å; V167-F183 HydrophobicContact CG2-CE2 4.08Å; V167-F183 HydrophobicContact CG2-CZ 3.79Å
168G90Very high88.9Confident23 Ų2355.8 Ų55.824%0.23730%0.301CS..PPolyproline II helixtrans-67153.7174.400000112.7K166 E171 A172K166-G168 PolarHBondContact O-N 3.5Å; G168-E171 PolarHBondContact N-OE2 3.22Å; G168-E171 PolarHBondContact O-N 2.94Å; G168-A172 WeakPolarHBondContact O-CB 3.23Å; G168-A172 PolarHBondContact O-N 3.23Å
169A90Very high88.7Confident66 Ų6660.7 Ų60.755%0.54533%0.328SS..Hα-helixtrans-66.7-36.8178.200000112.6A113 T173A113-A169 HydrophobicContact CB-CB 4.04Å; A169-T173 WeakPolarHBondContact O-CB 3.43Å; A169-T173 WeakPolarHBondContact O-CG2 3.48Å; A169-T173 PolarHBondContact O-N 3.03Å; A169-T173 VanDerWaalsContact O-N 3.12Å; A169-T173 PolarHBondContact O-OG1 3.49Å
170S88.4Confident88.7Confident58 Ų5856.9 Ų56.941%0.40631%0.311SS..Hα-helixtrans-67.7-42.2175.842.10000112.3T173 L174S170-T173 WeakPolarHBondContact CA-OG1 3.5Å; S170-T173 PolarHBondContact O-N 3.41Å; S170-T173 PolarHBondContact O-OG1 3.33Å; S170-L174 WeakPolarHBondContact O-CB 3.43Å; S170-L174 PolarHBondContact O-N 2.93Å
171E88.3Confident88.8Confident41 Ų4160.4 Ų60.419%0.19233%0.328CS..Hα-helixtrans-66.2-46.9177.9-66.3157.6-170.100111.6L141 I161 G168 T173 L174 L175L141-E171 HydrophobicContact CD2-CG 3.89Å; I161-E171 HydrophobicContact CD1-CB 4.33Å; I161-E171 HydrophobicContact CG1-CB 4.39Å; G168-E171 PolarHBondContact N-OE2 3.22Å; G168-E171 PolarHBondContact O-N 2.94Å; E171-T173 VanDerWaalsContact C-N 3.34Å; E171-T173 PolarHBondContact O-N 3.43Å; E171-L174 PolarHBondContact O-N 2.81Å; E171-L175 WeakPolarHBondContact O-CG 2.77Å; E171-L175 PolarHBondContact O-N 2.81Å
172A89.3Confident88.6Confident3 Ų362 Ų623%0.02534%0.339CS..Hα-helixtrans-61.2-42.7177.400000111.9A111 V167 G168 N176A111-A172 HydrophobicContact CB-CB 4.3Å; V167-A172 HydrophobicContact CG1-CB 3.82Å; G168-A172 WeakPolarHBondContact O-CB 3.23Å; G168-A172 PolarHBondContact O-N 3.23Å; A172-N176 WeakPolarHBondContact O-CB 3.46Å; A172-N176 PolarHBondContact O-N 3.38Å; A172-N176 PolarHBondContact O-ND2 3.34Å
173T89.3Confident88.5Confident68 Ų6855.2 Ų55.242%0.41731%0.309SS..Hα-helixtrans-67.2-39.2177.8430000112A169 S170 E171 N176 M177A169-T173 WeakPolarHBondContact O-CB 3.43Å; A169-T173 WeakPolarHBondContact O-CG2 3.48Å; A169-T173 PolarHBondContact O-N 3.03Å; A169-T173 VanDerWaalsContact O-N 3.12Å; A169-T173 PolarHBondContact O-OG1 3.49Å; S170-T173 WeakPolarHBondContact CA-OG1 3.5Å; S170-T173 PolarHBondContact O-N 3.41Å; S170-T173 PolarHBondContact O-OG1 3.33Å; E171-T173 VanDerWaalsContact C-N 3.34Å; E171-T173 PolarHBondContact O-N 3.43Å; T173-N176 PolarHBondContact O-N 3.04Å; T173-M177 WeakPolarHBondContact O-CG 3.36Å; T173-M177 PolarHBondContact O-N 2.82Å
174L88.1Confident88.3Confident1 Ų156 Ų561%0.00531%0.312CS..Hα-helixtrans-60.8-50173.8179.162.9000112L123 F138 L141 I143 L160 S170 E171 N176 M177 L178L123-L174 HydrophobicContact CD1-CD2 3.84Å; F138-L174 HydrophobicContact CD1-CD1 4.22Å; F138-L174 HydrophobicContact CD1-CD2 4.35Å; F138-L174 HydrophobicContact CE1-CD1 3.61Å; F138-L174 HydrophobicContact CE1-CD2 4.23Å; F138-L174 HydrophobicContact CE2-CD1 4.26Å; F138-L174 HydrophobicContact CZ-CD1 3.63Å; L141-L174 HydrophobicContact CD1-CB 4.08Å; L141-L174 HydrophobicContact CD1-CD2 3.54Å; L141-L174 HydrophobicContact CD1-CG 4.42Å; I143-L174 HydrophobicContact CD1-CD2 3.44Å; I143-L174 VanDerWaalsContact CD1-CD2 3.44Å; L160-L174 HydrophobicContact CD1-CD2 4.34Å; S170-L174 WeakPolarHBondContact O-CB 3.43Å; S170-L174 PolarHBondContact O-N 2.93Å; E171-L174 PolarHBondContact O-N 2.81Å; L174-N176 VanDerWaalsContact C-N 3.27Å; L174-N176 PolarHBondContact O-N 2.86Å; L174-M177 HydrophobicContact CD1-CE 4.32Å; L174-M177 PolarHBondContact O-N 2.76Å; L174-M177 VanDerWaalsContact O-N 3.1Å; L174-L178 HydrophobicContact CD1-CD1 4.07Å; L174-L178 HydrophobicContact CD1-CG 4.22Å; L174-L178 HydrophobicContact CG-CD1 4.07Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.12Å
175L89.7Confident88.1Confident0 Ų051 Ų510%028%0.284CS..Hα-helixtrans-59.2-40.3178.8-72.7164.2000111.8A111 V121 L123 L160 I161 E171 L178 N179 I180 P182A111-L175 HydrophobicContact CB-CD1 4Å; V121-L175 HydrophobicContact CG1-CD1 4.09Å; V121-L175 HydrophobicContact CG1-CD2 3.86Å; L123-L175 HydrophobicContact CD2-CD2 3.77Å; L160-L175 HydrophobicContact CD1-CD1 4.47Å; L160-L175 HydrophobicContact CD1-CD2 4.17Å; L160-L175 HydrophobicContact CD1-CG 4.17Å; I161-L175 HydrophobicContact CD1-CD1 3.68Å; E171-L175 WeakPolarHBondContact O-CG 2.77Å; E171-L175 PolarHBondContact O-N 2.81Å; L175-L178 PolarHBondContact O-N 3.05Å; L175-N179 PolarHBondContact O-N 3.43Å; L175-I180 HydrophobicContact CD2-CB 4.27Å; L175-I180 HydrophobicContact CD2-CG2 4.18Å; L175-I180 PolarHBondContact O-N 2.91Å; L175-P182 HydrophobicContact CD1-CG 4.16Å
176N89.2Confident87.8Confident66 Ų6646.8 Ų46.835%0.35327%0.267SS..Hα-helixtrans-66.8-38.6175.2-69.6-32.9000112.5P110 A111 A172 T173 L174 L178 N179P110-N176 WeakPolarHBondContact CB-OD1 3.4Å; A111-N176 PolarHBondContact O-ND2 3.41Å; A111-N176 VanDerWaalsContact O-ND2 3.09Å; A172-N176 WeakPolarHBondContact O-CB 3.46Å; A172-N176 PolarHBondContact O-N 3.38Å; A172-N176 PolarHBondContact O-ND2 3.34Å; T173-N176 PolarHBondContact O-N 3.04Å; L174-N176 VanDerWaalsContact C-N 3.27Å; L174-N176 PolarHBondContact O-N 2.86Å; N176-L178 VanDerWaalsContact C-N 3.33Å; N176-N179 PolarHBondContact O-N 3.36Å
177M87.2Confident87.6Confident61 Ų6140.3 Ų40.330%0.324%0.239SC..Hα-helixtrans-66.3-34.8176.1-75.6-172.8-67.100112.5F137 T173 L174 N179F137-M177 HydrophobicContact CD1-CE 4.34Å; F137-M177 HydrophobicContact CG-CE 4.28Å; T173-M177 WeakPolarHBondContact O-CG 3.36Å; T173-M177 PolarHBondContact O-N 2.82Å; L174-M177 HydrophobicContact CD1-CE 4.32Å; L174-M177 PolarHBondContact O-N 2.76Å; L174-M177 VanDerWaalsContact O-N 3.1Å; M177-N179 PolarHBondContact O-N 2.77Å
178L88.4Confident87.6Confident26 Ų2644.8 Ų44.814%0.13627%0.266CS..THydrogen-bonded Turntrans-78.7-0.3176.2-64.5176.4000113.2L123 T128 L130 F138 L174 L175 N176 I180L123-L178 HydrophobicContact CD1-CD1 4.22Å; L123-L178 HydrophobicContact CD2-CD1 3.67Å; T128-L178 VanDerWaalsContact CB-CD2 3.48Å; T128-L178 HydrophobicContact CG2-CD2 3.54Å; L130-L178 HydrophobicContact CD1-CD2 4.01Å; F138-L178 HydrophobicContact CZ-CD2 4.39Å; L174-L178 HydrophobicContact CD1-CD1 4.07Å; L174-L178 HydrophobicContact CD1-CG 4.22Å; L174-L178 HydrophobicContact CG-CD1 4.07Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.12Å; L175-L178 PolarHBondContact O-N 3.05Å; N176-L178 VanDerWaalsContact C-N 3.33Å; L178-I180 HydrophobicContact CB-CD1 3.89Å; L178-I180 HydrophobicContact CB-CG1 3.93Å; L178-I180 HydrophobicContact CD1-CD1 4.19Å; L178-I180 PolarHBondContact O-N 2.91Å; L178-I180 VanDerWaalsContact O-N 3.14Å
179N85.6Confident87.5Confident139 Ų13944.6 Ų44.674%0.74326%0.259SS*.THydrogen-bonded Turntrans54.723.5-171.4-60.6-59.1000113.7L175 N176 M177L175-N179 PolarHBondContact O-N 3.43Å; N176-N179 PolarHBondContact O-N 3.36Å; M177-N179 PolarHBondContact O-N 2.77Å
180I89Confident87.5Confident55 Ų5545 Ų4528%0.28225%0.249SC..  trans-89.4115175.9-60.7172.7000107L123 L175 L178 P182L123-I180 HydrophobicContact CD2-CD1 3.67Å; L175-I180 HydrophobicContact CD2-CB 4.27Å; L175-I180 HydrophobicContact CD2-CG2 4.18Å; L175-I180 PolarHBondContact O-N 2.91Å; L178-I180 HydrophobicContact CB-CD1 3.89Å; L178-I180 HydrophobicContact CB-CG1 3.93Å; L178-I180 HydrophobicContact CD1-CD1 4.19Å; L178-I180 PolarHBondContact O-N 2.91Å; L178-I180 VanDerWaalsContact O-N 3.14Å; I180-P182 WeakPolarHBondContact O-CD 3.34Å
