A0A096MDQ9_POEFO Loading...

DNA sliding clamp PCNA

This protein is an auxiliary protein of DNA polymerase delta and is involved in the control of eukaryotic DNA replication by increasing the polymerase's processivity during elongation of the leading strand.

AlphaFold DB , UniProt , Accession A0A096MDQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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
1M89.8Confident94.4Very high73 Ų7337.2 Ų37.236%0.3619%0.186SC..  0145.80-177-177.1-175.700109.6D63 D94M1-D63 WeakPolarHBondContact CB-OD2 3.45Å; M1-D63 PolarHBondContact N-OD2 2.94Å; M1-D63 PolarHBondContact O-N 3.45Å; M1-D94 WeakPolarHBondContact CA-OD1 3.43Å; M1-D94 VanDerWaalsContact N-CG 3.29Å; M1-D94 PolarHBondContact N-OD1 2.64Å; M1-D94 PolarHBondContact N-OD2 3.26Å
2F96.4Very high94.4Very high0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-113.1132.3170165.6-119.5000111A4 V30 I35 Y60 R61 C62 L66 M68 L90 R91 A92F2-A4 HydrophobicContact CE2-CB 3.63Å; F2-A4 HydrophobicContact CZ-CB 3.62Å; F2-V30 HydrophobicContact CB-CG1 4.46Å; F2-V30 HydrophobicContact CD1-CG1 4.34Å; F2-V30 HydrophobicContact CD1-CG2 4.49Å; F2-V30 HydrophobicContact CD2-CG1 3.25Å; F2-V30 HydrophobicContact CE1-CG1 4.44Å; F2-V30 HydrophobicContact CE1-CG2 4.26Å; F2-V30 HydrophobicContact CE2-CG1 3.36Å; F2-V30 HydrophobicContact CE2-CG2 4.41Å; F2-V30 HydrophobicContact CG-CG1 3.77Å; F2-V30 HydrophobicContact CZ-CG1 3.98Å; F2-V30 HydrophobicContact CZ-CG2 4.21Å; F2-I35 HydrophobicContact CE2-CD1 4.46Å; F2-I35 HydrophobicContact CZ-CD1 3.86Å; F2-I35 HydrophobicContact CZ-CG1 4.35Å; F2-Y60 AromaticContact CE2-CE2 3.83Å; F2-Y60 HydrophobicContact CE2-CE2 3.83Å; F2-R61 CarbonylContact C-O 3.57Å; F2-R61 WeakPolarHBondContact CA-O 3.15Å; F2-R61 WeakPolarHBondContact CD2-O 3.1Å; F2-C62 HydrophobicContact CD2-CB 4.49Å; F2-L66 HydrophobicContact CB-CD1 3.51Å; F2-L66 HydrophobicContact CG-CD1 4.45Å; F2-M68 HydrophobicContact CD1-CE 4.23Å; F2-M68 HydrophobicContact CD1-SD 4.1Å; F2-M68 HydrophobicContact CE1-CE 3.86Å; F2-M68 HydrophobicContact CE1-SD 4.29Å; F2-L90 HydrophobicContact CE1-CB 4Å; F2-L90 HydrophobicContact CZ-CB 4.3Å; F2-R91 WeakPolarHBondContact O-CA 3.38Å; F2-A92 HydrophobicContact CB-CB 4.43Å; F2-A92 HydrophobicContact CD1-CB 4.07Å; F2-A92 PolarHBondContact N-O 3.4Å; F2-A92 PolarHBondContact O-N 2.81Å
3E97.6Very high94.5Very high46 Ų4635 Ų3522%0.21517%0.174CC..EExtended strand (participates in β ladder)trans-144.5129.2170.4-178.9162.8150.500110.1Y60 R61 T89 L90 R91E3-Y60 CarbonylContact O-C 3.57Å; E3-Y60 WeakPolarHBondContact O-CA 3.31Å; E3-R61 PolarHBondContact N-O 2.85Å; E3-R61 PolarHBondContact O-N 2.93Å; E3-T89 HydrophobicContact CG-CG2 3.93Å; E3-L90 CarbonylContact C-O 3.53Å; E3-L90 VanDerWaalsContact CA-O 3.29Å; E3-L90 WeakPolarHBondContact CA-O 3.32Å; E3-R91 HydrophobicContact CB-CG 4.33Å; E3-R91 VanDerWaalsContact CD-NE 3.25Å; E3-R91 HydrophobicContact CG-CG 3.99Å; E3-R91 IonicContact OE1-CZ 3.04Å; E3-R91 IonicContact OE1-NE 2.63Å; E3-R91 IonicContact OE1-NH2 2.75Å; E3-R91 PolarHBondContact OE1-NH2 2.82Å; E3-R91 IonicContact OE2-CZ 3.77Å; E3-R91 IonicContact OE2-NE 3.3Å; E3-R91 PolarHBondContact OE2-NE 3.17Å; E3-R91 IonicContact OE2-NH2 3.44Å; E3-R91 PolarHBondContact OE2-NH2 3.25Å
4A97.7Very high94.6Very high1 Ų138.3 Ų38.31%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-136.7122.317500000110.8F2 F57 Y60 T89 L90F2-A4 HydrophobicContact CE2-CB 3.63Å; F2-A4 HydrophobicContact CZ-CB 3.62Å; A4-F57 HydrophobicContact CB-CD1 3.89Å; A4-F57 HydrophobicContact CB-CE1 3.96Å; A4-F57 HydrophobicContact CB-CG 4.4Å; A4-Y60 HydrophobicContact CB-CD2 3.71Å; A4-Y60 HydrophobicContact CB-CE2 3.93Å; A4-T89 CarbonylContact O-C 3.58Å; A4-T89 WeakPolarHBondContact O-CA 3.34Å; A4-L90 PolarHBondContact N-O 2.88Å; A4-L90 PolarHBondContact O-N 3.1Å
5R97.4Very high94.7Very high48 Ų4835.7 Ų35.718%0.18117%0.174CC..EExtended strand (participates in β ladder)trans-109.5120.9-177.7-173.9176-172.8-85.11111.3F57 D58 S59 I87 T89R5-F57 WeakPolarHBondContact O-CB 3.44Å; R5-D58 IonicContact CZ-OD2 3.5Å; R5-D58 IonicContact NH1-OD2 3.42Å; R5-D58 PolarHBondContact NH1-OD2 3.23Å; R5-D58 PolarHBondContact O-N 2.89Å; R5-S59 WeakPolarHBondContact CB-OG 3.33Å; R5-S59 PolarHBondContact N-O 3.36Å; R5-I87 HydrophobicContact CG-CG2 3.93Å; R5-T89 HydrophobicContact CB-CG2 4.42Å
6L95.3Very high94.8Very high10 Ų1033.6 Ų33.65%0.05216%0.163CC..EExtended strand (participates in β ladder)trans-114.7111.5-178.9-17068000110.2Q8 I11 L12 F57 I87 I88 M244L6-Q8 WeakPolarHBondContact CD2-O 3.44Å; L6-I11 HydrophobicContact CD2-CB 4.19Å; L6-L12 HydrophobicContact CD2-CB 4.09Å; L6-F57 HydrophobicContact CB-CD1 4.19Å; L6-F57 HydrophobicContact CB-CE1 4.44Å; L6-F57 HydrophobicContact CD1-CD1 4.13Å; L6-F57 HydrophobicContact CD1-CE1 4.34Å; L6-I87 WeakPolarHBondContact O-CA 3.46Å; L6-I88 PolarHBondContact N-O 3.02Å; L6-I88 PolarHBondContact O-N 3.06Å; L6-M244 HydrophobicContact CD1-CE 3.88Å; L6-M244 HydrophobicContact CD1-SD 4.38Å
7V93.3Very high94.8Very high61 Ų6135.8 Ų35.837%0.3717%0.173SC..SBendtrans-64.6-41.3179.8175.60000111.3G9 D58V7-G9 PolarHBondContact O-N 2.93Å; V7-D58 HydrophobicContact CG2-CB 3.62Å
8Q90.3Very high94.9Very high125 Ų12533.9 Ų33.958%0.58417%0.165SC*.SBendtrans-9272.4174.2-66.4-176.24.300110.3L6 S10 I11L6-Q8 WeakPolarHBondContact CD2-O 3.44Å; Q8-S10 PolarHBondContact O-N 2.6Å; Q8-I11 HydrophobicContact CB-CD1 3.84Å; Q8-I11 HydrophobicContact CB-CG1 4.14Å; Q8-I11 WeakPolarHBondContact O-CB 2.95Å; Q8-I11 PolarHBondContact O-N 3.3Å
9G90.9Very high94.9Very high0 Ų032.2 Ų32.20%016%0.156CC..THydrogen-bonded Turntrans-55.7-27.4-177.200000114.6V7 I11 L12 D86 I88V7-G9 PolarHBondContact O-N 2.93Å; G9-I11 PolarHBondContact O-N 3.32Å; G9-I11 VanDerWaalsContact O-N 3.14Å; G9-L12 PolarHBondContact O-N 3.33Å; G9-L12 VanDerWaalsContact O-N 3.09Å; G9-D86 VanDerWaalsContact CA-O 3.31Å; G9-D86 WeakPolarHBondContact CA-O 3.28Å; G9-D86 PolarHBondContact N-O 3.11Å; G9-D86 VanDerWaalsContact N-O 3.17Å; G9-I88 WeakPolarHBondContact O-CD1 3.27Å
10S94.3Very high94.7Very high26 Ų2633 Ų3318%0.18216%0.159CC..Hα-helixtrans-59.3-23.1175.559.40000114.5Q8 K13 K14 N84Q8-S10 PolarHBondContact O-N 2.6Å; S10-K13 WeakPolarHBondContact O-CB 3.28Å; S10-K13 PolarHBondContact O-N 3.47Å; S10-K14 VanDerWaalsContact O-CG 3.3Å; S10-K14 WeakPolarHBondContact O-CG 3.42Å; S10-K14 PolarHBondContact O-N 3.13Å; S10-N84 VanDerWaalsContact CB-O 3.27Å; S10-N84 WeakPolarHBondContact CB-O 3.33Å; S10-N84 PolarHBondContact OG-O 3.26Å
11I95.1Very high94.5Very high19 Ų1935 Ų3510%0.09717%0.171CC..Hα-helixtrans-61.9-46.6174.2-64.8172.4000110.3L6 Q8 G9 K13 K14 V15 L221 I241 M244L6-I11 HydrophobicContact CD2-CB 4.19Å; Q8-I11 HydrophobicContact CB-CD1 3.84Å; Q8-I11 HydrophobicContact CB-CG1 4.14Å; Q8-I11 WeakPolarHBondContact O-CB 2.95Å; Q8-I11 PolarHBondContact O-N 3.3Å; G9-I11 PolarHBondContact O-N 3.32Å; G9-I11 VanDerWaalsContact O-N 3.14Å; I11-K13 VanDerWaalsContact C-N 3.27Å; I11-K13 PolarHBondContact O-N 2.91Å; I11-K14 WeakPolarHBondContact O-CB 3.27Å; I11-K14 PolarHBondContact O-N 2.96Å; I11-K14 VanDerWaalsContact O-N 3.1Å; I11-V15 HydrophobicContact CG2-CG2 4.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.19Å; I11-V15 PolarHBondContact O-N 2.81Å; I11-L221 HydrophobicContact CG2-CD2 4.36Å; I11-I241 HydrophobicContact CG2-CG2 3.47Å; I11-I241 VanDerWaalsContact CG2-CG2 3.47Å; I11-M244 HydrophobicContact CD1-SD 3.96Å; I11-M244 HydrophobicContact CG2-SD 3.69Å
12L94.7Very high94.7Very high7 Ų732.3 Ų32.34%0.03716%0.158CC..Hα-helixtrans-62.4-37.9-179.9-168.964.1000111.6L6 G9 V15 L16 W28 M75 L79 I88 L90L6-L12 HydrophobicContact CD2-CB 4.09Å; G9-L12 PolarHBondContact O-N 3.33Å; G9-L12 VanDerWaalsContact O-N 3.09Å; L12-V15 PolarHBondContact O-N 3.33Å; L12-L16 PolarHBondContact O-N 2.06Å; L12-W28 HydrophobicContact CD1-CH2 3.55Å; L12-W28 HydrophobicContact CD1-CZ3 3.9Å; L12-M75 HydrophobicContact CD2-CE 4.28Å; L12-L79 HydrophobicContact CD2-CD1 4.13Å; L12-L79 HydrophobicContact CD2-CD2 3.82Å; L12-L79 HydrophobicContact CG-CD1 3.9Å; L12-L79 HydrophobicContact CG-CD2 4.35Å; L12-I88 HydrophobicContact CD2-CG2 3.97Å; L12-L90 HydrophobicContact CD2-CD1 4.12Å; L12-L90 HydrophobicContact CD2-CD2 4.07Å; L12-L90 HydrophobicContact CD2-CG 4.38Å
13K95.2Very high94.5Very high39 Ų3932.7 Ų32.717%0.1716%0.16CC..Hα-helixtrans-59-49.3172.9-61.5173.371.4176.10110.8S10 I11 L16 E17 L79 A82 N84S10-K13 WeakPolarHBondContact O-CB 3.28Å; S10-K13 PolarHBondContact O-N 3.47Å; I11-K13 VanDerWaalsContact C-N 3.27Å; I11-K13 PolarHBondContact O-N 2.91Å; K13-L16 PolarHBondContact O-N 2.79Å; K13-E17 WeakPolarHBondContact O-CG 3.45Å; K13-E17 PolarHBondContact O-N 2.84Å; K13-L79 WeakPolarHBondContact CE-O 3.45Å; K13-L79 HydrophobicContact CG-CB 4.14Å; K13-A82 PolarHBondContact NZ-O 3.34Å; K13-N84 PolarHBondContact NZ-OD1 3.38Å
14K96.3Very high94.3Very high81 Ų8134.8 Ų34.835%0.35218%0.176SC..Hα-helixtrans-64.1-39.5179.2-69.1168.7177.9-172.60112.2S10 I11 E17 A18 P220 L221S10-K14 VanDerWaalsContact O-CG 3.3Å; S10-K14 WeakPolarHBondContact O-CG 3.42Å; S10-K14 PolarHBondContact O-N 3.13Å; I11-K14 WeakPolarHBondContact O-CB 3.27Å; I11-K14 PolarHBondContact O-N 2.96Å; I11-K14 VanDerWaalsContact O-N 3.1Å; K14-E17 PolarHBondContact O-N 2.89Å; K14-A18 WeakPolarHBondContact O-CB 3.11Å; K14-A18 PolarHBondContact O-N 3.33Å; K14-P220 HydrophobicContact CD-CB 4.09Å; K14-P220 WeakPolarHBondContact CD-O 3.38Å; K14-P220 HydrophobicContact CG-CB 4.22Å; K14-P220 PolarHBondContact NZ-O 3.42Å; K14-L221 HydrophobicContact CB-CD2 3.42Å; K14-L221 VanDerWaalsContact CB-CD2 3.42Å; K14-L221 HydrophobicContact CB-CG 3.97Å; K14-L221 HydrophobicContact CD-CD2 4.23Å
15V96.4Very high94.1Very high0 Ų038.9 Ų38.90%020%0.195CC..Hα-helixtrans-59.2-49.2175.2169.50000110.1I11 L12 E17 A18 L19 L50 L221 I241 I247I11-V15 HydrophobicContact CG2-CG2 4.25Å; I11-V15 WeakPolarHBondContact O-CG2 3.19Å; I11-V15 PolarHBondContact O-N 2.81Å; L12-V15 PolarHBondContact O-N 3.33Å; V15-E17 PolarHBondContact O-N 3.15Å; V15-A18 WeakPolarHBondContact O-CB 3.39Å; V15-A18 PolarHBondContact O-N 2.89Å; V15-A18 VanDerWaalsContact O-N 3.11Å; V15-L19 HydrophobicContact CG1-CD1 3.9Å; V15-L19 WeakPolarHBondContact O-CG 3.38Å; V15-L19 PolarHBondContact O-N 2.82Å; V15-L50 HydrophobicContact CG1-CD1 3.88Å; V15-L50 HydrophobicContact CG1-CD2 3.65Å; V15-L50 HydrophobicContact CG1-CG 4.43Å; V15-L50 HydrophobicContact CG2-CD1 4.46Å; V15-L221 HydrophobicContact CG2-CD1 4.34Å; V15-L221 HydrophobicContact CG2-CD2 3.88Å; V15-I241 HydrophobicContact CG2-CD1 3.77Å; V15-I247 HydrophobicContact CG1-CD1 4.29Å; V15-I247 HydrophobicContact CG2-CD1 4.39Å
16L95.4Very high93.9Very high1 Ų136.8 Ų36.81%0.00519%0.188CC..Hα-helixtrans-65.2-39.2179.2-70.7-143.3000113.4L12 K13 A18 L19 K20 W28 L72 M75 L79L12-L16 PolarHBondContact O-N 2.06Å; K13-L16 PolarHBondContact O-N 2.79Å; L16-A18 PolarHBondContact O-N 2.89Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-L19 VanDerWaalsContact O-N 3.1Å; L16-K20 WeakPolarHBondContact O-CB 3.32Å; L16-K20 WeakPolarHBondContact O-CG 3.44Å; L16-K20 PolarHBondContact O-N 2.92Å; L16-W28 HydrophobicContact CD2-CH2 4.03Å; L16-W28 HydrophobicContact CD2-CZ2 3.55Å; L16-L72 HydrophobicContact CD2-CD2 4.31Å; L16-M75 HydrophobicContact CD1-CB 3.59Å; L16-M75 HydrophobicContact CD1-CG 3.58Å; L16-M75 HydrophobicContact CD1-SD 3.77Å; L16-M75 HydrophobicContact CD2-SD 4.31Å; L16-L79 HydrophobicContact CD1-CD1 3.53Å; L16-L79 HydrophobicContact CG-CD1 3.71Å
17E94.8Very high93.9Very high71 Ų7136.7 Ų36.733%0.33219%0.188SC..Hα-helixtrans-61.4-29.3175-69.4-65121.700112.2K13 K14 V15 K20 S76K13-E17 WeakPolarHBondContact O-CG 3.45Å; K13-E17 PolarHBondContact O-N 2.84Å; K14-E17 PolarHBondContact O-N 2.89Å; V15-E17 PolarHBondContact O-N 3.15Å; E17-K20 WeakPolarHBondContact OE1-CE 3.43Å; E17-K20 IonicContact OE1-NZ 3.5Å; E17-K20 PolarHBondContact OE1-NZ 2.84Å; E17-K20 VanDerWaalsContact OE2-CE 3.3Å; E17-K20 WeakPolarHBondContact OE2-CE 3.48Å; E17-K20 IonicContact OE2-NZ 2.6Å; E17-K20 PolarHBondContact OE2-NZ 3.33Å; E17-S76 PolarHBondContact OE1-OG 2.81Å
18A96.6Very high94Very high3 Ų333.8 Ų33.83%0.02517%0.17CC..Hα-helixtrans-80-13.2176.600000114.2K14 V15 L16 A218 L221 I247 Y249K14-A18 WeakPolarHBondContact O-CB 3.11Å; K14-A18 PolarHBondContact O-N 3.33Å; V15-A18 WeakPolarHBondContact O-CB 3.39Å; V15-A18 PolarHBondContact O-N 2.89Å; V15-A18 VanDerWaalsContact O-N 3.11Å; L16-A18 PolarHBondContact O-N 2.89Å; A18-A218 HydrophobicContact CB-CB 3.9Å; A18-L221 HydrophobicContact CB-CD1 4.19Å; A18-I247 HydrophobicContact CB-CD1 4.06Å; A18-Y249 WeakPolarHBondContact CB-OH 3.34Å; A18-Y249 PolarHBondContact O-OH 3.33Å
19L95.8Very high94.2Very high0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-110.5-40.5-176.2-64.2176.7000113.4V15 L16 D21 L22 I23 L37 V48 L50 L72 I247V15-L19 HydrophobicContact CG1-CD1 3.9Å; V15-L19 WeakPolarHBondContact O-CG 3.38Å; V15-L19 PolarHBondContact O-N 2.82Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-L19 VanDerWaalsContact O-N 3.1Å; L19-D21 PolarHBondContact O-N 3.03Å; L19-L22 PolarHBondContact O-N 3.39Å; L19-I23 HydrophobicContact CB-CD1 4.36Å; L19-I23 HydrophobicContact CB-CG1 4.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.2Å; L19-I23 PolarHBondContact O-N 3.42Å; L19-L37 HydrophobicContact CD1-CD1 4.37Å; L19-V48 HydrophobicContact CD2-CB 4.32Å; L19-V48 HydrophobicContact CD2-CG1 4.1Å; L19-V48 HydrophobicContact CD2-CG2 3.37Å; L19-L50 HydrophobicContact CD1-CD2 4.25Å; L19-L72 HydrophobicContact CB-CD1 3.98Å; L19-I247 HydrophobicContact CD2-CG2 4.43Å
20K91.4Very high94.4Very high48 Ų4829.5 Ų29.521%0.20915%0.151CC..THydrogen-bonded Turntrans-60.1-21.8-164.569.7176.9-174.6-177.50116L16 E17 I23 L72L16-K20 WeakPolarHBondContact O-CB 3.32Å; L16-K20 WeakPolarHBondContact O-CG 3.44Å; L16-K20 PolarHBondContact O-N 2.92Å; E17-K20 WeakPolarHBondContact OE1-CE 3.43Å; E17-K20 IonicContact OE1-NZ 3.5Å; E17-K20 PolarHBondContact OE1-NZ 2.84Å; E17-K20 VanDerWaalsContact OE2-CE 3.3Å; E17-K20 WeakPolarHBondContact OE2-CE 3.48Å; E17-K20 IonicContact OE2-NZ 2.6Å; E17-K20 PolarHBondContact OE2-NZ 3.33Å; K20-I23 CarbonylContact C-O 3.54Å; K20-I23 WeakPolarHBondContact CA-O 3.41Å; K20-L72 HydrophobicContact CB-CB 4.39Å
21D90.6Very high94.5Very high76 Ų7629.3 Ų29.341%0.40615%0.15SC..THydrogen-bonded Turntrans-95.9-10.9-178.3-62.3-44.1000112L19 F214 K217L19-D21 PolarHBondContact O-N 3.03Å; D21-F214 HydrophobicContact CB-CD1 4.5Å; D21-K217 HydrophobicContact CB-CD 4.42Å; D21-K217 VanDerWaalsContact CB-NZ 3.3Å; D21-K217 WeakPolarHBondContact OD2-CD 3.47Å; D21-K217 WeakPolarHBondContact OD2-CE 3.36Å; D21-K217 IonicContact OD2-NZ 2.8Å; D21-K217 PolarHBondContact OD2-NZ 3.17Å
22L92.7Very high94.5Very high17 Ų1732.8 Ų32.89%0.08918%0.176CC..THydrogen-bonded Turntrans-96.1-39.4173.2-173.367.2000111.1L19 D41 V48 Y211 F214 F215 Y249L19-L22 PolarHBondContact O-N 3.39Å; L22-D41 HydrophobicContact CD1-CB 3.96Å; L22-D41 HydrophobicContact CG-CB 4.3Å; L22-V48 HydrophobicContact CD2-CB 3.88Å; L22-V48 HydrophobicContact CD2-CG1 4.13Å; L22-Y211 HydrophobicContact CD1-CD1 3.86Å; L22-Y211 HydrophobicContact CD1-CE1 4Å; L22-F214 HydrophobicContact CD1-CD2 4.19Å; L22-F215 HydrophobicContact CD1-CE1 4.25Å; L22-F215 HydrophobicContact CD2-CE1 4.03Å; L22-Y249 HydrophobicContact CD2-CD1 3.85Å; L22-Y249 HydrophobicContact CD2-CE1 4.01Å
23I93.8Very high94.5Very high7 Ų736.2 Ų36.24%0.03620%0.2CC..  trans-135139.5-176.347.7164.2000110.4L19 K20 A26 L37 M40 V48 L72L19-I23 HydrophobicContact CB-CD1 4.36Å; L19-I23 HydrophobicContact CB-CG1 4.3Å; L19-I23 WeakPolarHBondContact O-CG1 3.2Å; L19-I23 PolarHBondContact O-N 3.42Å; K20-I23 CarbonylContact C-O 3.54Å; K20-I23 WeakPolarHBondContact CA-O 3.41Å; I23-A26 HydrophobicContact CD1-CB 3.96Å; I23-L37 HydrophobicContact CD1-CD1 4.43Å; I23-L37 HydrophobicContact CD1-CD2 4.01Å; I23-M40 WeakPolarHBondContact CG2-O 3.36Å; I23-V48 HydrophobicContact CD1-CG1 3.67Å; I23-V48 HydrophobicContact CG1-CG1 4.24Å; I23-V48 HydrophobicContact CG2-CG1 4.39Å; I23-L72 HydrophobicContact CB-CD1 4.47Å; I23-L72 HydrophobicContact CD1-CD1 3.56Å; I23-L72 HydrophobicContact CG1-CD1 3.6Å
24T92.3Very high94.6Very high91 Ų9134.5 Ų34.556%0.55819%0.194SC*.SBendtrans-90.2-42.6-179.2-57.10000111.6L72T24-L72 PolarHBondContact O-N 3.33Å
25E93Very high94.7Very high87 Ų8730.7 Ų30.741%0.40718%0.177SC..EExtended strand (participates in β ladder)trans-133.2143-175.6-72.7165.1-171.200108.8V70 N71 M119 L121E25-V70 WeakPolarHBondContact CA-O 3.41Å; E25-N71 HydrophobicContact CG-CB 4.22Å; E25-N71 PolarHBondContact OE1-ND2 3.06Å; E25-N71 VanDerWaalsContact OE1-ND2 3.11Å; E25-M119 HydrophobicContact CB-SD 4.24Å; E25-M119 VanDerWaalsContact CD-SD 3.58Å; E25-M119 HydrophobicContact CG-CE 4.23Å; E25-M119 HydrophobicContact CG-SD 3.74Å; E25-L121 HydrophobicContact CB-CD1 4.25Å; E25-L121 HydrophobicContact CB-CD2 4.42Å
26A93.9Very high94.7Very high4 Ų432.7 Ų32.73%0.03319%0.191CC..EExtended strand (participates in β ladder)trans-158155.4177.600000110.7I23 L37 V70 L121I23-A26 HydrophobicContact CD1-CB 3.96Å; A26-L37 HydrophobicContact CB-CD1 3.37Å; A26-L37 HydrophobicContact CB-CD2 4.49Å; A26-L37 HydrophobicContact CB-CG 3.91Å; A26-V70 PolarHBondContact N-O 3.21Å; A26-V70 VanDerWaalsContact N-O 3.16Å; A26-V70 VanDerWaalsContact O-CG2 3.31Å; A26-V70 WeakPolarHBondContact O-CG2 3.05Å; A26-V70 PolarHBondContact O-N 2.98Å; A26-L121 VanDerWaalsContact C-CD1 3.46Å
27C94.8Very high94.7Very high7 Ų732.7 Ų32.75%0.04719%0.191CC..EExtended strand (participates in β ladder)trans-89.8132.1171.9-1680000110.5A67 M68 V123C27-A67 VanDerWaalsContact SG-C 3.51Å; C27-A67 VanDerWaalsContact SG-CA 3.55Å; C27-A67 VanDerWaalsContact SG-CB 3.52Å; C27-M68 WeakPolarHBondContact CA-O 3.15Å; C27-M68 PolarHBondContact SG-N 3.03Å; C27-V123 HydrophobicContact CB-CB 4.26Å; C27-V123 HydrophobicContact CB-CG2 3.36Å
28W95.1Very high94.7Very high1 Ų130.3 Ų30.30%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-96.5105.2170.8-7541.2000107.5L12 L16 V30 I35 L50 M68 V70 M75 L90L12-W28 HydrophobicContact CD1-CH2 3.55Å; L12-W28 HydrophobicContact CD1-CZ3 3.9Å; L16-W28 HydrophobicContact CD2-CH2 4.03Å; L16-W28 HydrophobicContact CD2-CZ2 3.55Å; W28-V30 PolarHBondContact O-N 2.76Å; W28-I35 HydrophobicContact CB-CG2 4.34Å; W28-I35 HydrophobicContact CD2-CG2 4.17Å; W28-I35 HydrophobicContact CE3-CD1 4.49Å; W28-I35 HydrophobicContact CE3-CG2 3.51Å; W28-I35 HydrophobicContact CZ3-CD1 4.49Å; W28-I35 HydrophobicContact CZ3-CG2 4.08Å; W28-L50 HydrophobicContact CH2-CD2 4.49Å; W28-L50 HydrophobicContact CZ2-CD2 4.4Å; W28-M68 HydrophobicContact CB-CB 4.37Å; W28-M68 HydrophobicContact CB-CE 4.14Å; W28-M68 PolarHBondContact N-O 2.97Å; W28-M68 PolarHBondContact O-N 3.38Å; W28-V70 HydrophobicContact CG-CG2 4.05Å; W28-M75 HydrophobicContact CH2-CE 4.14Å; W28-M75 HydrophobicContact CZ2-CE 4.47Å; W28-M75 HydrophobicContact CZ2-SD 4.36Å; W28-M75 HydrophobicContact CZ3-CE 4.25Å; W28-L90 HydrophobicContact CZ3-CD1 4.47Å
