A0A087XFG2_POEFO Loading...

Phagosome assembly factor 1

AlphaFold DB , UniProt , Accession A0A087XFG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 416 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
1M89.3Confident96.6Very high103 Ų10347.4 Ų47.451%0.50723%0.228SC..  0126.10-173.4144.8103.900107.7K86 V87 K88 Q99M1-K86 VanDerWaalsContact CG-O 3.23Å; M1-K86 WeakPolarHBondContact CG-O 3.4Å; M1-V87 PolarHBondContact SD-N 2.98Å; M1-V87 VanDerWaalsContact SD-N 3.38Å; M1-K88 HydrophobicContact CE-CB 4.32Å; M1-K88 HydrophobicContact CE-CD 4.22Å; M1-K88 HydrophobicContact CE-CG 3.22Å; M1-K88 HydrophobicContact CG-CG 4.19Å; M1-Q99 HydrophobicContact CE-CG 4Å
2L96.4Very high96.8Very high10 Ų1043.4 Ų43.45%0.05221%0.209CC..EExtended strand (participates in β ladder)trans-63.7148.3175.9-60.7178000110.3L4 W17 I38 I39 D63 I65 V87 K88L2-L4 HydrophobicContact CB-CD1 4.05Å; L2-L4 HydrophobicContact CB-CD2 4.06Å; L2-L4 HydrophobicContact CB-CG 3.9Å; L2-L4 HydrophobicContact CD1-CD1 4.21Å; L2-W17 HydrophobicContact CD1-CH2 4.1Å; L2-W17 HydrophobicContact CD1-CZ2 4.21Å; L2-W17 HydrophobicContact CD2-CZ2 4.2Å; L2-I38 HydrophobicContact CD2-CG2 3.61Å; L2-I39 HydrophobicContact CD1-CG1 4.27Å; L2-I39 HydrophobicContact CD2-CG1 4.31Å; L2-D63 HydrophobicContact CD1-CB 3.85Å; L2-D63 VanDerWaalsContact CD1-CG 3.44Å; L2-D63 WeakPolarHBondContact CD1-OD1 3.41Å; L2-D63 WeakPolarHBondContact CG-OD1 3.39Å; L2-I65 HydrophobicContact CD1-CD1 4.5Å; L2-V87 HydrophobicContact CB-CG2 4.29Å; L2-K88 PolarHBondContact O-N 2.72Å
3D97.7Very high96.9Very high59 Ų5940.3 Ų40.332%0.31620%0.195SC..EExtended strand (participates in β ladder)trans-120.6107.3173.9-170.926.7000108K88 K90 H95D3-K88 HydrophobicContact CB-CB 4.27Å; D3-K88 WeakPolarHBondContact OD1-CB 3.45Å; D3-K90 VanDerWaalsContact OD1-CE 3.23Å; D3-K90 WeakPolarHBondContact OD1-CE 3.19Å; D3-K90 IonicContact OD1-NZ 2.98Å; D3-K90 VanDerWaalsContact OD2-CE 3.23Å; D3-K90 WeakPolarHBondContact OD2-CE 3.31Å; D3-K90 IonicContact OD2-NZ 3.59Å; D3-K90 PolarHBondContact OD2-NZ 3.11Å; D3-H95 IonicContact OD1-CD2 2.77Å; D3-H95 IonicContact OD1-CE1 3.01Å; D3-H95 IonicContact OD1-NE2 3.52Å; D3-H95 PolarHBondContact OD1-NE2 3.38Å; D3-H95 IonicContact OD2-NE2 3.76Å
4L98.3Very high96.8Very high1 Ų141.2 Ų41.21%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-126.7138.3-163.9-53.6178.3000111.7L2 L12 G13 N14 W17 I65 V87 K88 L89 K90L2-L4 HydrophobicContact CB-CD1 4.05Å; L2-L4 HydrophobicContact CB-CD2 4.06Å; L2-L4 HydrophobicContact CB-CG 3.9Å; L2-L4 HydrophobicContact CD1-CD1 4.21Å; L4-L12 HydrophobicContact CB-CD1 3.82Å; L4-L12 HydrophobicContact CB-CG 4.25Å; L4-L12 HydrophobicContact CD1-CD1 4.21Å; L4-L12 HydrophobicContact CD1-CD2 3.97Å; L4-L12 HydrophobicContact CD1-CG 3.9Å; L4-G13 CarbonylContact C-O 3.58Å; L4-G13 VanDerWaalsContact