181M88.2Confident87.6Confident97 Ų9744.1 Ų44.148%0.47824%0.238SC..  trans-10389175.5-67.5-173.3-171.600109.1A108 A109 F183A108-M181 HydrophobicContact CB-CB 3.8Å; A109-M181 WeakPolarHBondContact O-CB 3.47Å; M181-F183 PolarHBondContact O-N 3.25Å
182P85.1Confident87.7Confident35 Ų3542.4 Ų42.423%0.22723%0.23CC..  trans-76.3-23.3-16931.4-38.5000113.8A111 V121 L175 I180A111-P182 HydrophobicContact CB-CG 4.27Å; V121-P182 HydrophobicContact CB-CB 4.22Å; V121-P182 HydrophobicContact CG1-CB 3.57Å; V121-P182 HydrophobicContact CG1-CG 3.96Å; V121-P182 HydrophobicContact CG2-CB 3.6Å; V121-P182 HydrophobicContact CG2-CG 3.9Å; L175-P182 HydrophobicContact CD1-CG 4.16Å; I180-P182 WeakPolarHBondContact O-CD 3.34Å
183F86.7Confident87.7Confident0 Ų043 Ų430%023%0.232CC..EExtended strand (participates in β ladder)trans-92.7122.9-174.9-57-35.6000110.6A108 A109 A111 M115 A117 P118 V121 V167 M181 Y185A108-F183 CarbonylContact C-O 3.53Å; A108-F183 WeakPolarHBondContact CA-O 3.42Å; A109-F183 PolarHBondContact N-O 3.4Å; A111-F183 HydrophobicContact CB-CD2 4.18Å; A111-F183 HydrophobicContact CB-CE2 3.66Å; A111-F183 HydrophobicContact CB-CZ 4.31Å; M115-F183 HydrophobicContact CE-CD2 3.97Å; M115-F183 HydrophobicContact CE-CE2 3.93Å; A117-F183 HydrophobicContact CB-CE1 3.89Å; A117-F183 HydrophobicContact CB-CZ 3.79Å; P118-F183 HydrophobicContact CG-CD1 3.87Å; P118-F183 HydrophobicContact CG-CE1 4.37Å; P118-F183 HydrophobicContact CG-CG 4.32Å; V121-F183 HydrophobicContact CG2-CE1 3.73Å; V121-F183 HydrophobicContact CG2-CZ 4.36Å; V167-F183 HydrophobicContact CG2-CE2 4.08Å; V167-F183 HydrophobicContact CG2-CZ 3.79Å; M181-F183 PolarHBondContact O-N 3.25Å; F183-Y185 HydrophobicContact CB-CD2 4.48Å; F183-Y185 HydrophobicContact CB-CE2 3.78Å
184S83.9Confident87.6Confident54 Ų5442 Ų4238%0.37822%0.224SC..EExtended strand (participates in β ladder)trans-94.3112.7168.666.50000109.7V107V107-S184 WeakPolarHBondContact O-CA 3.31Å
185Y83.7Confident87.2Confident30 Ų3045 Ų4512%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-96.7141.9169.8-62.6-70.6000109.8N34 Q39 V107 A109 F183N34-Y185 HydrophobicContact CB-CD1 3.81Å; N34-Y185 HydrophobicContact CB-CD2 3.83Å; N34-Y185 HydrophobicContact CB-CE1 3.88Å; N34-Y185 HydrophobicContact CB-CE2 3.93Å; N34-Y185 HydrophobicContact CB-CG 3.8Å; Q39-Y185 PolarHBondContact NE2-O 3.48Å; V107-Y185 PolarHBondContact N-O 3.49Å; V107-Y185 PolarHBondContact O-N 3.06Å; A109-Y185 HydrophobicContact CB-CD2 3.32Å; A109-Y185 HydrophobicContact CB-CE2 3.63Å; F183-Y185 HydrophobicContact CB-CD2 4.48Å; F183-Y185 HydrophobicContact CB-CE2 3.78Å
186G84.5Confident86.7Confident11 Ų1145.6 Ų45.611%0.11326%0.255CS..  trans-153.2176.517700000109.7V188G186-V188 PolarHBondContact O-N 3.49Å
187L86.3Confident86.6Confident9 Ų944.9 Ų44.95%0.04726%0.255CS..PPolyproline II helixtrans-67.2117.8170.5-78.9-175.2000109.7V30 V32 M40 I43 L53 I102V30-L187 HydrophobicContact CG1-CB 3.55Å; V30-L187 HydrophobicContact CG1-CD1 4.27Å; V30-L187 HydrophobicContact CG1-CD2 3.76Å; V30-L187 HydrophobicContact CG1-CG 4.03Å; V32-L187 HydrophobicContact CB-CD2 4.35Å; V32-L187 HydrophobicContact CG1-CD2 4.25Å; V32-L187 HydrophobicContact CG2-CD2 3.53Å; M40-L187 HydrophobicContact SD-CD2 4.4Å; I43-L187 HydrophobicContact CD1-CD1 4.05Å; I43-L187 HydrophobicContact CD1-CG 3.94Å; I43-L187 HydrophobicContact CG2-CD1 3.71Å; L53-L187 HydrophobicContact CD1-CD1 3.81Å; I102-L187 HydrophobicContact CG2-CB 3.47Å; I102-L187 VanDerWaalsContact CG2-CB 3.47Å; I102-L187 HydrophobicContact CG2-CD1 3.92Å; I102-L187 HydrophobicContact CG2-CG 4.34Å
188V87.9Confident86.6Confident97 Ų9743.9 Ų43.959%0.58825%0.251SS*.EExtended strand (participates in β ladder)trans-93.8118.9177.5-178.40000108.6V30 G31 G186 K190V30-V188 CarbonylContact C-O 3.51Å; V30-V188 WeakPolarHBondContact CA-O 3.34Å; V30-V188 VanDerWaalsContact CG1-O 3.32Å; V30-V188 WeakPolarHBondContact CG1-O 3.48Å; G31-V188 PolarHBondContact N-O 3.44Å; G31-V188 PolarHBondContact O-N 2.93Å; G31-V188 VanDerWaalsContact O-N 3.11Å; G186-V188 PolarHBondContact O-N 3.49Å; V188-K190 PolarHBondContact O-N 3.4Å
189M88.4Confident86.7Confident19 Ų1947.4 Ų47.49%0.09426%0.263CS..EExtended strand (participates in β ladder)trans-73119.9174.2-63.4-168.7166.900109.8F28 R99 I102 P201F28-M189 HydrophobicContact CD1-CE 3.99Å; F28-M189 HydrophobicContact CD1-SD 3.84Å; F28-M189 HydrophobicContact CE1-CE 4.11Å; F28-M189 HydrophobicContact CE1-SD 3.94Å; F28-M189 HydrophobicContact CG-CE 4.23Å; F28-M189 HydrophobicContact CZ-CE 4.43Å; R99-M189 HydrophobicContact CB-CE 3.61Å; R99-M189 HydrophobicContact CB-SD 3.81Å; R99-M189 HydrophobicContact CG-CE 3.76Å; R99-M189 HydrophobicContact CG-SD 3.48Å; R99-M189 WeakPolarHBondContact CG-SD 3.45Å; I102-M189 HydrophobicContact CB-CE 3.81Å; I102-M189 HydrophobicContact CD1-CE 3.4Å; I102-M189 VanDerWaalsContact CD1-CE 3.4Å; I102-M189 HydrophobicContact CG1-CE 4.18Å; I102-M189 HydrophobicContact CG2-CE 3.86Å; M189-P201 HydrophobicContact CB-CB 4.03Å; M189-P201 HydrophobicContact CB-CG 4.25Å
190K89.9Confident86.8Confident76 Ų7644.2 Ų44.233%0.3325%0.246SC..EExtended strand (participates in β ladder)trans-91.9-49.1177.8-168.1179.7-177.9-175.70110.7I29 H81 T83 V188I29-K190 PolarHBondContact O-N 3Å; H81-K190 PolarHBondContact O-NZ 2.85Å; T83-K190 PolarHBondContact O-NZ 2.99Å; T83-K190 PolarHBondContact OG1-NZ 2.94Å; T83-K190 VanDerWaalsContact OG1-NZ 3.09Å; V188-K190 PolarHBondContact O-N 3.4Å
191K90.5Very high86.6Confident38 Ų3842.4 Ų42.417%0.16524%0.238CC..EExtended strand (participates in β ladder)trans-149.5155.9-179.5-67.4-63.2-174.8178.60110.5I29 I198 Y199 D200I29-K191 HydrophobicContact CB-CB 4.21Å; I29-K191 HydrophobicContact CD1-CB 4.11Å; I29-K191 HydrophobicContact CG1-CB 4.39Å; I29-K191 PolarHBondContact N-O 3.32Å; I29-K191 PolarHBondContact O-N 3.38Å; K191-I198 HydrophobicContact CB-CG2 3.81Å; K191-I198 HydrophobicContact CD-CG2 3.96Å; K191-I198 HydrophobicContact CG-CG2 3.96Å; K191-Y199 CarbonylContact C-O 3.59Å; K191-Y199 WeakPolarHBondContact CA-O 3.33Å; K191-D200 WeakPolarHBondContact CD-OD1 3.47Å; K191-D200 WeakPolarHBondContact CE-OD1 3.46Å; K191-D200 IonicContact NZ-OD1 3.93Å; K191-D200 PolarHBondContact NZ-OD1 3.04Å; K191-D200 IonicContact NZ-OD2 2.73Å; K191-D200 PolarHBondContact NZ-OD2 3.22Å
192V91Very high86.5Confident5 Ų541.8 Ų41.83%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-112.4132.6172.6-168.20000107.8F28 L95 I198 Y199F28-V192 HydrophobicContact CD1-CB 4.24Å; F28-V192 HydrophobicContact CD1-CG1 3.94Å; F28-V192 HydrophobicContact CD1-CG2 3.72Å; F28-V192 HydrophobicContact CE1-CB 4.26Å; F28-V192 HydrophobicContact CE1-CG1 3.71Å; F28-V192 HydrophobicContact CE1-CG2 3.64Å; F28-V192 HydrophobicContact CZ-CG1 4.42Å; L95-V192 HydrophobicContact CD1-CG1 3.99Å; L95-V192 HydrophobicContact CD2-CG1 3.89Å; V192-I198 CarbonylContact O-C 3.58Å; V192-I198 VanDerWaalsContact O-CA 3.31Å; V192-I198 WeakPolarHBondContact O-CA 3.35Å; V192-Y199 PolarHBondContact N-O 3.3Å; V192-Y199 PolarHBondContact O-N 3.06Å
193Y88.2Confident86.5Confident16 Ų1644.6 Ų44.66%0.06326%0.255CS..EExtended strand (participates in β ladder)trans-107.9126.5171.7174.9-92.9000109K26 C27 L75 V78 G196 S197 I198K26-Y193 WeakPolarHBondContact CA-O 3.27Å; C27-Y193 HydrophobicContact CB-CD1 4.43Å; C27-Y193 PolarHBondContact N-O 3.3Å; C27-Y193 PolarHBondContact O-N 2.97Å; L75-Y193 HydrophobicContact CD2-CE1 3.93Å; L75-Y193 HydrophobicContact CD2-CE2 4.01Å; L75-Y193 VanDerWaalsContact CD2-CZ 3.5Å; L75-Y193 WeakPolarHBondContact CD2-OH 3.36Å; V78-Y193 HydrophobicContact CG2-CD2 3.49Å; V78-Y193 VanDerWaalsContact CG2-CD2 3.49Å; V78-Y193 HydrophobicContact CG2-CE2 3.87Å; V78-Y193 HydrophobicContact CG2-CG 4.11Å; Y193-G196 VanDerWaalsContact CZ-N 3.3Å; Y193-G196 WeakPolarHBondContact OH-CA 3.42Å; Y193-G196 PolarHBondContact OH-N 3.45Å; Y193-G196 VanDerWaalsContact OH-N 3.16Å; Y193-S197 WeakPolarHBondContact CA-O 3.36Å; Y193-I198 HydrophobicContact CD2-CD1 4.44Å; Y193-I198 HydrophobicContact CD2-CG1 3.93Å