29D94.9Very high94.6Very high33 Ų3331.5 Ų31.518%0.17619%0.188CC..EExtended strand (participates in β ladder)trans-79.5112.4175.5-67.7-50.5000108.7I35 S36 Q125D29-I35 CarbonylContact O-C 3.57Å; D29-I35 WeakPolarHBondContact O-CA 3.39Å; D29-S36 PolarHBondContact N-O 2.78Å; D29-S36 PolarHBondContact O-N 2.85Å; D29-S36 PolarHBondContact O-OG 3.04Å; D29-Q125 PolarHBondContact OD2-NE2 3.43Å
30V95.9Very high94.5Very high2 Ų234.5 Ų34.51%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-106128.5179.6-1770000108.3F2 W28 I35 Y60 C62 N65 L66 M68F2-V30 HydrophobicContact CB-CG1 4.46Å; F2-V30 HydrophobicContact CD1-CG1 4.34Å; F2-V30 HydrophobicContact CD1-CG2 4.49Å; F2-V30 HydrophobicContact CD2-CG1 3.25Å; F2-V30 HydrophobicContact CE1-CG1 4.44Å; F2-V30 HydrophobicContact CE1-CG2 4.26Å; F2-V30 HydrophobicContact CE2-CG1 3.36Å; F2-V30 HydrophobicContact CE2-CG2 4.41Å; F2-V30 HydrophobicContact CG-CG1 3.77Å; F2-V30 HydrophobicContact CZ-CG1 3.98Å; F2-V30 HydrophobicContact CZ-CG2 4.21Å; W28-V30 PolarHBondContact O-N 2.76Å; V30-I35 HydrophobicContact CG2-CG1 4.43Å; V30-Y60 WeakPolarHBondContact CG1-OH 3.34Å; V30-C62 HydrophobicContact CG1-CB 4.2Å; V30-N65 CarbonylContact O-C 3.45Å; V30-N65 VanDerWaalsContact O-CA 3.23Å; V30-N65 WeakPolarHBondContact O-CA 3.41Å; V30-L66 HydrophobicContact CB-CB 4.28Å; V30-L66 PolarHBondContact N-O 3.14Å; V30-L66 PolarHBondContact O-N 3.38Å; V30-M68 HydrophobicContact CG2-CE 3.43Å; V30-M68 VanDerWaalsContact CG2-CE 3.43Å; V30-M68 HydrophobicContact CG2-SD 4.37Å
31S95.8Very high94.6Very high21 Ų2132.5 Ų32.515%0.14720%0.195CC..EExtended strand (participates in β ladder)trans-146.1176.6177.769.40000110.8S33 G34 Y60 C62 N65S31-S33 PolarHBondContact O-N 2.85Å; S31-S33 PolarHBondContact OG-N 3.02Å; S31-S33 PolarHBondContact OG-OG 3.03Å; S31-G34 PolarHBondContact N-O 2.97Å; S31-G34 PolarHBondContact O-N 2.83Å; S31-Y60 VanDerWaalsContact O-CE1 3.29Å; S31-Y60 WeakPolarHBondContact O-CE1 3.28Å; S31-Y60 PolarHBondContact O-OH 2.85Å; S31-C62 VanDerWaalsContact C-SG 3.52Å; S31-C62 VanDerWaalsContact CA-SG 3.52Å; S31-N65 WeakPolarHBondContact CB-OD1 3.31Å
32S95.1Very high94.5Very high93 Ų9334.6 Ų34.665%0.6522%0.215SC*.THydrogen-bonded Turntrans-56.2-23.1174.962.90000114.8
33S95.6Very high94.5Very high78 Ų7836.4 Ų36.455%0.54523%0.229SC..THydrogen-bonded Turntrans-82.7-15.1177.659.30000113.8S31 R53 H54S31-S33 PolarHBondContact O-N 2.85Å; S31-S33 PolarHBondContact OG-N 3.02Å; S31-S33 PolarHBondContact OG-OG 3.03Å; S33-R53 WeakPolarHBondContact O-CA 3.5Å; S33-H54 PolarHBondContact O-CD2 3.31Å; S33-H54 PolarHBondContact O-N 2.94Å
34G96.9Very high94.3Very high3 Ų342.4 Ų42.43%0.03126%0.257CS..EExtended strand (participates in β ladder)trans135-158.5-175.800000113.1S31 L52 Y60S31-G34 PolarHBondContact N-O 2.97Å; S31-G34 PolarHBondContact O-N 2.83Å; G34-L52 CarbonylContact C-O 3.58Å; G34-L52 VanDerWaalsContact CA-O 3.26Å; G34-L52 WeakPolarHBondContact CA-O 3.25Å; G34-Y60 WeakPolarHBondContact CA-OH 3.37Å; G34-Y60 PolarHBondContact O-OH 2.61Å
35I97.3Very high94.3Very high2 Ų241 Ų411%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-108129.5179.7-51.8177.7000108.6F2 W28 D29 V30 L52 F57 Y60 L90F2-I35 HydrophobicContact CE2-CD1 4.46Å; F2-I35 HydrophobicContact CZ-CD1 3.86Å; F2-I35 HydrophobicContact CZ-CG1 4.35Å; W28-I35 HydrophobicContact CB-CG2 4.34Å; W28-I35 HydrophobicContact CD2-CG2 4.17Å; W28-I35 HydrophobicContact CE3-CD1 4.49Å; W28-I35 HydrophobicContact CE3-CG2 3.51Å; W28-I35 HydrophobicContact CZ3-CD1 4.49Å; W28-I35 HydrophobicContact CZ3-CG2 4.08Å; D29-I35 CarbonylContact O-C 3.57Å; D29-I35 WeakPolarHBondContact O-CA 3.39Å; V30-I35 HydrophobicContact CG2-CG1 4.43Å; I35-L52 HydrophobicContact CB-CB 4.32Å; I35-L52 PolarHBondContact N-O 3.32Å; I35-L52 PolarHBondContact O-N 2.87Å; I35-F57 HydrophobicContact CD1-CE1 4.38Å; I35-F57 HydrophobicContact CD1-CZ 3.78Å; I35-F57 HydrophobicContact CG1-CZ 4.29Å; I35-Y60 HydrophobicContact CG1-CE2 4.06Å; I35-L90 HydrophobicContact CD1-CD1 4.41Å
36S96.2Very high94.4Very high41 Ų4136.9 Ų36.929%0.28723%0.229SC..EExtended strand (participates in β ladder)trans-126.2154.8171.949.50000111.3D29 L50D29-S36 PolarHBondContact N-O 2.78Å; D29-S36 PolarHBondContact O-N 2.85Å; D29-S36 PolarHBondContact O-OG 3.04Å; S36-L50 VanDerWaalsContact CA-O 3.25Å; S36-L50 WeakPolarHBondContact CA-O 3.49Å
37L95.5Very high94.5Very high2 Ų237.7 Ų37.71%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-141.9137.6170.7163.6161.1000107.9L19 I23 A26 V48 Q49 L50L19-L37 HydrophobicContact CD1-CD1 4.37Å; I23-L37 HydrophobicContact CD1-CD1 4.43Å; I23-L37 HydrophobicContact CD1-CD2 4.01Å; A26-L37 HydrophobicContact CB-CD1 3.37Å; A26-L37 HydrophobicContact CB-CD2 4.49Å; A26-L37 HydrophobicContact CB-CG 3.91Å; L37-V48 HydrophobicContact CD2-CG1 4.15Å; L37-Q49 CarbonylContact O-C 3.56Å; L37-Q49 WeakPolarHBondContact O-CA 3Å; L37-L50 HydrophobicContact CB-CB 4.16Å; L37-L50 HydrophobicContact CB-CD2 4.42Å; L37-L50 HydrophobicContact CD2-CB 4.41Å; L37-L50 PolarHBondContact N-O 2.91Å; L37-L50 PolarHBondContact O-N 3.35Å
38Q95.2Very high94.6Very high21 Ų2137.3 Ų37.310%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-134.4129.5170.1-168.9-172.961.500108.4L47 V48 L126Q38-L47 HydrophobicContact CG-CD1 4.1Å; Q38-L47 HydrophobicContact CG-CD2 4.02Å; Q38-L47 HydrophobicContact CG-CG 4.23Å; Q38-V48 WeakPolarHBondContact CA-O 3.44Å; Q38-L126 PolarHBondContact NE2-O 2.86Å; Q38-L126 PolarHBondContact OE1-O 3.08Å
39S94.4Very high94.7Very high27 Ų2739.5 Ų39.519%0.18924%0.24CC..EExtended strand (participates in β ladder)trans-156.4148.2178-1710000111.6L47 V48S39-L47 WeakPolarHBondContact O-CA 3.41Å; S39-V48 PolarHBondContact N-O 2.83Å; S39-V48 PolarHBondContact O-N 2.89Å
40M93.4Very high94.8Very high63 Ų6338 Ų3831%0.3123%0.232SC..EExtended strand (participates in β ladder)trans-91.8152170.8-73.4-172.3-79.400110.8I23 H44 S46 L47 L126I23-M40 WeakPolarHBondContact CG2-O 3.36Å; M40-H44 WeakPolarHBondContact CE-ND1 3.36Å; M40-H44 HydrophobicContact SD-CB 4.28Å; M40-H44 PolarHBondContact SD-ND1 2.8Å; M40-S46 CarbonylContact C-O 3.6Å; M40-S46 WeakPolarHBondContact CA-O 3.23Å; M40-L47 HydrophobicContact CG-CB 4.29Å; M40-L47 HydrophobicContact CG-CD1 4.23Å; M40-L126 HydrophobicContact CE-CD1 3.72Å; M40-L126 HydrophobicContact CG-CD1 4.1Å; M40-L126 HydrophobicContact SD-CD1 3.77Å
41D93.4Very high94.9Very high7 Ų739.7 Ų39.74%0.03724%0.242CC..  trans-69.6166.8167.585.7-64.5000111.2L22 S43 H44 V45 S46 Y211L22-D41 HydrophobicContact CD1-CB 3.96Å; L22-D41 HydrophobicContact CG-CB 4.3Å; D41-S43 PolarHBondContact O-N 3.13Å; D41-S43 VanDerWaalsContact O-N 3.12Å; D41-S43 PolarHBondContact OD1-OG 3.17Å; D41-S43 WeakPolarHBondContact OD2-CB 3.34Å; D41-S43 PolarHBondContact OD2-N 2.92Å; D41-S43 VanDerWaalsContact OD2-N 3.11Å; D41-S43 PolarHBondContact OD2-OG 3.47Å; D41-H44 PolarHBondContact O-N 3.34Å; D41-H44 PolarHBondContact OD1-N 2.76Å; D41-V45 PolarHBondContact OD1-N 3.24Å; D41-S46 PolarHBondContact N-O 3.18Å; D41-S46 PolarHBondContact OD1-N 3.3Å; D41-Y211 HydrophobicContact CB-CE1 4.38Å; D41-Y211 WeakPolarHBondContact OD2-CE1 3.3Å; D41-Y211 PolarHBondContact OD2-OH 3.4Å
42S89.9Confident95Very high120 Ų12038.9 Ų38.984%0.83924%0.236SC*.THydrogen-bonded Turntrans-64.5-17.9-177.155.60000114.5
43S91.8Very high95.1Very high55 Ų5539 Ų3939%0.38522%0.223SC..THydrogen-bonded Turntrans-92.9-5.5174.777.60000114.1D41 V45 Y211D41-S43 PolarHBondContact O-N 3.13Å; D41-S43 VanDerWaalsContact O-N 3.12Å; D41-S43 PolarHBondContact OD1-OG 3.17Å; D41-S43 WeakPolarHBondContact OD2-CB 3.34Å; D41-S43 PolarHBondContact OD2-N 2.92Å; D41-S43 VanDerWaalsContact OD2-N 3.11Å; D41-S43 PolarHBondContact OD2-OG 3.47Å; S43-V45 PolarHBondContact O-N 3.16Å; S43-V45 WeakPolarHBondContact OG-CB 3.42Å; S43-V45 VanDerWaalsContact OG-CG2 3.29Å; S43-V45 WeakPolarHBondContact OG-CG2 3.38Å; S43-V45 PolarHBondContact OG-N 3.31Å; S43-Y211 PolarHBondContact OG-OH 3.2Å
44H90.3Very high95.1Very high133 Ų13339.5 Ų39.562%0.61622%0.216SC*.SBendtrans57.427.7-174.5-58.9-85.6000114.4M40 D41M40-H44 WeakPolarHBondContact CE-ND1 3.36Å; M40-H44 HydrophobicContact SD-CB 4.28Å; M40-H44 PolarHBondContact SD-ND1 2.8Å; D41-H44 PolarHBondContact O-N 3.34Å; D41-H44 PolarHBondContact OD1-N 2.76Å
45V92.6Very high95Very high60 Ų6044 Ų4436%0.36424%0.24SC..SBendtrans-97.9-24.8178.3176.20000111.4D41 S43 Y211 L251 A252D41-V45 PolarHBondContact OD1-N 3.24Å; S43-V45 PolarHBondContact O-N 3.16Å; S43-V45 WeakPolarHBondContact OG-CB 3.42Å; S43-V45 VanDerWaalsContact OG-CG2 3.29Å; S43-V45 WeakPolarHBondContact OG-CG2 3.38Å; S43-V45 PolarHBondContact OG-N 3.31Å; V45-Y211 HydrophobicContact CG1-CE2 4.39Å; V45-L251 HydrophobicContact CG1-CD1 4.01Å; V45-A252 HydrophobicContact CG1-CB 4.39Å; V45-A252 PolarHBondContact O-N 3.12Å
46S95.4Very high94.8Very high2 Ų245.2 Ų45.21%0.01425%0.253CS..EExtended strand (participates in β ladder)trans-129.3141.4179.6-174.90000112.3M40 D41 F215 Y250M40-S46 CarbonylContact C-O 3.6Å; M40-S46 WeakPolarHBondContact CA-O 3.23Å; D41-S46 PolarHBondContact N-O 3.18Å; D41-S46 PolarHBondContact OD1-N 3.3Å; S46-F215 WeakPolarHBondContact OG-CE1 3.3Å; S46-F215 VanDerWaalsContact OG-CZ 3.23Å; S46-F215 WeakPolarHBondContact OG-CZ 3.38Å; S46-Y250 WeakPolarHBondContact CA-O 3.43Å; S46-Y250 WeakPolarHBondContact CB-O 3.36Å; S46-Y250 PolarHBondContact OG-O 2.8Å
47L95.6Very high94.8Very high20 Ų2044.2 Ų44.211%0.10524%0.243CC..EExtended strand (participates in β ladder)trans-117140.3171.3179.5150.1000109.3Q38 S39 M40 Q49 L126 I128 Y249 Y250Q38-L47 HydrophobicContact CG-CD1 4.1Å; Q38-L47 HydrophobicContact CG-CD2 4.02Å; Q38-L47 HydrophobicContact CG-CG 4.23Å; S39-L47 WeakPolarHBondContact O-CA 3.41Å; M40-L47 HydrophobicContact CG-CB 4.29Å; M40-L47 HydrophobicContact CG-CD1 4.23Å; L47-Q49 HydrophobicContact CD2-CB 4.3Å; L47-L126 HydrophobicContact CD1-CB 4.19Å; L47-L126 HydrophobicContact CD1-CD1 3.51Å; L47-L126 HydrophobicContact CD1-CG 4.47Å; L47-I128 HydrophobicContact CD2-CD1 3.91Å; L47-Y249 CarbonylContact O-C 3.58Å; L47-Y249 WeakPolarHBondContact O-CA 3.24Å; L47-Y250 HydrophobicContact CB-CD2 4.37Å; L47-Y250 HydrophobicContact CD2-CD2 3.35Å; L47-Y250 HydrophobicContact CD2-CE2 3.71Å; L47-Y250 HydrophobicContact CD2-CG 4.2Å; L47-Y250 HydrophobicContact CG-CD2 4.45Å; L47-Y250 PolarHBondContact N-O 2.61Å; L47-Y250 PolarHBondContact O-N 3Å
48V96.6Very high94.8Very high0 Ų049.2 Ų49.20%027%0.27CS..EExtended strand (participates in β ladder)trans-115.6137.9170.362.90000110.6L19 L22 I23 L37 Q38 S39 I247 K248 Y249L19-V48 HydrophobicContact CD2-CB 4.32Å; L19-V48 HydrophobicContact CD2-CG1 4.1Å; L19-V48 HydrophobicContact CD2-CG2 3.37Å; L22-V48 HydrophobicContact CD2-CB 3.88Å; L22-V48 HydrophobicContact CD2-CG1 4.13Å; I23-V48 HydrophobicContact CD1-CG1 3.67Å; I23-V48 HydrophobicContact CG1-CG1 4.24Å; I23-V48 HydrophobicContact CG2-CG1 4.39Å; L37-V48 HydrophobicContact CD2-CG1 4.15Å; Q38-V48 WeakPolarHBondContact CA-O 3.44Å; S39-V48 PolarHBondContact N-O 2.83Å; S39-V48 PolarHBondContact O-N 2.89Å; V48-I247 HydrophobicContact CG2-CG2 3.76Å; V48-K248 WeakPolarHBondContact CA-O 3.22Å; V48-Y249 HydrophobicContact CB-CD1 3.98Å; V48-Y249 HydrophobicContact CB-CE1 4.22Å; V48-Y249 HydrophobicContact CG2-CD1 3.66Å; V48-Y249 HydrophobicContact CG2-CE1 3.56Å
49Q96.7Very high94.9Very high47 Ų4750.5 Ų50.522%0.2228%0.281CS..EExtended strand (participates in β ladder)trans-127.2120.4175.5-174.6-177.429.100109L37 L47 I247 K248 Y250L37-Q49 CarbonylContact O-C 3.56Å; L37-Q49 WeakPolarHBondContact O-CA 3Å; L47-Q49 HydrophobicContact CD2-CB 4.3Å; Q49-I247 CarbonylContact O-C 3.6Å; Q49-I247 WeakPolarHBondContact O-CA 3.34Å; Q49-K248 HydrophobicContact CB-CB 4.4Å; Q49-K248 PolarHBondContact N-O 2.95Å; Q49-K248 PolarHBondContact O-N 3.2Å; Q49-Y250 HydrophobicContact CB-CE2 4.01Å; Q49-Y250 PolarHBondContact OE1-OH 2.86Å
50L97.6Very high95Very high0 Ų051.3 Ų51.30%028%0.28CS..EExtended strand (participates in β ladder)trans-108.3136172.8169.870.9000108.5V15 L19 W28 S36 L37 L52 I241 I247V15-L50 HydrophobicContact CG1-CD1 3.88Å; V15-L50 HydrophobicContact CG1-CD2 3.65Å; V15-L50 HydrophobicContact CG1-CG 4.43Å; V15-L50 HydrophobicContact CG2-CD1 4.46Å; L19-L50 HydrophobicContact CD1-CD2 4.25Å; W28-L50 HydrophobicContact CH2-CD2 4.49Å; W28-L50 HydrophobicContact CZ2-CD2 4.4Å; S36-L50 VanDerWaalsContact CA-O 3.25Å; S36-L50 WeakPolarHBondContact CA-O 3.49Å; L37-L50 HydrophobicContact CB-CB 4.16Å; L37-L50 HydrophobicContact CB-CD2 4.42Å; L37-L50 HydrophobicContact CD2-CB 4.41Å; L37-L50 PolarHBondContact N-O 2.91Å; L37-L50 PolarHBondContact O-N 3.35Å; L50-L52 HydrophobicContact CD1-CD2 3.9Å; L50-L52 HydrophobicContact CD1-CG 4.02Å; L50-L52 HydrophobicContact CD2-CD1 4.39Å; L50-L52 HydrophobicContact CD2-CG 4.41Å; L50-L52 HydrophobicContact CG-CG 4.22Å; L50-I241 HydrophobicContact CD1-CD1 3.72Å; L50-I247 HydrophobicContact CD1-CD1 4.19Å; L50-I247 HydrophobicContact CD1-CG1 3.76Å
51T97.5Very high95.2Very high38 Ų3854.7 Ų54.723%0.23329%0.289CS..EExtended strand (participates in β ladder)trans-130.4127.1167.6-60.70000108.9R53 G245 H246T51-R53 HydrophobicContact CG2-CG 4.47Å; T51-G245 CarbonylContact O-C 3.59Å; T51-G245 WeakPolarHBondContact O-CA 3.42Å; T51-H246 PolarHBondContact N-O 2.64Å; T51-H246 PolarHBondContact O-N 3.08Å
52L97.8Very high95.3Very high4 Ų455.3 Ų55.32%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-124.8108170.4-57.2178.1000107.9G34 I35 L50 F57 I241 M244G34-L52 CarbonylContact C-O 3.58Å; G34-L52 VanDerWaalsContact CA-O 3.26Å; G34-L52 WeakPolarHBondContact CA-O 3.25Å; I35-L52 HydrophobicContact CB-CB 4.32Å; I35-L52 PolarHBondContact N-O 3.32Å; I35-L52 PolarHBondContact O-N 2.87Å; L50-L52 HydrophobicContact CD1-CD2 3.9Å; L50-L52 HydrophobicContact CD1-CG 4.02Å; L50-L52 HydrophobicContact CD2-CD1 4.39Å; L50-L52 HydrophobicContact CD2-CG 4.41Å; L50-L52 HydrophobicContact CG-CG 4.22Å; L52-F57 HydrophobicContact CB-CE2 4.13Å; L52-F57 HydrophobicContact CB-CZ 4.09Å; L52-F57 HydrophobicContact CD1-CZ 4.31Å; L52-I241 HydrophobicContact CD2-CD1 3.53Å; L52-M244 HydrophobicContact CB-CE 4.12Å; L52-M244 HydrophobicContact CD1-CE 4.37Å; L52-M244 HydrophobicContact CD2-CE 3.76Å; L52-M244 HydrophobicContact CD2-CG 4.3Å; L52-M244 HydrophobicContact CD2-SD 4.13Å; L52-M244 HydrophobicContact CG-CE 4.3Å
53R97.1Very high95.5Very high96 Ų9653.4 Ų53.436%0.36228%0.275SS..EExtended strand (participates in β ladder)trans-72.2148.8-178.8-63.9-170.5-63.3-9510.3111.5S33 T51 D55 G56 F57 D243 M244S33-R53 WeakPolarHBondContact O-CA 3.5Å; T51-R53 HydrophobicContact CG2-CG 4.47Å; R53-D55 WeakPolarHBondContact CB-OD1 3.11Å; R53-D55 IonicContact NE-OD1 3.27Å; R53-D55 PolarHBondContact NE-OD1 2.97Å; R53-D55 IonicContact NE-OD2 2.85Å; R53-D55 PolarHBondContact O-N 2.84Å; R53-G56 PolarHBondContact O-N 2.84Å; R53-G56 VanDerWaalsContact O-N 3.12Å; R53-F57 VanDerWaalsContact O-CD2 3.25Å; R53-F57 WeakPolarHBondContact O-CD2 3.3Å; R53-F57 WeakPolarHBondContact O-CE2 2.96Å; R53-D243 VanDerWaalsContact NH2-C 3.27Å; R53-D243 PolarHBondContact NH2-O 2.77Å; R53-M244 WeakPolarHBondContact CB-O 3.42Å; R53-M244 PolarHBondContact N-O 2.84Å
54H96.6Very high95.5Very high89 Ų8958.8 Ų58.841%0.41229%0.286SS..G310 helixtrans-58.8-30.5179.874.583000113.3S33 G56 F57 Y60S33-H54 PolarHBondContact O-CD2 3.31Å; S33-H54 PolarHBondContact O-N 2.94Å; H54-G56 PolarHBondContact O-N 2.86Å; H54-F57 PolarHBondContact O-N 2.78Å; H54-Y60 HydrophobicContact CB-CD1 3.55Å; H54-Y60 HydrophobicContact CB-CD2 4.26Å; H54-Y60 HydrophobicContact CB-CE1 3.99Å; H54-Y60 HydrophobicContact CB-CG 3.71Å
55D94.8Very high95.7Very high98 Ų9858.4 Ų58.452%0.52429%0.289SS..G310 helixtrans-73.5-14.1-179.463.7-10.3000113.5R53 F57R53-D55 WeakPolarHBondContact CB-OD1 3.11Å; R53-D55 IonicContact NE-OD1 3.27Å; R53-D55 PolarHBondContact NE-OD1 2.97Å; R53-D55 IonicContact NE-OD2 2.85Å; R53-D55 PolarHBondContact O-N 2.84Å; D55-F57 VanDerWaalsContact C-N 3.29Å
56G93.4Very high95.7Very high27 Ų2756.6 Ų56.628%0.27828%0.277SS..G310 helixtrans-80.4-6.7171.800000114.7R53 H54R53-G56 PolarHBondContact O-N 2.84Å; R53-G56 VanDerWaalsContact O-N 3.12Å; H54-G56 PolarHBondContact O-N 2.86Å
57F96.1Very high95.6Very high20 Ų2060 Ų609%0.08831%0.306CS..SBendtrans-101.6148.2176.9-61.3-91.4000110.1A4 R5 L6 I35 L52 R53 H54 D55 Y60 M244A4-F57 HydrophobicContact CB-CD1 3.89Å; A4-F57 HydrophobicContact CB-CE1 3.96Å; A4-F57 HydrophobicContact CB-CG 4.4Å; R5-F57 WeakPolarHBondContact O-CB 3.44Å; L6-F57 HydrophobicContact CB-CD1 4.19Å; L6-F57 HydrophobicContact CB-CE1 4.44Å; L6-F57 HydrophobicContact CD1-CD1 4.13Å; L6-F57 HydrophobicContact CD1-CE1 4.34Å; I35-F57 HydrophobicContact CD1-CE1 4.38Å; I35-F57 HydrophobicContact CD1-CZ 3.78Å; I35-F57 HydrophobicContact CG1-CZ 4.29Å; L52-F57 HydrophobicContact CB-CE2 4.13Å; L52-F57 HydrophobicContact CB-CZ 4.09Å; L52-F57 HydrophobicContact CD1-CZ 4.31Å; R53-F57 VanDerWaalsContact O-CD2 3.25Å; R53-F57 WeakPolarHBondContact O-CD2 3.3Å; R53-F57 WeakPolarHBondContact O-CE2 2.96Å; H54-F57 PolarHBondContact O-N 2.78Å; D55-F57 VanDerWaalsContact C-N 3.29Å; F57-Y60 HydrophobicContact CB-CD2 4.33Å; F57-Y60 AromaticContact CD2-CD2 3.59Å; F57-Y60 HydrophobicContact CD2-CD2 3.59Å; F57-Y60 HydrophobicContact CD2-CE2 4.18Å; F57-Y60 HydrophobicContact CD2-CG 4.46Å; F57-Y60 AromaticContact CE2-CD2 3.99Å; F57-Y60 HydrophobicContact CE2-CD2 3.99Å; F57-Y60 HydrophobicContact CE2-CE2 4.11Å; F57-Y60 AromaticContact CG-CD2 3.94Å; F57-Y60 HydrophobicContact CG-CD2 3.94Å; F57-M244 HydrophobicContact CE1-CE 4.45Å; F57-M244 HydrophobicContact CE2-CE 4.29Å; F57-M244 HydrophobicContact CZ-CE 4.11Å
58D95.3Very high95.5Very high107 Ų10759.3 Ų59.357%0.57230%0.302SS*.SBendtrans-70.7-37.5177.4172.173000111.7R5 V7R5-D58 IonicContact CZ-OD2 3.5Å; R5-D58 IonicContact NH1-OD2 3.42Å; R5-D58 PolarHBondContact NH1-OD2 3.23Å; R5-D58 PolarHBondContact O-N 2.89Å; V7-D58 HydrophobicContact CG2-CB 3.62Å
59S95.6Very high95.5Very high47 Ų4759.5 Ų59.533%0.32930%0.303SS..EExtended strand (participates in β ladder)trans-137.2139.7162.854.80000109.7R5R5-S59 WeakPolarHBondContact CB-OG 3.33Å; R5-S59 PolarHBondContact N-O 3.36Å
60Y97.6Very high95.4Very high44 Ų4457.2 Ų57.217%0.17329%0.293CS..EExtended strand (participates in β ladder)trans-141.2126.1179-169.8-86.5000109.5F2 E3 A4 V30 S31 G34 I35 H54 F57 C62F2-Y60 AromaticContact CE2-CE2 3.83Å; F2-Y60 HydrophobicContact CE2-CE2 3.83Å; E3-Y60 CarbonylContact O-C 3.57Å; E3-Y60 WeakPolarHBondContact O-CA 3.31Å; A4-Y60 HydrophobicContact CB-CD2 3.71Å; A4-Y60 HydrophobicContact CB-CE2 3.93Å; V30-Y60 WeakPolarHBondContact CG1-OH 3.34Å; S31-Y60 VanDerWaalsContact O-CE1 3.29Å; S31-Y60 WeakPolarHBondContact O-CE1 3.28Å; S31-Y60 PolarHBondContact O-OH 2.85Å; G34-Y60 WeakPolarHBondContact CA-OH 3.37Å; G34-Y60 PolarHBondContact O-OH 2.61Å; I35-Y60 HydrophobicContact CG1-CE2 4.06Å; H54-Y60 HydrophobicContact CB-CD1 3.55Å; H54-Y60 HydrophobicContact CB-CD2 4.26Å; H54-Y60 HydrophobicContact CB-CE1 3.99Å; H54-Y60 HydrophobicContact CB-CG 3.71Å; F57-Y60 HydrophobicContact CB-CD2 4.33Å; F57-Y60 AromaticContact CD2-CD2 3.59Å; F57-Y60 HydrophobicContact CD2-CD2 3.59Å; F57-Y60 HydrophobicContact CD2-CE2 4.18Å; F57-Y60 HydrophobicContact CD2-CG 4.46Å; F57-Y60 AromaticContact CE2-CD2 3.99Å; F57-Y60 HydrophobicContact CE2-CD2 3.99Å; F57-Y60 HydrophobicContact CE2-CE2 4.11Å; F57-Y60 AromaticContact CG-CD2 3.94Å; F57-Y60 HydrophobicContact CG-CD2 3.94Å; Y60-C62 HydrophobicContact CE1-CB 3.71Å