CA-O 3.24Å; L4-G13 WeakPolarHBondContact CA-O 3.32Å; L4-N14 HydrophobicContact CD2-CB 4.46Å; L4-W17 HydrophobicContact CD1-CH2 4.15Å; L4-W17 HydrophobicContact CD2-CH2 3.37Å; L4-W17 HydrophobicContact CD2-CZ2 3.73Å; L4-W17 HydrophobicContact CD2-CZ3 4.09Å; L4-W17 HydrophobicContact CG-CH2 4.43Å; L4-I65 HydrophobicContact CD1-CD1 3.72Å; L4-V87 HydrophobicContact CD1-CG2 3.79Å; L4-V87 HydrophobicContact CG-CG2 4.12Å; L4-K88 PolarHBondContact N-O 3.16Å; L4-L89 HydrophobicContact CB-CD2 4.25Å; L4-L89 CarbonylContact O-C 3.58Å; L4-L89 VanDerWaalsContact O-CA 3.32Å; L4-L89 WeakPolarHBondContact O-CA 3.38Å; L4-K90 PolarHBondContact O-N 2.82Å
5E98.4Very high96.6Very high51 Ų5152.3 Ų52.324%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-83.9128.9168.6-170.269.5-162.800109.6V7 G13 K90 Y91 C92 G93E5-V7 HydrophobicContact CG-CG2 4.12Å; E5-G13 PolarHBondContact N-O 2.85Å; E5-G13 PolarHBondContact O-N 2.72Å; E5-G13 VanDerWaalsContact O-N 3.15Å; E5-K90 WeakPolarHBondContact OE2-CB 3.41Å; E5-Y91 WeakPolarHBondContact OE1-CA 3.41Å; E5-C92 WeakPolarHBondContact OE1-CA 3.4Å; E5-C92 PolarHBondContact OE1-N 3.18Å; E5-G93 PolarHBondContact OE1-N 3.46Å; E5-G93 PolarHBondContact OE2-N 2.72Å
6V98.4Very high96.5Very high0 Ų057.8 Ų57.80%028%0.278CS..EExtended strand (participates in β ladder)trans-91.5122171.6176.90000108.1L12 L89 K90 Y91 F96 L134 M160 I162V6-L12 HydrophobicContact CG2-CD1 3.82Å; V6-L89 HydrophobicContact CG2-CB 4.17Å; V6-L89 HydrophobicContact CG2-CD2 4.04Å; V6-K90 WeakPolarHBondContact CB-O 3.44Å; V6-K90 PolarHBondContact N-O 3.03Å; V6-Y91 WeakPolarHBondContact O-CD2 3.5Å; V6-F96 HydrophobicContact CB-CE1 4.41Å; V6-F96 HydrophobicContact CG2-CE1 3.92Å; V6-F96 HydrophobicContact CG2-CZ 4Å; V6-L134 HydrophobicContact CG1-CD1 4Å; V6-M160 HydrophobicContact CG1-CE 4.24Å; V6-M160 HydrophobicContact CG2-CE 3.78Å; V6-M160 HydrophobicContact CG2-SD 4.32Å; V6-I162 HydrophobicContact CG1-CD1 3.9Å; V6-I162 HydrophobicContact CG1-CG1 4.15Å
7V97.7Very high96.4Very high49 Ų4955.2 Ų55.230%0.29727%0.265SS..EExtended strand (participates in β ladder)trans-118.1102.5172.9-168.40000108.5E5 R10 S11E5-V7 HydrophobicContact CG-CG2 4.12Å; V7-R10 HydrophobicContact CB-CB 4.14Å; V7-R10 HydrophobicContact CG1-CB 3.8Å; V7-R10 HydrophobicContact CG1-CG 4.42Å; V7-R10 PolarHBondContact O-N 3.21Å; V7-S11 PolarHBondContact N-O 3.32Å; V7-S11 PolarHBondContact O-N 2.95Å
8P96.6Very high96.5Very high34 Ų3455.5 Ų55.522%0.22127%0.266CS..THydrogen-bonded Turntrans-51.9145.3179.2-27.335.5000112.4R10 Y91 L134P8-R10 PolarHBondContact O-N 3.13Å; P8-Y91 HydrophobicContact CG-CD2 4.43Å; P8-Y91 HydrophobicContact CG-CE2 3.83Å; P8-L134 HydrophobicContact CB-CB 4.4Å; P8-L134 HydrophobicContact CG-CD2 4.38Å