194D87.2Confident86.3Confident48 Ų4846.5 Ų46.526%0.25727%0.265SS..EExtended strand (participates in β ladder)trans-136.6114.8174.1-169.210.9000109.4K26 G196 S197 Y199K26-D194 WeakPolarHBondContact CE-OD1 3.42Å; K26-D194 HydrophobicContact CG-CB 4.49Å; K26-D194 VanDerWaalsContact CG-OD1 3.27Å; K26-D194 WeakPolarHBondContact CG-OD1 3.49Å; D194-G196 PolarHBondContact O-N 3.19Å; D194-S197 PolarHBondContact N-O 2.94Å; D194-S197 PolarHBondContact O-N 3.33Å; D194-Y199 HydrophobicContact CB-CE2 4.33Å
195A80Confident86.2Confident63 Ų6348 Ų4852%0.52127%0.269SS..THydrogen-bonded Turntrans41.242.5172.200000115.4P25P25-A195 PolarHBondContact O-N 3.05Å
196G80.9Confident86.2Confident13 Ų1350.4 Ų50.413%0.13429%0.286CS..THydrogen-bonded Turntrans100.2-9.2175.800000115.9Y193 D194Y193-G196 VanDerWaalsContact CZ-N 3.3Å; Y193-G196 WeakPolarHBondContact OH-CA 3.42Å; Y193-G196 PolarHBondContact OH-N 3.45Å; Y193-G196 VanDerWaalsContact OH-N 3.16Å; D194-G196 PolarHBondContact O-N 3.19Å
197S85.7Confident86.2Confident51 Ų5151.3 Ų51.336%0.35729%0.29SS..EExtended strand (participates in β ladder)trans-104.6142.5175.6-600000111.3Y193 D194 Y199Y193-S197 WeakPolarHBondContact CA-O 3.36Å; D194-S197 PolarHBondContact N-O 2.94Å; D194-S197 PolarHBondContact O-N 3.33Å; S197-Y199 VanDerWaalsContact CB-CE2 3.48Å; S197-Y199 WeakPolarHBondContact CB-OH 3.46Å; S197-Y199 PolarHBondContact OG-OH 2.99Å
198I88.3Confident86.2Confident39 Ų3955.1 Ų55.120%0.232%0.315CS..EExtended strand (participates in β ladder)trans-114.5125.2178.6-61.3-176.5000109.3C77 V78 K191 V192 Y193C77-I198 HydrophobicContact CB-CD1 3.44Å; C77-I198 VanDerWaalsContact CB-CD1 3.44Å; C77-I198 HydrophobicContact CB-CG1 4.13Å; C77-I198 VanDerWaalsContact O-CD1 3.22Å; C77-I198 WeakPolarHBondContact O-CD1 3.45Å; V78-I198 HydrophobicContact CB-CD1 4.48Å; V78-I198 HydrophobicContact CG2-CD1 3.94Å; K191-I198 HydrophobicContact CB-CG2 3.81Å; K191-I198 HydrophobicContact CD-CG2 3.96Å; K191-I198 HydrophobicContact CG-CG2 3.96Å; V192-I198 CarbonylContact O-C 3.58Å; V192-I198 VanDerWaalsContact O-CA 3.31Å; V192-I198 WeakPolarHBondContact O-CA 3.35Å; Y193-I198 HydrophobicContact CD2-CD1 4.44Å; Y193-I198 HydrophobicContact CD2-CG1 3.93Å
199Y89.3Confident86.3Confident101 Ų10156.8 Ų56.840%0.39632%0.316SS..EExtended strand (participates in β ladder)trans-122.3151.4-176.9-54.5-66.1000110.7K191 V192 D194 S197 I203K191-Y199 CarbonylContact C-O 3.59Å; K191-Y199 WeakPolarHBondContact CA-O 3.33Å; V192-Y199 PolarHBondContact N-O 3.3Å; V192-Y199 PolarHBondContact O-N 3.06Å; D194-Y199 HydrophobicContact CB-CE2 4.33Å; S197-Y199 VanDerWaalsContact CB-CE2 3.48Å; S197-Y199 WeakPolarHBondContact CB-OH 3.46Å; S197-Y199 PolarHBondContact OG-OH 2.99Å; Y199-I203 HydrophobicContact CD1-CD1 3.96Å; Y199-I203 HydrophobicContact CG-CD1 4.35Å
200D88.8Confident86.4Confident72 Ų7259.1 Ų59.139%0.38533%0.329SS..  trans-71.9147.7164.2-77.1-66.3000110.4K191 S202 I203K191-D200 WeakPolarHBondContact CD-OD1 3.47Å; K191-D200 WeakPolarHBondContact CE-OD1 3.46Å; K191-D200 IonicContact NZ-OD1 3.93Å; K191-D200 PolarHBondContact NZ-OD1 3.04Å; K191-D200 IonicContact NZ-OD2 2.73Å; K191-D200 PolarHBondContact NZ-OD2 3.22Å; D200-S202 PolarHBondContact O-N 2.91Å; D200-S202 VanDerWaalsContact O-N 3.09Å; D200-I203 PolarHBondContact O-N 3.04Å; D200-I203 VanDerWaalsContact O-N 3.11Å
201P85.2Confident86.4Confident17 Ų1760.6 Ų60.611%0.1134%0.34CS..G310 helixtrans-57.9-25.6177.425.6-35.5000112.5R99 M189 I203 L204R99-P201 PolarHBondContact NH1-O 2.97Å; M189-P201 HydrophobicContact CB-CB 4.03Å; M189-P201 HydrophobicContact CB-CG 4.25Å; P201-I203 PolarHBondContact O-N 2.91Å; P201-L204 VanDerWaalsContact O-CB 3.28Å; P201-L204 WeakPolarHBondContact O-CB 3.14Å; P201-L204 PolarHBondContact O-N 3.22Å; P201-L204 VanDerWaalsContact O-N 3.08Å
202S85.3Confident86.4Confident83 Ų8367.5 Ų67.558%0.5837%0.365SS*.G310 helixtrans-62.1-26.8178.5-46.50000113.8D200 L204 D205D200-S202 PolarHBondContact O-N 2.91Å; D200-S202 VanDerWaalsContact O-N 3.09Å; S202-L204 PolarHBondContact O-N 3.34Å; S202-D205 PolarHBondContact O-N 3.44Å
203I85.6Confident86.6Confident94 Ų9471.7 Ų71.748%0.48239%0.387SS..G310 helixtrans-67.4-28.8177.7-65.9164.6000110.5Y199 D200 P201 D205 V206Y199-I203 HydrophobicContact CD1-CD1 3.96Å; Y199-I203 HydrophobicContact CG-CD1 4.35Å; D200-I203 PolarHBondContact O-N 3.04Å; D200-I203 VanDerWaalsContact O-N 3.11Å; P201-I203 PolarHBondContact O-N 2.91Å; I203-D205 PolarHBondContact O-N 3.44Å; I203-V206 WeakPolarHBondContact O-CB 3.12Å; I203-V206 WeakPolarHBondContact O-CG2 3.36Å; I203-V206 PolarHBondContact O-N 2.88Å
204L81.6Confident86.8Confident41 Ų4177.1 Ų77.122%0.21541%0.411CS..G310 helixtrans-72.1-15.7178.6-174.359.2000113.1L95 R96 R99 P201 S202 V206L95-L204 HydrophobicContact CB-CD1 3.85Å; L95-L204 HydrophobicContact CB-CD2 3.82Å; R96-L204 HydrophobicContact CB-CD1 4.22Å; R96-L204 HydrophobicContact CB-CG 4.48Å; R99-L204 HydrophobicContact CB-CD2 4.13Å; P201-L204 VanDerWaalsContact O-CB 3.28Å; P201-L204 WeakPolarHBondContact O-CB 3.14Å; P201-L204 PolarHBondContact O-N 3.22Å; P201-L204 VanDerWaalsContact O-N 3.08Å; S202-L204 PolarHBondContact O-N 3.34Å; L204-V206 VanDerWaalsContact C-N 3.32Å
205D82.4Confident87.1Confident85 Ų8578.8 Ų78.846%0.45542%0.423SS..G310 helixtrans-81.5-11.9174.6-64.9-40.3000112.7R99 S202 I203 T207R99-D205 IonicContact CZ-OD1 2.76Å; R99-D205 IonicContact CZ-OD2 2.68Å; R99-D205 IonicContact NH1-OD1 2.69Å; R99-D205 PolarHBondContact NH1-OD1 2.87Å; R99-D205 IonicContact NH1-OD2 3.46Å; R99-D205 PolarHBondContact NH1-OD2 3.09Å; R99-D205 IonicContact NH2-OD1 3.38Å; R99-D205 PolarHBondContact NH2-OD1 3.23Å; R99-D205 IonicContact NH2-OD2 3.36Å; R99-D205 PolarHBondContact NH2-OD2 3.48Å; S202-D205 PolarHBondContact O-N 3.44Å; I203-D205 PolarHBondContact O-N 3.44Å; D205-T207 PolarHBondContact O-N 2.87Å; D205-T207 VanDerWaalsContact O-N 3.14Å
206V83.9Confident87.7Confident81 Ų8177.7 Ų77.749%0.49141%0.411SS..  trans-68.1114178.5-178.30000109.1I203 L204 D210I203-V206 WeakPolarHBondContact O-CB 3.12Å; I203-V206 WeakPolarHBondContact O-CG2 3.36Å; I203-V206 PolarHBondContact O-N 2.88Å; L204-V206 VanDerWaalsContact C-N 3.32Å; V206-D210 HydrophobicContact CG1-CB 4.48Å
207T84.9Confident88.3Confident30 Ų3082.3 Ų82.318%0.18443%0.43CS..  trans-82.7155.8177.367.80000110.8D205 E209 D210 L211D205-T207 PolarHBondContact O-N 2.87Å; D205-T207 VanDerWaalsContact O-N 3.14Å; T207-E209 PolarHBondContact O-N 2.83Å; T207-D210 WeakPolarHBondContact CB-OD2 3.33Å; T207-D210 PolarHBondContact N-OD2 2.72Å; T207-D210 PolarHBondContact O-N 3.17Å; T207-D210 PolarHBondContact OG1-N 2.89Å; T207-D210 VanDerWaalsContact OG1-N 3.08Å; T207-D210 PolarHBondContact OG1-OD2 3.21Å; T207-L211 PolarHBondContact O-N 2.93Å
208P85.1Confident88.6Confident88 Ų8882.1 Ų82.157%0.57143%0.431SS*.Hα-helixtrans-62.3-22.3170.826.1-34.9000112.4L211 R212P208-L211 PolarHBondContact O-N 3.38Å; P208-R212 WeakPolarHBondContact O-CG 3.21Å; P208-R212 PolarHBondContact O-N 2.83Å
209E90.2Very high88.8Confident133 Ų13383.7 Ų83.762%0.62144%0.442SS*.Hα-helixtrans-70.3-47.1174.8-65.9173.6-17400110.8T207 L211 R212 D213T207-E209 PolarHBondContact O-N 2.83Å; E209-L211 PolarHBondContact O-N 3.12Å; E209-R212 WeakPolarHBondContact O-CB 3.43Å; E209-R212 PolarHBondContact O-N 2.87Å; E209-D213 PolarHBondContact O-N 3.28Å