61R96.8Very high95.3Very high134 Ų13458.3 Ų58.351%0.50630%0.299SS..EExtended strand (participates in β ladder)trans-137.5127.3176-179.1176.8173.8-169.6-8.5109.1F2 E3 D63F2-R61 CarbonylContact C-O 3.57Å; F2-R61 WeakPolarHBondContact CA-O 3.15Å; F2-R61 WeakPolarHBondContact CD2-O 3.1Å; E3-R61 PolarHBondContact N-O 2.85Å; E3-R61 PolarHBondContact O-N 2.93Å; R61-D63 IonicContact CZ-OD1 3.77Å; R61-D63 IonicContact CZ-OD2 3.48Å; R61-D63 IonicContact NE-OD1 3.58Å; R61-D63 PolarHBondContact NE-OD1 3.07Å; R61-D63 IonicContact NE-OD2 2.79Å; R61-D63 PolarHBondContact NE-OD2 3.4Å; R61-D63 IonicContact NH2-OD1 3.86Å; R61-D63 PolarHBondContact NH2-OD1 3.05Å; R61-D63 IonicContact NH2-OD2 2.76Å; R61-D63 PolarHBondContact NH2-OD2 2.91Å
62C96.1Very high95.2Very high21 Ų2156.5 Ų56.514%0.14229%0.288CS..EExtended strand (participates in β ladder)trans-140.699.9174.3175.50000107.3F2 V30 S31 Y60 R64F2-C62 HydrophobicContact CD2-CB 4.49Å; V30-C62 HydrophobicContact CG1-CB 4.2Å; S31-C62 VanDerWaalsContact C-SG 3.52Å; S31-C62 VanDerWaalsContact CA-SG 3.52Å; Y60-C62 HydrophobicContact CE1-CB 3.71Å; C62-R64 VanDerWaalsContact C-N 3.34Å; C62-R64 PolarHBondContact SG-O 3.24Å
63D93.4Very high94.9Very high80 Ų8058.6 Ų58.643%0.42830%0.303SS..SBendtrans-75.1-27.8-176.6-59-30.2000112.2M1 R61M1-D63 WeakPolarHBondContact CB-OD2 3.45Å; M1-D63 PolarHBondContact N-OD2 2.94Å; M1-D63 PolarHBondContact O-N 3.45Å; R61-D63 IonicContact CZ-OD1 3.77Å; R61-D63 IonicContact CZ-OD2 3.48Å; R61-D63 IonicContact NE-OD1 3.58Å; R61-D63 PolarHBondContact NE-OD1 3.07Å; R61-D63 IonicContact NE-OD2 2.79Å; R61-D63 PolarHBondContact NE-OD2 3.4Å; R61-D63 IonicContact NH2-OD1 3.86Å; R61-D63 PolarHBondContact NH2-OD1 3.05Å; R61-D63 IonicContact NH2-OD2 2.76Å; R61-D63 PolarHBondContact NH2-OD2 2.91Å
64R93.1Very high94.8Very high167 Ų16756.5 Ų56.563%0.6330%0.303SS*.SBendtrans-145.6149.6179.5-66.2-174.5176.7-172.60.8109C62 L66C62-R64 VanDerWaalsContact C-N 3.34Å; C62-R64 PolarHBondContact SG-O 3.24Å; R64-L66 PolarHBondContact O-N 2.91Å
65N93.6Very high94.7Very high126 Ų12652.3 Ų52.367%0.67428%0.283SS*.  trans-62.9133.4174.2-67.60.5000109.7V30 S31V30-N65 CarbonylContact O-C 3.45Å; V30-N65 VanDerWaalsContact O-CA 3.23Å; V30-N65 WeakPolarHBondContact O-CA 3.41Å; S31-N65 WeakPolarHBondContact CB-OD1 3.31Å
66L93.1Very high94.7Very high22 Ų2248 Ų4812%0.11526%0.261CS..EExtended strand (participates in β ladder)trans-126140.3178.9-59.3174.1000109.6F2 V30 R64 M68 A92 D94F2-L66 HydrophobicContact CB-CD1 3.51Å; F2-L66 HydrophobicContact CG-CD1 4.45Å; V30-L66 HydrophobicContact CB-CB 4.28Å; V30-L66 PolarHBondContact N-O 3.14Å; V30-L66 PolarHBondContact O-N 3.38Å; R64-L66 PolarHBondContact O-N 2.91Å; L66-M68 HydrophobicContact CB-CG 4.42Å; L66-A92 HydrophobicContact CD1-CB 4.47Å; L66-D94 WeakPolarHBondContact CD2-O 3.41Å
67A92.9Very high94.8Very high74 Ų7453.2 Ų53.261%0.61228%0.276SS*.EExtended strand (participates in β ladder)trans-110.9105.6172.400000106.9C27C27-A67 VanDerWaalsContact SG-C 3.51Å; C27-A67 VanDerWaalsContact SG-CA 3.55Å; C27-A67 VanDerWaalsContact SG-CB 3.52Å
68M94.5Very high94.8Very high5 Ų553.6 Ų53.63%0.02528%0.279CS..EExtended strand (participates in β ladder)trans-104.5103.2-176.9-60.4-176.8-52.300110.2F2 C27 W28 V30 L66 V70 A92 L99 L118F2-M68 HydrophobicContact CD1-CE 4.23Å; F2-M68 HydrophobicContact CD1-SD 4.1Å; F2-M68 HydrophobicContact CE1-CE 3.86Å; F2-M68 HydrophobicContact CE1-SD 4.29Å; C27-M68 WeakPolarHBondContact CA-O 3.15Å; C27-M68 PolarHBondContact SG-N 3.03Å; W28-M68 HydrophobicContact CB-CB 4.37Å; W28-M68 HydrophobicContact CB-CE 4.14Å; W28-M68 PolarHBondContact N-O 2.97Å; W28-M68 PolarHBondContact O-N 3.38Å; V30-M68 HydrophobicContact CG2-CE 3.43Å; V30-M68 VanDerWaalsContact CG2-CE 3.43Å; V30-M68 HydrophobicContact CG2-SD 4.37Å; L66-M68 HydrophobicContact CB-CG 4.42Å; M68-V70 PolarHBondContact O-N 3.46Å; M68-A92 HydrophobicContact SD-CB 3.86Å; M68-L99 HydrophobicContact CE-CD1 4.4Å; M68-L99 HydrophobicContact SD-CD1 4.06Å; M68-L118 HydrophobicContact CB-CD1 4.2Å; M68-L118 HydrophobicContact CB-CD2 4.03Å; M68-L118 HydrophobicContact CG-CD1 4.08Å
69G95.8Very high94.8Very high3 Ų348.7 Ų48.73%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-72.8121.1172.900000111.1L118 M119G69-L118 WeakPolarHBondContact O-CA 3.3Å; G69-L118 WeakPolarHBondContact O-CD2 3.44Å; G69-M119 VanDerWaalsContact CA-O 3.24Å; G69-M119 WeakPolarHBondContact CA-O 3.4Å; G69-M119 WeakPolarHBondContact O-CG 3.31Å; G69-M119 PolarHBondContact O-N 3.19Å
70V95.1Very high94.7Very high0 Ų052.6 Ų52.60%026%0.263CS..EExtended strand (participates in β ladder)trans-128.2138.1-175.1-67.70000111.7E25 A26 W28 M68 L72 L99 M116 L118E25-V70 WeakPolarHBondContact CA-O 3.41Å; A26-V70 PolarHBondContact N-O 3.21Å; A26-V70 VanDerWaalsContact N-O 3.16Å; A26-V70 VanDerWaalsContact O-CG2 3.31Å; A26-V70 WeakPolarHBondContact O-CG2 3.05Å; A26-V70 PolarHBondContact O-N 2.98Å; W28-V70 HydrophobicContact CG-CG2 4.05Å; M68-V70 PolarHBondContact O-N 3.46Å; V70-L72 HydrophobicContact CG2-CD2 3.79Å; V70-L72 PolarHBondContact O-N 3.45Å; V70-L99 HydrophobicContact CG1-CD2 4.49Å; V70-M116 HydrophobicContact CB-CE 4.35Å; V70-M116 HydrophobicContact CG1-CE 4.36Å; V70-L118 HydrophobicContact CG1-CD2 3.69Å
71N94.9Very high94.6Very high22 Ų2253.4 Ų53.412%0.11828%0.275CS..EExtended strand (participates in β ladder)trans-82.5112.4164.5-172.8-75.7000109.4E25 S73 S74 M75 M119E25-N71 HydrophobicContact CG-CB 4.22Å; E25-N71 PolarHBondContact OE1-ND2 3.06Å; E25-N71 VanDerWaalsContact OE1-ND2 3.11Å; N71-S73 VanDerWaalsContact C-N 3.27Å; N71-S73 PolarHBondContact O-N 2.96Å; N71-S73 WeakPolarHBondContact OD1-CB 3.37Å; N71-S73 PolarHBondContact OD1-N 3.4Å; N71-S73 PolarHBondContact OD1-OG 2.96Å; N71-S74 PolarHBondContact O-N 3.44Å; N71-S74 PolarHBondContact OD1-N 2.89Å; N71-S74 VanDerWaalsContact OD1-N 3.08Å; N71-S74 PolarHBondContact OD1-OG 3.21Å; N71-M75 PolarHBondContact O-N 3.46Å; N71-M119 HydrophobicContact CB-CE 3.75Å
72L94.8Very high94.5Very high0 Ų047.2 Ų47.20%025%0.252CS..Hα-helixtrans-67.6-29.5-172.7-59.6-177.8000112.3L16 L19 K20 I23 T24 V70 S76L16-L72 HydrophobicContact CD2-CD2 4.31Å; L19-L72 HydrophobicContact CB-CD1 3.98Å; K20-L72 HydrophobicContact CB-CB 4.39Å; I23-L72 HydrophobicContact CB-CD1 4.47Å; I23-L72 HydrophobicContact CD1-CD1 3.56Å; I23-L72 HydrophobicContact CG1-CD1 3.6Å; T24-L72 PolarHBondContact O-N 3.33Å; V70-L72 HydrophobicContact CG2-CD2 3.79Å; V70-L72 PolarHBondContact O-N 3.45Å; L72-S76 WeakPolarHBondContact O-CB 3.46Å; L72-S76 PolarHBondContact O-N 3.22Å
73S92.4Very high94.4Very high49 Ų4947.5 Ų47.534%0.34326%0.259SS..Hα-helixtrans-67.7-40.317685.70000111.8N71 K77N71-S73 VanDerWaalsContact C-N 3.27Å; N71-S73 PolarHBondContact O-N 2.96Å; N71-S73 WeakPolarHBondContact OD1-CB 3.37Å; N71-S73 PolarHBondContact OD1-N 3.4Å; N71-S73 PolarHBondContact OD1-OG 2.96Å; S73-K77 WeakPolarHBondContact O-CG 3.42Å; S73-K77 PolarHBondContact O-N 3Å; S73-K77 VanDerWaalsContact O-N 3.14Å
74S94.6Very high94.3Very high52 Ų5248.6 Ų48.636%0.36427%0.265SS..Hα-helixtrans-68.9-46.4176-66.20000111.2N71 S76 K77 I78N71-S74 PolarHBondContact O-N 3.44Å; N71-S74 PolarHBondContact OD1-N 2.89Å; N71-S74 VanDerWaalsContact OD1-N 3.08Å; N71-S74 PolarHBondContact OD1-OG 3.21Å; S74-S76 VanDerWaalsContact C-N 3.33Å; S74-S76 PolarHBondContact O-N 2.75Å; S74-K77 WeakPolarHBondContact O-CB 3.42Å; S74-K77 PolarHBondContact O-N 2.83Å; S74-K77 VanDerWaalsContact O-N 3.15Å; S74-I78 PolarHBondContact O-N 3.19Å; S74-I78 VanDerWaalsContact O-N 3.12Å
75M95.8Very high94.3Very high0 Ų047 Ų470%027%0.265CS..Hα-helixtrans-61.8-40.7177-164.6-176.9176.900111.5L12 L16 W28 N71 K77 I78 L79 L90 L99 L101 M116L12-M75 HydrophobicContact CD2-CE 4.28Å; L16-M75 HydrophobicContact CD1-CB 3.59Å; L16-M75 HydrophobicContact CD1-CG 3.58Å; L16-M75 HydrophobicContact CD1-SD 3.77Å; L16-M75 HydrophobicContact CD2-SD 4.31Å; W28-M75 HydrophobicContact CH2-CE 4.14Å; W28-M75 HydrophobicContact CZ2-CE 4.47Å; W28-M75 HydrophobicContact CZ2-SD 4.36Å; W28-M75 HydrophobicContact CZ3-CE 4.25Å; N71-M75 PolarHBondContact O-N 3.46Å; M75-K77 VanDerWaalsContact C-N 3.34Å; M75-K77 PolarHBondContact O-N 3.27Å; M75-I78 PolarHBondContact O-N 3.39Å; M75-L79 HydrophobicContact CE-CD1 4.45Å; M75-L79 HydrophobicContact CG-CD1 4.26Å; M75-L79 WeakPolarHBondContact O-CB 3.32Å; M75-L79 WeakPolarHBondContact O-CG 3.34Å; M75-L79 PolarHBondContact O-N 3.12Å; M75-L90 HydrophobicContact CE-CD2 4.4Å; M75-L99 HydrophobicContact CE-CD2 4.3Å; M75-L101 HydrophobicContact CE-CD2 4.36Å; M75-M116 HydrophobicContact CB-CE 4.07Å; M75-M116 HydrophobicContact CB-SD 3.88Å; M75-M116 HydrophobicContact CG-SD 3.86Å
76S94.3Very high94.4Very high7 Ų742 Ų425%0.04924%0.238CC..Hα-helixtrans-60.4-40.4174.3171.30000112E17 L72 S74 L79 K80E17-S76 PolarHBondContact OE1-OG 2.81Å; L72-S76 WeakPolarHBondContact O-CB 3.46Å; L72-S76 PolarHBondContact O-N 3.22Å; S74-S76 VanDerWaalsContact C-N 3.33Å; S74-S76 PolarHBondContact O-N 2.75Å; S76-L79 PolarHBondContact O-N 3.02Å; S76-K80 WeakPolarHBondContact O-CG 3.35Å; S76-K80 PolarHBondContact O-N 2.88Å; S76-K80 VanDerWaalsContact O-N 3.11Å
77K94.6Very high94.6Very high137 Ų13741.6 Ų41.660%0.59624%0.235SC*.Hα-helixtrans-62.5-42.1175.5-72.2167.9-173.5169.30112.1S73 S74 M75 K80S73-K77 WeakPolarHBondContact O-CG 3.42Å; S73-K77 PolarHBondContact O-N 3Å; S73-K77 VanDerWaalsContact O-N 3.14Å; S74-K77 WeakPolarHBondContact O-CB 3.42Å; S74-K77 PolarHBondContact O-N 2.83Å; S74-K77 VanDerWaalsContact O-N 3.15Å; M75-K77 VanDerWaalsContact C-N 3.34Å; M75-K77 PolarHBondContact O-N 3.27Å; K77-K80 WeakPolarHBondContact O-CB 3.25Å; K77-K80 PolarHBondContact O-N 2.78Å
78I96.4Very high94.8Very high29 Ų2938.1 Ų38.115%0.14921%0.207CC..Hα-helixtrans-67.1-45.4178-63.7169.4000110.4S74 M75 K80 C81 L101 F103 Y114 M116S74-I78 PolarHBondContact O-N 3.19Å; S74-I78 VanDerWaalsContact O-N 3.12Å; M75-I78 PolarHBondContact O-N 3.39Å; I78-K80 PolarHBondContact O-N 2.86Å; I78-C81 VanDerWaalsContact O-CB 3.22Å; I78-C81 WeakPolarHBondContact O-CB 3.33Å; I78-C81 PolarHBondContact O-N 2.97Å; I78-L101 HydrophobicContact CG2-CD1 4.31Å; I78-L101 HydrophobicContact CG2-CD2 4.27Å; I78-F103 HydrophobicContact CG2-CE2 4.23Å; I78-F103 HydrophobicContact CG2-CZ 4Å; I78-F103 WeakPolarHBondContact O-CE2 3.17Å; I78-Y114 HydrophobicContact CG2-CD1 4.25Å; I78-Y114 HydrophobicContact CG2-CD2 4.33Å; I78-Y114 HydrophobicContact CG2-CG 3.81Å; I78-M116 HydrophobicContact CD1-CB 3.64Å; I78-M116 HydrophobicContact CD1-CG 4.34Å; I78-M116 HydrophobicContact CD1-SD 4.21Å
79L95.2Very high94.9Very high3 Ų338 Ų382%0.01621%0.206CC..Hα-helixtrans-64.9-19.5179-72175.4000113.8L12 K13 L16 M75 S76 C81 A82 I88 L101 F103L12-L79 HydrophobicContact CD2-CD1 4.13Å; L12-L79 HydrophobicContact CD2-CD2 3.82Å; L12-L79 HydrophobicContact CG-CD1 3.9Å; L12-L79 HydrophobicContact CG-CD2 4.35Å; K13-L79 WeakPolarHBondContact CE-O 3.45Å; K13-L79 HydrophobicContact CG-CB 4.14Å; L16-L79 HydrophobicContact CD1-CD1 3.53Å; L16-L79 HydrophobicContact CG-CD1 3.71Å; M75-L79 HydrophobicContact CE-CD1 4.45Å; M75-L79 HydrophobicContact CG-CD1 4.26Å; M75-L79 WeakPolarHBondContact O-CB 3.32Å; M75-L79 WeakPolarHBondContact O-CG 3.34Å; M75-L79 PolarHBondContact O-N 3.12Å; S76-L79 PolarHBondContact O-N 3.02Å; L79-C81 PolarHBondContact O-N 2.82Å; L79-A82 WeakPolarHBondContact O-CB 3.49Å; L79-A82 PolarHBondContact O-N 2.89Å; L79-I88 HydrophobicContact CD2-CD1 3.8Å; L79-I88 HydrophobicContact CD2-CG2 4.43Å; L79-L101 HydrophobicContact CD2-CD2 3.91Å; L79-L101 HydrophobicContact CG-CD2 4.33Å; L79-F103 HydrophobicContact CD2-CE1 3.96Å; L79-F103 HydrophobicContact CD2-CZ 3.98Å
80K94.4Very high95.1Very high130 Ų13038 Ų3857%0.56521%0.206SC*.THydrogen-bonded Turntrans-67.7-19.4170.3-75.5172.8-175.5-175.90113.1S76 K77 I78 A82S76-K80 WeakPolarHBondContact O-CG 3.35Å; S76-K80 PolarHBondContact O-N 2.88Å; S76-K80 VanDerWaalsContact O-N 3.11Å; K77-K80 WeakPolarHBondContact O-CB 3.25Å; K77-K80 PolarHBondContact O-N 2.78Å; I78-K80 PolarHBondContact O-N 2.86Å; K80-A82 VanDerWaalsContact C-N 3.29Å
81C94.4Very high95.2Very high60 Ų6042.4 Ų42.441%0.40522%0.222SC..THydrogen-bonded Turntrans-75.1-19.3174.4-59.20000112.8I78 L79 F103 Y114I78-C81 VanDerWaalsContact O-CB 3.22Å; I78-C81 WeakPolarHBondContact O-CB 3.33Å; I78-C81 PolarHBondContact O-N 2.97Å; L79-C81 PolarHBondContact O-N 2.82Å; C81-F103 HydrophobicContact CB-CE2 4.2Å; C81-Y114 HydrophobicContact CB-CE1 4.38Å; C81-Y114 HydrophobicContact CB-CE2 3.97Å; C81-Y114 WeakPolarHBondContact CB-OH 3.42Å
82A95.3Very high95.2Very high4 Ų441.6 Ų41.63%0.03322%0.219CC..SBendtrans-77.8137.1173.300000111.3K13 L79 K80 D86 I88 F103K13-A82 PolarHBondContact NZ-O 3.34Å; L79-A82 WeakPolarHBondContact O-CB 3.49Å; L79-A82 PolarHBondContact O-N 2.89Å; K80-A82 VanDerWaalsContact C-N 3.29Å; A82-D86 HydrophobicContact CB-CB 4.42Å; A82-I88 HydrophobicContact CB-CD1 3.99Å; A82-I88 HydrophobicContact CB-CG1 4.36Å; A82-F103 HydrophobicContact CB-CB 4.36Å; A82-F103 HydrophobicContact CB-CD1 4.01Å; A82-F103 HydrophobicContact CB-CD2 3.71Å; A82-F103 HydrophobicContact CB-CE1 4.21Å; A82-F103 HydrophobicContact CB-CE2 3.93Å; A82-F103 HydrophobicContact CB-CG 3.76Å; A82-F103 HydrophobicContact CB-CZ 4.18Å
83G93.2Very high95.2Very high28 Ų2848.9 Ų48.929%0.28925%0.252SS..  trans-59166.416500000112.2E85 D86G83-E85 VanDerWaalsContact C-N 3.33Å; G83-D86 WeakPolarHBondContact CA-OD2 3.34Å; G83-D86 VanDerWaalsContact N-CG 3.29Å; G83-D86 PolarHBondContact N-OD2 2.92Å
84N91.3Very high94.8Very high103 Ų10349 Ų4955%0.55125%0.25SC*.SBendtrans-76.1-25.5178.6-69.7-19.7000112.9S10 K13S10-N84 VanDerWaalsContact CB-O 3.27Å; S10-N84 WeakPolarHBondContact CB-O 3.33Å; S10-N84 PolarHBondContact OG-O 3.26Å; K13-N84 PolarHBondContact NZ-OD1 3.38Å
85E93.2Very high94.2Very high134 Ų13453.8 Ų53.863%0.62627%0.271SS*.SBendtrans-100.62.8177.5-53.4-54.3134.100112.1G83 L106G83-E85 VanDerWaalsContact C-N 3.33Å; E85-L106 HydrophobicContact CB-CD1 4.11Å; E85-L106 WeakPolarHBondContact O-CG 3.25Å
86D95.4Very high93.6Very high20 Ų2055.1 Ų55.111%0.10728%0.282CS..  trans-71.9144.4179.9-72.64.9000110.2G9 A82 G83 E104G9-D86 VanDerWaalsContact CA-O 3.31Å; G9-D86 WeakPolarHBondContact CA-O 3.28Å; G9-D86 PolarHBondContact N-O 3.11Å; G9-D86 VanDerWaalsContact N-O 3.17Å; A82-D86 HydrophobicContact CB-CB 4.42Å; G83-D86 WeakPolarHBondContact CA-OD2 3.34Å; G83-D86 VanDerWaalsContact N-CG 3.29Å; G83-D86 PolarHBondContact N-OD2 2.92Å; D86-E104 WeakPolarHBondContact CA-O 3.18Å
87I97.2Very high93.5Very high13 Ų1361.2 Ų61.27%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-80135.4169.9-55.2177.5000107.2R5 L6 F103 E104 L106R5-I87 HydrophobicContact CG-CG2 3.93Å; L6-I87 WeakPolarHBondContact O-CA 3.46Å; I87-F103 WeakPolarHBondContact O-CA 3.25Å; I87-E104 HydrophobicContact CB-CB 4.32Å; I87-E104 PolarHBondContact N-O 3.32Å; I87-E104 PolarHBondContact O-N 3.32Å; I87-L106 HydrophobicContact CD1-CD2 4.14Å; I87-L106 HydrophobicContact CG1-CD2 4.09Å
88I97.6Very high93.6Very high1 Ų156.7 Ų56.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-117.7125.3179.1-61.4-179.6000109.4L6 G9 L12 L79 A82 L90 V102 F103L6-I88 PolarHBondContact N-O 3.02Å; L6-I88 PolarHBondContact O-N 3.06Å; G9-I88 WeakPolarHBondContact O-CD1 3.27Å; L12-I88 HydrophobicContact CD2-CG2 3.97Å; L79-I88 HydrophobicContact CD2-CD1 3.8Å; L79-I88 HydrophobicContact CD2-CG2 4.43Å; A82-I88 HydrophobicContact CB-CD1 3.99Å; A82-I88 HydrophobicContact CB-CG1 4.36Å; I88-L90 HydrophobicContact CG2-CD2 4.24Å; I88-V102 WeakPolarHBondContact CA-O 3.38Å; I88-F103 HydrophobicContact CB-CD1 4.22Å; I88-F103 HydrophobicContact CB-CE1 4.42Å; I88-F103 HydrophobicContact CD1-CD1 4.27Å; I88-F103 HydrophobicContact CD1-CE1 4.12Å; I88-F103 HydrophobicContact CG1-CD1 3.7Å; I88-F103 HydrophobicContact CG1-CE1 3.99Å; I88-F103 HydrophobicContact CG2-CD1 3.98Å; I88-F103 HydrophobicContact CG2-CE1 3.78Å
89T97.9Very high93.6Very high2 Ų255.4 Ų55.41%0.01229%0.291CS..EExtended strand (participates in β ladder)trans-113.8125.8173.5-53.10000109.8E3 A4 R5 R91 L101 V102E3-T89 HydrophobicContact CG-CG2 3.93Å; A4-T89 CarbonylContact O-C 3.58Å; A4-T89 WeakPolarHBondContact O-CA 3.34Å; R5-T89 HydrophobicContact CB-CG2 4.42Å; T89-R91 HydrophobicContact CG2-CG 4.12Å; T89-L101 WeakPolarHBondContact O-CA 3.2Å; T89-V102 PolarHBondContact N-O 3.34Å; T89-V102 PolarHBondContact O-N 3.07Å
90L97.9Very high93.7Very high5 Ų556.7 Ų56.73%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-99.2132.7173.7-58.5-179.8000109.1F2 E3 A4 L12 W28 I35 M75 I88 L99 L101F2-L90 HydrophobicContact CE1-CB 4Å; F2-L90 HydrophobicContact CZ-CB 4.3Å; E3-L90 CarbonylContact C-O 3.53Å; E3-L90 VanDerWaalsContact CA-O 3.29Å; E3-L90 WeakPolarHBondContact CA-O 3.32Å; A4-L90 PolarHBondContact N-O 2.88Å; A4-L90 PolarHBondContact O-N 3.1Å; L12-L90 HydrophobicContact CD2-CD1 4.12Å; L12-L90 HydrophobicContact CD2-CD2 4.07Å; L12-L90 HydrophobicContact CD2-CG 4.38Å; W28-L90 HydrophobicContact CZ3-CD1 4.47Å; I35-L90 HydrophobicContact CD1-CD1 4.41Å; M75-L90 HydrophobicContact CE-CD2 4.4Å; I88-L90 HydrophobicContact CG2-CD2 4.24Å; L90-L99 HydrophobicContact CB-CD1 4.33Å; L90-L101 HydrophobicContact CD2-CD2 3.87Å; L90-L101 HydrophobicContact CD2-CG 3.89Å
91R97.3Very high93.9Very high92 Ų9250.5 Ų50.535%0.34728%0.275SS..EExtended strand (participates in β ladder)trans-137.1134.5179.9-69.2178.7170149.87.9111.9F2 E3 T89 A100F2-R91 WeakPolarHBondContact O-CA 3.38Å; E3-R91 HydrophobicContact CB-CG 4.33Å; E3-R91 VanDerWaalsContact CD-NE 3.25Å; E3-R91 HydrophobicContact CG-CG 3.99Å; E3-R91 IonicContact OE1-CZ 3.04Å; E3-R91 IonicContact OE1-NE 2.63Å; E3-R91 IonicContact OE1-NH2 2.75Å; E3-R91 PolarHBondContact OE1-NH2 2.82Å; E3-R91 IonicContact OE2-CZ 3.77Å; E3-R91 IonicContact OE2-NE 3.3Å; E3-R91 PolarHBondContact OE2-NE 3.17Å; E3-R91 IonicContact OE2-NH2 3.44Å; E3-R91 PolarHBondContact OE2-NH2 3.25Å; T89-R91 HydrophobicContact CG2-CG 4.12Å; R91-A100 HydrophobicContact CB-CB 4.18Å; R91-A100 PolarHBondContact N-O 2.98Å; R91-A100 PolarHBondContact O-N 2.88Å
92A96.8Very high94Very high5 Ų548.1 Ų48.14%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-145.4145.5172.500000110.9F2 L66 M68 A96 L99F2-A92 HydrophobicContact CB-CB 4.43Å; F2-A92 HydrophobicContact CD1-CB 4.07Å; F2-A92 PolarHBondContact N-O 3.4Å; F2-A92 PolarHBondContact O-N 2.81Å; L66-A92 HydrophobicContact CD1-CB 4.47Å; M68-A92 HydrophobicContact SD-CB 3.86Å; A92-A96 HydrophobicContact CB-CB 3.85Å; A92-L99 HydrophobicContact CB-CD1 4.37Å