9E95.8Very high96.6Very high64 Ų6452.6 Ų52.630%0.29925%0.252SS..THydrogen-bonded Turntrans60.30.2-173.7-61.3-158.7121.400116.3R132 G133 Y163 G165E9-R132 HydrophobicContact CG-CG 4.19Å; E9-R132 WeakPolarHBondContact OE1-CG 3.48Å; E9-R132 IonicContact OE1-CZ 2.79Å; E9-R132 IonicContact OE1-NE 3.57Å; E9-R132 PolarHBondContact OE1-NE 2.86Å; E9-R132 IonicContact OE1-NH2 3.79Å; E9-R132 PolarHBondContact OE1-NH2 3.27Å; E9-R132 IonicContact OE2-CZ 2.8Å; E9-R132 IonicContact OE2-NE 2.75Å; E9-R132 PolarHBondContact OE2-NE 3.48Å; E9-R132 IonicContact OE2-NH2 2.88Å; E9-R132 PolarHBondContact OE2-NH2 3.02Å; E9-G133 PolarHBondContact N-O 2.98Å; E9-Y163 WeakPolarHBondContact CA-O 3.25Å; E9-G165 WeakPolarHBondContact OE1-CA 3.5Å; E9-G165 PolarHBondContact OE1-N 2.99Å
10R96.3Very high96.7Very high148 Ų14850.3 Ų50.356%0.55824%0.242SC*.THydrogen-bonded Turntrans-131.4-65.6-168.4-171.5178.9169.3-177.7-5.4114.7V7 P8 A20 L21V7-R10 HydrophobicContact CB-CB 4.14Å; V7-R10 HydrophobicContact CG1-CB 3.8Å; V7-R10 HydrophobicContact CG1-CG 4.42Å; V7-R10 PolarHBondContact O-N 3.21Å; P8-R10 PolarHBondContact O-N 3.13Å; R10-A20 CarbonylContact O-C 3.54Å; R10-A20 WeakPolarHBondContact O-CA 3.48Å; R10-L21 PolarHBondContact O-N 3.24Å
11S98.1Very high96.7Very high2 Ų248.1 Ų48.11%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-161.9165.8-166.258.30000114.8V7 E18 F19V7-S11 PolarHBondContact N-O 3.32Å; V7-S11 PolarHBondContact O-N 2.95Å; S11-E18 VanDerWaalsContact CB-OE2 3.31Å; S11-E18 WeakPolarHBondContact CB-OE2 3.37Å; S11-E18 PolarHBondContact OG-OE2 3.4Å; S11-F19 WeakPolarHBondContact CA-O 3.19Å; S11-F19 WeakPolarHBondContact CB-O 3.36Å
12L98.6Very high97.2Very high0 Ų043.2 Ų43.20%021%0.207CC..EExtended strand (participates in β ladder)trans-127.5123.5164.7-178.369000108.1L4 V6 F19 I65 I79 V81 L89 I162L4-L12 HydrophobicContact CB-CD1 3.82Å; L4-L12 HydrophobicContact CB-CG 4.25Å; L4-L12 HydrophobicContact CD1-CD1 4.21Å; L4-L12 HydrophobicContact CD1-CD2 3.97Å; L4-L12 HydrophobicContact CD1-CG 3.9Å; V6-L12 HydrophobicContact CG2-CD1 3.82Å; L12-F19 PolarHBondContact N-O 3.12Å; L12-F19 PolarHBondContact O-N 3.31Å; L12-I65 HydrophobicContact CD2-CD1 3.92Å; L12-I65 HydrophobicContact CD2-CG1 4.38Å; L12-I65 HydrophobicContact CD2-CG2 4.3Å; L12-I79 HydrophobicContact CB-CD1 3.91Å; L12-I79 HydrophobicContact CB-CG2 4.03Å; L12-I79 HydrophobicContact CD2-CG2 3.68Å; L12-V81 HydrophobicContact CD2-CG2 4.17Å; L12-L89 HydrophobicContact CD1-CD2 3.9Å; L12-I162 HydrophobicContact CB-CD1 3.86Å; L12-I162 HydrophobicContact CD1-CD1 4.21Å; L12-I162 HydrophobicContact CG-CD1 4.49Å
13G97.7Very high97.2Very high3 Ų343.4 Ų43.43%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-175.7-167.1-173.200000114.8L4 E5 W17L4-G13 CarbonylContact C-O 3.58Å; L4-G13 VanDerWaalsContact CA-O 3.24Å; L4-G13 WeakPolarHBondContact CA-O 3.32Å; E5-G13 PolarHBondContact N-O 2.85Å; E5-G13 PolarHBondContact O-N 2.72Å; E5-G13 VanDerWaalsContact O-N 3.15Å; G13-W17 CarbonylContact C-O 3.49Å; G13-W17 VanDerWaalsContact CA-O 3.29Å; G13-W17 WeakPolarHBondContact CA-O 3.33Å