210D90Very high88.8Confident68 Ų6887.3 Ų87.336%0.36446%0.455SS..Hα-helixtrans-56.9-36.1173.5-60.9-49.2000111.8V206 T207 K214V206-D210 HydrophobicContact CG1-CB 4.48Å; T207-D210 WeakPolarHBondContact CB-OD2 3.33Å; T207-D210 PolarHBondContact N-OD2 2.72Å; T207-D210 PolarHBondContact O-N 3.17Å; T207-D210 PolarHBondContact OG1-N 2.89Å; T207-D210 VanDerWaalsContact OG1-N 3.08Å; T207-D210 PolarHBondContact OG1-OD2 3.21Å; D210-K214 WeakPolarHBondContact O-CB 3.45Å; D210-K214 VanDerWaalsContact O-CG 3.25Å; D210-K214 WeakPolarHBondContact O-CG 3.35Å; D210-K214 PolarHBondContact O-N 2.88Å
211L89.8Confident88.9Confident107 Ų10788.6 Ų88.656%0.5646%0.462SS*.Hα-helixtrans-68.7-44.2176.5-173.663.1000111.3T207 P208 E209 D213 K214 V215T207-L211 PolarHBondContact O-N 2.93Å; P208-L211 PolarHBondContact O-N 3.38Å; E209-L211 PolarHBondContact O-N 3.12Å; L211-D213 VanDerWaalsContact C-N 3.34Å; L211-D213 PolarHBondContact O-N 2.93Å; L211-K214 PolarHBondContact O-N 3.31Å; L211-V215 WeakPolarHBondContact O-CB 3.45Å; L211-V215 WeakPolarHBondContact O-CG2 3.22Å; L211-V215 PolarHBondContact O-N 3.01Å
212R91.6Very high89.1Confident183 Ų18392.3 Ų92.369%0.69148%0.48SS*.Hα-helixtrans-61.6-42.3175.2-74.4172.7-177.6-179.51.3111.5P208 E209 V215 S216P208-R212 WeakPolarHBondContact O-CG 3.21Å; P208-R212 PolarHBondContact O-N 2.83Å; E209-R212 WeakPolarHBondContact O-CB 3.43Å; E209-R212 PolarHBondContact O-N 2.87Å; R212-V215 PolarHBondContact O-N 3.31Å; R212-S216 WeakPolarHBondContact O-CB 3.09Å; R212-S216 PolarHBondContact O-N 3.27Å
213D94.1Very high89.2Confident92 Ų9288.9 Ų88.949%0.49246%0.457SS..Hα-helixtrans-64.8-46.4179.4-75.9-15.3000111.3E209 L211 V215 S216 Q217E209-D213 PolarHBondContact O-N 3.28Å; L211-D213 VanDerWaalsContact C-N 3.34Å; L211-D213 PolarHBondContact O-N 2.93Å; D213-V215 VanDerWaalsContact C-N 3.34Å; D213-V215 PolarHBondContact O-N 3.49Å; D213-S216 PolarHBondContact O-N 3.42Å; D213-S216 PolarHBondContact O-OG 3.18Å; D213-Q217 WeakPolarHBondContact O-CG 3.49Å; D213-Q217 PolarHBondContact O-N 2.97Å
214K92.5Very high89.3Confident130 Ų13087.5 Ų87.557%0.56546%0.456SS*.Hα-helixtrans-61.1-42174.8-74.2174.2-175.9175.20112.3D210 L211 Q217 A218D210-K214 WeakPolarHBondContact O-CB 3.45Å; D210-K214 VanDerWaalsContact O-CG 3.25Å; D210-K214 WeakPolarHBondContact O-CG 3.35Å; D210-K214 PolarHBondContact O-N 2.88Å; L211-K214 PolarHBondContact O-N 3.31Å; K214-Q217 PolarHBondContact O-N 3.29Å; K214-A218 WeakPolarHBondContact O-CB 3.44Å; K214-A218 PolarHBondContact O-N 3.46Å
215V94.7Very high89.7Confident83 Ų8390.3 Ų90.350%0.50347%0.47SS..Hα-helixtrans-64.5-42.1175.4171.70000110.5L211 R212 D213 Q217 A218 V219L211-V215 WeakPolarHBondContact O-CB 3.45Å; L211-V215 WeakPolarHBondContact O-CG2 3.22Å; L211-V215 PolarHBondContact O-N 3.01Å; R212-V215 PolarHBondContact O-N 3.31Å; D213-V215 VanDerWaalsContact C-N 3.34Å; D213-V215 PolarHBondContact O-N 3.49Å; V215-Q217 PolarHBondContact O-N 2.97Å; V215-A218 WeakPolarHBondContact O-CB 3.27Å; V215-A218 PolarHBondContact O-N 2.84Å; V215-V219 HydrophobicContact CG1-CG2 4.43Å; V215-V219 WeakPolarHBondContact O-CG2 3.36Å; V215-V219 PolarHBondContact O-N 3.39Å
216S91.8Very high90Very high40 Ų4086.6 Ų86.628%0.2845%0.45SS..Hα-helixtrans-63.5-40.4178820000112.1R212 D213 V219 R220R212-S216 WeakPolarHBondContact O-CB 3.09Å; R212-S216 PolarHBondContact O-N 3.27Å; D213-S216 PolarHBondContact O-N 3.42Å; D213-S216 PolarHBondContact O-OG 3.18Å; S216-V219 PolarHBondContact O-N 2.93Å; S216-R220 WeakPolarHBondContact O-CG 3.47Å; S216-R220 PolarHBondContact O-N 3.43Å
217Q92.9Very high90Very high111 Ų11185.2 Ų85.252%0.51944%0.44SS..Hα-helixtrans-65-42.5174.5-71.9175.25.300111.1D213 K214 V215 R220 N221D213-Q217 WeakPolarHBondContact O-CG 3.49Å; D213-Q217 PolarHBondContact O-N 2.97Å; K214-Q217 PolarHBondContact O-N 3.29Å; V215-Q217 PolarHBondContact O-N 2.97Å; Q217-R220 PolarHBondContact O-N 3.32Å; Q217-N221 WeakPolarHBondContact O-CB 2.89Å; Q217-N221 VanDerWaalsContact O-CG 3.22Å; Q217-N221 PolarHBondContact O-N 2.85Å
218A93.2Very high90.1Very high47 Ų4793.4 Ų93.439%0.38847%0.468SS..Hα-helixtrans-61.2-44.8175.500000111.8K214 V215 R220 N221 I222K214-A218 WeakPolarHBondContact O-CB 3.44Å; K214-A218 PolarHBondContact O-N 3.46Å; V215-A218 WeakPolarHBondContact O-CB 3.27Å; V215-A218 PolarHBondContact O-N 2.84Å; A218-R220 PolarHBondContact O-N 2.92Å; A218-N221 PolarHBondContact O-N 3.29Å; A218-I222 VanDerWaalsContact O-CG1 3.27Å; A218-I222 WeakPolarHBondContact O-CG1 3.47Å; A218-I222 PolarHBondContact O-N 3.02Å
219V91.7Very high90.3Very high72 Ų7295 Ų9544%0.43647%0.47SS..Hα-helixtrans-62.3-42.8176.6173.30000111.4V215 S216 N221 I222 A223 A235V215-V219 HydrophobicContact CG1-CG2 4.43Å; V215-V219 WeakPolarHBondContact O-CG2 3.36Å; V215-V219 PolarHBondContact O-N 3.39Å; S216-V219 PolarHBondContact O-N 2.93Å; V219-N221 PolarHBondContact O-N 2.83Å; V219-I222 PolarHBondContact O-N 3.37Å; V219-A223 WeakPolarHBondContact O-CB 3.49Å; V219-A223 PolarHBondContact O-N 3.5Å; V219-A235 HydrophobicContact CG1-CB 4.07Å
220R89.4Confident90Very high176 Ų17694.1 Ų94.166%0.66447%0.47SS*.Hα-helixtrans-61.2-43.5175-73.1176.5-169.2168.36.2112.1S216 Q217 A218 A223 S224S216-R220 WeakPolarHBondContact O-CG 3.47Å; S216-R220 PolarHBondContact O-N 3.43Å; Q217-R220 PolarHBondContact O-N 3.32Å; A218-R220 PolarHBondContact O-N 2.92Å; R220-A223 PolarHBondContact O-N 3.41Å; R220-S224 PolarHBondContact O-N 3.02Å
221N90.3Very high89.7Confident100 Ų10098.4 Ų98.454%0.53548%0.482SS..Hα-helixtrans-63.3-45.6177.6-69.9-11.9000110.9Q217 A218 V219 A223 S224 I225Q217-N221 WeakPolarHBondContact O-CB 2.89Å; Q217-N221 VanDerWaalsContact O-CG 3.22Å; Q217-N221 PolarHBondContact O-N 2.85Å; A218-N221 PolarHBondContact O-N 3.29Å; V219-N221 PolarHBondContact O-N 2.83Å; N221-A223 VanDerWaalsContact C-N 3.34Å; N221-A223 PolarHBondContact O-N 3.36Å; N221-S224 PolarHBondContact O-N 3.02Å; N221-S224 PolarHBondContact O-OG 3.49Å; N221-I225 WeakPolarHBondContact O-CG1 3.07Å; N221-I225 PolarHBondContact O-N 3.24Å
222I90.1Very high89.5Confident95 Ų9597.4 Ų97.449%0.48748%0.481SS..Hα-helixtrans-59.9-45.1175.6-68.4164.6000110.9A218 V219 S224 I225 S226A218-I222 VanDerWaalsContact O-CG1 3.27Å; A218-I222 WeakPolarHBondContact O-CG1 3.47Å; A218-I222 PolarHBondContact O-N 3.02Å; V219-I222 PolarHBondContact O-N 3.37Å; I222-S224 VanDerWaalsContact C-N 3.31Å; I222-S224 PolarHBondContact O-N 3.19Å; I222-I225 PolarHBondContact O-N 3.25Å; I222-S226 PolarHBondContact O-N 2.78Å; I222-S226 PolarHBondContact O-OG 2.84Å; I222-S226 VanDerWaalsContact O-OG 3.07Å
223A88.3Confident89.3Confident11 Ų1190.6 Ų90.69%0.09146%0.459CS..Hα-helixtrans-61.7-38177.800000112.3V219 R220 N221 S226 L227 A235V219-A223 WeakPolarHBondContact O-CB 3.49Å; V219-A223 PolarHBondContact O-N 3.5Å; R220-A223 PolarHBondContact O-N 3.41Å; N221-A223 VanDerWaalsContact C-N 3.34Å; N221-A223 PolarHBondContact O-N 3.36Å; A223-S226 WeakPolarHBondContact CA-OG 3.31Å; A223-S226 PolarHBondContact O-OG 3.33Å; A223-S226 VanDerWaalsContact O-OG 3.12Å; A223-L227 WeakPolarHBondContact O-CB 3.5Å; A223-L227 PolarHBondContact O-N 2.79Å; A223-A235 HydrophobicContact CB-CB 3.97Å
224S87.4Confident88.8Confident65 Ų6591 Ų9146%0.45548%0.475SS..Hα-helixtrans-68-39.5177.274.20000112.8R220 N221 I222 R228R220-S224 PolarHBondContact O-N 3.02Å; N221-S224 PolarHBondContact O-N 3.02Å; N221-S224 PolarHBondContact O-OG 3.49Å; I222-S224 VanDerWaalsContact C-N 3.31Å; I222-S224 PolarHBondContact O-N 3.19Å; S224-R228 PolarHBondContact O-N 2.88Å; S224-R228 VanDerWaalsContact O-N 3.16Å