93E93.6Very high94.1Very high152 Ų15248 Ų4871%0.7126%0.258SS*.  trans-77.8172.2169.1-63.4-164.7173.600111.7N95 A96E93-N95 VanDerWaalsContact C-N 3.3Å; E93-N95 PolarHBondContact O-N 3.48Å; E93-A96 WeakPolarHBondContact O-CB 3.2Å; E93-A96 PolarHBondContact O-N 3.04Å
94D85.1Confident94.3Very high53 Ų5348.7 Ų48.728%0.28325%0.253SS..THydrogen-bonded Turntrans-68.1-28.1-175.5-72.6-25.8000113.8M1 L66M1-D94 WeakPolarHBondContact CA-OD1 3.43Å; M1-D94 VanDerWaalsContact N-CG 3.29Å; M1-D94 PolarHBondContact N-OD1 2.64Å; M1-D94 PolarHBondContact N-OD2 3.26Å; L66-D94 WeakPolarHBondContact CD2-O 3.41Å
95N82.3Confident94.5Very high152 Ų15245.1 Ų45.181%0.81324%0.235SC*.THydrogen-bonded Turntrans-121.956.1173.8-66.2-23.7000108.4E93 D97E93-N95 VanDerWaalsContact C-N 3.3Å; E93-N95 PolarHBondContact O-N 3.48Å; N95-D97 PolarHBondContact O-N 3.37Å
96A81.9Confident94.3Very high27 Ų2743.9 Ų43.922%0.22323%0.232CC..  trans-73.6124.7-172.700000112.1A92 E93 T98 L118A92-A96 HydrophobicContact CB-CB 3.85Å; E93-A96 WeakPolarHBondContact O-CB 3.2Å; E93-A96 PolarHBondContact O-N 3.04Å; A96-T98 VanDerWaalsContact C-N 3.29Å; A96-T98 WeakPolarHBondContact CB-O 3.5Å; A96-L118 HydrophobicContact CB-CD1 3.99Å; A96-L118 WeakPolarHBondContact O-CD1 3.46Å
97D92.6Very high94.1Very high136 Ų13647.3 Ų47.373%0.72725%0.25SS*.SBendtrans-83.3-13.2162.7-65.4-36.4000111.4N95 L118N95-D97 PolarHBondContact O-N 3.37Å; D97-L118 PolarHBondContact O-N 3.25Å
98T95.8Very high93.6Very high42 Ų4253.5 Ų53.526%0.25828%0.279SS..EExtended strand (participates in β ladder)trans-141.4146.8-17466.80000112.8A96 E115 M116 K117A96-T98 VanDerWaalsContact C-N 3.29Å; A96-T98 WeakPolarHBondContact CB-O 3.5Å; T98-E115 WeakPolarHBondContact CB-OE1 3.46Å; T98-E115 HydrophobicContact CG2-CG 4.23Å; T98-E115 WeakPolarHBondContact CG2-OE1 3.25Å; T98-E115 PolarHBondContact OG1-OE1 2.99Å; T98-M116 CarbonylContact C-O 3.49Å; T98-M116 WeakPolarHBondContact CA-O 3.47Å; T98-M116 WeakPolarHBondContact CB-O 3.23Å; T98-K117 HydrophobicContact CG2-CG 4.33Å
99L97.2Very high93.4Very high1 Ų161.2 Ų61.21%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-105.5122.8171.4173.767.3000108.4M68 V70 M75 L90 A92 L101 M116 L118M68-L99 HydrophobicContact CE-CD1 4.4Å; M68-L99 HydrophobicContact SD-CD1 4.06Å; V70-L99 HydrophobicContact CG1-CD2 4.49Å; M75-L99 HydrophobicContact CE-CD2 4.3Å; L90-L99 HydrophobicContact CB-CD1 4.33Å; A92-L99 HydrophobicContact CB-CD1 4.37Å; L99-L101 HydrophobicContact CD2-CD1 4.43Å; L99-L101 HydrophobicContact CG-CD1 4.22Å; L99-M116 HydrophobicContact CB-CG 3.99Å; L99-M116 HydrophobicContact CD2-SD 4.31Å; L99-M116 PolarHBondContact N-O 2.93Å; L99-M116 PolarHBondContact O-N 3.03Å; L99-L118 HydrophobicContact CB-CD2 3.86Å; L99-L118 HydrophobicContact CB-CG 4.29Å
100A97.4Very high93.2Very high30 Ų3066.2 Ų66.225%0.24834%0.337CS..EExtended strand (participates in β ladder)trans-89.4134.4172.500000110.4R91 Y114R91-A100 HydrophobicContact CB-CB 4.18Å; R91-A100 PolarHBondContact N-O 2.98Å; R91-A100 PolarHBondContact O-N 2.88Å; A100-Y114 CarbonylContact C-O 3.58Å; A100-Y114 WeakPolarHBondContact CA-O 3.34Å
101L97.9Very high93.1Very high0 Ų069.4 Ų69.40%036%0.357CS..EExtended strand (participates in β ladder)trans-120.2114.7175.9-59.794.3000108.4M75 I78 L79 T89 L90 L99 F103 Y114 M116M75-L101 HydrophobicContact CE-CD2 4.36Å; I78-L101 HydrophobicContact CG2-CD1 4.31Å; I78-L101 HydrophobicContact CG2-CD2 4.27Å; L79-L101 HydrophobicContact CD2-CD2 3.91Å; L79-L101 HydrophobicContact CG-CD2 4.33Å; T89-L101 WeakPolarHBondContact O-CA 3.2Å; L90-L101 HydrophobicContact CD2-CD2 3.87Å; L90-L101 HydrophobicContact CD2-CG 3.89Å; L99-L101 HydrophobicContact CD2-CD1 4.43Å; L99-L101 HydrophobicContact CG-CD1 4.22Å; L101-F103 HydrophobicContact CB-CE1 3.83Å; L101-F103 HydrophobicContact CB-CZ 3.98Å; L101-F103 HydrophobicContact CD2-CE1 4.33Å; L101-F103 HydrophobicContact CD2-CZ 4.29Å; L101-Y114 PolarHBondContact N-O 3.27Å; L101-Y114 PolarHBondContact O-N 3.37Å; L101-M116 HydrophobicContact CD1-CG 3.95Å; L101-M116 HydrophobicContact CD1-SD 4.12Å
102V97.8Very high93.1Very high10 Ų1066 Ų666%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-107.7124.7178.7-173.10000108.7I88 T89 E104 V111 D113I88-V102 WeakPolarHBondContact CA-O 3.38Å; T89-V102 PolarHBondContact N-O 3.34Å; T89-V102 PolarHBondContact O-N 3.07Å; V102-E104 HydrophobicContact CG1-CG 4.2Å; V102-V111 HydrophobicContact CG1-CG1 3.8Å; V102-D113 WeakPolarHBondContact CG2-OD1 3.22Å
103F97.5Very high93.1Very high2 Ų271.4 Ų71.41%0.00938%0.375CS..EExtended strand (participates in β ladder)trans-110.9126.2177.6-50.8-31.9000110.1I78 L79 C81 A82 I87 I88 L101 V111 S112 Y114I78-F103 HydrophobicContact CG2-CE2 4.23Å; I78-F103 HydrophobicContact CG2-CZ 4Å; I78-F103 WeakPolarHBondContact O-CE2 3.17Å; L79-F103 HydrophobicContact CD2-CE1 3.96Å; L79-F103 HydrophobicContact CD2-CZ 3.98Å; C81-F103 HydrophobicContact CB-CE2 4.2Å; A82-F103 HydrophobicContact CB-CB 4.36Å; A82-F103 HydrophobicContact CB-CD1 4.01Å; A82-F103 HydrophobicContact CB-CD2 3.71Å; A82-F103 HydrophobicContact CB-CE1 4.21Å; A82-F103 HydrophobicContact CB-CE2 3.93Å; A82-F103 HydrophobicContact CB-CG 3.76Å; A82-F103 HydrophobicContact CB-CZ 4.18Å; I87-F103 WeakPolarHBondContact O-CA 3.25Å; I88-F103 HydrophobicContact CB-CD1 4.22Å; I88-F103 HydrophobicContact CB-CE1 4.42Å; I88-F103 HydrophobicContact CD1-CD1 4.27Å; I88-F103 HydrophobicContact CD1-CE1 4.12Å; I88-F103 HydrophobicContact CG1-CD1 3.7Å; I88-F103 HydrophobicContact CG1-CE1 3.99Å; I88-F103 HydrophobicContact CG2-CD1 3.98Å; I88-F103 HydrophobicContact CG2-CE1 3.78Å; L101-F103 HydrophobicContact CB-CE1 3.83Å; L101-F103 HydrophobicContact CB-CZ 3.98Å; L101-F103 HydrophobicContact CD2-CE1 4.33Å; L101-F103 HydrophobicContact CD2-CZ 4.29Å; F103-V111 CarbonylContact O-C 3.57Å; F103-V111 WeakPolarHBondContact O-CA 3.29Å; F103-S112 PolarHBondContact N-O 3.01Å; F103-S112 PolarHBondContact O-N 2.93Å; F103-Y114 AromaticContact CD2-CD2 3.67Å; F103-Y114 HydrophobicContact CD2-CD2 3.67Å; F103-Y114 AromaticContact CD2-CE2 3.57Å; F103-Y114 HydrophobicContact CD2-CE2 3.57Å; F103-Y114 AromaticContact CE2-CD2 3.45Å; F103-Y114 HydrophobicContact CE2-CD2 3.45Å; F103-Y114 VanDerWaalsContact CE2-CD2 3.45Å; F103-Y114 AromaticContact CE2-CE2 3.62Å; F103-Y114 HydrophobicContact CE2-CE2 3.62Å; F103-Y114 HydrophobicContact CE2-CG 4.4Å; F103-Y114 HydrophobicContact CZ-CD2 4.27Å
104E97Very high93.3Very high43 Ų4368 Ų6820%0.20136%0.356CS..EExtended strand (participates in β ladder)trans-125.3132.9-177.9-56.3176.888.200110.1D86 I87 V102 V111D86-E104 WeakPolarHBondContact CA-O 3.18Å; I87-E104 HydrophobicContact CB-CB 4.32Å; I87-E104 PolarHBondContact N-O 3.32Å; I87-E104 PolarHBondContact O-N 3.32Å; V102-E104 HydrophobicContact CG1-CG 4.2Å; E104-V111 HydrophobicContact CG-CG1 4.33Å; E104-V111 HydrophobicContact CG-CG2 4.29Å
105T94.7Very high93.8Very high27 Ų2771.8 Ų71.817%0.16637%0.372CS..  trans-71.9151.9170.656.20000110.6N107 Q108 E109 K110T105-N107 VanDerWaalsContact CB-OD1 3.3Å; T105-N107 WeakPolarHBondContact CB-OD1 3.45Å; T105-N107 PolarHBondContact O-N 3.45Å; T105-N107 VanDerWaalsContact O-N 3.13Å; T105-N107 PolarHBondContact OG1-OD1 3.43Å; T105-Q108 WeakPolarHBondContact O-CA 3.21Å; T105-Q108 PolarHBondContact O-N 3.4Å; T105-E109 PolarHBondContact OG1-N 2.78Å; T105-K110 HydrophobicContact CG2-CB 3.88Å; T105-K110 HydrophobicContact CG2-CD 4.5Å; T105-K110 PolarHBondContact N-O 3.49Å; T105-K110 VanDerWaalsContact N-O 3.08Å; T105-K110 PolarHBondContact OG1-N 3.11Å; T105-K110 PolarHBondContact OG1-O 2.87Å
106L89.9Confident94.5Very high109 Ų10965.2 Ų65.257%0.57134%0.337SS*.THydrogen-bonded Turntrans-56.6-32.1-179.7-68.1172.9000113.7E85 I87 Q108E85-L106 HydrophobicContact CB-CD1 4.11Å; E85-L106 WeakPolarHBondContact O-CG 3.25Å; I87-L106 HydrophobicContact CD1-CD2 4.14Å; I87-L106 HydrophobicContact CG1-CD2 4.09Å; L106-Q108 VanDerWaalsContact C-N 3.31Å
107N91.1Very high95.1Very high91 Ų9172.2 Ų72.249%0.48736%0.362SS..THydrogen-bonded Turntrans-86.41.6176.866.2-6.8000113.8T105 E109T105-N107 VanDerWaalsContact CB-OD1 3.3Å; T105-N107 WeakPolarHBondContact CB-OD1 3.45Å; T105-N107 PolarHBondContact O-N 3.45Å; T105-N107 VanDerWaalsContact O-N 3.13Å; T105-N107 PolarHBondContact OG1-OD1 3.43Å; N107-E109 HydrophobicContact CB-CG 4.4Å; N107-E109 WeakPolarHBondContact ND2-CG 3.42Å; N107-E109 PolarHBondContact ND2-OE1 2.96Å; N107-E109 PolarHBondContact ND2-OE2 2.97Å; N107-E109 PolarHBondContact O-N 2.61Å; N107-E109 VanDerWaalsContact O-N 3.09Å; N107-E109 PolarHBondContact OD1-N 3.5Å
108Q86.8Confident95.3Very high143 Ų14367.2 Ų67.267%0.66834%0.335SS*.SBendtrans58.915.2179.9-56.1179.10.600115.2T105 L106 K110T105-Q108 WeakPolarHBondContact O-CA 3.21Å; T105-Q108 PolarHBondContact O-N 3.4Å; L106-Q108 VanDerWaalsContact C-N 3.31Å; Q108-K110 VanDerWaalsContact C-N 3.29Å; Q108-K110 PolarHBondContact O-N 3.12Å
109E92.3Very high95.2Very high164 Ų16468 Ų6877%0.76634%0.336SS*.SBendtrans-72.6-24.6178.2-72176.8179.400112.8T105 N107T105-E109 PolarHBondContact OG1-N 2.78Å; N107-E109 HydrophobicContact CB-CG 4.4Å; N107-E109 WeakPolarHBondContact ND2-CG 3.42Å; N107-E109 PolarHBondContact ND2-OE1 2.96Å; N107-E109 PolarHBondContact ND2-OE2 2.97Å; N107-E109 PolarHBondContact O-N 2.61Å; N107-E109 VanDerWaalsContact O-N 3.09Å; N107-E109 PolarHBondContact OD1-N 3.5Å
110K93.8Very high94.8Very high106 Ų10676 Ų7646%0.46138%0.38SS..  trans-132128.3-179.1-179.1-172.7172.3-162.50110.2T105 Q108 S112T105-K110 HydrophobicContact CG2-CB 3.88Å; T105-K110 HydrophobicContact CG2-CD 4.5Å; T105-K110 PolarHBondContact N-O 3.49Å; T105-K110 VanDerWaalsContact N-O 3.08Å; T105-K110 PolarHBondContact OG1-N 3.11Å; T105-K110 PolarHBondContact OG1-O 2.87Å; Q108-K110 VanDerWaalsContact C-N 3.29Å; Q108-K110 PolarHBondContact O-N 3.12Å; K110-S112 VanDerWaalsContact CE-OG 3.24Å; K110-S112 WeakPolarHBondContact CE-OG 3.5Å
111V96.3Very high94.4Very high73 Ų7377.1 Ų77.144%0.44238%0.381SS..EExtended strand (participates in β ladder)trans-119.4138.7168.3-176.40000107.8V102 F103 E104V102-V111 HydrophobicContact CG1-CG1 3.8Å; F103-V111 CarbonylContact O-C 3.57Å; F103-V111 WeakPolarHBondContact O-CA 3.29Å; E104-V111 HydrophobicContact CG-CG1 4.33Å; E104-V111 HydrophobicContact CG-CG2 4.29Å
112S96.8Very high93.5Very high21 Ų2185.6 Ų85.615%0.14743%0.426CS..EExtended strand (participates in β ladder)trans-134.9118.4176.7-60.10000110.1F103 K110F103-S112 PolarHBondContact N-O 3.01Å; F103-S112 PolarHBondContact O-N 2.93Å; K110-S112 VanDerWaalsContact CE-OG 3.24Å; K110-S112 WeakPolarHBondContact CE-OG 3.5Å
113D96.9Very high92.3Very high117 Ų11788 Ų8863%0.62644%0.441SS*.EExtended strand (participates in β ladder)trans-100.3124179.8-58.8-78.9000109.9V102V102-D113 WeakPolarHBondContact CG2-OD1 3.22Å
114Y97.4Very high91.3Very high82 Ų8295.6 Ų95.632%0.32248%0.476SS..EExtended strand (participates in β ladder)trans-123.2151.2174.1-64.4-87.4000109.7I78 C81 A100 L101 F103I78-Y114 HydrophobicContact CG2-CD1 4.25Å; I78-Y114 HydrophobicContact CG2-CD2 4.33Å; I78-Y114 HydrophobicContact CG2-CG 3.81Å; C81-Y114 HydrophobicContact CB-CE1 4.38Å; C81-Y114 HydrophobicContact CB-CE2 3.97Å; C81-Y114 WeakPolarHBondContact CB-OH 3.42Å; A100-Y114 CarbonylContact C-O 3.58Å; A100-Y114 WeakPolarHBondContact CA-O 3.34Å; L101-Y114 PolarHBondContact N-O 3.27Å; L101-Y114 PolarHBondContact O-N 3.37Å; F103-Y114 AromaticContact CD2-CD2 3.67Å; F103-Y114 HydrophobicContact CD2-CD2 3.67Å; F103-Y114 AromaticContact CD2-CE2 3.57Å; F103-Y114 HydrophobicContact CD2-CE2 3.57Å; F103-Y114 AromaticContact CE2-CD2 3.45Å; F103-Y114 HydrophobicContact CE2-CD2 3.45Å; F103-Y114 VanDerWaalsContact CE2-CD2 3.45Å; F103-Y114 AromaticContact CE2-CE2 3.62Å; F103-Y114 HydrophobicContact CE2-CE2 3.62Å; F103-Y114 HydrophobicContact CE2-CG 4.4Å; F103-Y114 HydrophobicContact CZ-CD2 4.27Å
115E96.4Very high90.3Very high131 Ų13199.9 Ų99.961%0.61250%0.496SS*.EExtended strand (participates in β ladder)trans-134138177.9-170.717815600108.9T98T98-E115 WeakPolarHBondContact CB-OE1 3.46Å; T98-E115 HydrophobicContact CG2-CG 4.23Å; T98-E115 WeakPolarHBondContact CG2-OE1 3.25Å; T98-E115 PolarHBondContact OG1-OE1 2.99Å
116M96.3Very high89.8Confident14 Ų14102 Ų1027%0.06951%0.506CS..EExtended strand (participates in β ladder)trans-128.8144.6173.766.6178.8-7100111.2V70 M75 I78 T98 L99 L101V70-M116 HydrophobicContact CB-CE 4.35Å; V70-M116 HydrophobicContact CG1-CE 4.36Å; M75-M116 HydrophobicContact CB-CE 4.07Å; M75-M116 HydrophobicContact CB-SD 3.88Å; M75-M116 HydrophobicContact CG-SD 3.86Å; I78-M116 HydrophobicContact CD1-CB 3.64Å; I78-M116 HydrophobicContact CD1-CG 4.34Å; I78-M116 HydrophobicContact CD1-SD 4.21Å; T98-M116 CarbonylContact C-O 3.49Å; T98-M116 WeakPolarHBondContact CA-O 3.47Å; T98-M116 WeakPolarHBondContact CB-O 3.23Å; L99-M116 HydrophobicContact CB-CG 3.99Å; L99-M116 HydrophobicContact CD2-SD 4.31Å; L99-M116 PolarHBondContact N-O 2.93Å; L99-M116 PolarHBondContact O-N 3.03Å; L101-M116 HydrophobicContact CD1-CG 3.95Å; L101-M116 HydrophobicContact CD1-SD 4.12Å
117K96.1Very high89.5Confident175 Ų175100.5 Ų100.576%0.76152%0.517SS*.EExtended strand (participates in β ladder)trans-71.3136.4174-64.7-171.6175.9-170.50110.6T98T98-K117 HydrophobicContact CG2-CG 4.33Å
118L95.7Very high89.3Confident30 Ų3098.8 Ų98.816%0.15751%0.507CS..  trans-83.4165.4167.6-63.3178.5000109.6M68 G69 V70 A96 D97 L99M68-L118 HydrophobicContact CB-CD1 4.2Å; M68-L118 HydrophobicContact CB-CD2 4.03Å; M68-L118 HydrophobicContact CG-CD1 4.08Å; G69-L118 WeakPolarHBondContact O-CA 3.3Å; G69-L118 WeakPolarHBondContact O-CD2 3.44Å; V70-L118 HydrophobicContact CG1-CD2 3.69Å; A96-L118 HydrophobicContact CB-CD1 3.99Å; A96-L118 WeakPolarHBondContact O-CD1 3.46Å; D97-L118 PolarHBondContact O-N 3.25Å; L99-L118 HydrophobicContact CB-CD2 3.86Å; L99-L118 HydrophobicContact CB-CG 4.29Å
119M93.4Very high89.1Confident58 Ų5896.1 Ų96.129%0.28650%0.502SS..BIsolated β-bridgetrans-133.7150.217753.4179.86500109.8E25 G69 N71 L121E25-M119 HydrophobicContact CB-SD 4.24Å; E25-M119 VanDerWaalsContact CD-SD 3.58Å; E25-M119 HydrophobicContact CG-CE 4.23Å; E25-M119 HydrophobicContact CG-SD 3.74Å; G69-M119 VanDerWaalsContact CA-O 3.24Å; G69-M119 WeakPolarHBondContact CA-O 3.4Å; G69-M119 WeakPolarHBondContact O-CG 3.31Å; G69-M119 PolarHBondContact O-N 3.19Å; N71-M119 HydrophobicContact CB-CE 3.75Å; M119-L121 HydrophobicContact CG-CD1 4.31Å; M119-L121 HydrophobicContact CG-CD2 4.19Å; M119-L121 HydrophobicContact CG-CG 3.99Å; M119-L121 PolarHBondContact O-N 3.42Å; M119-L121 HydrophobicContact SD-CD1 4.27Å; M119-L121 HydrophobicContact SD-CD2 3.84Å; M119-L121 HydrophobicContact SD-CG 4.17Å
120D89.4Confident88.6Confident171 Ų17198 Ų9891%0.91451%0.511SS*.  trans-77.9121.6171-61.6-42.3000108.7
121L88.9Confident88.2Confident52 Ų5296 Ų9627%0.27250%0.503SS..  trans-122.1126.7176.2-65.9176.9000109.1E25 A26 M119 V123E25-L121 HydrophobicContact CB-CD1 4.25Å; E25-L121 HydrophobicContact CB-CD2 4.42Å; A26-L121 VanDerWaalsContact C-CD1 3.46Å; M119-L121 HydrophobicContact CG-CD1 4.31Å; M119-L121 HydrophobicContact CG-CD2 4.19Å; M119-L121 HydrophobicContact CG-CG 3.99Å; M119-L121 PolarHBondContact O-N 3.42Å; M119-L121 HydrophobicContact SD-CD1 4.27Å; M119-L121 HydrophobicContact SD-CD2 3.84Å; M119-L121 HydrophobicContact SD-CG 4.17Å; L121-V123 HydrophobicContact CB-CG2 3.89Å; L121-V123 PolarHBondContact O-N 3.17Å
122D78.6Confident87.9Confident179 Ų179101 Ų10196%0.95752%0.522SS*.  trans-76.6105166.9-71-36.6000108
123V72.8Confident87.8Confident60 Ų60102.2 Ų102.236%0.36452%0.524SS..  trans-109.1117.6-178.4-176.40000110.3C27 L121C27-V123 HydrophobicContact CB-CB 4.26Å; C27-V123 HydrophobicContact CB-CG2 3.36Å; L121-V123 HydrophobicContact CB-CG2 3.89Å; L121-V123 PolarHBondContact O-N 3.17Å
124E75.8Confident87.6Confident162 Ų16297.7 Ų97.776%0.75750%0.501SS*.  trans-83.8112.7167.1-68.8-173167.200109.2
125Q77.1Confident87.5Confident132 Ų13293.8 Ų93.862%0.61749%0.486SS*.  trans-77.6123.8170.2-72.2-170.1-14.400109.8D29D29-Q125 PolarHBondContact OD2-NE2 3.43Å
126L83.6Confident87.5Confident72 Ų7289.3 Ų89.338%0.37747%0.468SS..  trans-90.2124.8174.1-71.4167.2000109.5Q38 M40 L47 I128Q38-L126 PolarHBondContact NE2-O 2.86Å; Q38-L126 PolarHBondContact OE1-O 3.08Å; M40-L126 HydrophobicContact CE-CD1 3.72Å; M40-L126 HydrophobicContact CG-CD1 4.1Å; M40-L126 HydrophobicContact SD-CD1 3.77Å; L47-L126 HydrophobicContact CD1-CB 4.19Å; L47-L126 HydrophobicContact CD1-CD1 3.51Å; L47-L126 HydrophobicContact CD1-CG 4.47Å; L126-I128 PolarHBondContact O-N 3.26Å
127G84.3Confident87.6Confident77 Ų7788.7 Ų88.779%0.79446%0.464SS*.  trans-67.1113.9170.400000110P129G127-P129 WeakPolarHBondContact O-CD 3.38Å
128I86.6Confident87.6Confident56 Ų5683.8 Ų83.829%0.28744%0.443SS..  trans-93112.2173.6-57.5176.1000107.3L47 L126 Y250L47-I128 HydrophobicContact CD2-CD1 3.91Å; L126-I128 PolarHBondContact O-N 3.26Å; I128-Y250 HydrophobicContact CD1-CD2 4.49Å; I128-Y250 HydrophobicContact CD1-CE1 4.31Å; I128-Y250 HydrophobicContact CD1-CE2 3.73Å; I128-Y250 HydrophobicContact CG2-CE1 3.93Å
129P83.4Confident87.7Confident86 Ų8682.4 Ų82.456%0.55844%0.436SS*.  trans-69.7146.5-18028.9-33.6000111G127 Q131G127-P129 WeakPolarHBondContact O-CD 3.38Å; P129-Q131 PolarHBondContact O-N 2.85Å
130E81.7Confident87.9Confident203 Ų20381 Ų8195%0.94943%0.431SS*.  trans-67.7126.4162.5-69.1-173.1170.400108.4
131Q85.5Confident88.3Confident64 Ų6473.1 Ų73.130%0.29939%0.389SS..  trans-144146.7-177.262.4-17115.600110P129 Y133 I233P129-Q131 PolarHBondContact O-N 2.85Å; Q131-Y133 HydrophobicContact CG-CE1 4.3Å; Q131-Y133 HydrophobicContact CG-CE2 4.29Å; Q131-Y133 PolarHBondContact NE2-OH 3.01Å; Q131-Y133 WeakPolarHBondContact O-CE2 3.29Å; Q131-I233 HydrophobicContact CG-CD1 4.4Å
132E88.8Confident88.8Confident180 Ų18072.7 Ų72.784%0.84140%0.398SS*.  trans-82141.8173.9-66.1-174.6172.100110.2
133Y94.2Very high89.7Confident45 Ų4567.4 Ų67.418%0.17637%0.367CS..  trans-102.2139.4179.1-63.3-84.8000110.9Q131 C135 N200 S228 S230 I233 V236Q131-Y133 HydrophobicContact CG-CE1 4.3Å; Q131-Y133 HydrophobicContact CG-CE2 4.29Å; Q131-Y133 PolarHBondContact NE2-OH 3.01Å; Q131-Y133 WeakPolarHBondContact O-CE2 3.29Å; Y133-C135 VanDerWaalsContact C-N 3.33Å; Y133-N200 PolarHBondContact O-ND2 3.39Å; Y133-S228 VanDerWaalsContact CD1-CB 3.49Å; Y133-S228 VanDerWaalsContact CG-CB 3.42Å; Y133-S230 VanDerWaalsContact CA-OG 3.27Å; Y133-S230 WeakPolarHBondContact CA-OG 3.47Å; Y133-I233 HydrophobicContact CD1-CD1 3.79Å; Y133-I233 HydrophobicContact CE1-CD1 3.67Å; Y133-V236 HydrophobicContact CE1-CG2 3.89Å; Y133-V236 VanDerWaalsContact OH-CG2 3.25Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.42Å
134S94.4Very high90.9Very high23 Ų2364.6 Ų64.616%0.16135%0.35CS..SBendtrans-68.6-35177.4-62.10000111.3N200 E201 V203 M229 S230S134-N200 PolarHBondContact O-N 3.35Å; S134-E201 PolarHBondContact O-N 2.91Å; S134-V203 VanDerWaalsContact CB-CG2 3.43Å; S134-M229 PolarHBondContact N-O 2.95Å; S134-M229 VanDerWaalsContact N-O 3.13Å; S134-S230 PolarHBondContact N-OG 3.47Å; S134-S230 WeakPolarHBondContact OG-CB 3.21Å; S134-S230 PolarHBondContact OG-OG 3.5Å