14N96.3Very high97.2Very high53 Ų5340.8 Ų40.828%0.28319%0.194SC..  trans-141.7-170.31715947.9000109L4 Q16 W17L4-N14 HydrophobicContact CD2-CB 4.46Å; N14-Q16 PolarHBondContact O-N 2.61Å; N14-Q16 WeakPolarHBondContact OD1-CA 3.02Å; N14-Q16 WeakPolarHBondContact OD1-CB 2.83Å; N14-Q16 PolarHBondContact OD1-N 3.04Å; N14-W17 PolarHBondContact N-O 3.28Å; N14-W17 VanDerWaalsContact ND2-CE2 3.33Å; N14-W17 PolarHBondContact ND2-NE1 3.47Å; N14-W17 PolarHBondContact O-N 2.98Å; N14-W17 VanDerWaalsContact O-O 3.06Å; N14-W17 PolarHBondContact OD1-N 3.12Å
15E93.6Very high97.2Very high207 Ų20741 Ų4197%0.96720%0.195SC*.SBendtrans-63.3-21.6-178.4-61.2179.2177.300114.3
16Q94.4Very high97.1Very high141 Ų14140.2 Ų40.266%0.65920%0.195SC*.SBendtrans-92.6-33.7-177.2-60.3-176.4-10.300112.8N14N14-Q16 PolarHBondContact O-N 2.61Å; N14-Q16 WeakPolarHBondContact OD1-CA 3.02Å; N14-Q16 WeakPolarHBondContact OD1-CB 2.83Å; N14-Q16 PolarHBondContact OD1-N 3.04Å
17W96Very high97Very high14 Ų1441.3 Ų41.35%0.05320%0.2CC..  trans-157.1151.2-176.856.2-95.6000111.2L2 L4 G13 N14 F19 I31 H35 I39L2-W17 HydrophobicContact CD1-CH2 4.1Å; L2-W17 HydrophobicContact CD1-CZ2 4.21Å; L2-W17 HydrophobicContact CD2-CZ2 4.2Å; L4-W17 HydrophobicContact CD1-CH2 4.15Å; L4-W17 HydrophobicContact CD2-CH2 3.37Å; L4-W17 HydrophobicContact CD2-CZ2 3.73Å; L4-W17 HydrophobicContact CD2-CZ3 4.09Å; L4-W17 HydrophobicContact CG-CH2 4.43Å; G13-W17 CarbonylContact C-O 3.49Å; G13-W17 VanDerWaalsContact CA-O 3.29Å; G13-W17 WeakPolarHBondContact CA-O 3.33Å; N14-W17 PolarHBondContact N-O 3.28Å; N14-W17 VanDerWaalsContact ND2-CE2 3.33Å; N14-W17 PolarHBondContact ND2-NE1 3.47Å; N14-W17 PolarHBondContact O-N 2.98Å; N14-W17 VanDerWaalsContact O-O 3.06Å; N14-W17 PolarHBondContact OD1-N 3.12Å; W17-F19 HydrophobicContact CE3-CD2 4.16Å; W17-F19 AromaticContact CE3-CE2 3.93Å; W17-F19 HydrophobicContact CE3-CE2 3.93Å; W17-F19 HydrophobicContact CE3-CZ 4.33Å; W17-F19 HydrophobicContact CH2-CE2 4.02Å; W17-F19 AromaticContact CZ3-CD2 3.58Å; W17-F19 HydrophobicContact CZ3-CD2 3.58Å; W17-F19 AromaticContact CZ3-CE2 3.33Å; W17-F19 HydrophobicContact CZ3-CE2 3.33Å; W17-F19 HydrophobicContact CZ3-CZ 4.13Å; W17-I31 HydrophobicContact CB-CG2 3.82Å; W17-I31 HydrophobicContact CD2-CG2 4.22Å; W17-I31 HydrophobicContact CE3-CG2 4.25Å; W17-I31 HydrophobicContact CG-CG2 4.06Å; W17-H35 AromaticContact CD1-CD2 3.52Å; W17-H35 AromaticContact CD1-CE1 3.58Å; W17-H35 AromaticContact CD1-CG 3.75Å; W17-H35 AromaticContact CD1-ND1 3.78Å; W17-H35 AromaticContact CD1-NE2 3.44Å; W17-H35 AromaticContact CG-CD2 3.89Å; W17-H35 AromaticContact CG-NE2 3.9Å; W17-I39 HydrophobicContact CH2-CD1 4.08Å; W17-I39 HydrophobicContact CZ2-CD1 3.8Å; W17-I39 HydrophobicContact CZ2-CG1 4.5Å