225I89.3Confident88.3Confident99 Ų9986.3 Ų86.351%0.50846%0.461SS..Hα-helixtrans-67.6-47.8177.1-66.3166000109.8N221 I222 L227 R228 I229N221-I225 WeakPolarHBondContact O-CG1 3.07Å; N221-I225 PolarHBondContact O-N 3.24Å; I222-I225 PolarHBondContact O-N 3.25Å; I225-L227 VanDerWaalsContact C-N 3.31Å; I225-L227 PolarHBondContact O-N 3.3Å; I225-R228 PolarHBondContact O-N 3.25Å; I225-R228 VanDerWaalsContact O-N 3.11Å; I225-I229 HydrophobicContact CG2-CD1 3.7Å; I225-I229 HydrophobicContact CG2-CG1 4.5Å; I225-I229 WeakPolarHBondContact O-CG1 3.45Å; I225-I229 PolarHBondContact O-N 3.3Å
226S87.8Confident87.8Confident7 Ų782.4 Ų82.45%0.04944%0.437CS..Hα-helixtrans-66.3-34.2-179.860.80000112.3I222 A223 R228 I229 N230 Y231 N233 S236I222-S226 PolarHBondContact O-N 2.78Å; I222-S226 PolarHBondContact O-OG 2.84Å; I222-S226 VanDerWaalsContact O-OG 3.07Å; A223-S226 WeakPolarHBondContact CA-OG 3.31Å; A223-S226 PolarHBondContact O-OG 3.33Å; A223-S226 VanDerWaalsContact O-OG 3.12Å; S226-R228 VanDerWaalsContact C-N 3.32Å; S226-R228 PolarHBondContact O-N 3.42Å; S226-I229 PolarHBondContact O-N 3.19Å; S226-N230 PolarHBondContact O-N 3Å; S226-Y231 WeakPolarHBondContact CB-O 3.43Å; S226-Y231 PolarHBondContact O-N 2.91Å; S226-N233 VanDerWaalsContact CB-ND2 3.27Å; S226-N233 WeakPolarHBondContact CB-ND2 3.32Å; S226-N233 PolarHBondContact OG-ND2 3.28Å; S226-N233 PolarHBondContact OG-OD1 3.49Å; S226-S236 WeakPolarHBondContact OG-CB 3.45Å; S226-S236 PolarHBondContact OG-OG 2.86Å
227L86Confident87.5Confident53 Ų5382 Ų8228%0.27744%0.436SS..Hα-helixtrans-61.7-38.5171.5-171.869.6000112A223 I225 N230 H239 M240A223-L227 WeakPolarHBondContact O-CB 3.5Å; A223-L227 PolarHBondContact O-N 2.79Å; I225-L227 VanDerWaalsContact C-N 3.31Å; I225-L227 PolarHBondContact O-N 3.3Å; L227-N230 PolarHBondContact O-N 3Å; L227-N230 PolarHBondContact O-OD1 3.05Å; L227-H239 HydrophobicContact CD1-CB 4.25Å; L227-M240 HydrophobicContact CD1-CB 4.45Å; L227-M240 HydrophobicContact CD1-CG 3.56Å
228R86.2Confident87.1Confident202 Ų20280.5 Ų80.576%0.76244%0.436SS*.Hα-helixtrans-73.7-35.3179.1-172.563.8-176101.5-7.2113.3S224 I225 S226S224-R228 PolarHBondContact O-N 2.88Å; S224-R228 VanDerWaalsContact O-N 3.16Å; I225-R228 PolarHBondContact O-N 3.25Å; I225-R228 VanDerWaalsContact O-N 3.11Å; S226-R228 VanDerWaalsContact C-N 3.32Å; S226-R228 PolarHBondContact O-N 3.42Å
229I89.3Confident86.8Confident120 Ų12083.3 Ų83.362%0.61544%0.441SS*.Hα-helixtrans-79.1-9.6177.7-62.1172.7000111.2I225 S226 Y231I225-I229 HydrophobicContact CG2-CD1 3.7Å; I225-I229 HydrophobicContact CG2-CG1 4.5Å; I225-I229 WeakPolarHBondContact O-CG1 3.45Å; I225-I229 PolarHBondContact O-N 3.3Å; S226-I229 PolarHBondContact O-N 3.19Å; I229-Y231 PolarHBondContact O-N 3.45Å
230N83.1Confident86.5Confident116 Ų11682.1 Ų82.162%0.6243%0.431SS*.THydrogen-bonded Turntrans5832.4-170.7-60.2-49.3000113S226 L227 P232 M240S226-N230 PolarHBondContact O-N 3Å; L227-N230 PolarHBondContact O-N 3Å; L227-N230 PolarHBondContact O-OD1 3.05Å; N230-P232 WeakPolarHBondContact O-CD 3.34Å; N230-M240 HydrophobicContact CB-CE 4.4Å
231Y85Confident86.4Confident158 Ų15879.5 Ų79.562%0.6243%0.429SS*.  trans-93.3117174.5-168.8-96.4000109.6S226 I229 N233 S236S226-Y231 WeakPolarHBondContact CB-O 3.43Å; S226-Y231 PolarHBondContact O-N 2.91Å; I229-Y231 PolarHBondContact O-N 3.45Å; Y231-N233 PolarHBondContact O-N 3.07Å; Y231-S236 PolarHBondContact O-OG 2.89Å; Y231-S236 VanDerWaalsContact O-OG 3.05Å
232P85.6Confident86.3Confident85 Ų8576.8 Ų76.855%0.55242%0.421SS*.  trans-74.8114.8179.729.2-32.1000110.1N230 M240N230-P232 WeakPolarHBondContact O-CD 3.34Å; P232-M240 HydrophobicContact CB-SD 4.17Å
233N86.1Confident86.1Confident40 Ų4075.2 Ų75.221%0.21441%0.413CS..  trans-122.8167.7166.868.824.2000109.9S226 Y231 A235 S236 A237S226-N233 VanDerWaalsContact CB-ND2 3.27Å; S226-N233 WeakPolarHBondContact CB-ND2 3.32Å; S226-N233 PolarHBondContact OG-ND2 3.28Å; S226-N233 PolarHBondContact OG-OD1 3.49Å; Y231-N233 PolarHBondContact O-N 3.07Å; N233-A235 PolarHBondContact O-N 3.43Å; N233-A235 PolarHBondContact OD1-N 2.74Å; N233-S236 PolarHBondContact N-OG 2.94Å; N233-S236 PolarHBondContact O-N 3.03Å; N233-S236 PolarHBondContact O-OG 3.12Å; N233-S236 WeakPolarHBondContact OD1-CB 3.35Å; N233-S236 PolarHBondContact OD1-N 3.17Å; N233-S236 PolarHBondContact OD1-OG 3.33Å; N233-A237 WeakPolarHBondContact O-CB 3.37Å; N233-A237 PolarHBondContact O-N 2.85Å
234A85.1Confident86Confident101 Ų10177.1 Ų77.184%0.83543%0.429SS*.THydrogen-bonded Turntrans-55.9-28.7-177.300000113.3
235A80.2Confident86Confident32 Ų3277.9 Ų77.926%0.26442%0.424SS..THydrogen-bonded Turntrans-83.8-29.7177.800000113.6V219 A223 N233 H239V219-A235 HydrophobicContact CG1-CB 4.07Å; A223-A235 HydrophobicContact CB-CB 3.97Å; N233-A235 PolarHBondContact O-N 3.43Å; N233-A235 PolarHBondContact OD1-N 2.74Å; A235-H239 PolarHBondContact O-CD2 3.1Å
236S84.2Confident85.8Confident0 Ų079.5 Ų79.50%043%0.427CS..THydrogen-bonded Turntrans-96.7-24.8-177.960.80000114.4S226 Y231 N233 H239 M240S226-S236 WeakPolarHBondContact OG-CB 3.45Å; S226-S236 PolarHBondContact OG-OG 2.86Å; Y231-S236 PolarHBondContact O-OG 2.89Å; Y231-S236 VanDerWaalsContact O-OG 3.05Å; N233-S236 PolarHBondContact N-OG 2.94Å; N233-S236 PolarHBondContact O-N 3.03Å; N233-S236 PolarHBondContact O-OG 3.12Å; N233-S236 WeakPolarHBondContact OD1-CB 3.35Å; N233-S236 PolarHBondContact OD1-N 3.17Å; N233-S236 PolarHBondContact OD1-OG 3.33Å; S236-H239 CarbonylContact O-C 3.59Å; S236-H239 PolarHBondContact O-N 2.97Å; S236-M240 WeakPolarHBondContact O-CG 3.41Å; S236-M240 PolarHBondContact O-N 2.94Å
237A85.5Confident85.7Confident33 Ų3384.2 Ų84.227%0.27345%0.452SS..Hα-helixtrans-53.8-45.1-176.900000113.2N233 H239 M240 I241N233-A237 WeakPolarHBondContact O-CB 3.37Å; N233-A237 PolarHBondContact O-N 2.85Å; A237-H239 VanDerWaalsContact C-N 3.31Å; A237-H239 PolarHBondContact O-N 3.28Å; A237-M240 PolarHBondContact O-N 2.83Å; A237-I241 WeakPolarHBondContact O-CG1 3.41Å; A237-I241 PolarHBondContact O-N 3.35Å
238P85.6Confident85.7Confident78 Ų7886.4 Ų86.451%0.50646%0.464SS..Hα-helixtrans-61.8-38.8176.5-22.334.4000112.8A242P238-A242 WeakPolarHBondContact O-CB 3.44Å; P238-A242 PolarHBondContact O-N 3.47Å
239H86.9Confident85.4Confident106 Ų10677.7 Ų77.749%0.49143%0.432SS..Hα-helixtrans-73-34.7178.8-61.9-56.6000112.6L227 A235 S236 A237 A242 N243L227-H239 HydrophobicContact CD1-CB 4.25Å; A235-H239 PolarHBondContact O-CD2 3.1Å; S236-H239 CarbonylContact O-C 3.59Å; S236-H239 PolarHBondContact O-N 2.97Å; A237-H239 VanDerWaalsContact C-N 3.31Å; A237-H239 PolarHBondContact O-N 3.28Å; H239-A242 PolarHBondContact O-N 2.92Å; H239-N243 WeakPolarHBondContact O-CB 3.48Å; H239-N243 VanDerWaalsContact O-CG 3.24Å; H239-N243 PolarHBondContact O-N 2.87Å; H239-N243 PolarHBondContact O-ND2 3.17Å
240M86.2Confident85.1Confident48 Ų4874.9 Ų74.924%0.23643%0.427CS..Hα-helixtrans-64.6-45.8174.2-72.6-179.873.500111.2L227 N230 P232 S236 A237 N243 A244L227-M240 HydrophobicContact CD1-CB 4.45Å; L227-M240 HydrophobicContact CD1-CG 3.56Å; N230-M240 HydrophobicContact CB-CE 4.4Å; P232-M240 HydrophobicContact CB-SD 4.17Å; S236-M240 WeakPolarHBondContact O-CG 3.41Å; S236-M240 PolarHBondContact O-N 2.94Å; A237-M240 PolarHBondContact O-N 2.83Å; M240-N243 PolarHBondContact O-N 3.02Å; M240-A244 WeakPolarHBondContact O-CB 3.32Å; M240-A244 PolarHBondContact O-N 3.16Å
241I87.1Confident85.1Confident121 Ų12174.2 Ų74.262%0.62142%0.422SS*.Hα-helixtrans-63.8-44.6176.8-64.7166.6000110.2A237 N243 A244 F245A237-I241 WeakPolarHBondContact O-CG1 3.41Å; A237-I241 PolarHBondContact O-N 3.35Å; I241-N243 VanDerWaalsContact C-N 3.32Å; I241-N243 PolarHBondContact O-N 3.38Å; I241-A244 PolarHBondContact O-N 2.96Å; I241-F245 VanDerWaalsContact O-CB 3.29Å; I241-F245 WeakPolarHBondContact O-CB 3.42Å; I241-F245 PolarHBondContact O-N 3.05Å