135C95.1Very high92Very high0 Ų057.9 Ų57.90%032%0.323CS..EExtended strand (participates in β ladder)trans-140.8133.3173.3176.10000111.3Y133 V137 C162 E198 M199 V203 M229Y133-C135 VanDerWaalsContact C-N 3.33Å; C135-V137 WeakPolarHBondContact SG-CG2 3.25Å; C135-C162 HydrophobicContact CB-CB 3.83Å; C135-C162 WeakPolarHBondContact CB-SG 3.42Å; C135-C162 WeakPolarHBondContact SG-CB 3.42Å; C135-C162 CovalentContact SG-SG 2.06Å; C135-C162 PolarHBondContact SG-SG 2.79Å; C135-E198 CarbonylContact C-O 3.54Å; C135-E198 VanDerWaalsContact CA-O 3.32Å; C135-E198 WeakPolarHBondContact CA-O 3.35Å; C135-M199 HydrophobicContact CB-CG 4.29Å; C135-V203 HydrophobicContact CB-CG2 4.46Å; C135-M229 HydrophobicContact CB-CE 4.43Å; C135-M229 PolarHBondContact N-O 3.35Å; C135-M229 PolarHBondContact O-N 3.47Å
136V96.6Very high93.1Very high37 Ų3758 Ų5822%0.22432%0.318CS..EExtended strand (participates in β ladder)trans-120.2118.8171.8-177.80000108.6E198 T226 L227V136-E198 HydrophobicContact CB-CB 4.37Å; V136-E198 PolarHBondContact N-O 3.05Å; V136-E198 PolarHBondContact O-N 2.85Å; V136-T226 HydrophobicContact CG1-CG2 3.54Å; V136-L227 CarbonylContact C-O 3.57Å; V136-L227 WeakPolarHBondContact CA-O 3.26Å
137V96.9Very high93.8Very high0 Ų054.8 Ų54.80%030%0.301CS..EExtended strand (participates in β ladder)trans-116.3121.6179.9-173.90000109.4C135 M139 V167 V195 T196 I197 T226 L227 M229C135-V137 WeakPolarHBondContact SG-CG2 3.25Å; V137-M139 HydrophobicContact CB-CE 4.22Å; V137-M139 HydrophobicContact CG1-CE 3.31Å; V137-V167 HydrophobicContact CG1-CB 4.43Å; V137-V167 HydrophobicContact CG1-CG1 4.03Å; V137-V167 HydrophobicContact CG2-CB 4.35Å; V137-V167 HydrophobicContact CG2-CG2 4.45Å; V137-V195 HydrophobicContact CG1-CG1 4.44Å; V137-T196 WeakPolarHBondContact CA-O 3.29Å; V137-I197 HydrophobicContact CG1-CG1 4.19Å; V137-I197 HydrophobicContact CG2-CG1 4.49Å; V137-I197 HydrophobicContact CG2-CG2 4.39Å; V137-T226 CarbonylContact O-C 3.59Å; V137-T226 WeakPolarHBondContact O-CA 3.35Å; V137-L227 HydrophobicContact CB-CB 4.41Å; V137-L227 PolarHBondContact N-O 3.03Å; V137-L227 PolarHBondContact O-N 3.44Å; V137-M229 HydrophobicContact CG2-CE 4.02Å
138K97.3Very high94.4Very high73 Ų7351.2 Ų51.232%0.31726%0.263SS..EExtended strand (participates in β ladder)trans-110.8132.8170.4174.8-172.5176.2-166.90109.5V195 T196 V225K138-V195 CarbonylContact O-C 3.58Å; K138-V195 WeakPolarHBondContact O-CA 3.41Å; K138-T196 WeakPolarHBondContact CB-OG1 3.48Å; K138-T196 PolarHBondContact N-O 2.77Å; K138-T196 PolarHBondContact O-N 3.03Å; K138-V225 WeakPolarHBondContact CA-O 3.33Å
139M97.4Very high95Very high0 Ų055.5 Ų55.50%028%0.276CS..EExtended strand (participates in β ladder)trans-149.3169-176.670-174.370.100111.4V137 S141 F144 V167 F169 L182 V195 T224 V225 L227V137-M139 HydrophobicContact CB-CE 4.22Å; V137-M139 HydrophobicContact CG1-CE 3.31Å; M139-S141 PolarHBondContact O-N 2.79Å; M139-F144 HydrophobicContact CG-CB 4.3Å; M139-F144 HydrophobicContact SD-CB 3.93Å; M139-F144 HydrophobicContact SD-CD2 4.2Å; M139-F144 HydrophobicContact SD-CG 4.47Å; M139-V167 HydrophobicContact CE-CG1 4.16Å; M139-F169 HydrophobicContact CE-CE2 4.32Å; M139-F169 HydrophobicContact CE-CZ 3.93Å; M139-F169 HydrophobicContact SD-CZ 4.28Å; M139-L182 HydrophobicContact CE-CD1 4.23Å; M139-L182 HydrophobicContact SD-CD1 3.72Å; M139-V195 HydrophobicContact CB-CG1 4.41Å; M139-V195 HydrophobicContact CB-CG2 4.08Å; M139-T224 CarbonylContact O-C 3.54Å; M139-T224 VanDerWaalsContact O-CA 3.23Å; M139-T224 WeakPolarHBondContact O-CA 3.49Å; M139-V225 HydrophobicContact CG-CG1 3.71Å; M139-V225 PolarHBondContact N-O 3.42Å; M139-V225 PolarHBondContact O-N 2.81Å; M139-L227 HydrophobicContact CE-CD1 3.91Å
140P97.9Very high95.7Very high29 Ų2954.7 Ų54.719%0.18827%0.267CS..EExtended strand (participates in β ladder)trans-59.1128.2172.4-23.435.1000111.1G142 E143 F144 K223P140-G142 VanDerWaalsContact C-N 3.28Å; P140-G142 PolarHBondContact O-N 3.45Å; P140-E143 HydrophobicContact CB-CB 4.16Å; P140-E143 PolarHBondContact O-N 2.82Å; P140-E143 VanDerWaalsContact O-N 3.13Å; P140-F144 PolarHBondContact O-N 2.99Å; P140-K223 WeakPolarHBondContact CA-O 3.35Å
141S98.3Very high96.5Very high5 Ų545.3 Ų45.34%0.03522%0.223CC..Hα-helixtrans-63-36.1-177.654.80000112.4M139 E143 F144 A145 S222 K223M139-S141 PolarHBondContact O-N 2.79Å; S141-E143 VanDerWaalsContact C-N 3.31Å; S141-E143 PolarHBondContact O-N 2.87Å; S141-F144 PolarHBondContact O-N 2.8Å; S141-A145 WeakPolarHBondContact O-CB 3.17Å; S141-A145 PolarHBondContact O-N 2.82Å; S141-S222 VanDerWaalsContact CB-O 3.31Å; S141-S222 WeakPolarHBondContact CB-O 3.42Å; S141-S222 PolarHBondContact OG-O 2.91Å; S141-K223 PolarHBondContact N-O 2.87Å; S141-K223 PolarHBondContact OG-O 3.39Å; S141-K223 VanDerWaalsContact OG-O 3.05Å
142G98.3Very high97Very high44 Ų4443.8 Ų43.845%0.45422%0.22SC..Hα-helixtrans-63.7-34.2175.600000113.3P140 R146P140-G142 VanDerWaalsContact C-N 3.28Å; P140-G142 PolarHBondContact O-N 3.45Å; G142-R146 WeakPolarHBondContact O-CB 3.29Å; G142-R146 PolarHBondContact O-N 3.04Å
143E98Very high97.4Very high68 Ų6841.6 Ų41.632%0.31821%0.21SC..Hα-helixtrans-71.5-45.8176.5-173.859.6-159.300110.5P140 S141 A145 R146 I147 L182P140-E143 HydrophobicContact CB-CB 4.16Å; P140-E143 PolarHBondContact O-N 2.82Å; P140-E143 VanDerWaalsContact O-N 3.13Å; S141-E143 VanDerWaalsContact C-N 3.31Å; S141-E143 PolarHBondContact O-N 2.87Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 2.91Å; E143-R146 WeakPolarHBondContact O-CB 3.39Å; E143-R146 PolarHBondContact O-N 3.25Å; E143-R146 VanDerWaalsContact O-N 3.14Å; E143-I147 HydrophobicContact CG-CD1 4.1Å; E143-I147 VanDerWaalsContact O-CG1 3.32Å; E143-I147 WeakPolarHBondContact O-CG1 3.48Å; E143-I147 PolarHBondContact O-N 2.89Å; E143-L182 HydrophobicContact CG-CD1 4.34Å; E143-L182 HydrophobicContact CG-CD2 4.33Å
144F98.6Very high97.5Very high0 Ų041.7 Ų41.70%021%0.212CC..Hα-helixtrans-57.4-45.2174179.8-113.8000112.2M139 P140 S141 R146 I147 C148 F169 L212 T216 V225 L227 V237M139-F144 HydrophobicContact CG-CB 4.3Å; M139-F144 HydrophobicContact SD-CB 3.93Å; M139-F144 HydrophobicContact SD-CD2 4.2Å; M139-F144 HydrophobicContact SD-CG 4.47Å; P140-F144 PolarHBondContact O-N 2.99Å; S141-F144 PolarHBondContact O-N 2.8Å; F144-R146 VanDerWaalsContact C-N 3.3Å; F144-R146 PolarHBondContact O-N 3.34Å; F144-I147 PolarHBondContact O-N 3.44Å; F144-C148 PolarHBondContact O-N 3.03Å; F144-C148 PolarHBondContact O-SG 3.26Å; F144-C148 VanDerWaalsContact O-SG 3.4Å; F144-F169 HydrophobicContact CD2-CE1 4.28Å; F144-F169 HydrophobicContact CD2-CZ 4.36Å; F144-F169 HydrophobicContact CE2-CE1 4.09Å; F144-L212 HydrophobicContact CZ-CD2 4.37Å; F144-T216 HydrophobicContact CD1-CG2 3.77Å; F144-T216 HydrophobicContact CE1-CG2 3.76Å; F144-V225 HydrophobicContact CB-CG1 3.63Å; F144-V225 HydrophobicContact CD1-CG1 4.01Å; F144-V225 HydrophobicContact CD1-CG2 4.32Å; F144-V225 HydrophobicContact CG-CG1 3.89Å; F144-L227 HydrophobicContact CD2-CD1 4.13Å; F144-L227 HydrophobicContact CE1-CD2 4.39Å; F144-L227 HydrophobicContact CE2-CD1 3.81Å; F144-L227 HydrophobicContact CE2-CD2 4.04Å; F144-L227 HydrophobicContact CZ-CD2 3.93Å; F144-V237 HydrophobicContact CE1-CG1 4.16Å
145A98.6Very high97.6Very high22 Ų2241.1 Ų41.118%0.18221%0.211CC..Hα-helixtrans-59.5-40.4176.300000112.8S141 E143 R149 T216S141-A145 WeakPolarHBondContact O-CB 3.17Å; S141-A145 PolarHBondContact O-N 2.82Å; E143-A145 VanDerWaalsContact C-N 3.33Å; E143-A145 PolarHBondContact O-N 2.91Å; A145-R149 WeakPolarHBondContact O-CB 3.18Å; A145-R149 PolarHBondContact O-N 2.81Å; A145-R149 VanDerWaalsContact O-N 3.11Å; A145-T216 HydrophobicContact CB-CG2 3.99Å
146R98.6Very high97.7Very high135 Ų13547.6 Ų47.651%0.50925%0.245SC..Hα-helixtrans-64.5-47.8175.5-173.6178.8-161.4178.29.8111.5G142 E143 F144 C148 R149 D150G142-R146 WeakPolarHBondContact O-CB 3.29Å; G142-R146 PolarHBondContact O-N 3.04Å; E143-R146 WeakPolarHBondContact O-CB 3.39Å; E143-R146 PolarHBondContact O-N 3.25Å; E143-R146 VanDerWaalsContact O-N 3.14Å; F144-R146 VanDerWaalsContact C-N 3.3Å; F144-R146 PolarHBondContact O-N 3.34Å; R146-C148 PolarHBondContact O-N 2.91Å; R146-R149 PolarHBondContact O-N 3.44Å; R146-D150 WeakPolarHBondContact CG-OD2 3.44Å; R146-D150 IonicContact NE-OD2 2.8Å; R146-D150 VanDerWaalsContact O-CB 3.3Å; R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 2.77Å
147I98.6Very high97.7Very high4 Ų447 Ų472%0.02124%0.244CC..Hα-helixtrans-57-50.1178.8-69169.6000110.7E143 F144 R149 D150 L151 F169 V180 L182E143-I147 HydrophobicContact CG-CD1 4.1Å; E143-I147 VanDerWaalsContact O-CG1 3.32Å; E143-I147 WeakPolarHBondContact O-CG1 3.48Å; E143-I147 PolarHBondContact O-N 2.89Å; F144-I147 PolarHBondContact O-N 3.44Å; I147-R149 PolarHBondContact O-N 3.28Å; I147-D150 PolarHBondContact O-N 2.84Å; I147-L151 HydrophobicContact CG2-CD1 3.77Å; I147-L151 HydrophobicContact CG2-CG 4.35Å; I147-L151 WeakPolarHBondContact O-CB 3.42Å; I147-L151 WeakPolarHBondContact O-CG 3.48Å; I147-L151 PolarHBondContact O-N 2.67Å; I147-F169 HydrophobicContact CD1-CD2 4.04Å; I147-F169 HydrophobicContact CD1-CE2 4.05Å; I147-F169 HydrophobicContact CG2-CB 3.73Å; I147-F169 HydrophobicContact CG2-CD1 3.97Å; I147-F169 HydrophobicContact CG2-CD2 4.02Å; I147-F169 HydrophobicContact CG2-CG 3.64Å; I147-V180 HydrophobicContact CD1-CG1 3.91Å; I147-V180 HydrophobicContact CG1-CB 4.42Å; I147-V180 HydrophobicContact CG1-CG1 3.97Å; I147-L182 HydrophobicContact CD1-CD1 3.9Å; I147-L182 HydrophobicContact CD1-CD2 4.47Å; I147-L182 HydrophobicContact CD1-CG 4.28Å
148C98.5Very high97.8Very high2 Ų247.1 Ų47.11%0.01425%0.245CC..Hα-helixtrans-59.2-47.9178.6-66.50000111.5F144 R146 D150 S152 L209 L212 N213 T216F144-C148 PolarHBondContact O-N 3.03Å; F144-C148 PolarHBondContact O-SG 3.26Å; F144-C148 VanDerWaalsContact O-SG 3.4Å; R146-C148 PolarHBondContact O-N 2.91Å; C148-D150 PolarHBondContact O-N 2.99Å; C148-S152 WeakPolarHBondContact O-CB 3.38Å; C148-S152 PolarHBondContact O-N 2.81Å; C148-S152 PolarHBondContact O-OG 3.31Å; C148-L209 HydrophobicContact CB-CD2 4.3Å; C148-L212 HydrophobicContact CB-CB 4.47Å; C148-N213 WeakPolarHBondContact CB-OD1 3.47Å; C148-T216 HydrophobicContact CB-CG2 4.17Å
149R98.3Very high97.8Very high146 Ų14646.3 Ų46.355%0.55124%0.243SC*.Hα-helixtrans-62.6-46-179.3-176.8-174.265.6-166.6-4.5112.4A145 R146 I147 S152 N213A145-R149 WeakPolarHBondContact O-CB 3.18Å; A145-R149 PolarHBondContact O-N 2.81Å; A145-R149 VanDerWaalsContact O-N 3.11Å; R146-R149 PolarHBondContact O-N 3.44Å; I147-R149 PolarHBondContact O-N 3.28Å; R149-S152 WeakPolarHBondContact O-CB 3.33Å; R149-S152 PolarHBondContact O-N 3.11Å; R149-N213 PolarHBondContact N-OD1 2.99Å
150D97.9Very high97.8Very high69 Ų6946.3 Ų46.337%0.36924%0.243SC..Hα-helixtrans-70.6-41.6-174.5-65.21.5000110.3R146 I147 C148 S152 Q153R146-D150 WeakPolarHBondContact CG-OD2 3.44Å; R146-D150 IonicContact NE-OD2 2.8Å; R146-D150 VanDerWaalsContact O-CB 3.3Å; R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 2.77Å; I147-D150 PolarHBondContact O-N 2.84Å; C148-D150 PolarHBondContact O-N 2.99Å; D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 2.95Å; D150-Q153 WeakPolarHBondContact O-CB 3.42Å; D150-Q153 PolarHBondContact O-N 3.14Å
151L98.1Very high97.7Very high6 Ų646 Ų463%0.03124%0.241CC..Hα-helixtrans-69.4-25.5175.1-67.6-179.2000113.5I147 Q153 I154 G155 V158 F169 A171 V180 L209I147-L151 HydrophobicContact CG2-CD1 3.77Å; I147-L151 HydrophobicContact CG2-CG 4.35Å; I147-L151 WeakPolarHBondContact O-CB 3.42Å; I147-L151 WeakPolarHBondContact O-CG 3.48Å; I147-L151 PolarHBondContact O-N 2.67Å; L151-Q153 PolarHBondContact O-N 3.33Å; L151-I154 WeakPolarHBondContact O-CB 3.42Å; L151-I154 PolarHBondContact O-N 3.27Å; L151-G155 PolarHBondContact O-N 3.2Å; L151-G155 VanDerWaalsContact O-N 3.17Å; L151-V158 HydrophobicContact CD1-CG2 3.71Å; L151-F169 HydrophobicContact CD1-CB 3.61Å; L151-A171 HydrophobicContact CB-CB 3.97Å; L151-A171 HydrophobicContact CD2-CB 4.1Å; L151-A171 HydrophobicContact CG-CB 4.42Å; L151-V180 HydrophobicContact CD2-CG2 4.48Å; L151-L209 HydrophobicContact CB-CD1 4.04Å; L151-L209 HydrophobicContact CB-CD2 4.45Å
152S97.3Very high97.6Very high32 Ų3245.8 Ų45.822%0.22424%0.24CC..THydrogen-bonded Turntrans-67.9-15.4173.6-55.30000113.3C148 R149 D150 I154 N213C148-S152 WeakPolarHBondContact O-CB 3.38Å; C148-S152 PolarHBondContact O-N 2.81Å; C148-S152 PolarHBondContact O-OG 3.31Å; R149-S152 WeakPolarHBondContact O-CB 3.33Å; R149-S152 PolarHBondContact O-N 3.11Å; D150-S152 VanDerWaalsContact C-N 3.3Å; D150-S152 PolarHBondContact O-N 2.95Å; S152-I154 VanDerWaalsContact C-N 3.26Å; S152-N213 PolarHBondContact OG-ND2 3.38Å
153Q96.5Very high97.3Very high134 Ų13445.2 Ų45.263%0.62623%0.231SC*.THydrogen-bonded Turntrans-77.9-15.2170.1-54.7-54.7-65.400112.1D150 L151D150-Q153 WeakPolarHBondContact O-CB 3.42Å; D150-Q153 PolarHBondContact O-N 3.14Å; L151-Q153 PolarHBondContact O-N 3.33Å
154I96.9Very high96.5Very high46 Ų4651.6 Ų51.624%0.23626%0.258CS..THydrogen-bonded Turntrans-99.4-44-176.4-54.2-59.1000111.4L151 S152 A171 G173 G176L151-I154 WeakPolarHBondContact O-CB 3.42Å; L151-I154 PolarHBondContact O-N 3.27Å; S152-I154 VanDerWaalsContact C-N 3.26Å; I154-A171 HydrophobicContact CB-CB 4.42Å; I154-G173 VanDerWaalsContact O-CA 3.25Å; I154-G173 WeakPolarHBondContact O-CA 3.46Å; I154-G173 PolarHBondContact O-N 3.42Å; I154-G176 VanDerWaalsContact CG2-O 3.25Å; I154-G176 WeakPolarHBondContact CG2-O 3.23Å
155G96.2Very high95.7Very high12 Ų1256.2 Ų56.212%0.12428%0.283CS..  trans-162.6174179.100000113.3L151 L209L151-G155 PolarHBondContact O-N 3.2Å; L151-G155 VanDerWaalsContact O-N 3.17Å; G155-L209 WeakPolarHBondContact O-CD1 3.33Å
156D96.7Very high95.4Very high136 Ų13655.4 Ų55.473%0.72728%0.276SS*.SBendtrans-85.9-8.7-173.1-61.9-35.7000114.1L209D156-L209 PolarHBondContact O-N 3.03Å
157A97.3Very high95.3Very high25 Ų2549 Ų4921%0.20725%0.252CS..EExtended strand (participates in β ladder)trans-134.1149.1-178.700000111.6A171 I206 F207 K254A157-A171 WeakPolarHBondContact O-CB 3.42Å; A157-I206 HydrophobicContact CB-CG2 3.81Å; A157-F207 CarbonylContact C-O 3.53Å; A157-F207 WeakPolarHBondContact CA-O 3.35Å; A157-K254 HydrophobicContact CB-CD 4.21Å
158V98.1Very high95.3Very high2 Ų252.5 Ų52.51%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-120.1130.4173.262.30000109.7L151 I160 F169 S170 I206 F207 L209 L212L151-V158 HydrophobicContact CD1-CG2 3.71Å; V158-I160 HydrophobicContact CG1-CD1 4.44Å; V158-I160 HydrophobicContact CG1-CG1 4.19Å; V158-I160 HydrophobicContact CG2-CG1 4.28Å; V158-F169 HydrophobicContact CG2-CB 3.97Å; V158-F169 HydrophobicContact CG2-CD1 4.21Å; V158-S170 CarbonylContact C-O 3.59Å; V158-S170 WeakPolarHBondContact CA-O 3.4Å; V158-I206 CarbonylContact O-C 3.54Å; V158-I206 WeakPolarHBondContact O-CA 3.31Å; V158-F207 PolarHBondContact N-O 3.17Å; V158-F207 PolarHBondContact O-N 2.82Å; V158-L209 HydrophobicContact CB-CD1 4.02Å; V158-L209 HydrophobicContact CB-CD2 3.82Å; V158-L209 HydrophobicContact CB-CG 3.78Å; V158-L209 HydrophobicContact CG1-CD2 3.68Å; V158-L209 HydrophobicContact CG1-CG 3.84Å; V158-L212 HydrophobicContact CG1-CD1 3.4Å; V158-L212 VanDerWaalsContact CG1-CD1 3.4Å
159M97.9Very high95.3Very high55 Ų5552.4 Ų52.427%0.27127%0.266SS..EExtended strand (participates in β ladder)trans-86.8118.4165.9-179.1-178.7-76.100108.5F169 S170 Q204 L205 I206M159-F169 CarbonylContact O-C 3.59Å; M159-F169 WeakPolarHBondContact O-CA 3.49Å; M159-S170 PolarHBondContact N-O 2.96Å; M159-S170 PolarHBondContact O-N 3.09Å; M159-Q204 HydrophobicContact CG-CG 3.9Å; M159-Q204 HydrophobicContact SD-CG 4.09Å; M159-Q204 PolarHBondContact SD-NE2 2.92Å; M159-L205 CarbonylContact C-O 3.56Å; M159-L205 WeakPolarHBondContact CA-O 3.36Å; M159-I206 HydrophobicContact CB-CG1 4.17Å; M159-I206 HydrophobicContact CE-CD1 3.82Å; M159-I206 HydrophobicContact CE-CG1 3.98Å; M159-I206 HydrophobicContact CG-CG1 4.29Å
160I97.8Very high95.3Very high0 Ų046.3 Ų46.30%025%0.246CC..EExtended strand (participates in β ladder)trans-103.5118175.4-50.7-179.6000107.4V158 V167 K168 F169 Q204 L205 F207 L212 M229 L235V158-I160 HydrophobicContact CG1-CD1 4.44Å; V158-I160 HydrophobicContact CG1-CG1 4.19Å; V158-I160 HydrophobicContact CG2-CG1 4.28Å; I160-V167 HydrophobicContact CG2-CG2 3.93Å; I160-K168 WeakPolarHBondContact CA-O 3.35Å; I160-F169 HydrophobicContact CD1-CD1 4.2Å; I160-F169 HydrophobicContact CD1-CE1 3.93Å; I160-F169 HydrophobicContact CG1-CD1 3.84Å; I160-F169 HydrophobicContact CG1-CE1 4Å; I160-F169 HydrophobicContact CG2-CD1 4.26Å; I160-F169 HydrophobicContact CG2-CE1 3.96Å; I160-F169 HydrophobicContact CG2-CZ 4.46Å; I160-Q204 WeakPolarHBondContact O-CA 3.41Å; I160-L205 PolarHBondContact N-O 3.01Å; I160-L205 PolarHBondContact O-N 2.95Å; I160-F207 HydrophobicContact CD1-CD2 3.73Å; I160-F207 HydrophobicContact CD1-CE2 4.08Å; I160-F207 HydrophobicContact CG1-CD2 4.05Å; I160-F207 HydrophobicContact CG1-CE2 4.41Å; I160-L212 HydrophobicContact CD1-CD1 4.43Å; I160-M229 HydrophobicContact CB-SD 4.28Å; I160-M229 HydrophobicContact CG2-CE 4.21Å; I160-M229 HydrophobicContact CG2-SD 3.7Å; I160-L235 HydrophobicContact CD1-CD2 4.31Å
161S96.4Very high95.3Very high22 Ų2243.2 Ų43.215%0.15423%0.23CC..EExtended strand (participates in β ladder)trans-118.3121.8179.4-56.40000109.9V167 K168 V203 Q204S161-V167 CarbonylContact O-C 3.57Å; S161-V167 WeakPolarHBondContact O-CA 3.43Å; S161-K168 PolarHBondContact N-O 3.02Å; S161-K168 PolarHBondContact O-N 3.14Å; S161-V203 CarbonylContact C-O 3.52Å; S161-V203 VanDerWaalsContact CA-O 3.32Å; S161-V203 WeakPolarHBondContact CA-O 3.46Å; S161-Q204 WeakPolarHBondContact OG-CG 3.47Å
162C95.5Very high95.2Very high1 Ų147.1 Ų47.11%0.00726%0.258CS..EExtended strand (participates in β ladder)trans-106.2120.1173178.40000108.8C135 P202 V203 M229C135-C162 HydrophobicContact CB-CB 3.83Å; C135-C162 WeakPolarHBondContact CB-SG 3.42Å; C135-C162 WeakPolarHBondContact SG-CB 3.42Å; C135-C162 CovalentContact SG-SG 2.06Å; C135-C162 PolarHBondContact SG-SG 2.79Å; C162-P202 WeakPolarHBondContact O-CA 3.35Å; C162-V203 PolarHBondContact N-O 3.29Å; C162-V203 PolarHBondContact O-N 3.1Å; C162-V203 VanDerWaalsContact O-N 3.15Å; C162-M229 HydrophobicContact CB-CE 4.05Å
163A91.1Very high95Very high33 Ų3347.1 Ų47.127%0.27326%0.263SS..EExtended strand (participates in β ladder)trans-140.8177178.500000110.5D165 G166 M199A163-D165 WeakPolarHBondContact CB-OD1 3.48Å; A163-D165 PolarHBondContact O-N 2.86Å; A163-G166 PolarHBondContact N-O 3.07Å; A163-G166 PolarHBondContact O-N 3.1Å; A163-G166 VanDerWaalsContact O-N 3.1Å; A163-G166 VanDerWaalsContact O-O 3.09Å; A163-M199 VanDerWaalsContact C-SD 3.51Å; A163-M199 VanDerWaalsContact CA-SD 3.53Å
164K82.4Confident94.8Very high202 Ų20250.6 Ų50.688%0.87828%0.279SS*.THydrogen-bonded Turntrans-56-26.1-176.1-69.9-173.9177.8179.70114.1M199K164-M199 HydrophobicContact CB-CE 4.37Å; K164-M199 HydrophobicContact CG-CE 3.67Å