18E96.9Very high97.1Very high60 Ų6039 Ų3928%0.2819%0.186SC..EExtended strand (participates in β ladder)trans-138.3144172.264.5172.8172.700111.4S11 M23 I31S11-E18 VanDerWaalsContact CB-OE2 3.31Å; S11-E18 WeakPolarHBondContact CB-OE2 3.37Å; S11-E18 PolarHBondContact OG-OE2 3.4Å; E18-M23 WeakPolarHBondContact O-CE 3.32Å; E18-I31 VanDerWaalsContact O-CD1 3.28Å; E18-I31 WeakPolarHBondContact O-CD1 3.45Å
19F98.4Very high97.1Very high0 Ų038.4 Ų38.40%018%0.181CC..EExtended strand (participates in β ladder)trans-92105.6163-62.3-60000108S11 L12 W17 A28 I31 L32 L60 L67 L76 I79S11-F19 WeakPolarHBondContact CA-O 3.19Å; S11-F19 WeakPolarHBondContact CB-O 3.36Å; L12-F19 PolarHBondContact N-O 3.12Å; L12-F19 PolarHBondContact O-N 3.31Å; W17-F19 HydrophobicContact CE3-CD2 4.16Å; W17-F19 AromaticContact CE3-CE2 3.93Å; W17-F19 HydrophobicContact CE3-CE2 3.93Å; W17-F19 HydrophobicContact CE3-CZ 4.33Å; W17-F19 HydrophobicContact CH2-CE2 4.02Å; W17-F19 AromaticContact CZ3-CD2 3.58Å; W17-F19 HydrophobicContact CZ3-CD2 3.58Å; W17-F19 AromaticContact CZ3-CE2 3.33Å; W17-F19 HydrophobicContact CZ3-CE2 3.33Å; W17-F19 HydrophobicContact CZ3-CZ 4.13Å; F19-A28 HydrophobicContact CD1-CB 4.16Å; F19-A28 HydrophobicContact CE1-CB 4.16Å; F19-I31 HydrophobicContact CD1-CD1 4.28Å; F19-I31 HydrophobicContact CE1-CB 4.09Å; F19-I31 HydrophobicContact CE1-CD1 4.29Å; F19-I31 HydrophobicContact CE1-CG2 3.82Å; F19-I31 HydrophobicContact CZ-CG2 3.98Å; F19-L32 HydrophobicContact CE1-CD2 4.45Å; F19-L32 HydrophobicContact CE1-CG 4.34Å; F19-L32 HydrophobicContact CZ-CD2 3.74Å; F19-L32 HydrophobicContact CZ-CG 4.11Å; F19-L60 HydrophobicContact CE2-CD2 4.19Å; F19-L67 HydrophobicContact CB-CD1 4.46Å; F19-L67 HydrophobicContact CB-CD2 4.13Å; F19-L67 HydrophobicContact CD1-CD1 3.64Å; F19-L67 HydrophobicContact CD2-CD1 3.98Å; F19-L67 HydrophobicContact CD2-CD2 4.11Å; F19-L67 HydrophobicContact CE1-CD1 3.77Å; F19-L67 HydrophobicContact CE2-CD1 4.09Å; F19-L67 HydrophobicContact CG-CD1 3.76Å; F19-L67 HydrophobicContact CG-CD2 4.09Å; F19-L67 HydrophobicContact CZ-CD1 4Å; F19-L76 HydrophobicContact CB-CD2 3.97Å; F19-I79 HydrophobicContact CB-CD1 4.22Å; F19-I79 VanDerWaalsContact O-CD1 3.27Å; F19-I79 WeakPolarHBondContact O-CD1 3.48Å
20A98.3Very high97.2Very high6 Ų637.3 Ų37.35%0.0518%0.181CC..EExtended strand (participates in β ladder)trans-96.7135.7-179.700000111.5R10 G22 M23 L76 P177R10-A20 CarbonylContact O-C 3.54Å; R10-A20 WeakPolarHBondContact O-CA 3.48Å; A20-G22 PolarHBondContact O-N 2.88Å; A20-M23 HydrophobicContact CB-CE 4.32Å; A20-M23 WeakPolarHBondContact O-CB 3.18Å; A20-M23 PolarHBondContact O-N 2.91Å; A20-L76 WeakPolarHBondContact O-CD2 3.43Å; A20-P177 HydrophobicContact CB-CG 4.34Å