242A86.4Confident84.8Confident43 Ų4366.9 Ų66.936%0.35539%0.394SS..Hα-helixtrans-61.3-39176.800000112.6P238 H239 K246P238-A242 WeakPolarHBondContact O-CB 3.44Å; P238-A242 PolarHBondContact O-N 3.47Å; H239-A242 PolarHBondContact O-N 2.92Å; A242-K246 VanDerWaalsContact O-CG 3.31Å; A242-K246 WeakPolarHBondContact O-CG 3.45Å; A242-K246 PolarHBondContact O-N 3.38Å
243N87.4Confident84.4Confident62 Ų6265.1 Ų65.133%0.33239%0.386SS..Hα-helixtrans-72-40.4176.6-74.5-13.1000112.3H239 M240 I241 F245 K246 N247H239-N243 WeakPolarHBondContact O-CB 3.48Å; H239-N243 VanDerWaalsContact O-CG 3.24Å; H239-N243 PolarHBondContact O-N 2.87Å; H239-N243 PolarHBondContact O-ND2 3.17Å; M240-N243 PolarHBondContact O-N 3.02Å; I241-N243 VanDerWaalsContact C-N 3.32Å; I241-N243 PolarHBondContact O-N 3.38Å; N243-F245 VanDerWaalsContact C-N 3.3Å; N243-F245 PolarHBondContact O-N 3.18Å; N243-K246 PolarHBondContact O-N 3.37Å; N243-N247 VanDerWaalsContact O-CG 3.31Å; N243-N247 PolarHBondContact O-N 2.97Å
244A86.4Confident84.1Confident51 Ų5171.6 Ų71.642%0.42142%0.415SS..Hα-helixtrans-60.2-43.6173.200000110.7M240 I241 N247 L248M240-A244 WeakPolarHBondContact O-CB 3.32Å; M240-A244 PolarHBondContact O-N 3.16Å; I241-A244 PolarHBondContact O-N 2.96Å; A244-N247 WeakPolarHBondContact O-CB 3.29Å; A244-N247 PolarHBondContact O-N 3.39Å; A244-L248 WeakPolarHBondContact O-CG 3.42Å; A244-L248 PolarHBondContact O-N 2.9Å
245F86.9Confident83.7Confident80 Ų8069.4 Ų69.435%0.35139%0.392SS..Hα-helixtrans-63.4-41.6176.2-173.4-108.5000112.4I241 N243 N247 L248 L249 F259 E261I241-F245 VanDerWaalsContact O-CB 3.29Å; I241-F245 WeakPolarHBondContact O-CB 3.42Å; I241-F245 PolarHBondContact O-N 3.05Å; N243-F245 VanDerWaalsContact C-N 3.3Å; N243-F245 PolarHBondContact O-N 3.18Å; F245-N247 VanDerWaalsContact C-N 3.32Å; F245-N247 PolarHBondContact O-N 3.01Å; F245-L248 PolarHBondContact O-N 3.15Å; F245-L249 HydrophobicContact CD1-CD1 3.61Å; F245-L249 HydrophobicContact CD1-CG 4.26Å; F245-L249 HydrophobicContact CE1-CD1 3.3Å; F245-L249 HydrophobicContact CE1-CD2 4.42Å; F245-L249 HydrophobicContact CE1-CG 3.94Å; F245-L249 HydrophobicContact CG-CD1 4.46Å; F245-L249 HydrophobicContact CZ-CD1 3.91Å; F245-L249 HydrophobicContact CZ-CD2 4.2Å; F245-L249 HydrophobicContact CZ-CG 4.08Å; F245-L249 WeakPolarHBondContact O-CB 3.34Å; F245-L249 WeakPolarHBondContact O-CG 3.28Å; F245-L249 PolarHBondContact O-N 3.43Å; F245-F259 AromaticContact CE2-CE2 3.64Å; F245-F259 HydrophobicContact CE2-CE2 3.64Å; F245-F259 HydrophobicContact CE2-CZ 4.24Å; F245-F259 HydrophobicContact CZ-CE2 4.03Å; F245-E261 HydrophobicContact CE2-CB 4.06Å; F245-E261 HydrophobicContact CZ-CB 3.59Å; F245-E261 HydrophobicContact CZ-CG 4.28Å
246K85.6Confident83.2Confident133 Ų13375.5 Ų75.558%0.57842%0.42SS*.Hα-helixtrans-59.6-40171.5-75.5173.3-177.1178.70112.6A242 N243 L249 A250A242-K246 VanDerWaalsContact O-CG 3.31Å; A242-K246 WeakPolarHBondContact O-CG 3.45Å; A242-K246 PolarHBondContact O-N 3.38Å; N243-K246 PolarHBondContact O-N 3.37Å; K246-L249 PolarHBondContact O-N 3.41Å; K246-A250 PolarHBondContact O-N 3.17Å
247N85.9Confident82.5Confident107 Ų10780.4 Ų80.457%0.57245%0.45SS*.Hα-helixtrans-66.6-41.8176.5-68.7-17000111.6N243 A244 F245 L249 A250 I251N243-N247 VanDerWaalsContact O-CG 3.31Å; N243-N247 PolarHBondContact O-N 2.97Å; A244-N247 WeakPolarHBondContact O-CB 3.29Å; A244-N247 PolarHBondContact O-N 3.39Å; F245-N247 VanDerWaalsContact C-N 3.32Å; F245-N247 PolarHBondContact O-N 3.01Å; N247-L249 VanDerWaalsContact C-N 3.35Å; N247-A250 PolarHBondContact O-N 3.28Å; N247-I251 WeakPolarHBondContact O-CG1 3.12Å; N247-I251 PolarHBondContact O-N 3.27Å
248L84.2Confident81.7Confident99 Ų9982.6 Ų82.652%0.51846%0.46SS..Hα-helixtrans-63.3-40.8174.7-69.6174.9000111.9A244 F245 I251 A252 F259A244-L248 WeakPolarHBondContact O-CG 3.42Å; A244-L248 PolarHBondContact O-N 2.9Å; F245-L248 PolarHBondContact O-N 3.15Å; L248-I251 PolarHBondContact O-N 3.11Å; L248-A252 WeakPolarHBondContact O-CB 3.13Å; L248-A252 PolarHBondContact O-N 3.07Å; L248-F259 HydrophobicContact CB-CE1 4.41Å; L248-F259 HydrophobicContact CB-CZ 4.31Å
249L81.5Confident81.1Confident19 Ų1981.5 Ų81.510%0.09945%0.447CS..Hα-helixtrans-62.8-40.9173.8-76.5170.9000112.1F245 K246 N247 I251 A252 A253 F259 A262 M265F245-L249 HydrophobicContact CD1-CD1 3.61Å; F245-L249 HydrophobicContact CD1-CG 4.26Å; F245-L249 HydrophobicContact CE1-CD1 3.3Å; F245-L249 HydrophobicContact CE1-CD2 4.42Å; F245-L249 HydrophobicContact CE1-CG 3.94Å; F245-L249 HydrophobicContact CG-CD1 4.46Å; F245-L249 HydrophobicContact CZ-CD1 3.91Å; F245-L249 HydrophobicContact CZ-CD2 4.2Å; F245-L249 HydrophobicContact CZ-CG 4.08Å; F245-L249 WeakPolarHBondContact O-CB 3.34Å; F245-L249 WeakPolarHBondContact O-CG 3.28Å; F245-L249 PolarHBondContact O-N 3.43Å; K246-L249 PolarHBondContact O-N 3.41Å; N247-L249 VanDerWaalsContact C-N 3.35Å; L249-I251 VanDerWaalsContact C-N 3.34Å; L249-I251 PolarHBondContact O-N 2.83Å; L249-A252 PolarHBondContact O-N 3.08Å; L249-A253 WeakPolarHBondContact O-CB 3.48Å; L249-A253 PolarHBondContact O-N 3.5Å; L249-F259 HydrophobicContact CD2-CE2 3.89Å; L249-F259 HydrophobicContact CD2-CZ 3.63Å; L249-F259 HydrophobicContact CG-CZ 4.05Å; L249-A262 HydrophobicContact CD2-CB 3.88Å; L249-M265 HydrophobicContact CB-CE 3.73Å; L249-M265 HydrophobicContact CB-SD 3.95Å; L249-M265 HydrophobicContact CD1-CE 3.68Å; L249-M265 HydrophobicContact CD2-CB 4.43Å; L249-M265 HydrophobicContact CD2-CE 4.05Å; L249-M265 HydrophobicContact CD2-SD 4.14Å; L249-M265 HydrophobicContact CG-CE 4.04Å
250A81.6Confident80.4Confident61 Ų6184.6 Ų84.650%0.50446%0.459SS..Hα-helixtrans-63.5-39175.100000112.3K246 N247 A253 Q254K246-A250 PolarHBondContact O-N 3.17Å; N247-A250 PolarHBondContact O-N 3.28Å; A250-A253 PolarHBondContact O-N 3.28Å; A250-Q254 PolarHBondContact O-N 3.38Å
251I83.2Confident79.6Confident102 Ų10287.7 Ų87.752%0.52347%0.473SS..Hα-helixtrans-66.2-45.3173.9-65.2164.2000110.4N247 L248 L249 A253 Q254 T255N247-I251 WeakPolarHBondContact O-CG1 3.12Å; N247-I251 PolarHBondContact O-N 3.27Å; L248-I251 PolarHBondContact O-N 3.11Å; L249-I251 VanDerWaalsContact C-N 3.34Å; L249-I251 PolarHBondContact O-N 2.83Å; I251-A253 VanDerWaalsContact C-N 3.27Å; I251-A253 PolarHBondContact O-N 2.94Å; I251-Q254 PolarHBondContact O-N 3.16Å; I251-T255 HydrophobicContact CG2-CG2 4.27Å; I251-T255 WeakPolarHBondContact O-CB 3.37Å; I251-T255 WeakPolarHBondContact O-CG2 3.46Å; I251-T255 PolarHBondContact O-N 3.31Å; I251-T255 PolarHBondContact O-OG1 3.15Å
252A80.1Confident78.5Confident4 Ų482 Ų823%0.03345%0.445CS..Hα-helixtrans-66-27.1177.400000112.8L248 L249 F259 A262 K266L248-A252 WeakPolarHBondContact O-CB 3.13Å; L248-A252 PolarHBondContact O-N 3.07Å; L249-A252 PolarHBondContact O-N 3.08Å; A252-F259 HydrophobicContact CB-CD1 4.2Å; A252-F259 HydrophobicContact CB-CE1 3.62Å; A252-F259 HydrophobicContact CB-CZ 4.43Å; A252-A262 HydrophobicContact CB-CB 4.01Å; A252-K266 WeakPolarHBondContact O-CE 3.16Å; A252-K266 PolarHBondContact O-NZ 2.87Å; A252-K266 VanDerWaalsContact O-NZ 3.12Å
253A76.6Confident77.5Confident47 Ų4784.4 Ų84.439%0.38845%0.448SS..Hα-helixtrans-68.2-35.5173.600000112.2L249 A250 I251 L269L249-A253 WeakPolarHBondContact O-CB 3.48Å; L249-A253 PolarHBondContact O-N 3.5Å; A250-A253 PolarHBondContact O-N 3.28Å; I251-A253 VanDerWaalsContact C-N 3.27Å; I251-A253 PolarHBondContact O-N 2.94Å; A253-L269 HydrophobicContact CB-CD1 3.94Å
254Q78.8Confident76.6Confident176 Ų17689 Ų8982%0.82247%0.465SS*.Hα-helixtrans-88-20.8179.9-166.965.26.900113.5A250 I251A250-Q254 PolarHBondContact O-N 3.38Å; I251-Q254 PolarHBondContact O-N 3.16Å