165D80.4Confident94.6Very high97 Ų9755.6 Ų55.652%0.51931%0.305SS..THydrogen-bonded Turntrans-97.41.7-173.666.8-31.9000113.6A163 K181A163-D165 WeakPolarHBondContact CB-OD1 3.48Å; A163-D165 PolarHBondContact O-N 2.86Å; D165-K181 WeakPolarHBondContact O-CE 3.47Å; D165-K181 PolarHBondContact O-NZ 3.02Å; D165-K181 VanDerWaalsContact O-NZ 3.11Å; D165-K181 WeakPolarHBondContact OD2-CE 3.46Å; D165-K181 IonicContact OD2-NZ 3.67Å; D165-K181 PolarHBondContact OD2-NZ 3.34Å
166G92.4Very high94.5Very high4 Ų456.4 Ų56.44%0.04131%0.314CS..EExtended strand (participates in β ladder)trans137.3-172175.800000113.8A163 L182A163-G166 PolarHBondContact N-O 3.07Å; A163-G166 PolarHBondContact O-N 3.1Å; A163-G166 VanDerWaalsContact O-N 3.1Å; A163-G166 VanDerWaalsContact O-O 3.09Å; G166-L182 CarbonylContact C-O 3.55Å; G166-L182 VanDerWaalsContact CA-O 3.28Å; G166-L182 WeakPolarHBondContact CA-O 3.3Å
167V97.1Very high94.5Very high0 Ų054.7 Ų54.70%031%0.309CS..EExtended strand (participates in β ladder)trans-99.9135.2168.162.80000109.4V137 M139 I160 S161 F169 K181 L182V137-V167 HydrophobicContact CG1-CB 4.43Å; V137-V167 HydrophobicContact CG1-CG1 4.03Å; V137-V167 HydrophobicContact CG2-CB 4.35Å; V137-V167 HydrophobicContact CG2-CG2 4.45Å; M139-V167 HydrophobicContact CE-CG1 4.16Å; I160-V167 HydrophobicContact CG2-CG2 3.93Å; S161-V167 CarbonylContact O-C 3.57Å; S161-V167 WeakPolarHBondContact O-CA 3.43Å; V167-F169 HydrophobicContact CG1-CE2 3.92Å; V167-F169 HydrophobicContact CG1-CZ 4.5Å; V167-F169 HydrophobicContact CG2-CE2 3.85Å; V167-F169 HydrophobicContact CG2-CZ 3.95Å; V167-K181 WeakPolarHBondContact O-CA 3.48Å; V167-L182 HydrophobicContact CG1-CB 3.8Å; V167-L182 HydrophobicContact CG1-CD1 4.4Å; V167-L182 HydrophobicContact CG1-CG 4.44Å; V167-L182 PolarHBondContact N-O 2.8Å; V167-L182 PolarHBondContact O-N 3.37Å
168K97.8Very high94.5Very high78 Ų7854.1 Ų54.134%0.33931%0.305SS..EExtended strand (participates in β ladder)trans-121.9133.6179.4-171.1-170.3177.5-154.20110.1I160 S161 S170 N179 V180 K181I160-K168 WeakPolarHBondContact CA-O 3.35Å; S161-K168 PolarHBondContact N-O 3.02Å; S161-K168 PolarHBondContact O-N 3.14Å; K168-S170 WeakPolarHBondContact CE-OG 3.2Å; K168-S170 PolarHBondContact NZ-OG 3.05Å; K168-N179 WeakPolarHBondContact CE-OD1 3.4Å; K168-N179 PolarHBondContact NZ-OD1 3.39Å; K168-V180 CarbonylContact C-O 3.52Å; K168-V180 WeakPolarHBondContact CA-O 3.46Å; K168-K181 HydrophobicContact CG-CB 4.48Å
169F98.4Very high94.5Very high1 Ų158.2 Ų58.20%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-111.7121.6173.5-58.4-94.8000108.4M139 F144 I147 L151 V158 M159 I160 V167 N179 V180 L182 L227M139-F169 HydrophobicContact CE-CE2 4.32Å; M139-F169 HydrophobicContact CE-CZ 3.93Å; M139-F169 HydrophobicContact SD-CZ 4.28Å; F144-F169 HydrophobicContact CD2-CE1 4.28Å; F144-F169 HydrophobicContact CD2-CZ 4.36Å; F144-F169 HydrophobicContact CE2-CE1 4.09Å; I147-F169 HydrophobicContact CD1-CD2 4.04Å; I147-F169 HydrophobicContact CD1-CE2 4.05Å; I147-F169 HydrophobicContact CG2-CB 3.73Å; I147-F169 HydrophobicContact CG2-CD1 3.97Å; I147-F169 HydrophobicContact CG2-CD2 4.02Å; I147-F169 HydrophobicContact CG2-CG 3.64Å; L151-F169 HydrophobicContact CD1-CB 3.61Å; V158-F169 HydrophobicContact CG2-CB 3.97Å; V158-F169 HydrophobicContact CG2-CD1 4.21Å; M159-F169 CarbonylContact O-C 3.59Å; M159-F169 WeakPolarHBondContact O-CA 3.49Å; I160-F169 HydrophobicContact CD1-CD1 4.2Å; I160-F169 HydrophobicContact CD1-CE1 3.93Å; I160-F169 HydrophobicContact CG1-CD1 3.84Å; I160-F169 HydrophobicContact CG1-CE1 4Å; I160-F169 HydrophobicContact CG2-CD1 4.26Å; I160-F169 HydrophobicContact CG2-CE1 3.96Å; I160-F169 HydrophobicContact CG2-CZ 4.46Å; V167-F169 HydrophobicContact CG1-CE2 3.92Å; V167-F169 HydrophobicContact CG1-CZ 4.5Å; V167-F169 HydrophobicContact CG2-CE2 3.85Å; V167-F169 HydrophobicContact CG2-CZ 3.95Å; F169-N179 CarbonylContact O-C 3.52Å; F169-N179 WeakPolarHBondContact O-CA 3.45Å; F169-V180 PolarHBondContact N-O 3.2Å; F169-V180 PolarHBondContact O-N 3.38Å; F169-L182 HydrophobicContact CE2-CD1 4.27Å; F169-L227 HydrophobicContact CE1-CD1 4.27Å; F169-L227 HydrophobicContact CZ-CD1 4.13Å
170S98.2Very high94.5Very high17 Ų1757.6 Ų57.612%0.11933%0.326CS..EExtended strand (participates in β ladder)trans-128.4132-177.6-42.70000110.3V158 M159 K168 G178 N179V158-S170 CarbonylContact C-O 3.59Å; V158-S170 WeakPolarHBondContact CA-O 3.4Å; M159-S170 PolarHBondContact N-O 2.96Å; M159-S170 PolarHBondContact O-N 3.09Å; K168-S170 WeakPolarHBondContact CE-OG 3.2Å; K168-S170 PolarHBondContact NZ-OG 3.05Å; S170-G178 CarbonylContact C-O 3.58Å; S170-G178 VanDerWaalsContact CA-O 3.3Å; S170-G178 WeakPolarHBondContact CA-O 3.31Å; S170-N179 PolarHBondContact OG-OD1 2.85Å
171A97.9Very high94.4Very high5 Ų562.2 Ų62.24%0.04135%0.346CS..EExtended strand (participates in β ladder)trans-129148172.400000109.7L151 I154 A157 T177 G178 L209L151-A171 HydrophobicContact CB-CB 3.97Å; L151-A171 HydrophobicContact CD2-CB 4.1Å; L151-A171 HydrophobicContact CG-CB 4.42Å; I154-A171 HydrophobicContact CB-CB 4.42Å; A157-A171 WeakPolarHBondContact O-CB 3.42Å; A171-T177 CarbonylContact O-C 3.6Å; A171-T177 WeakPolarHBondContact O-CA 3.27Å; A171-G178 PolarHBondContact N-O 3.27Å; A171-G178 PolarHBondContact O-N 2.89Å; A171-L209 HydrophobicContact CB-CD1 4.36Å
172S96.1Very high94.4Very high87 Ų8762.3 Ų62.361%0.60835%0.345SS*.EExtended strand (participates in β ladder)trans-134.2140.7177.2-172.40000109.1
173G94.8Very high94.3Very high32 Ų3265.5 Ų65.533%0.3337%0.367SS..EExtended strand (participates in β ladder)trans-167.5-165.2174.700000111.4I154 L175 G176I154-G173 VanDerWaalsContact O-CA 3.25Å; I154-G173 WeakPolarHBondContact O-CA 3.46Å; I154-G173 PolarHBondContact O-N 3.42Å; G173-L175 VanDerWaalsContact C-N 3.28Å; G173-L175 PolarHBondContact O-N 3.02Å; G173-G176 PolarHBondContact N-O 2.79Å; G173-G176 PolarHBondContact O-N 3.03Å; G173-G176 VanDerWaalsContact O-N 3.08Å; G173-G176 VanDerWaalsContact O-O 3.12Å
174E92.4Very high94.3Very high207 Ų20770.1 Ų70.197%0.96738%0.383SS*.THydrogen-bonded Turntrans-61.6-34.6-171.4-62.4-173.3167.900113.5G176E174-G176 VanDerWaalsContact C-N 3.27Å; E174-G176 PolarHBondContact O-N 3.41Å
175L91.3Very high94.6Very high151 Ų15163.7 Ų63.779%0.79136%0.36SS*.THydrogen-bonded Turntrans-76.9-12.8-179.6-63.9178.5000113.2G173G173-L175 VanDerWaalsContact C-N 3.28Å; G173-L175 PolarHBondContact O-N 3.02Å
176G94.9Very high94.4Very high30 Ų3064.6 Ų64.631%0.30937%0.374SS..EExtended strand (participates in β ladder)trans132.2-147.6179.500000113.1I154 G173 E174I154-G176 VanDerWaalsContact CG2-O 3.25Å; I154-G176 WeakPolarHBondContact CG2-O 3.23Å; G173-G176 PolarHBondContact N-O 2.79Å; G173-G176 PolarHBondContact O-N 3.03Å; G173-G176 VanDerWaalsContact O-N 3.08Å; G173-G176 VanDerWaalsContact O-O 3.12Å; E174-G176 VanDerWaalsContact C-N 3.27Å; E174-G176 PolarHBondContact O-N 3.41Å
177T96.8Very high93.5Very high100 Ų10067.1 Ų67.161%0.61339%0.387SS*.EExtended strand (participates in β ladder)trans-123.4141.1-178.163.10000111.2A171A171-T177 CarbonylContact O-C 3.6Å; A171-T177 WeakPolarHBondContact O-CA 3.27Å
178G97.4Very high91.9Very high12 Ų1273.3 Ų73.312%0.12443%0.425CS..EExtended strand (participates in β ladder)trans-119.1134.1175.700000109.7S170 A171S170-G178 CarbonylContact C-O 3.58Å; S170-G178 VanDerWaalsContact CA-O 3.3Å; S170-G178 WeakPolarHBondContact CA-O 3.31Å; A171-G178 PolarHBondContact N-O 3.27Å; A171-G178 PolarHBondContact O-N 2.89Å
179N97.3Very high90.8Very high89 Ų8976.8 Ų76.848%0.47645%0.447SS..EExtended strand (participates in β ladder)trans-137121.4180-65.4-95.3000109.2K168 F169 S170K168-N179 WeakPolarHBondContact CE-OD1 3.4Å; K168-N179 PolarHBondContact NZ-OD1 3.39Å; F169-N179 CarbonylContact O-C 3.52Å; F169-N179 WeakPolarHBondContact O-CA 3.45Å; S170-N179 PolarHBondContact OG-OD1 2.85Å
180V97.8Very high89.9Confident42 Ų4281.2 Ų81.226%0.25547%0.466SS..EExtended strand (participates in β ladder)trans-121.7130.7173-174.50000108.4I147 L151 K168 F169I147-V180 HydrophobicContact CD1-CG1 3.91Å; I147-V180 HydrophobicContact CG1-CB 4.42Å; I147-V180 HydrophobicContact CG1-CG1 3.97Å; L151-V180 HydrophobicContact CD2-CG2 4.48Å; K168-V180 CarbonylContact C-O 3.52Å; K168-V180 WeakPolarHBondContact CA-O 3.46Å; F169-V180 PolarHBondContact N-O 3.2Å; F169-V180 PolarHBondContact O-N 3.38Å
181K97.1Very high89.1Confident97 Ų9787.3 Ų87.342%0.42249%0.493SS..EExtended strand (participates in β ladder)trans-124129178.6-174.4-178.9172.1-171.60109.8D165 V167 K168D165-K181 WeakPolarHBondContact O-CE 3.47Å; D165-K181 PolarHBondContact O-NZ 3.02Å; D165-K181 VanDerWaalsContact O-NZ 3.11Å; D165-K181 WeakPolarHBondContact OD2-CE 3.46Å; D165-K181 IonicContact OD2-NZ 3.67Å; D165-K181 PolarHBondContact OD2-NZ 3.34Å; V167-K181 WeakPolarHBondContact O-CA 3.48Å; K168-K181 HydrophobicContact CG-CB 4.48Å
182L95.6Very high88.4Confident24 Ų2489.6 Ų89.613%0.12650%0.504CS..EExtended strand (participates in β ladder)trans-110.1118.2172.1-55.1178.9000108.6M139 E143 I147 G166 V167 F169 V195M139-L182 HydrophobicContact CE-CD1 4.23Å; M139-L182 HydrophobicContact SD-CD1 3.72Å; E143-L182 HydrophobicContact CG-CD1 4.34Å; E143-L182 HydrophobicContact CG-CD2 4.33Å; I147-L182 HydrophobicContact CD1-CD1 3.9Å; I147-L182 HydrophobicContact CD1-CD2 4.47Å; I147-L182 HydrophobicContact CD1-CG 4.28Å; G166-L182 CarbonylContact C-O 3.55Å; G166-L182 VanDerWaalsContact CA-O 3.28Å; G166-L182 WeakPolarHBondContact CA-O 3.3Å; V167-L182 HydrophobicContact CG1-CB 3.8Å; V167-L182 HydrophobicContact CG1-CD1 4.4Å; V167-L182 HydrophobicContact CG1-CG 4.44Å; V167-L182 PolarHBondContact N-O 2.8Å; V167-L182 PolarHBondContact O-N 3.37Å; F169-L182 HydrophobicContact CE2-CD1 4.27Å; L182-V195 HydrophobicContact CB-CG1 4.33Å; L182-V195 HydrophobicContact CB-CG2 4.46Å; L182-V195 HydrophobicContact CD1-CG2 4.45Å
183S93.7Very high88.1Confident67 Ų6790.2 Ų90.247%0.46950%0.498SS..  trans-81.3152.4171.2-58.80000109.9T185S183-T185 PolarHBondContact O-N 2.96Å
184Q89.9Confident88Confident131 Ų13189.1 Ų89.161%0.61249%0.485SS*.  trans-58.2131170.4-175.6174.1-9.600109.8V195 I197Q184-V195 WeakPolarHBondContact CA-O 3.35Å; Q184-I197 HydrophobicContact CB-CD1 4.23Å; Q184-I197 HydrophobicContact CB-CG1 4.44Å
185T88.6Confident88Confident66 Ų6679.8 Ų79.841%0.40544%0.442SS..  trans-123.9153.5176.959.30000109.8S183 V195S183-T185 PolarHBondContact O-N 2.96Å; T185-V195 PolarHBondContact N-O 2.94Å; T185-V195 PolarHBondContact OG1-N 3.43Å
186S77.6Confident88.2Confident116 Ų11675.3 Ų75.381%0.81142%0.421SS*.  trans-122.5124.5167.548.10000107.2
187N72.4Confident88.1Confident57 Ų5774.8 Ų74.831%0.30541%0.411SS..  trans-131.299173.3-168.8-11.3000107.7D189 K190 E191 A194N187-D189 PolarHBondContact O-N 3.47Å; N187-D189 PolarHBondContact OD1-N 3Å; N187-K190 CarbonylContact O-C 3.4Å; N187-K190 PolarHBondContact O-N 2.86Å; N187-E191 PolarHBondContact O-N 2.87Å; N187-A194 HydrophobicContact CB-CB 4.48Å
188V64.9Low88Confident131 Ų13176.6 Ų76.679%0.79441%0.413SS*.THydrogen-bonded Turntrans-64.7-28.6-175.4-172.90000111.1
189D74.9Confident87.8Confident151 Ų15178.5 Ų78.581%0.80742%0.419SS*.THydrogen-bonded Turntrans-86.4-18.7-177.3-61.3-39.5000112.9N187N187-D189 PolarHBondContact O-N 3.47Å; N187-D189 PolarHBondContact OD1-N 3Å
190K79.1Confident87.5Confident94 Ų9480.4 Ų80.441%0.40943%0.429SS..  trans-149.577.6-176.2-60.9-173.6-177.3177.70112.1N187 D192 E193N187-K190 CarbonylContact O-C 3.4Å; N187-K190 PolarHBondContact O-N 2.86Å; K190-D192 PolarHBondContact O-N 3.12Å; K190-E193 HydrophobicContact CB-CB 4.18Å; K190-E193 HydrophobicContact CB-CG 4.18Å; K190-E193 HydrophobicContact CD-CG 4.11Å; K190-E193 WeakPolarHBondContact CD-OE1 3.45Å; K190-E193 VanDerWaalsContact CD-OE2 3.28Å; K190-E193 WeakPolarHBondContact CD-OE2 3.33Å; K190-E193 IonicContact NZ-OE1 2.67Å; K190-E193 PolarHBondContact NZ-OE1 3.11Å; K190-E193 IonicContact NZ-OE2 3.65Å; K190-E193 PolarHBondContact NZ-OE2 3.04Å; K190-E193 PolarHBondContact O-N 2.75Å
191E80.4Confident87.3Confident144 Ų14484.3 Ų84.367%0.67345%0.445SS*.G310 helixtrans-59.6-25.7179.4-65.1-174.3169.900113.4N187 E193 A194N187-E191 PolarHBondContact O-N 2.87Å; E191-E193 VanDerWaalsContact C-N 3.28Å; E191-E193 PolarHBondContact O-N 2.56Å; E191-A194 PolarHBondContact O-N 2.86Å
192D84.4Confident87.2Confident53 Ų5384.5 Ų84.528%0.28346%0.456SS..G310 helixtrans-74.7-14.1176.956.4-29.5000113.9K190 K223 T224K190-D192 PolarHBondContact O-N 3.12Å; D192-K223 HydrophobicContact CB-CB 4.15Å; D192-K223 HydrophobicContact CB-CD 4.07Å; D192-K223 WeakPolarHBondContact OD2-CD 3.48Å; D192-K223 IonicContact OD2-NZ 2.6Å; D192-K223 PolarHBondContact OD2-NZ 3.26Å; D192-T224 HydrophobicContact CB-CG2 4.2Å
193E89.5Confident87.1Confident101 Ų10183.9 Ų83.947%0.47245%0.453SS..G310 helixtrans-96.6-8.4172.5-67.1-176.9-170.800112.6K190 E191K190-E193 HydrophobicContact CB-CB 4.18Å; K190-E193 HydrophobicContact CB-CG 4.18Å; K190-E193 HydrophobicContact CD-CG 4.11Å; K190-E193 WeakPolarHBondContact CD-OE1 3.45Å; K190-E193 VanDerWaalsContact CD-OE2 3.28Å; K190-E193 WeakPolarHBondContact CD-OE2 3.33Å; K190-E193 IonicContact NZ-OE1 2.67Å; K190-E193 PolarHBondContact NZ-OE1 3.11Å; K190-E193 IonicContact NZ-OE2 3.65Å; K190-E193 PolarHBondContact NZ-OE2 3.04Å; K190-E193 PolarHBondContact O-N 2.75Å; E191-E193 VanDerWaalsContact C-N 3.28Å; E191-E193 PolarHBondContact O-N 2.56Å
194A91.3Very high87.2Confident8 Ų886.5 Ų86.57%0.06646%0.458CS..  trans-81.3153-176.300000112.8N187 E191N187-A194 HydrophobicContact CB-CB 4.48Å; E191-A194 PolarHBondContact O-N 2.86Å
195V94.1Very high87.5Confident11 Ų1181.4 Ų81.47%0.06744%0.435CS..  trans-109.5112.3170-179.50000108V137 K138 M139 L182 Q184 T185 I197V137-V195 HydrophobicContact CG1-CG1 4.44Å; K138-V195 CarbonylContact O-C 3.58Å; K138-V195 WeakPolarHBondContact O-CA 3.41Å; M139-V195 HydrophobicContact CB-CG1 4.41Å; M139-V195 HydrophobicContact CB-CG2 4.08Å; L182-V195 HydrophobicContact CB-CG1 4.33Å; L182-V195 HydrophobicContact CB-CG2 4.46Å; L182-V195 HydrophobicContact CD1-CG2 4.45Å; Q184-V195 WeakPolarHBondContact CA-O 3.35Å; T185-V195 PolarHBondContact N-O 2.94Å; T185-V195 PolarHBondContact OG1-N 3.43Å; V195-I197 HydrophobicContact CG1-CD1 4.43Å; V195-I197 HydrophobicContact CG1-CG1 4.22Å
196T93.9Very high88Confident57 Ų5779.9 Ų79.935%0.3542%0.424SS..EExtended strand (participates in β ladder)trans-108135.3176.762.70000109.9V137 K138V137-T196 WeakPolarHBondContact CA-O 3.29Å; K138-T196 WeakPolarHBondContact CB-OG1 3.48Å; K138-T196 PolarHBondContact N-O 2.77Å; K138-T196 PolarHBondContact O-N 3.03Å
197I94.1Very high88.9Confident20 Ų2074.4 Ų74.410%0.10339%0.385CS..EExtended strand (participates in β ladder)trans-128.9116.1-177.2-56.1177.1000107.2V137 Q184 V195 M199V137-I197 HydrophobicContact CG1-CG1 4.19Å; V137-I197 HydrophobicContact CG2-CG1 4.49Å; V137-I197 HydrophobicContact CG2-CG2 4.39Å; Q184-I197 HydrophobicContact CB-CD1 4.23Å; Q184-I197 HydrophobicContact CB-CG1 4.44Å; V195-I197 HydrophobicContact CG1-CD1 4.43Å; V195-I197 HydrophobicContact CG1-CG1 4.22Å; I197-M199 HydrophobicContact CG2-CB 4.24Å
198E93.9Very high90.1Very high138 Ų13872.6 Ų72.665%0.64538%0.379SS*.EExtended strand (participates in β ladder)trans-105.5110.5169.5-65.8177.5-169.200106.9C135 V136C135-E198 CarbonylContact C-O 3.54Å; C135-E198 VanDerWaalsContact CA-O 3.32Å; C135-E198 WeakPolarHBondContact CA-O 3.35Å; V136-E198 HydrophobicContact CB-CB 4.37Å; V136-E198 PolarHBondContact N-O 3.05Å; V136-E198 PolarHBondContact O-N 2.85Å
199M92.8Very high91.7Very high52 Ų5266.5 Ų66.526%0.25634%0.341SS..EExtended strand (participates in β ladder)trans-128.2116.3-174-174.1-170.670.500110.3C135 A163 K164 I197 E201C135-M199 HydrophobicContact CB-CG 4.29Å; A163-M199 VanDerWaalsContact C-SD 3.51Å; A163-M199 VanDerWaalsContact CA-SD 3.53Å; K164-M199 HydrophobicContact CB-CE 4.37Å; K164-M199 HydrophobicContact CG-CE 3.67Å; I197-M199 HydrophobicContact CG2-CB 4.24Å; M199-E201 WeakPolarHBondContact CG-O 3.35Å
200N91.9Very high92.7Very high128 Ų12863.7 Ų63.768%0.68433%0.327SS*.SBendtrans-86.1-47.2169.8-64.3-39.1000110.2Y133 S134Y133-N200 PolarHBondContact O-ND2 3.39Å; S134-N200 PolarHBondContact O-N 3.35Å
201E93.1Very high93.6Very high125 Ų12561 Ų6158%0.58431%0.314SS*.SBendtrans-135.8146.1179.9-63.5-176166.300111S134 M199S134-E201 PolarHBondContact O-N 2.91Å; M199-E201 WeakPolarHBondContact CG-O 3.35Å
202P94.4Very high94.5Very high100 Ų10054.1 Ų54.165%0.64928%0.282SS*.  trans-61.8139172.9-19.732.2000111.3C162C162-P202 WeakPolarHBondContact O-CA 3.35Å
203V95Very high95.2Very high12 Ų1253.3 Ų53.37%0.07328%0.277CS..EExtended strand (participates in β ladder)trans-131.3139.5179.3178.20000109.6S134 C135 S161 C162 L205 M229S134-V203 VanDerWaalsContact CB-CG2 3.43Å; C135-V203 HydrophobicContact CB-CG2 4.46Å; S161-V203 CarbonylContact C-O 3.52Å; S161-V203 VanDerWaalsContact CA-O 3.32Å; S161-V203 WeakPolarHBondContact CA-O 3.46Å; C162-V203 PolarHBondContact N-O 3.29Å; C162-V203 PolarHBondContact O-N 3.1Å; C162-V203 VanDerWaalsContact O-N 3.15Å; V203-L205 HydrophobicContact CG1-CD1 3.71Å; V203-L205 HydrophobicContact CG1-CG 3.77Å; V203-M229 HydrophobicContact CG1-CB 4.05Å
204Q95.6Very high95.5Very high121 Ų12150.8 Ų50.857%0.56527%0.265SS*.EExtended strand (participates in β ladder)trans-139.7116.9173.6174.8175.1-15.200109.2M159 I160 S161M159-Q204 HydrophobicContact CG-CG 3.9Å; M159-Q204 HydrophobicContact SD-CG 4.09Å; M159-Q204 PolarHBondContact SD-NE2 2.92Å; I160-Q204 WeakPolarHBondContact O-CA 3.41Å; S161-Q204 WeakPolarHBondContact OG-CG 3.47Å
205L96.6Very high95.9Very high24 Ų2450.4 Ų50.413%0.12626%0.262CS..EExtended strand (participates in β ladder)trans-138.8151.8-176.2-64.1169.9000110.2M159 I160 V203 F207 S230 P253M159-L205 CarbonylContact C-O 3.56Å; M159-L205 WeakPolarHBondContact CA-O 3.36Å; I160-L205 PolarHBondContact N-O 3.01Å; I160-L205 PolarHBondContact O-N 2.95Å; V203-L205 HydrophobicContact CG1-CD1 3.71Å; V203-L205 HydrophobicContact CG1-CG 3.77Å; L205-F207 HydrophobicContact CB-CD2 4.43Å; L205-F207 HydrophobicContact CB-CE1 4.48Å; L205-F207 HydrophobicContact CB-CE2 3.47Å; L205-F207 VanDerWaalsContact CB-CE2 3.47Å; L205-F207 HydrophobicContact CB-CZ 3.48Å; L205-F207 VanDerWaalsContact CB-CZ 3.48Å; L205-F207 HydrophobicContact CD1-CE2 4.38Å; L205-F207 HydrophobicContact CD1-CZ 3.77Å; L205-F207 HydrophobicContact CG-CZ 4.27Å; L205-S230 WeakPolarHBondContact CD1-O 3.3Å; L205-P253 HydrophobicContact CB-CB 4.42Å; L205-P253 HydrophobicContact CD2-CB 4.22Å
206I97.4Very high96.1Very high35 Ų3550.9 Ų50.918%0.17927%0.265CS..EExtended strand (participates in β ladder)trans-109.4133.9-179.9-58174.2000108.9A157 V158 M159 P253 K254A157-I206 HydrophobicContact CB-CG2 3.81Å; V158-I206 CarbonylContact O-C 3.54Å; V158-I206 WeakPolarHBondContact O-CA 3.31Å; M159-I206 HydrophobicContact CB-CG1 4.17Å; M159-I206 HydrophobicContact CE-CD1 3.82Å; M159-I206 HydrophobicContact CE-CG1 3.98Å; M159-I206 HydrophobicContact CG-CG1 4.29Å; I206-P253 CarbonylContact O-C 3.49Å; I206-P253 WeakPolarHBondContact O-CA 3.12Å; I206-K254 HydrophobicContact CB-CB 4.29Å; I206-K254 HydrophobicContact CG2-CB 4.13Å; I206-K254 HydrophobicContact CG2-CD 4.26Å; I206-K254 HydrophobicContact CG2-CG 4.47Å; I206-K254 PolarHBondContact O-N 2.94Å