21L98.4Very high97.2Very high6 Ų631.5 Ų31.53%0.03116%0.16CC..THydrogen-bonded Turntrans-55.4137.3170.5-60.3-176.9000109.6R10 M23 L76 I79 I162 Y163 T164 P174 P177R10-L21 PolarHBondContact O-N 3.24Å; L21-M23 VanDerWaalsContact C-N 3.27Å; L21-M23 PolarHBondContact O-N 2.77Å; L21-L76 HydrophobicContact CD2-CG 4.21Å; L21-I79 HydrophobicContact CD2-CD1 4.11Å; L21-I79 HydrophobicContact CD2-CG1 3.97Å; L21-I162 HydrophobicContact CD1-CG2 4.32Å; L21-Y163 VanDerWaalsContact CD1-CA 3.48Å; L21-T164 HydrophobicContact CB-CG2 4.47Å; L21-T164 HydrophobicContact CD1-CG2 3.73Å; L21-P174 HydrophobicContact CB-CG 3.74Å; L21-P177 WeakPolarHBondContact O-CG 3.37Å
22G97.9Very high97.2Very high0 Ų032 Ų320%016%0.163CC..THydrogen-bonded Turntrans83.6-8.4-173.700000114.5A20 R75 L76A20-G22 PolarHBondContact O-N 2.88Å; G22-R75 WeakPolarHBondContact O-CD 3.24Å; G22-R75 WeakPolarHBondContact O-CG 3.49Å; G22-L76 PolarHBondContact N-O 3.21Å
23M97.8Very high97.1Very high13 Ų1338.3 Ų38.36%0.06419%0.192CC..  trans-62.2136.8174.8178.7-178.3-73.200110.9E18 A20 L21 Q27 A28 I31 R75 L76E18-M23 WeakPolarHBondContact O-CE 3.32Å; A20-M23 HydrophobicContact CB-CE 4.32Å; A20-M23 WeakPolarHBondContact O-CB 3.18Å; A20-M23 PolarHBondContact O-N 2.91Å; L21-M23 VanDerWaalsContact C-N 3.27Å; L21-M23 PolarHBondContact O-N 2.77Å; M23-Q27 HydrophobicContact CG-CB 3.67Å; M23-Q27 HydrophobicContact SD-CB 3.87Å; M23-A28 HydrophobicContact SD-CB 4.29Å; M23-I31 HydrophobicContact CE-CD1 3.83Å; M23-I31 HydrophobicContact SD-CD1 3.82Å; M23-R75 CarbonylContact O-C 3.58Å; M23-R75 WeakPolarHBondContact O-CA 3.5Å; M23-L76 PolarHBondContact O-N 2.82Å
24P97.4Very high97.1Very high4 Ų445.6 Ų45.63%0.02622%0.223CC..BIsolated β-bridgetrans-64146.8173.6-22.433.7000113.5S26 Q27 A28 M176 H312P24-S26 VanDerWaalsContact C-N 3.25Å; P24-S26 PolarHBondContact O-N 3.44Å; P24-Q27 HydrophobicContact CB-CG 4.37Å; P24-Q27 HydrophobicContact CG-CG 4.37Å; P24-Q27 PolarHBondContact O-N 3.25Å; P24-A28 PolarHBondContact O-N 3.08Å; P24-M176 HydrophobicContact CG-CG 4.37Å; P24-M176 HydrophobicContact CG-SD 3.49Å; P24-M176 WeakPolarHBondContact CG-SD 3.36Å; P24-H312 VanDerWaalsContact CB-CE1 3.44Å; P24-H312 WeakPolarHBondContact CB-CE1 3.42Å
25F98Very high97Very high6 Ų644.8 Ų44.83%0.02622%0.218CC..Hα-helixtrans-49.8-43.5175.6-178.1-97.1000113.6Q27 A28 I29 V44 L56 L58 F69 Q74 F308 N309F25-Q27 VanDerWaalsContact C-N 3.27Å; F25-Q27 PolarHBondContact O-N 3.18Å; F25-A28 PolarHBondContact O-N 2.97Å; F25-I29 HydrophobicContact CD1-CG1 3.99Å; F25-I29 HydrophobicContact CE1-CD1 4.02Å; F25-I29 HydrophobicContact CE1-CG1 3.58Å; F25-I29 HydrophobicContact CZ-CD1 3.86Å; F25-I29 HydrophobicContact CZ-CG1 3.9Å; F25-I29 WeakPolarHBondContact O-CG1 3.34Å; F25-I29 PolarHBondContact O-N 2.79Å; F25-V44 HydrophobicContact CZ-CG1 4Å; F25-L56 HydrophobicContact CB-CD2 4.37Å; F25-L56 