255T78.4Confident75.3Confident56 Ų5689.9 Ų89.934%0.34446%0.462SS..SBendtrans-111.7157-17860.30000111.7I251 V257 K266I251-T255 HydrophobicContact CG2-CG2 4.27Å; I251-T255 WeakPolarHBondContact O-CB 3.37Å; I251-T255 WeakPolarHBondContact O-CG2 3.46Å; I251-T255 PolarHBondContact O-N 3.31Å; I251-T255 PolarHBondContact O-OG1 3.15Å; T255-V257 PolarHBondContact O-N 3.29Å; T255-K266 PolarHBondContact O-NZ 3.32Å
256D68.6Low74.1Confident160 Ų16087.5 Ų87.586%0.85645%0.451SS*.SBendtrans-72.6-9.1177.5-64-45.6000113.4T258 K266D256-T258 PolarHBondContact O-N 3.23Å; D256-K266 VanDerWaalsContact C-NZ 3.29Å; D256-K266 PolarHBondContact O-NZ 2.85Å
257V70.2Confident73.2Confident102 Ų10286.7 Ų86.762%0.61845%0.449SS*.  trans-63.4120.7-179.8-1750000110T255 K266T255-V257 PolarHBondContact O-N 3.29Å; V257-K266 PolarHBondContact O-NZ 3.06Å
258T68.9Low72.1Confident79 Ų7987.3 Ų87.349%0.48544%0.444SS..  trans-108.4141.6177.153.70000110.4D256 K266D256-T258 PolarHBondContact O-N 3.23Å; T258-K266 HydrophobicContact CG2-CD 3.69Å
259F72.5Confident71Confident55 Ų5587.4 Ų87.424%0.24145%0.445CS..  trans-130.1157.4165.356.1-96.3000108.3F245 L248 L249 A252 E261 A262 E263F245-F259 AromaticContact CE2-CE2 3.64Å; F245-F259 HydrophobicContact CE2-CE2 3.64Å; F245-F259 HydrophobicContact CE2-CZ 4.24Å; F245-F259 HydrophobicContact CZ-CE2 4.03Å; L248-F259 HydrophobicContact CB-CE1 4.41Å; L248-F259 HydrophobicContact CB-CZ 4.31Å; L249-F259 HydrophobicContact CD2-CE2 3.89Å; L249-F259 HydrophobicContact CD2-CZ 3.63Å; L249-F259 HydrophobicContact CG-CZ 4.05Å; A252-F259 HydrophobicContact CB-CD1 4.2Å; A252-F259 HydrophobicContact CB-CE1 3.62Å; A252-F259 HydrophobicContact CB-CZ 4.43Å; F259-E261 HydrophobicContact CD2-CB 4.08Å; F259-E261 HydrophobicContact CE2-CB 4.03Å; F259-E261 PolarHBondContact O-N 3.05Å; F259-A262 HydrophobicContact CD1-CB 3.72Å; F259-A262 HydrophobicContact CD2-CB 3.7Å; F259-A262 VanDerWaalsContact CD2-N 3.35Å; F259-A262 HydrophobicContact CE1-CB 3.62Å; F259-A262 HydrophobicContact CE2-CB 3.56Å; F259-A262 HydrophobicContact CG-CB 3.78Å; F259-A262 HydrophobicContact CZ-CB 3.55Å; F259-A262 WeakPolarHBondContact O-CA 3.45Å; F259-A262 WeakPolarHBondContact O-CB 3.27Å; F259-A262 PolarHBondContact O-N 3.38Å; F259-E263 PolarHBondContact O-N 3.13Å; F259-E263 VanDerWaalsContact O-N 3.13Å
260K72.6Confident70.2Confident171 Ų17194.3 Ų94.374%0.74347%0.474SS*.Hα-helixtrans-49.4-38-169.4-67.5-178.9178179.10113.6
261E69.5Low69.4Low114 Ų11495.5 Ų95.553%0.53347%0.472SS..Hα-helixtrans-84.6-21.9179-56.680.5-178.700114F245 F259F245-E261 HydrophobicContact CE2-CB 4.06Å; F245-E261 HydrophobicContact CZ-CB 3.59Å; F245-E261 HydrophobicContact CZ-CG 4.28Å; F259-E261 HydrophobicContact CD2-CB 4.08Å; F259-E261 HydrophobicContact CE2-CB 4.03Å; F259-E261 PolarHBondContact O-N 3.05Å
262A63.1Low68Low2 Ų294.4 Ų94.42%0.01747%0.471CS..Hα-helixtrans-79.2-22.7174.400000113.4L249 A252 F259 K264 M265 K266L249-A262 HydrophobicContact CD2-CB 3.88Å; A252-A262 HydrophobicContact CB-CB 4.01Å; F259-A262 HydrophobicContact CD1-CB 3.72Å; F259-A262 HydrophobicContact CD2-CB 3.7Å; F259-A262 VanDerWaalsContact CD2-N 3.35Å; F259-A262 HydrophobicContact CE1-CB 3.62Å; F259-A262 HydrophobicContact CE2-CB 3.56Å; F259-A262 HydrophobicContact CG-CB 3.78Å; F259-A262 HydrophobicContact CZ-CB 3.55Å; F259-A262 WeakPolarHBondContact O-CA 3.45Å; F259-A262 WeakPolarHBondContact O-CB 3.27Å; F259-A262 PolarHBondContact O-N 3.38Å; A262-K264 VanDerWaalsContact C-N 3.29Å; A262-K264 PolarHBondContact O-N 3Å; A262-M265 PolarHBondContact O-N 3.31Å; A262-K266 PolarHBondContact O-N 3.01Å
263E66.5Low67.2Low92 Ų9298.8 Ų98.843%0.4350%0.502SS..Hα-helixtrans-57.1-43.9178.3-73.2174.3178.600111.3F259 M265 K266 E267F259-E263 PolarHBondContact O-N 3.13Å; F259-E263 VanDerWaalsContact O-N 3.13Å; E263-M265 VanDerWaalsContact C-N 3.28Å; E263-M265 PolarHBondContact O-N 2.82Å; E263-K266 PolarHBondContact O-N 3.48Å; E263-K266 VanDerWaalsContact O-N 3.15Å; E263-E267 WeakPolarHBondContact O-CG 3.24Å; E263-E267 PolarHBondContact O-N 3.07Å
264K67.5Low66.3Low160 Ų160106.3 Ų106.370%0.69652%0.52SS*.Hα-helixtrans-58.5-37.1174.4-65.3-176-179.8179.50113A262 Y268A262-K264 VanDerWaalsContact C-N 3.29Å; A262-K264 PolarHBondContact O-N 3Å; K264-Y268 WeakPolarHBondContact O-CB 3.44Å; K264-Y268 PolarHBondContact O-N 2.95Å; K264-Y268 VanDerWaalsContact O-N 3.09Å
265M58.8Low65Low69 Ų69101.8 Ų101.834%0.3450%0.498SS..Hα-helixtrans-73.8-40.4176.6-179-174.1-81.200111.6L249 A262 E263 E267 Y268 L269L249-M265 HydrophobicContact CB-CE 3.73Å; L249-M265 HydrophobicContact CB-SD 3.95Å; L249-M265 HydrophobicContact CD1-CE 3.68Å; L249-M265 HydrophobicContact CD2-CB 4.43Å; L249-M265 HydrophobicContact CD2-CE 4.05Å; L249-M265 HydrophobicContact CD2-SD 4.14Å; L249-M265 HydrophobicContact CG-CE 4.04Å; A262-M265 PolarHBondContact O-N 3.31Å; E263-M265 VanDerWaalsContact C-N 3.28Å; E263-M265 PolarHBondContact O-N 2.82Å; M265-E267 VanDerWaalsContact C-N 3.31Å; M265-E267 PolarHBondContact O-N 2.82Å; M265-Y268 WeakPolarHBondContact O-CB 3.36Å; M265-Y268 PolarHBondContact O-N 2.88Å; M265-L269 HydrophobicContact CG-CD1 4.12Å; M265-L269 HydrophobicContact CG-CG 4.47Å; M265-L269 WeakPolarHBondContact O-CG 3.05Å; M265-L269 PolarHBondContact O-N 3.23Å
266K62.7Low63.5Low30 Ų30101.9 Ų101.913%0.1350%0.504CS..Hα-helixtrans-64.9-36.3176.1-77.7-177.7175.5-1750111.8A252 T255 D256 V257 T258 A262 E263 L269 K270A252-K266 WeakPolarHBondContact O-CE 3.16Å; A252-K266 PolarHBondContact O-NZ 2.87Å; A252-K266 VanDerWaalsContact O-NZ 3.12Å; T255-K266 PolarHBondContact O-NZ 3.32Å; D256-K266 VanDerWaalsContact C-NZ 3.29Å; D256-K266 PolarHBondContact O-NZ 2.85Å; V257-K266 PolarHBondContact O-NZ 3.06Å; T258-K266 HydrophobicContact CG2-CD 3.69Å; A262-K266 PolarHBondContact O-N 3.01Å; E263-K266 PolarHBondContact O-N 3.48Å; E263-K266 VanDerWaalsContact O-N 3.15Å; K266-L269 PolarHBondContact O-N 2.95Å; K266-K270 WeakPolarHBondContact O-CB 3.44Å; K266-K270 VanDerWaalsContact O-CG 3.23Å; K266-K270 WeakPolarHBondContact O-CG 3.48Å; K266-K270 PolarHBondContact O-N 3.37Å
267E66.2Low62.6Low116 Ų11697.9 Ų97.954%0.54249%0.494SS..Hα-helixtrans-64.1-44.2170.9-73.3177.1179.900111.7E263 M265 L269 K270 D271E263-E267 WeakPolarHBondContact O-CG 3.24Å; E263-E267 PolarHBondContact O-N 3.07Å; M265-E267 VanDerWaalsContact C-N 3.31Å; M265-E267 PolarHBondContact O-N 2.82Å; E267-L269 VanDerWaalsContact C-N 3.34Å; E267-L269 PolarHBondContact O-N 2.79Å; E267-K270 PolarHBondContact O-N 3.41Å; E267-D271 PolarHBondContact O-N 3.33Å
268Y61.8Low61.4Low120 Ų12098.6 Ų98.647%0.47150%0.498SS..Hα-helixtrans-61.1-39.3174.2-175-85.2000112.9K264 M265 D271 P272 F275K264-Y268 WeakPolarHBondContact O-CB 3.44Å; K264-Y268 PolarHBondContact O-N 2.95Å; K264-Y268 VanDerWaalsContact O-N 3.09Å; M265-Y268 WeakPolarHBondContact O-CB 3.36Å; M265-Y268 PolarHBondContact O-N 2.88Å; Y268-D271 CarbonylContact O-C 3.54Å; Y268-P272 WeakPolarHBondContact O-CA 3.21Å; Y268-F275 HydrophobicContact CD2-CB 3.55Å; Y268-F275 AromaticContact CD2-CD2 3.53Å; Y268-F275 HydrophobicContact CD2-CD2 3.53Å; Y268-F275 HydrophobicContact CD2-CE2 4.37Å; Y268-F275 AromaticContact CD2-CG 3.66Å; Y268-F275 HydrophobicContact CD2-CG 3.66Å; Y268-F275 HydrophobicContact CE2-CB 3.43Å; Y268-F275 VanDerWaalsContact CE2-CB 3.43Å; Y268-F275 HydrophobicContact CE2-CD2 4.3Å; Y268-F275 HydrophobicContact CE2-CG 4.08Å; Y268-F275 HydrophobicContact CG-CD2 4.31Å
269L61.8Low59.8Low100 Ų10099.2 Ų99.252%0.52451%0.511SS..Hα-helixtrans-72.7-34.7177.5-75170.2000112.9A253 M265 K266 E267A253-L269 HydrophobicContact CB-CD1 3.94Å; M265-L269 HydrophobicContact CG-CD1 4.12Å; M265-L269 HydrophobicContact CG-CG 4.47Å; M265-L269 WeakPolarHBondContact O-CG 3.05Å; M265-L269 PolarHBondContact O-N 3.23Å; K266-L269 PolarHBondContact O-N 2.95Å; E267-L269 VanDerWaalsContact C-N 3.34Å; E267-L269 PolarHBondContact O-N 2.79Å