207F97.7Very high96.3Very high0 Ų051.8 Ų51.80%026%0.264CS..EExtended strand (participates in β ladder)trans-131.1149.7-180-59.2-76.9000111.4A157 V158 I160 L205 L209 L212 L235 L251 P253A157-F207 CarbonylContact C-O 3.53Å; A157-F207 WeakPolarHBondContact CA-O 3.35Å; V158-F207 PolarHBondContact N-O 3.17Å; V158-F207 PolarHBondContact O-N 2.82Å; I160-F207 HydrophobicContact CD1-CD2 3.73Å; I160-F207 HydrophobicContact CD1-CE2 4.08Å; I160-F207 HydrophobicContact CG1-CD2 4.05Å; I160-F207 HydrophobicContact CG1-CE2 4.41Å; L205-F207 HydrophobicContact CB-CD2 4.43Å; L205-F207 HydrophobicContact CB-CE1 4.48Å; L205-F207 HydrophobicContact CB-CE2 3.47Å; L205-F207 VanDerWaalsContact CB-CE2 3.47Å; L205-F207 HydrophobicContact CB-CZ 3.48Å; L205-F207 VanDerWaalsContact CB-CZ 3.48Å; L205-F207 HydrophobicContact CD1-CE2 4.38Å; L205-F207 HydrophobicContact CD1-CZ 3.77Å; L205-F207 HydrophobicContact CG-CZ 4.27Å; F207-L209 PolarHBondContact O-N 2.75Å; F207-L212 HydrophobicContact CB-CD1 4.2Å; F207-L235 HydrophobicContact CD1-CB 4.18Å; F207-L235 HydrophobicContact CD1-CD2 4.3Å; F207-L235 HydrophobicContact CD2-CD2 4.05Å; F207-L235 HydrophobicContact CE1-CB 3.44Å; F207-L235 VanDerWaalsContact CE1-CB 3.44Å; F207-L235 HydrophobicContact CE1-CD2 4.27Å; F207-L235 HydrophobicContact CE1-CG 4.49Å; F207-L235 HydrophobicContact CE2-CB 4.1Å; F207-L235 HydrophobicContact CE2-CD2 4Å; F207-L235 HydrophobicContact CG-CD2 4.2Å; F207-L235 HydrophobicContact CZ-CB 3.4Å; F207-L235 VanDerWaalsContact CZ-CB 3.4Å; F207-L235 HydrophobicContact CZ-CD2 4.13Å; F207-L235 HydrophobicContact CZ-CG 4.3Å; F207-L251 HydrophobicContact CB-CD2 3.93Å; F207-L251 HydrophobicContact CD1-CD2 4.02Å; F207-L251 HydrophobicContact CD1-CG 4.06Å; F207-L251 HydrophobicContact CG-CD2 4.29Å; F207-P253 HydrophobicContact CD1-CB 4.36Å; F207-P253 HydrophobicContact CE1-CB 3.78Å; F207-P253 HydrophobicContact CZ-CB 4.26Å
208A97.5Very high96.5Very high20 Ų2050.9 Ų50.917%0.16526%0.259CS..EExtended strand (participates in β ladder)trans-69.9121.4172.700000110.6N210 Y211A208-N210 VanDerWaalsContact C-N 3.26Å; A208-N210 PolarHBondContact O-N 3.04Å; A208-Y211 HydrophobicContact CB-CD2 3.9Å; A208-Y211 PolarHBondContact O-N 2.63Å
209L97.7Very high96.7Very high2 Ų245.8 Ų45.81%0.0124%0.238CC..Hα-helixtrans-66.5-28.2-176.3-90164.4000113C148 L151 G155 D156 V158 A171 F207 Y211 L212 N213C148-L209 HydrophobicContact CB-CD2 4.3Å; L151-L209 HydrophobicContact CB-CD1 4.04Å; L151-L209 HydrophobicContact CB-CD2 4.45Å; G155-L209 WeakPolarHBondContact O-CD1 3.33Å; D156-L209 PolarHBondContact O-N 3.03Å; V158-L209 HydrophobicContact CB-CD1 4.02Å; V158-L209 HydrophobicContact CB-CD2 3.82Å; V158-L209 HydrophobicContact CB-CG 3.78Å; V158-L209 HydrophobicContact CG1-CD2 3.68Å; V158-L209 HydrophobicContact CG1-CG 3.84Å; A171-L209 HydrophobicContact CB-CD1 4.36Å; F207-L209 PolarHBondContact O-N 2.75Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 2.95Å; L209-L212 HydrophobicContact CD2-CD1 4.39Å; L209-L212 PolarHBondContact O-N 2.6Å; L209-N213 PolarHBondContact O-N 3.38Å; L209-N213 PolarHBondContact O-ND2 2.6Å; L209-N213 VanDerWaalsContact O-ND2 3.12Å
210N97Very high96.9Very high93 Ų9346.9 Ų46.950%0.49725%0.249SC..Hα-helixtrans-56.1-45.6176.4-171.336.6000112A208 N213 F214A208-N210 VanDerWaalsContact C-N 3.26Å; A208-N210 PolarHBondContact O-N 3.04Å; N210-N213 PolarHBondContact O-N 2.85Å; N210-F214 WeakPolarHBondContact O-CG 3.41Å; N210-F214 PolarHBondContact O-N 3.13Å; N210-F214 VanDerWaalsContact O-N 3.14Å; N210-F214 WeakPolarHBondContact OD1-CZ 3.48Å
211Y98.1Very high97.1Very high36 Ų3641.7 Ų41.714%0.14122%0.221CC..Hα-helixtrans-67.1-43.2177.9-76.3-83.4000112.1L22 D41 S43 V45 A208 L209 N213 F214 F215 L251L22-Y211 HydrophobicContact CD1-CD1 3.86Å; L22-Y211 HydrophobicContact CD1-CE1 4Å; D41-Y211 HydrophobicContact CB-CE1 4.38Å; D41-Y211 WeakPolarHBondContact OD2-CE1 3.3Å; D41-Y211 PolarHBondContact OD2-OH 3.4Å; S43-Y211 PolarHBondContact OG-OH 3.2Å; V45-Y211 HydrophobicContact CG1-CE2 4.39Å; A208-Y211 HydrophobicContact CB-CD2 3.9Å; A208-Y211 PolarHBondContact O-N 2.63Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 2.95Å; Y211-N213 PolarHBondContact O-N 2.77Å; Y211-F214 HydrophobicContact CD1-CD2 4.36Å; Y211-F214 WeakPolarHBondContact O-CA 3.44Å; Y211-F214 WeakPolarHBondContact O-CB 3.44Å; Y211-F214 PolarHBondContact O-N 3.26Å; Y211-F215 VanDerWaalsContact O-CD1 3.25Å; Y211-F215 WeakPolarHBondContact O-CD1 3.34Å; Y211-F215 WeakPolarHBondContact O-CG 3.14Å; Y211-F215 PolarHBondContact O-N 3Å; Y211-L251 HydrophobicContact CD1-CD1 4.16Å; Y211-L251 HydrophobicContact CD2-CD1 4.04Å; Y211-L251 HydrophobicContact CG-CD1 3.69Å
212L98.3Very high97.3Very high0 Ų036.6 Ų36.60%020%0.199CC..Hα-helixtrans-60.9-36.8177-61.4-178.4000111.5F144 C148 V158 I160 F207 L209 F214 F215 T216 L235 V237 L251F144-L212 HydrophobicContact CZ-CD2 4.37Å; C148-L212 HydrophobicContact CB-CB 4.47Å; V158-L212 HydrophobicContact CG1-CD1 3.4Å; V158-L212 VanDerWaalsContact CG1-CD1 3.4Å; I160-L212 HydrophobicContact CD1-CD1 4.43Å; F207-L212 HydrophobicContact CB-CD1 4.2Å; L209-L212 HydrophobicContact CD2-CD1 4.39Å; L209-L212 PolarHBondContact O-N 2.6Å; L212-F214 VanDerWaalsContact C-N 3.31Å; L212-F214 PolarHBondContact O-N 3.42Å; L212-F215 HydrophobicContact CD2-CD2 3.9Å; L212-F215 HydrophobicContact CD2-CE2 4.07Å; L212-F215 PolarHBondContact O-N 2.82Å; L212-T216 WeakPolarHBondContact O-CG2 3.39Å; L212-T216 PolarHBondContact O-N 3.16Å; L212-L235 HydrophobicContact CD2-CD2 3.91Å; L212-V237 HydrophobicContact CD2-CG2 4.45Å; L212-L251 HydrophobicContact CD2-CD2 3.72Å; L212-L251 HydrophobicContact CG-CD2 4.12Å
213N98.3Very high97.4Very high36 Ų3638.9 Ų38.919%0.19320%0.199CC..Hα-helixtrans-66.6-28.7172-73.3-43.6000113.7C148 R149 S152 L209 N210 Y211 T216C148-N213 WeakPolarHBondContact CB-OD1 3.47Å; R149-N213 PolarHBondContact N-OD1 2.99Å; S152-N213 PolarHBondContact OG-ND2 3.38Å; L209-N213 PolarHBondContact O-N 3.38Å; L209-N213 PolarHBondContact O-ND2 2.6Å; L209-N213 VanDerWaalsContact O-ND2 3.12Å; N210-N213 PolarHBondContact O-N 2.85Å; Y211-N213 PolarHBondContact O-N 2.77Å; N213-T216 PolarHBondContact O-OG1 2.91Å
214F97.7Very high97.6Very high49 Ų4939.3 Ų39.322%0.21520%0.202CC..Hα-helixtrans-68-43.4169.5-60.9-29.7000110.8D21 L22 N210 Y211 L212 T216 K217D21-F214 HydrophobicContact CB-CD1 4.5Å; L22-F214 HydrophobicContact CD1-CD2 4.19Å; N210-F214 WeakPolarHBondContact O-CG 3.41Å; N210-F214 PolarHBondContact O-N 3.13Å; N210-F214 VanDerWaalsContact O-N 3.14Å; N210-F214 WeakPolarHBondContact OD1-CZ 3.48Å; Y211-F214 HydrophobicContact CD1-CD2 4.36Å; Y211-F214 WeakPolarHBondContact O-CA 3.44Å; Y211-F214 WeakPolarHBondContact O-CB 3.44Å; Y211-F214 PolarHBondContact O-N 3.26Å; L212-F214 VanDerWaalsContact C-N 3.31Å; L212-F214 PolarHBondContact O-N 3.42Å; F214-T216 VanDerWaalsContact C-N 3.3Å; F214-T216 PolarHBondContact O-N 2.8Å; F214-K217 VanDerWaalsContact O-CB 3.31Å; F214-K217 WeakPolarHBondContact O-CB 3.49Å; F214-K217 WeakPolarHBondContact O-CG 3.49Å; F214-K217 PolarHBondContact O-N 2.89Å
215F98.4Very high97.7Very high0 Ų033.6 Ų33.60%018%0.175CC..Hα-helixtrans-65.1-34.4-179.6-54.9-13.5000112.3L22 S46 Y211 L212 K217 A218 V237 Y239 Y249 L251L22-F215 HydrophobicContact CD1-CE1 4.25Å; L22-F215 HydrophobicContact CD2-CE1 4.03Å; S46-F215 WeakPolarHBondContact OG-CE1 3.3Å; S46-F215 VanDerWaalsContact OG-CZ 3.23Å; S46-F215 WeakPolarHBondContact OG-CZ 3.38Å; Y211-F215 VanDerWaalsContact O-CD1 3.25Å; Y211-F215 WeakPolarHBondContact O-CD1 3.34Å; Y211-F215 WeakPolarHBondContact O-CG 3.14Å; Y211-F215 PolarHBondContact O-N 3Å; L212-F215 HydrophobicContact CD2-CD2 3.9Å; L212-F215 HydrophobicContact CD2-CE2 4.07Å; L212-F215 PolarHBondContact O-N 2.82Å; F215-K217 PolarHBondContact O-N 3.39Å; F215-K217 VanDerWaalsContact O-N 3.07Å; F215-A218 VanDerWaalsContact O-CB 3.29Å; F215-A218 WeakPolarHBondContact O-CB 3.22Å; F215-A218 PolarHBondContact O-N 2.95Å; F215-V237 HydrophobicContact CD2-CB 4.12Å; F215-V237 HydrophobicContact CD2-CG2 3.84Å; F215-V237 HydrophobicContact CE2-CG2 4.28Å; F215-Y239 WeakPolarHBondContact O-CE2 3.17Å; F215-Y249 HydrophobicContact CB-CD2 3.79Å; F215-Y249 HydrophobicContact CB-CE2 4.05Å; F215-Y249 HydrophobicContact CB-CG 4.04Å; F215-Y249 AromaticContact CD1-CD1 3.27Å; F215-Y249 HydrophobicContact CD1-CD1 3.27Å; F215-Y249 HydrophobicContact CD1-CD2 4.05Å; F215-Y249 AromaticContact CD1-CE1 3.83Å; F215-Y249 HydrophobicContact CD1-CE1 3.83Å; F215-Y249 AromaticContact CD1-CG 3.39Å; F215-Y249 HydrophobicContact CD1-CG 3.39Å; F215-Y249 HydrophobicContact CD2-CD2 4.4Å; F215-Y249 HydrophobicContact CD2-CG 4.03Å; F215-Y249 AromaticContact CE1-CD1 3.59Å; F215-Y249 HydrophobicContact CE1-CD1 3.59Å; F215-Y249 HydrophobicContact CE1-CE1 4.44Å; F215-Y249 AromaticContact CE1-CG 3.81Å; F215-Y249 HydrophobicContact CE1-CG 3.81Å; F215-Y249 HydrophobicContact CE2-CG 4.37Å; F215-Y249 AromaticContact CG-CD1 3.94Å; F215-Y249 HydrophobicContact CG-CD1 3.94Å; F215-Y249 AromaticContact CG-CD2 3.84Å; F215-Y249 HydrophobicContact CG-CD2 3.84Å; F215-Y249 HydrophobicContact CG-CE2 4.44Å; F215-Y249 AromaticContact CG-CG 3.54Å; F215-Y249 HydrophobicContact CG-CG 3.54Å; F215-Y249 HydrophobicContact CZ-CD1 4.42Å; F215-Y249 HydrophobicContact CZ-CG 4.29Å; F215-L251 HydrophobicContact CE2-CB 3.82Å; F215-L251 HydrophobicContact CE2-CD2 4Å; F215-L251 HydrophobicContact CE2-CG 4.41Å; F215-L251 HydrophobicContact CZ-CB 4Å; F215-L251 HydrophobicContact CZ-CD1 4.38Å; F215-L251 HydrophobicContact CZ-CD2 4.36Å; F215-L251 HydrophobicContact CZ-CG 4.49Å
216T98.4Very high97.8Very high20 Ų2033.6 Ų33.612%0.12318%0.176CC..G310 helixtrans-66.7-10.2179.7630000113.5F144 A145 C148 L212 N213 F214 A218 T219F144-T216 HydrophobicContact CD1-CG2 3.77Å; F144-T216 HydrophobicContact CE1-CG2 3.76Å; A145-T216 HydrophobicContact CB-CG2 3.99Å; C148-T216 HydrophobicContact CB-CG2 4.17Å; L212-T216 WeakPolarHBondContact O-CG2 3.39Å; L212-T216 PolarHBondContact O-N 3.16Å; N213-T216 PolarHBondContact O-OG1 2.91Å; F214-T216 VanDerWaalsContact C-N 3.3Å; F214-T216 PolarHBondContact O-N 2.8Å; T216-A218 PolarHBondContact O-N 3.44Å; T216-T219 WeakPolarHBondContact O-CB 3.31Å; T216-T219 PolarHBondContact O-N 3.48Å; T216-T219 PolarHBondContact O-OG1 2.87Å
217K97.9Very high97.9Very high77 Ų7731.9 Ų31.934%0.33517%0.167SC..G310 helixtrans-64.7-18.1168.3-63.6176.8-177.7172.20113D21 F214 F215 T219 P220D21-K217 HydrophobicContact CB-CD 4.42Å; D21-K217 VanDerWaalsContact CB-NZ 3.3Å; D21-K217 WeakPolarHBondContact OD2-CD 3.47Å; D21-K217 WeakPolarHBondContact OD2-CE 3.36Å; D21-K217 IonicContact OD2-NZ 2.8Å; D21-K217 PolarHBondContact OD2-NZ 3.17Å; F214-K217 VanDerWaalsContact O-CB 3.31Å; F214-K217 WeakPolarHBondContact O-CB 3.49Å; F214-K217 WeakPolarHBondContact O-CG 3.49Å; F214-K217 PolarHBondContact O-N 2.89Å; F215-K217 PolarHBondContact O-N 3.39Å; F215-K217 VanDerWaalsContact O-N 3.07Å; K217-T219 VanDerWaalsContact C-N 3.28Å; K217-T219 PolarHBondContact O-N 2.91Å; K217-P220 WeakPolarHBondContact O-CD 3.39Å
218A98.2Very high97.9Very high0 Ų032.4 Ų32.40%017%0.171CC..G310 helixtrans-75.6-9.417100000114.1A18 F215 T216 P220 L221 Y239 Y249A18-A218 HydrophobicContact CB-CB 3.9Å; F215-A218 VanDerWaalsContact O-CB 3.29Å; F215-A218 WeakPolarHBondContact O-CB 3.22Å; F215-A218 PolarHBondContact O-N 2.95Å; T216-A218 PolarHBondContact O-N 3.44Å; A218-P220 VanDerWaalsContact C-N 3.29Å; A218-P220 VanDerWaalsContact O-N 3.11Å; A218-L221 HydrophobicContact CB-CD1 4.07Å; A218-L221 VanDerWaalsContact O-CB 3.22Å; A218-L221 WeakPolarHBondContact O-CB 3.35Å; A218-L221 PolarHBondContact O-N 2.88Å; A218-Y239 HydrophobicContact CB-CD1 3.96Å; A218-Y239 HydrophobicContact CB-CD2 3.5Å; A218-Y239 VanDerWaalsContact CB-CD2 3.5Å; A218-Y239 HydrophobicContact CB-CE1 4.22Å; A218-Y239 HydrophobicContact CB-CE2 3.78Å; A218-Y239 HydrophobicContact CB-CG 3.59Å; A218-Y249 HydrophobicContact CB-CE2 4Å
219T98.3Very high97.8Very high32 Ų3231.5 Ų31.520%0.19616%0.163CC..G310 helixtrans-47.9-39.8-179.4-62.50000114.4T216 K217 L221 S222T216-T219 WeakPolarHBondContact O-CB 3.31Å; T216-T219 PolarHBondContact O-N 3.48Å; T216-T219 PolarHBondContact O-OG1 2.87Å; K217-T219 VanDerWaalsContact C-N 3.28Å; K217-T219 PolarHBondContact O-N 2.91Å; T219-L221 PolarHBondContact O-N 3.22Å; T219-S222 PolarHBondContact O-N 3.42Å
220P97.3Very high97.6Very high75 Ų7531.9 Ų31.949%0.48717%0.166SC..G310 helixtrans-68-10.3177.3-22.135.9000115.9K14 K217 A218K14-P220 HydrophobicContact CD-CB 4.09Å; K14-P220 WeakPolarHBondContact CD-O 3.38Å; K14-P220 HydrophobicContact CG-CB 4.22Å; K14-P220 PolarHBondContact NZ-O 3.42Å; K217-P220 WeakPolarHBondContact O-CD 3.39Å; A218-P220 VanDerWaalsContact C-N 3.29Å; A218-P220 VanDerWaalsContact O-N 3.11Å
221L96.7Very high97.3Very high19 Ų1930.3 Ų30.310%0.09917%0.166CC..G310 helixtrans-83-30.5177.4-65.9166000112.3I11 K14 V15 A18 A218 T219 I241 I247I11-L221 HydrophobicContact CG2-CD2 4.36Å; K14-L221 HydrophobicContact CB-CD2 3.42Å; K14-L221 VanDerWaalsContact CB-CD2 3.42Å; K14-L221 HydrophobicContact CB-CG 3.97Å; K14-L221 HydrophobicContact CD-CD2 4.23Å; V15-L221 HydrophobicContact CG2-CD1 4.34Å; V15-L221 HydrophobicContact CG2-CD2 3.88Å; A18-L221 HydrophobicContact CB-CD1 4.19Å; A218-L221 HydrophobicContact CB-CD1 4.07Å; A218-L221 VanDerWaalsContact O-CB 3.22Å; A218-L221 WeakPolarHBondContact O-CB 3.35Å; A218-L221 PolarHBondContact O-N 2.88Å; T219-L221 PolarHBondContact O-N 3.22Å; L221-I241 HydrophobicContact CB-CG1 4.46Å; L221-I241 HydrophobicContact CD1-CG1 4.37Å; L221-I241 HydrophobicContact CD2-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG2 4.36Å; L221-I247 HydrophobicContact CD1-CD1 3.38Å; L221-I247 HydrophobicContact CD1-CG1 4.08Å
222S97.4Very high96.8Very high18 Ų1836.1 Ų36.113%0.12620%0.199CC..  trans-145.6137.1-173.2-149.40000111.6S141 T219 T224 K240S141-S222 VanDerWaalsContact CB-O 3.31Å; S141-S222 WeakPolarHBondContact CB-O 3.42Å; S141-S222 PolarHBondContact OG-O 2.91Å; T219-S222 PolarHBondContact O-N 3.42Å; S222-T224 VanDerWaalsContact CB-O 3.31Å; S222-T224 WeakPolarHBondContact CB-O 3.35Å; S222-T224 PolarHBondContact O-N 3.11Å; S222-T224 PolarHBondContact OG-O 2.86Å; S222-K240 WeakPolarHBondContact CB-O 3.44Å; S222-K240 PolarHBondContact OG-O 3.49Å
223K97Very high96.4Very high147 Ų14737.7 Ų37.764%0.63921%0.207SC*.SBendtrans-69.2-21.1174.7-62.8-171.51791790113.2P140 S141 D192P140-K223 WeakPolarHBondContact CA-O 3.35Å; S141-K223 PolarHBondContact N-O 2.87Å; S141-K223 PolarHBondContact OG-O 3.39Å; S141-K223 VanDerWaalsContact OG-O 3.05Å; D192-K223 HydrophobicContact CB-CB 4.15Å; D192-K223 HydrophobicContact CB-CD 4.07Å; D192-K223 WeakPolarHBondContact OD2-CD 3.48Å; D192-K223 IonicContact OD2-NZ 2.6Å; D192-K223 PolarHBondContact OD2-NZ 3.26Å
224T97.9Very high96.2Very high22 Ų2238.4 Ų38.414%0.13521%0.214CC..EExtended strand (participates in β ladder)trans-124.4150.7-179.7600000110.7M139 D192 S222M139-T224 CarbonylContact O-C 3.54Å; M139-T224 VanDerWaalsContact O-CA 3.23Å; M139-T224 WeakPolarHBondContact O-CA 3.49Å; D192-T224 HydrophobicContact CB-CG2 4.2Å; S222-T224 VanDerWaalsContact CB-O 3.31Å; S222-T224 WeakPolarHBondContact CB-O 3.35Å; S222-T224 PolarHBondContact O-N 3.11Å; S222-T224 PolarHBondContact OG-O 2.86Å
225V98.6Very high96.2Very high0 Ų036.1 Ų36.10%020%0.204CC..EExtended strand (participates in β ladder)trans-118.9146.4170640000109.1K138 M139 F144 L227 V237 Y239K138-V225 WeakPolarHBondContact CA-O 3.33Å; M139-V225 HydrophobicContact CG-CG1 3.71Å; M139-V225 PolarHBondContact N-O 3.42Å; M139-V225 PolarHBondContact O-N 2.81Å; F144-V225 HydrophobicContact CB-CG1 3.63Å; F144-V225 HydrophobicContact CD1-CG1 4.01Å; F144-V225 HydrophobicContact CD1-CG2 4.32Å; F144-V225 HydrophobicContact CG-CG1 3.89Å; V225-L227 HydrophobicContact CG2-CD2 4.25Å; V225-V237 HydrophobicContact CG2-CG1 3.51Å; V225-Y239 HydrophobicContact CB-CD1 4.26Å; V225-Y239 HydrophobicContact CB-CE1 3.78Å; V225-Y239 HydrophobicContact CG2-CD1 4.3Å; V225-Y239 HydrophobicContact CG2-CD2 4.21Å; V225-Y239 HydrophobicContact CG2-CE1 3.82Å; V225-Y239 HydrophobicContact CG2-CE2 3.72Å; V225-Y239 HydrophobicContact CG2-CG 4.48Å; V225-Y239 VanDerWaalsContact CG2-CZ 3.5Å
226T98.6Very high96.2Very high24 Ų2436.2 Ų36.215%0.14721%0.205CC..EExtended strand (participates in β ladder)trans-115.9127.2174.2-51.40000109.9V136 V137 V237 E238V136-T226 HydrophobicContact CG1-CG2 3.54Å; V137-T226 CarbonylContact O-C 3.59Å; V137-T226 WeakPolarHBondContact O-CA 3.35Å; T226-V237 WeakPolarHBondContact O-CA 3.47Å; T226-E238 PolarHBondContact N-O 3.17Å; T226-E238 PolarHBondContact O-N 3.45Å
227L98.3Very high96.2Very high0 Ų035.3 Ų35.30%020%0.199CC..EExtended strand (participates in β ladder)trans-107.2120.7175.5-53.3-177.5000108.4V136 V137 M139 F144 F169 V225 L235 V236 V237V136-L227 CarbonylContact C-O 3.57Å; V136-L227 WeakPolarHBondContact CA-O 3.26Å; V137-L227 HydrophobicContact CB-CB 4.41Å; V137-L227 PolarHBondContact N-O 3.03Å; V137-L227 PolarHBondContact O-N 3.44Å; M139-L227 HydrophobicContact CE-CD1 3.91Å; F144-L227 HydrophobicContact CD2-CD1 4.13Å; F144-L227 HydrophobicContact CE1-CD2 4.39Å; F144-L227 HydrophobicContact CE2-CD1 3.81Å; F144-L227 HydrophobicContact CE2-CD2 4.04Å; F144-L227 HydrophobicContact CZ-CD2 3.93Å; F169-L227 HydrophobicContact CE1-CD1 4.27Å; F169-L227 HydrophobicContact CZ-CD1 4.13Å; V225-L227 HydrophobicContact CG2-CD2 4.25Å; L227-L235 HydrophobicContact CB-CD1 4.11Å; L227-L235 HydrophobicContact CD2-CD1 4.47Å; L227-V236 CarbonylContact C-O 3.58Å; L227-V236 WeakPolarHBondContact CA-O 3.24Å; L227-V237 HydrophobicContact CD2-CB 4.16Å; L227-V237 HydrophobicContact CD2-CG1 3.82Å; L227-V237 HydrophobicContact CD2-CG2 3.73Å
228S97.8Very high96.2Very high11 Ų1133.1 Ų33.18%0.07719%0.19CC..EExtended strand (participates in β ladder)trans-115.8124.5177.1-41.50000109.3Y133 V236Y133-S228 VanDerWaalsContact CD1-CB 3.49Å; Y133-S228 VanDerWaalsContact CG-CB 3.42Å; S228-V236 PolarHBondContact N-O 3.09Å; S228-V236 PolarHBondContact O-N 3.31Å
229M95.9Very high96.3Very high0 Ų033.1 Ų33.10%019%0.19CC..EExtended strand (participates in β ladder)trans-137136.9-168.4-60.9174.3-68.900111S134 C135 V137 I160 C162 V203 L235S134-M229 PolarHBondContact N-O 2.95Å; S134-M229 VanDerWaalsContact N-O 3.13Å; C135-M229 HydrophobicContact CB-CE 4.43Å; C135-M229 PolarHBondContact N-O 3.35Å; C135-M229 PolarHBondContact O-N 3.47Å; V137-M229 HydrophobicContact CG2-CE 4.02Å; I160-M229 HydrophobicContact CB-SD 4.28Å; I160-M229 HydrophobicContact CG2-CE 4.21Å; I160-M229 HydrophobicContact CG2-SD 3.7Å; C162-M229 HydrophobicContact CB-CE 4.05Å; V203-M229 HydrophobicContact CG1-CB 4.05Å; M229-L235 HydrophobicContact CG-CD1 3.44Å; M229-L235 VanDerWaalsContact CG-CD1 3.44Å; M229-L235 HydrophobicContact SD-CD1 4.16Å