HydrophobicContact CD1-CD2 4.01Å; F25-L56 HydrophobicContact CD2-CD2 3.28Å; F25-L56 HydrophobicContact CD2-CG 3.82Å; F25-L56 HydrophobicContact CE1-CD2 4.08Å; F25-L56 HydrophobicContact CE2-CD1 4.09Å; F25-L56 HydrophobicContact CE2-CD2 3.33Å; F25-L56 HydrophobicContact CE2-CG 3.52Å; F25-L56 HydrophobicContact CG-CD2 3.62Å; F25-L56 HydrophobicContact CZ-CD1 4.28Å; F25-L56 HydrophobicContact CZ-CD2 3.75Å; F25-L56 HydrophobicContact CZ-CG 4.13Å; F25-L58 HydrophobicContact CD2-CD1 4.21Å; F25-L58 HydrophobicContact CD2-CD2 4.48Å; F25-L58 HydrophobicContact CD2-CG 4.24Å; F25-L58 HydrophobicContact CE2-CD1 3.86Å; F25-L58 HydrophobicContact CE2-CD2 3.4Å; F25-L58 VanDerWaalsContact CE2-CD2 3.4Å; F25-L58 HydrophobicContact CE2-CG 3.54Å; F25-L58 HydrophobicContact CZ-CD2 3.63Å; F25-L58 HydrophobicContact CZ-CG 4.26Å; F25-F69 VanDerWaalsContact CA-CE1 3.42Å; F25-F69 HydrophobicContact CB-CD1 3.82Å; F25-F69 HydrophobicContact CB-CE1 4.07Å; F25-F69 HydrophobicContact CB-CG 4.3Å; F25-F69 HydrophobicContact CD2-CB 4.45Å; F25-F69 HydrophobicContact CD2-CD1 4.06Å; F25-F69 AromaticContact CD2-CD2 3.67Å; F25-F69 HydrophobicContact CD2-CD2 3.67Å; F25-F69 HydrophobicContact CD2-CE1 4.25Å; F25-F69 AromaticContact CD2-CE2 3.85Å; F25-F69 HydrophobicContact CD2-CE2 3.85Å; F25-F69 AromaticContact CD2-CG 3.79Å; F25-F69 HydrophobicContact CD2-CG 3.79Å; F25-F69 HydrophobicContact CD2-CZ 4.16Å; F25-F69 HydrophobicContact CE2-CD2 4.28Å; F25-F69 HydrophobicContact CE2-CE2 4.4Å; F25-F69 HydrophobicContact CG-CD1 4.46Å; F25-Q74 HydrophobicContact CB-CB 4.48Å; F25-Q74 PolarHBondContact N-O 3.36Å; F25-F308 HydrophobicContact CD1-CZ 4.16Å; F25-F308 AromaticContact CE1-CE1 3.84Å; F25-F308 HydrophobicContact CE1-CE1 3.84Å; F25-F308 AromaticContact CE1-CZ 3.76Å; F25-F308 HydrophobicContact CE1-CZ 3.76Å; F25-F308 HydrophobicContact CZ-CE1 4.29Å; F25-F308 HydrophobicContact CZ-CZ 4.28Å; F25-N309 VanDerWaalsContact CD1-OD1 3.29Å; F25-N309 WeakPolarHBondContact CD1-OD1 3.08Å; F25-N309 HydrophobicContact CE1-CB 4.34Å
26S96.4Very high97.1Very high34 Ų3438.6 Ų38.624%0.23820%0.196CC..Hα-helixtrans-59.9-34.3179.457.40000113.7P24 S30 N309 H312P24-S26 VanDerWaalsContact C-N 3.25Å; P24-S26 PolarHBondContact O-N 3.44Å; S26-S30 PolarHBondContact O-N 2.96Å; S26-N309 WeakPolarHBondContact CA-OD1 3.49Å; S26-N309 WeakPolarHBondContact CB-OD1 3.4Å; S26-H312 PolarHBondContact OG-NE2 2.86Å
27Q97.2Very high97.1Very high23 Ų2342.3 Ų42.311%0.10720%0.204CC..Hα-helixtrans-75-40.1178.3-64.1-172.118.900111.6M23 P24 F25 I29 S30 I31 C180 M182M23-Q27 HydrophobicContact CG-CB 3.67Å; M23-Q27 HydrophobicContact SD-CB 3.87Å; P24-Q27 HydrophobicContact CB-CG 4.37Å; P24-Q27 HydrophobicContact CG-CG 4.37Å; P24-Q27 PolarHBondContact O-N 3.25Å; F25-Q27 VanDerWaalsContact C-N 3.27Å; F25-Q27 PolarHBondContact O-N 3.18Å; Q27-I29 VanDerWaalsContact C-N 3.32Å; Q27-I29 PolarHBondContact O-N 2.74Å; Q27-S30 WeakPolarHBondContact O-CB 3.37Å; Q27-S30 PolarHBondContact O-N 3.25Å; Q27-S30 VanDerWaalsContact O-N 3.09Å; Q27-I31 WeakPolarHBondContact O-CG1 3.35Å; Q27-I31 PolarHBondContact O-N 2.99Å; Q27-C180 PolarHBondContact NE2-O 3.05Å; Q27-M182 HydrophobicContact CG-CE 4.14Å