270K65.8Low57.9Low164 Ų164100.3 Ų100.371%0.71353%0.53SS*.Hα-helixtrans-72.2-39.9176.2-75.5174.4-179.2-177.70111.8K266 E267K266-K270 WeakPolarHBondContact O-CB 3.44Å; K266-K270 VanDerWaalsContact O-CG 3.23Å; K266-K270 WeakPolarHBondContact O-CG 3.48Å; K266-K270 PolarHBondContact O-N 3.37Å; E267-K270 PolarHBondContact O-N 3.41Å
271D62.9Low55.8Low86 Ų8696 Ų9646%0.4653%0.526SS..  trans-129.276.5-179.1-69.9-41.1000112.4E267 Y268 S273 R274E267-D271 PolarHBondContact O-N 3.33Å; Y268-D271 CarbonylContact O-C 3.54Å; D271-S273 PolarHBondContact O-N 3.36Å; D271-S273 VanDerWaalsContact O-N 3.09Å; D271-R274 PolarHBondContact O-N 2.97Å
272P54.1Low54.2Low79 Ų7996.1 Ų96.151%0.51354%0.537SS..G310 helixtrans-59.5-25.4179.4-21.731.6000113.7Y268 A276Y268-P272 WeakPolarHBondContact O-CA 3.21Å; P272-A276 PolarHBondContact O-N 3.03Å
273S64.7Low52.5Low97 Ų97103 Ų10368%0.67858%0.579SS**G310 helixtrans-74.8-21.8-177.640.70000114.1D271 F275D271-S273 PolarHBondContact O-N 3.36Å; D271-S273 VanDerWaalsContact O-N 3.09Å; S273-F275 VanDerWaalsContact C-N 3.28Å; S273-F275 PolarHBondContact O-N 3.45Å
274R57.3Low50.6Low204 Ų204107 Ų10777%0.7760%0.598SS**G310 helixtrans-73.1-19.5177.8-95.4-161.7163.1175.2-1.5114.1D271D271-R274 PolarHBondContact O-N 2.97Å
275F51.7Low49.1Very low81 Ų81104.7 Ų104.736%0.35560%0.599SS.*THydrogen-bonded Turntrans-115.9-2-177.7-63.8-81000114Y268 S273 A277 V278 A279Y268-F275 HydrophobicContact CD2-CB 3.55Å; Y268-F275 AromaticContact CD2-CD2 3.53Å; Y268-F275 HydrophobicContact CD2-CD2 3.53Å; Y268-F275 HydrophobicContact CD2-CE2 4.37Å; Y268-F275 AromaticContact CD2-CG 3.66Å; Y268-F275 HydrophobicContact CD2-CG 3.66Å; Y268-F275 HydrophobicContact CE2-CB 3.43Å; Y268-F275 VanDerWaalsContact CE2-CB 3.43Å; Y268-F275 HydrophobicContact CE2-CD2 4.3Å; Y268-F275 HydrophobicContact CE2-CG 4.08Å; Y268-F275 HydrophobicContact CG-CD2 4.31Å; S273-F275 VanDerWaalsContact C-N 3.28Å; S273-F275 PolarHBondContact O-N 3.45Å; F275-A277 PolarHBondContact O-N 3.02Å; F275-A277 VanDerWaalsContact O-N 3.17Å; F275-V278 HydrophobicContact CD1-CG2 4.33Å; F275-V278 PolarHBondContact O-N 2.9Å; F275-A279 PolarHBondContact O-N 3.43Å
276A46.1Very low47.5Very low58 Ų58108.2 Ų108.248%0.47963%0.625SS.*Hα-helixtrans-57.4-27.1170.400000112.5P272 V278 A279P272-A276 PolarHBondContact O-N 3.03Å; A276-V278 VanDerWaalsContact C-N 3.29Å; A276-V278 PolarHBondContact O-N 3.13Å; A276-A279 PolarHBondContact O-N 2.89Å
277A49.8Very low45.7Very low77 Ų77116.6 Ų116.664%0.63666%0.662SS**Hα-helixtrans-69.7-21173.500000113.9F275F275-A277 PolarHBondContact O-N 3.02Å; F275-A277 VanDerWaalsContact O-N 3.17Å
278V44.6Very low43.6Very low116 Ų116119.9 Ų119.970%0.70368%0.677SS**Hα-helixtrans-88.6-23.9179.4-167.60000111.5F275 A276 A280F275-V278 HydrophobicContact CD1-CG2 4.33Å; F275-V278 PolarHBondContact O-N 2.9Å; A276-V278 VanDerWaalsContact C-N 3.29Å; A276-V278 PolarHBondContact O-N 3.13Å; V278-A280 VanDerWaalsContact C-N 3.27Å
279A36Very low41.7Very low92 Ų92121 Ų12176%0.7670%0.696SS**Hα-helixtrans-77.2-14.6171.700000113F275 A276F275-A279 PolarHBondContact O-N 3.43Å; A276-A279 PolarHBondContact O-N 2.89Å
280A31.6Very low39.7Very low78 Ų78126.1 Ų126.165%0.64571%0.714SS**SBendtrans-118.362.5-17700000111.5V278V278-A280 VanDerWaalsContact C-N 3.27Å
281A29.6Very low37.8Very low80 Ų80122.7 Ų122.766%0.66172%0.716SS**SBendtrans-148.5137.8157.500000111.2
282P36Very low35.9Very low117 Ų117128 Ų12876%0.7674%0.738SS**  trans-91.8149.3-145.4-2.623.3000112.4E284P282-E284 PolarHBondContact O-N 2.73Å
283T27.7Very low34.5Very low147 Ų147128.9 Ų128.990%0.90275%0.752SS**  trans-59101.6160.347.90000109.7
284E26.1Very low32.5Very low177 Ų177128.8 Ų128.883%0.82776%0.758SS**  trans-128.4146.6161.8-85.1-160.3164.900111.2P282P282-E284 PolarHBondContact O-N 2.73Å
285P35.9Very low31.2Very low110 Ų110124.9 Ų124.971%0.71476%0.759SS**  trans-96.3144.3-14321.6-7.6000112.7K287P285-K287 PolarHBondContact O-N 2.87Å
286T24.5Very low29.8Very low144 Ų144130.6 Ų130.688%0.88378%0.783SS**  trans-44105.2168.4390000111.8
287K24.5Very low29.1Very low206 Ų206137.2 Ų137.290%0.89680%0.804SS**  trans-96.2111.3159.6-103.5-178.8178.1176.30109.1P285P285-K287 PolarHBondContact O-N 2.87Å
288E22.2Very low27.7Very low185 Ų185142 Ų14286%0.86481%0.814SS**  trans-52.6133.3160.2-59.7171.9142.500110.3
289T22.7Very low26.9Very low143 Ų143142.3 Ų142.388%0.87782%0.818SS**  trans-159.3126.913818.60000111
290K20.7Very low26.2Very low208 Ų208147.3 Ų147.390%0.90482%0.823SS**  trans-50.9144.6163.1-77.6163.9160.3173.60113.9
291A26.2Very low26Very low91 Ų91152.5 Ų152.575%0.75283%0.833SS**  trans175.2105.6136.100000106.6
292E21.2Very low25.6Very low197 Ų197157.2 Ų157.292%0.92184%0.842SS**  62.3102.580.3-160.1171.2-148.900113.9
293A25.7Very low25.3Very low98 Ų98157.6 Ų157.681%0.8185%0.847SS**  trans167123.513300000112.3
294A23.1Very low25Very low96 Ų96158.7 Ų158.779%0.79384%0.842SS**  trans-72.9154.6158.400000110.4
295P30.1Very low25Very low121 Ų121158.7 Ų158.779%0.78684%0.842SS**  -145.8138.191.631.4-11.6000113.3
296K22.5Very low24.7Very low201 Ų201163.4 Ų163.487%0.87485%0.854SS**  74.8103.884-152.2-175.7-168.6-176.70114.6
297E29.5Very low24.8Very low197 Ų197164 Ų16492%0.92185%0.852SS**  trans-171.8124.7136.9-107.9175-175.800111.6
298E22.1Very low25.4Very low178 Ų178160.9 Ų160.983%0.83285%0.85SS**  trans-88.5154.2162.6-67.9177.8154.300108.3
299P27.2Very low25.9Very low122 Ų122155.2 Ų155.279%0.79284%0.841SS**  -141.9142.573.330.3-8.9000113.8
300K20.7Very low26.7Very low198 Ų198157.2 Ų157.286%0.86184%0.843SS**  61.3102.982.5-109.4-170.8-177.4-173.20116
301E27.7Very low27.4Very low186 Ų186151.2 Ų151.287%0.86984%0.84SS**  trans-164.496.5143.9-105.8179.2-178.700105.5
302E21.9Very low28Very low180 Ų180150 Ų15084%0.84184%0.836SS**  60.191.7101.3-83.3-179.4-170.200114.6
303S29.5Very low29.3Very low124 Ų124149 Ų14987%0.86784%0.836SS**  trans-142.980.7141.767.30000107.2
304E21.8Very low30.2Very low170 Ų170154.2 Ų154.279%0.79484%0.841SS**  trans-71.9158.4165-68.7-174.9148.100110.2
305E24.7Very low31Very low178 Ų178156.5 Ų156.583%0.83284%0.84SS**  trans82.387.6165-56.9-170.3159.200117.9
306E31.2Very low32.1Very low208 Ų208163.9 Ų163.997%0.97286%0.86SS**  -152.175.7115.2-104.2178-162.400108.4
307D25.1Very low32.5Very low157 Ų157162 Ų16284%0.8486%0.86SS**  trans-79.1124.4164.2-137.9-15.7000107.4
308V37.9Very low32.7Very low140 Ų140160.2 Ų160.285%0.84886%0.856SS**  173.5123.6129.1171.20000107.4
309G32.1Very low33.3Very low66 Ų66159.2 Ų159.268%0.6886%0.858SS**  trans-73.5158.8-163.300000116.8
310M40.6Very low33.6Very low186 Ų186161.4 Ų161.492%0.91686%0.862SS**  trans-135.185.8149.6-104.4-63.5174.700108.7G312M310-G312 PolarHBondContact O-N 3.37Å
311G34.1Very low34.4Very low82 Ų82159.1 Ų159.185%0.84586%0.862SS**  trans-68.9114.5162.500000109.1
312G38.3Very low34.9Very low65 Ų65157.3 Ų157.367%0.6786%0.861SS**  trans-17630.7-179.800000116.2M310M310-G312 PolarHBondContact O-N 3.37Å
313L49.1Very low35.8Very low176 Ų176155.6 Ų155.692%0.92186%0.862SS**  trans-11224.3177.4-92.4151.2000113.9
314F45.1Very low36.3Very low208 Ų208158.1 Ų158.191%0.91286%0.862SS**  trans-112.781.6157-70.7-77.8000108.3
315D40.7Very low37.5Very low143 Ų143157.1 Ų157.177%0.76587%0.868SS**  trans-143.7132.1156.3-121.4-10.1000109.5
316F51.5Low38.7Very low276 Ų276155.2 Ų155.2100%1.21187%0.871SS**  trans96.40-173.2-50-58.3000117.1

Retrieved 316 of 316 residues in 52.4 ms (Link to these results)

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