230S94.6Very high96.2Very high10 Ų1037.3 Ų37.37%0.0721%0.205CC..  trans-144.4163.1161-47.60000109Y133 S134 L205Y133-S230 VanDerWaalsContact CA-OG 3.27Å; Y133-S230 WeakPolarHBondContact CA-OG 3.47Å; S134-S230 PolarHBondContact N-OG 3.47Å; S134-S230 WeakPolarHBondContact OG-CB 3.21Å; S134-S230 PolarHBondContact OG-OG 3.5Å; L205-S230 WeakPolarHBondContact CD1-O 3.3Å
231A90.4Very high96.2Very high60 Ų6033.8 Ų33.850%0.49618%0.183SC..THydrogen-bonded Turntrans-57.7149.5168.800000110.9I233A231-I233 PolarHBondContact O-N 3.08Å
232D85.9Confident95.8Very high159 Ų15936 Ų3685%0.8520%0.204SC*.THydrogen-bonded Turntrans63.86171.7-50-42.7000117.3
233I91.1Very high95.4Very high32 Ų3241.8 Ų41.816%0.16423%0.233CC..SBendtrans-127156.7174.257.6163.5000111.7Q131 Y133 A231Q131-I233 HydrophobicContact CG-CD1 4.4Å; Y133-I233 HydrophobicContact CD1-CD1 3.79Å; Y133-I233 HydrophobicContact CE1-CD1 3.67Å; A231-I233 PolarHBondContact O-N 3.08Å
234P94.6Very high95.2Very high52 Ų5235.1 Ų35.134%0.33820%0.204SC..PPolyproline II helixtrans-59.4144.3175.6-24.835.3000112.9V236 L251P234-V236 PolarHBondContact O-N 3.22Å; P234-L251 CarbonylContact C-O 3.57Å; P234-L251 VanDerWaalsContact CA-O 3.3Å; P234-L251 WeakPolarHBondContact CA-O 3.45Å
235L97.3Very high95.2Very high0 Ų034.3 Ų34.30%020%0.2CC..EExtended strand (participates in β ladder)trans-62.8132.8165.4162.769.6000109.1I160 F207 L212 L227 M229 V237 Y250 L251I160-L235 HydrophobicContact CD1-CD2 4.31Å; F207-L235 HydrophobicContact CD1-CB 4.18Å; F207-L235 HydrophobicContact CD1-CD2 4.3Å; F207-L235 HydrophobicContact CD2-CD2 4.05Å; F207-L235 HydrophobicContact CE1-CB 3.44Å; F207-L235 VanDerWaalsContact CE1-CB 3.44Å; F207-L235 HydrophobicContact CE1-CD2 4.27Å; F207-L235 HydrophobicContact CE1-CG 4.49Å; F207-L235 HydrophobicContact CE2-CB 4.1Å; F207-L235 HydrophobicContact CE2-CD2 4Å; F207-L235 HydrophobicContact CG-CD2 4.2Å; F207-L235 HydrophobicContact CZ-CB 3.4Å; F207-L235 VanDerWaalsContact CZ-CB 3.4Å; F207-L235 HydrophobicContact CZ-CD2 4.13Å; F207-L235 HydrophobicContact CZ-CG 4.3Å; L212-L235 HydrophobicContact CD2-CD2 3.91Å; L227-L235 HydrophobicContact CB-CD1 4.11Å; L227-L235 HydrophobicContact CD2-CD1 4.47Å; M229-L235 HydrophobicContact CG-CD1 3.44Å; M229-L235 VanDerWaalsContact CG-CD1 3.44Å; M229-L235 HydrophobicContact SD-CD1 4.16Å; L235-V237 HydrophobicContact CD1-CG2 4.32Å; L235-V237 HydrophobicContact CD2-CG2 3.81Å; L235-V237 HydrophobicContact CG-CG2 3.83Å; L235-Y250 CarbonylContact O-C 3.57Å; L235-Y250 VanDerWaalsContact O-CA 3.28Å; L235-Y250 WeakPolarHBondContact O-CA 3.13Å; L235-L251 PolarHBondContact N-O 2.69Å; L235-L251 PolarHBondContact O-N 2.75Å
236V98.2Very high95.1Very high3 Ų335.9 Ų35.92%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-103.1121.8170.3-174.10000110.3Y133 L227 S228 P234 K248 Y249 Y250Y133-V236 HydrophobicContact CE1-CG2 3.89Å; Y133-V236 VanDerWaalsContact OH-CG2 3.25Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.42Å; L227-V236 CarbonylContact C-O 3.58Å; L227-V236 WeakPolarHBondContact CA-O 3.24Å; S228-V236 PolarHBondContact N-O 3.09Å; S228-V236 PolarHBondContact O-N 3.31Å; P234-V236 PolarHBondContact O-N 3.22Å; V236-K248 HydrophobicContact CG1-CB 4.33Å; V236-K248 HydrophobicContact CG1-CD 4.42Å; V236-K248 HydrophobicContact CG1-CG 4.24Å; V236-Y249 CarbonylContact C-O 3.58Å; V236-Y249 VanDerWaalsContact CA-O 3.31Å; V236-Y249 WeakPolarHBondContact CA-O 3.46Å; V236-Y250 HydrophobicContact CB-CE1 4.49Å; V236-Y250 HydrophobicContact CG1-CE1 4.19Å; V236-Y250 HydrophobicContact CG2-CD1 3.54Å; V236-Y250 HydrophobicContact CG2-CE1 3.53Å
237V98.6Very high95.1Very high0 Ų034.8 Ų34.80%020%0.2CC..EExtended strand (participates in β ladder)trans-109.4110.3173.1-173.30000108.7F144 L212 F215 V225 T226 L227 L235 Y239 K248 Y249F144-V237 HydrophobicContact CE1-CG1 4.16Å; L212-V237 HydrophobicContact CD2-CG2 4.45Å; F215-V237 HydrophobicContact CD2-CB 4.12Å; F215-V237 HydrophobicContact CD2-CG2 3.84Å; F215-V237 HydrophobicContact CE2-CG2 4.28Å; V225-V237 HydrophobicContact CG2-CG1 3.51Å; T226-V237 WeakPolarHBondContact O-CA 3.47Å; L227-V237 HydrophobicContact CD2-CB 4.16Å; L227-V237 HydrophobicContact CD2-CG1 3.82Å; L227-V237 HydrophobicContact CD2-CG2 3.73Å; L235-V237 HydrophobicContact CD1-CG2 4.32Å; L235-V237 HydrophobicContact CD2-CG2 3.81Å; L235-V237 HydrophobicContact CG-CG2 3.83Å; V237-Y239 HydrophobicContact CG1-CD2 4.3Å; V237-Y239 HydrophobicContact CG1-CE2 3.6Å; V237-K248 WeakPolarHBondContact O-CA 3.46Å; V237-Y249 HydrophobicContact CB-CD2 4.46Å; V237-Y249 PolarHBondContact N-O 2.84Å; V237-Y249 PolarHBondContact O-N 3.29Å
238E98.6Very high95.1Very high32 Ų3237.1 Ų37.115%0.1521%0.211CC..EExtended strand (participates in β ladder)trans-108.7130.5-177.1-175.8-176.7148.900112.1T226 H246 I247 K248T226-E238 PolarHBondContact N-O 3.17Å; T226-E238 PolarHBondContact O-N 3.45Å; E238-H246 HydrophobicContact CG-CB 4.23Å; E238-I247 WeakPolarHBondContact CA-O 3.44Å; E238-K248 HydrophobicContact CB-CG 4.04Å; E238-K248 HydrophobicContact CG-CG 3.89Å; E238-K248 WeakPolarHBondContact OE2-CE 3.49Å; E238-K248 IonicContact OE2-NZ 3.39Å
239Y98.6Very high95.1Very high0 Ų036.6 Ų36.60%021%0.207CC..EExtended strand (participates in β ladder)trans-117.2118166.6-65.7-96.3000109.3F215 A218 V225 V237 H246 I247 Y249F215-Y239 WeakPolarHBondContact O-CE2 3.17Å; A218-Y239 HydrophobicContact CB-CD1 3.96Å; A218-Y239 HydrophobicContact CB-CD2 3.5Å; A218-Y239 VanDerWaalsContact CB-CD2 3.5Å; A218-Y239 HydrophobicContact CB-CE1 4.22Å; A218-Y239 HydrophobicContact CB-CE2 3.78Å; A218-Y239 HydrophobicContact CB-CG 3.59Å; V225-Y239 HydrophobicContact CB-CD1 4.26Å; V225-Y239 HydrophobicContact CB-CE1 3.78Å; V225-Y239 HydrophobicContact CG2-CD1 4.3Å; V225-Y239 HydrophobicContact CG2-CD2 4.21Å; V225-Y239 HydrophobicContact CG2-CE1 3.82Å; V225-Y239 HydrophobicContact CG2-CE2 3.72Å; V225-Y239 HydrophobicContact CG2-CG 4.48Å; V225-Y239 VanDerWaalsContact CG2-CZ 3.5Å; V237-Y239 HydrophobicContact CG1-CD2 4.3Å; V237-Y239 HydrophobicContact CG1-CE2 3.6Å; Y239-H246 CarbonylContact O-C 3.55Å; Y239-H246 VanDerWaalsContact O-CA 3.27Å; Y239-H246 WeakPolarHBondContact O-CA 3.45Å; Y239-I247 PolarHBondContact N-O 3.11Å; Y239-I247 PolarHBondContact O-N 3.19Å; Y239-Y249 HydrophobicContact CD2-CD2 4.32Å; Y239-Y249 AromaticContact CD2-CE2 3.97Å; Y239-Y249 HydrophobicContact CD2-CE2 3.97Å; Y239-Y249 HydrophobicContact CE2-CD2 4.4Å; Y239-Y249 HydrophobicContact CE2-CE2 4.16Å
240K97.6Very high95.2Very high119 Ų11937.7 Ų37.752%0.51721%0.211SC..EExtended strand (participates in β ladder)trans-73.4134.7172.8-67.2-172178.4-174.50110.4S222S222-K240 WeakPolarHBondContact CB-O 3.44Å; S222-K240 PolarHBondContact OG-O 3.49Å
241I96.2Very high95.3Very high2 Ų237.2 Ų37.21%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-98.890.4173.5-53.4171000106.6I11 V15 L50 L52 L221 D243 M244 G245 I247I11-I241 HydrophobicContact CG2-CG2 3.47Å; I11-I241 VanDerWaalsContact CG2-CG2 3.47Å; V15-I241 HydrophobicContact CG2-CD1 3.77Å; L50-I241 HydrophobicContact CD1-CD1 3.72Å; L52-I241 HydrophobicContact CD2-CD1 3.53Å; L221-I241 HydrophobicContact CB-CG1 4.46Å; L221-I241 HydrophobicContact CD1-CG1 4.37Å; L221-I241 HydrophobicContact CD2-CG1 4.36Å; L221-I241 HydrophobicContact CD2-CG2 4.36Å; I241-D243 PolarHBondContact O-N 3.01Å; I241-M244 HydrophobicContact CB-CG 3.95Å; I241-M244 HydrophobicContact CG2-CG 3.51Å; I241-M244 HydrophobicContact CG2-SD 3.58Å; I241-M244 VanDerWaalsContact CG2-SD 3.58Å; I241-M244 WeakPolarHBondContact O-CG 3.36Å; I241-M244 PolarHBondContact O-N 2.84Å; I241-G245 PolarHBondContact N-O 3.42Å; I241-G245 PolarHBondContact O-N 2.96Å; I241-I247 HydrophobicContact CD1-CD1 4.36Å; I241-I247 HydrophobicContact CD1-CG1 3.76Å; I241-I247 HydrophobicContact CG1-CG1 4.26Å
242A88.7Confident95.6Very high65 Ų6536.4 Ų36.454%0.53720%0.201SC..THydrogen-bonded Turntrans41.3-131-174.400000111.2
243D88.4Confident96Very high140 Ų14030.6 Ų30.675%0.74917%0.172SC*.THydrogen-bonded Turntrans-102.820.1172.2-57.9-43.2000112.2R53 I241R53-D243 VanDerWaalsContact NH2-C 3.27Å; R53-D243 PolarHBondContact NH2-O 2.77Å; I241-D243 PolarHBondContact O-N 3.01Å
244M93.9Very high96.1Very high7 Ų733.9 Ų33.93%0.03419%0.185CC..THydrogen-bonded Turntrans-100.2-20.3177.968.8177.2-48.900113L6 I11 L52 R53 F57 I241L6-M244 HydrophobicContact CD1-CE 3.88Å; L6-M244 HydrophobicContact CD1-SD 4.38Å; I11-M244 HydrophobicContact CD1-SD 3.96Å; I11-M244 HydrophobicContact CG2-SD 3.69Å; L52-M244 HydrophobicContact CB-CE 4.12Å; L52-M244 HydrophobicContact CD1-CE 4.37Å; L52-M244 HydrophobicContact CD2-CE 3.76Å; L52-M244 HydrophobicContact CD2-CG 4.3Å; L52-M244 HydrophobicContact CD2-SD 4.13Å; L52-M244 HydrophobicContact CG-CE 4.3Å; R53-M244 WeakPolarHBondContact CB-O 3.42Å; R53-M244 PolarHBondContact N-O 2.84Å; F57-M244 HydrophobicContact CE1-CE 4.45Å; F57-M244 HydrophobicContact CE2-CE 4.29Å; F57-M244 HydrophobicContact CZ-CE 4.11Å; I241-M244 HydrophobicContact CB-CG 3.95Å; I241-M244 HydrophobicContact CG2-CG 3.51Å; I241-M244 HydrophobicContact CG2-SD 3.58Å; I241-M244 VanDerWaalsContact CG2-SD 3.58Å; I241-M244 WeakPolarHBondContact O-CG 3.36Å; I241-M244 PolarHBondContact O-N 2.84Å
245G96.7Very high95.5Very high4 Ų438.8 Ų38.84%0.04121%0.207CC..EExtended strand (participates in β ladder)trans163.4-151.8-175.100000114.9T51 I241T51-G245 CarbonylContact O-C 3.59Å; T51-G245 WeakPolarHBondContact O-CA 3.42Å; I241-G245 PolarHBondContact N-O 3.42Å; I241-G245 PolarHBondContact O-N 2.96Å
246H97.9Very high94.1Very high34 Ų3442.7 Ų42.716%0.15723%0.228CC..EExtended strand (participates in β ladder)trans-158159.6-178.558.1-100.9000112.4T51 E238 Y239T51-H246 PolarHBondContact N-O 2.64Å; T51-H246 PolarHBondContact O-N 3.08Å; E238-H246 HydrophobicContact CG-CB 4.23Å; Y239-H246 CarbonylContact O-C 3.55Å; Y239-H246 VanDerWaalsContact O-CA 3.27Å; Y239-H246 WeakPolarHBondContact O-CA 3.45Å
247I98.2Very high91.9Very high0 Ų050.8 Ų50.80%027%0.265CS..EExtended strand (participates in β ladder)trans-111.2128.8159.9-47.8-167.7000107.7V15 A18 L19 V48 Q49 L50 L221 E238 Y239 I241 Y249V15-I247 HydrophobicContact CG1-CD1 4.29Å; V15-I247 HydrophobicContact CG2-CD1 4.39Å; A18-I247 HydrophobicContact CB-CD1 4.06Å; L19-I247 HydrophobicContact CD2-CG2 4.43Å; V48-I247 HydrophobicContact CG2-CG2 3.76Å; Q49-I247 CarbonylContact O-C 3.6Å; Q49-I247 WeakPolarHBondContact O-CA 3.34Å; L50-I247 HydrophobicContact CD1-CD1 4.19Å; L50-I247 HydrophobicContact CD1-CG1 3.76Å; L221-I247 HydrophobicContact CD1-CD1 3.38Å; L221-I247 HydrophobicContact CD1-CG1 4.08Å; E238-I247 WeakPolarHBondContact CA-O 3.44Å; Y239-I247 PolarHBondContact N-O 3.11Å; Y239-I247 PolarHBondContact O-N 3.19Å; I241-I247 HydrophobicContact CD1-CD1 4.36Å; I241-I247 HydrophobicContact CD1-CG1 3.76Å; I241-I247 HydrophobicContact CG1-CG1 4.26Å; I247-Y249 HydrophobicContact CB-CE2 4.3Å; I247-Y249 HydrophobicContact CG2-CD2 4.23Å; I247-Y249 HydrophobicContact CG2-CE1 4.04Å; I247-Y249 HydrophobicContact CG2-CE2 3.62Å
248K98.1Very high89.3Confident50 Ų5059.6 Ų59.622%0.21731%0.307CS..EExtended strand (participates in β ladder)trans-116.1129171.4-75173.9-179.1-175.40109.2V48 Q49 V236 V237 E238 Y250V48-K248 WeakPolarHBondContact CA-O 3.22Å; Q49-K248 HydrophobicContact CB-CB 4.4Å; Q49-K248 PolarHBondContact N-O 2.95Å; Q49-K248 PolarHBondContact O-N 3.2Å; V236-K248 HydrophobicContact CG1-CB 4.33Å; V236-K248 HydrophobicContact CG1-CD 4.42Å; V236-K248 HydrophobicContact CG1-CG 4.24Å; V237-K248 WeakPolarHBondContact O-CA 3.46Å; E238-K248 HydrophobicContact CB-CG 4.04Å; E238-K248 HydrophobicContact CG-CG 3.89Å; E238-K248 WeakPolarHBondContact OE2-CE 3.49Å; E238-K248 IonicContact OE2-NZ 3.39Å; K248-Y250 HydrophobicContact CB-CE2 3.77Å
249Y98.3Very high86.6Confident0 Ų062.3 Ų62.30%033%0.334CS..EExtended strand (participates in β ladder)trans-108.3134.6170.2-54.6-86.4000109A18 L22 L47 V48 F215 A218 V236 V237 Y239 I247A18-Y249 WeakPolarHBondContact CB-OH 3.34Å; A18-Y249 PolarHBondContact O-OH 3.33Å; L22-Y249 HydrophobicContact CD2-CD1 3.85Å; L22-Y249 HydrophobicContact CD2-CE1 4.01Å; L47-Y249 CarbonylContact O-C 3.58Å; L47-Y249 WeakPolarHBondContact O-CA 3.24Å; V48-Y249 HydrophobicContact CB-CD1 3.98Å; V48-Y249 HydrophobicContact CB-CE1 4.22Å; V48-Y249 HydrophobicContact CG2-CD1 3.66Å; V48-Y249 HydrophobicContact CG2-CE1 3.56Å; F215-Y249 HydrophobicContact CB-CD2 3.79Å; F215-Y249 HydrophobicContact CB-CE2 4.05Å; F215-Y249 HydrophobicContact CB-CG 4.04Å; F215-Y249 AromaticContact CD1-CD1 3.27Å; F215-Y249 HydrophobicContact CD1-CD1 3.27Å; F215-Y249 HydrophobicContact CD1-CD2 4.05Å; F215-Y249 AromaticContact CD1-CE1 3.83Å; F215-Y249 HydrophobicContact CD1-CE1 3.83Å; F215-Y249 AromaticContact CD1-CG 3.39Å; F215-Y249 HydrophobicContact CD1-CG 3.39Å; F215-Y249 HydrophobicContact CD2-CD2 4.4Å; F215-Y249 HydrophobicContact CD2-CG 4.03Å; F215-Y249 AromaticContact CE1-CD1 3.59Å; F215-Y249 HydrophobicContact CE1-CD1 3.59Å; F215-Y249 HydrophobicContact CE1-CE1 4.44Å; F215-Y249 AromaticContact CE1-CG 3.81Å; F215-Y249 HydrophobicContact CE1-CG 3.81Å; F215-Y249 HydrophobicContact CE2-CG 4.37Å; F215-Y249 AromaticContact CG-CD1 3.94Å; F215-Y249 HydrophobicContact CG-CD1 3.94Å; F215-Y249 AromaticContact CG-CD2 3.84Å; F215-Y249 HydrophobicContact CG-CD2 3.84Å; F215-Y249 HydrophobicContact CG-CE2 4.44Å; F215-Y249 AromaticContact CG-CG 3.54Å; F215-Y249 HydrophobicContact CG-CG 3.54Å; F215-Y249 HydrophobicContact CZ-CD1 4.42Å; F215-Y249 HydrophobicContact CZ-CG 4.29Å; A218-Y249 HydrophobicContact CB-CE2 4Å; V236-Y249 CarbonylContact C-O 3.58Å; V236-Y249 VanDerWaalsContact CA-O 3.31Å; V236-Y249 WeakPolarHBondContact CA-O 3.46Å; V237-Y249 HydrophobicContact CB-CD2 4.46Å; V237-Y249 PolarHBondContact N-O 2.84Å; V237-Y249 PolarHBondContact O-N 3.29Å; Y239-Y249 HydrophobicContact CD2-CD2 4.32Å; Y239-Y249 AromaticContact CD2-CE2 3.97Å; Y239-Y249 HydrophobicContact CD2-CE2 3.97Å; Y239-Y249 HydrophobicContact CE2-CD2 4.4Å; Y239-Y249 HydrophobicContact CE2-CE2 4.16Å; I247-Y249 HydrophobicContact CB-CE2 4.3Å; I247-Y249 HydrophobicContact CG2-CD2 4.23Å; I247-Y249 HydrophobicContact CG2-CE1 4.04Å; I247-Y249 HydrophobicContact CG2-CE2 3.62Å
250Y97.5Very high83.4Confident23 Ų2370.2 Ų70.29%0.0939%0.39CS..EExtended strand (participates in β ladder)trans-111.2131.3175.4-56.9-101.4000107S46 L47 Q49 I128 L235 V236 K248S46-Y250 WeakPolarHBondContact CA-O 3.43Å; S46-Y250 WeakPolarHBondContact CB-O 3.36Å; S46-Y250 PolarHBondContact OG-O 2.8Å; L47-Y250 HydrophobicContact CB-CD2 4.37Å; L47-Y250 HydrophobicContact CD2-CD2 3.35Å; L47-Y250 HydrophobicContact CD2-CE2 3.71Å; L47-Y250 HydrophobicContact CD2-CG 4.2Å; L47-Y250 HydrophobicContact CG-CD2 4.45Å; L47-Y250 PolarHBondContact N-O 2.61Å; L47-Y250 PolarHBondContact O-N 3Å; Q49-Y250 HydrophobicContact CB-CE2 4.01Å; Q49-Y250 PolarHBondContact OE1-OH 2.86Å; I128-Y250 HydrophobicContact CD1-CD2 4.49Å; I128-Y250 HydrophobicContact CD1-CE1 4.31Å; I128-Y250 HydrophobicContact CD1-CE2 3.73Å; I128-Y250 HydrophobicContact CG2-CE1 3.93Å; L235-Y250 CarbonylContact O-C 3.57Å; L235-Y250 VanDerWaalsContact O-CA 3.28Å; L235-Y250 WeakPolarHBondContact O-CA 3.13Å; V236-Y250 HydrophobicContact CB-CE1 4.49Å; V236-Y250 HydrophobicContact CG1-CE1 4.19Å; V236-Y250 HydrophobicContact CG2-CD1 3.54Å; V236-Y250 HydrophobicContact CG2-CE1 3.53Å; K248-Y250 HydrophobicContact CB-CE2 3.77Å
251L97.4Very high82.7Confident0 Ų067.8 Ų67.80%038%0.383CS..EExtended strand (participates in β ladder)trans-135120.8-178.9-177.462.3000110.4V45 F207 Y211 L212 F215 P234 L235V45-L251 HydrophobicContact CG1-CD1 4.01Å; F207-L251 HydrophobicContact CB-CD2 3.93Å; F207-L251 HydrophobicContact CD1-CD2 4.02Å; F207-L251 HydrophobicContact CD1-CG 4.06Å; F207-L251 HydrophobicContact CG-CD2 4.29Å; Y211-L251 HydrophobicContact CD1-CD1 4.16Å; Y211-L251 HydrophobicContact CD2-CD1 4.04Å; Y211-L251 HydrophobicContact CG-CD1 3.69Å; L212-L251 HydrophobicContact CD2-CD2 3.72Å; L212-L251 HydrophobicContact CG-CD2 4.12Å; F215-L251 HydrophobicContact CE2-CB 3.82Å; F215-L251 HydrophobicContact CE2-CD2 4Å; F215-L251 HydrophobicContact CE2-CG 4.41Å; F215-L251 HydrophobicContact CZ-CB 4Å; F215-L251 HydrophobicContact CZ-CD1 4.38Å; F215-L251 HydrophobicContact CZ-CD2 4.36Å; F215-L251 HydrophobicContact CZ-CG 4.49Å; P234-L251 CarbonylContact C-O 3.57Å; P234-L251 VanDerWaalsContact CA-O 3.3Å; P234-L251 WeakPolarHBondContact CA-O 3.45Å; L235-L251 PolarHBondContact N-O 2.69Å; L235-L251 PolarHBondContact O-N 2.75Å
252A95.6Very high82Confident42 Ų4271.2 Ų71.235%0.34740%0.403SS..PPolyproline II helixtrans-63.7137.4175.100000110.5V45V45-A252 HydrophobicContact CG1-CB 4.39Å; V45-A252 PolarHBondContact O-N 3.12Å
253P95.4Very high81.6Confident37 Ų3771.6 Ų71.624%0.2440%0.395CS..PPolyproline II helixtrans-67151.1172.229.7-33.9000110.4L205 I206 F207L205-P253 HydrophobicContact CB-CB 4.42Å; L205-P253 HydrophobicContact CD2-CB 4.22Å; I206-P253 CarbonylContact O-C 3.49Å; I206-P253 WeakPolarHBondContact O-CA 3.12Å; F207-P253 HydrophobicContact CD1-CB 4.36Å; F207-P253 HydrophobicContact CE1-CB 3.78Å; F207-P253 HydrophobicContact CZ-CB 4.26Å
254K92.3Very high81.2Confident101 Ų10167.5 Ų67.544%0.43938%0.375SS..BIsolated β-bridgetrans-69.4131.1164.3-67.2-166.4175.4-169.70108.3A157 I206A157-K254 HydrophobicContact CB-CD 4.21Å; I206-K254 HydrophobicContact CB-CB 4.29Å; I206-K254 HydrophobicContact CG2-CB 4.13Å; I206-K254 HydrophobicContact CG2-CD 4.26Å; I206-K254 HydrophobicContact CG2-CG 4.47Å; I206-K254 PolarHBondContact O-N 2.94Å
255I82.9Confident80.4Confident155 Ų15571.3 Ų71.380%0.79540%0.396SS*.PPolyproline II helixtrans-75.6127.3169.7-56.3173.7000106.7E257I255-E257 PolarHBondContact O-N 3.15Å
256D66.9Low79.4Confident83 Ų8375.8 Ų75.844%0.44442%0.419SS..  trans-78.8104.7174.4-155.8-8.5000108.1E258 A259D256-E258 PolarHBondContact O-N 3.14Å; D256-E258 VanDerWaalsContact O-N 3.16Å; D256-A259 PolarHBondContact O-N 2.93Å
257E51.8Low78Confident172 Ų17278.8 Ų78.880%0.80444%0.438SS*.G310 helixtrans-64.4-13.9-179.3-70-174.1168.400112.4I255 A259 S260I255-E257 PolarHBondContact O-N 3.15Å; E257-A259 VanDerWaalsContact C-N 3.33Å; E257-S260 PolarHBondContact O-OG 2.7Å
258E45.1Very low76.5Confident186 Ų18684.8 Ų84.887%0.86947%0.472SS*.G310 helixtrans-83.5-3.9177-65.5-170.2166.500114.1D256D256-E258 PolarHBondContact O-N 3.14Å; D256-E258 VanDerWaalsContact O-N 3.16Å
259A40.4Very low74.7Confident88 Ų8887.8 Ų87.873%0.72749%0.493SS*.G310 helixtrans-102.36.7179.500000114.5D256 E257D256-A259 PolarHBondContact O-N 2.93Å; E257-A259 VanDerWaalsContact C-N 3.33Å
260S32.6Very low72.5Confident166 Ų16695.7 Ų95.7100%1.16154%0.538SS*.  trans-108.7017756.30000113.8E257E257-S260 PolarHBondContact O-OG 2.7Å

Retrieved 260 of 260 residues in 390 ms (Link to these results)

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