28A98.1Very high97.1Very high0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-60.7-43172.800000111.2F19 M23 P24 F25 S30 I31 L32 L58 F69F19-A28 HydrophobicContact CD1-CB 4.16Å; F19-A28 HydrophobicContact CE1-CB 4.16Å; M23-A28 HydrophobicContact SD-CB 4.29Å; P24-A28 PolarHBondContact O-N 3.08Å; F25-A28 PolarHBondContact O-N 2.97Å; A28-S30 VanDerWaalsContact C-N 3.32Å; A28-S30 PolarHBondContact O-N 2.88Å; A28-I31 WeakPolarHBondContact O-CB 3.49Å; A28-I31 PolarHBondContact O-N 3.26Å; A28-L32 VanDerWaalsContact O-CG 3.27Å; A28-L32 WeakPolarHBondContact O-CG 3.15Å; A28-L32 PolarHBondContact O-N 2.84Å; A28-L58 HydrophobicContact CB-CD1 3.95Å; A28-F69 HydrophobicContact CB-CE1 4.13Å; A28-F69 HydrophobicContact CB-CZ 3.52Å
29I97.8Very high97Very high23 Ų2343.4 Ų43.412%0.11821%0.212CC..Hα-helixtrans-59-43171.9-66.6-64.5000111.3F25 Q27 I31 L32 Q33 L58F25-I29 HydrophobicContact CD1-CG1 3.99Å; F25-I29 HydrophobicContact CE1-CD1 4.02Å; F25-I29 HydrophobicContact CE1-CG1 3.58Å; F25-I29 HydrophobicContact CZ-CD1 3.86Å; F25-I29 HydrophobicContact CZ-CG1 3.9Å; F25-I29 WeakPolarHBondContact O-CG1 3.34Å; F25-I29 PolarHBondContact O-N 2.79Å; Q27-I29 VanDerWaalsContact C-N 3.32Å; Q27-I29 PolarHBondContact O-N 2.74Å; I29-I31 VanDerWaalsContact C-N 3.34Å; I29-I31 PolarHBondContact O-N 2.78Å; I29-L32 HydrophobicContact CD1-CD1 4.46Å; I29-L32 PolarHBondContact O-N 3.23Å; I29-Q33 HydrophobicContact CG2-CG 4.17Å; I29-Q33 WeakPolarHBondContact O-CB 3.4Å; I29-Q33 VanDerWaalsContact O-CG 3.31Å; I29-Q33 WeakPolarHBondContact O-CG 3.33Å; I29-Q33 PolarHBondContact O-N 3.27Å; I29-L58 HydrophobicContact CD1-CD1 3.94Å; I29-L58 HydrophobicContact CD1-CD2 3.66Å; I29-L58 HydrophobicContact CD1-CG 4.47Å; I29-L58 HydrophobicContact CG1-CD1 4.42Å
30S96.6Very high96.8Very high41 Ų4148.5 Ų48.529%0.28723%0.234SC..Hα-helixtrans-61.2-41.1177.7-169.50000112.4S26 Q27 A28 Q33 K34S26-S30 PolarHBondContact O-N 2.96Å; Q27-S30 WeakPolarHBondContact O-CB 3.37Å; Q27-S30 PolarHBondContact O-N 3.25Å; Q27-S30 VanDerWaalsContact O-N 3.09Å; A28-S30 VanDerWaalsContact C-N 3.32Å; A28-S30 PolarHBondContact O-N 2.88Å; S30-Q33 PolarHBondContact O-N 2.84Å; S30-K34 WeakPolarHBondContact O-CB 3.43Å; S30-K34 VanDerWaalsContact O-CG 3.28Å; S30-K34 WeakPolarHBondContact O-CG 3.38Å; S30-K34 PolarHBondContact O-N 3.49Å
31I97.6Very high96.6Very high25 Ų2553 Ų5313%0.12826%0.257CS..Hα-helixtrans-59.7-51173.6-68.7169.3000109.8W17 E18 F19 M23 Q27 A28 I29 Q33 K34 H35W17-I31 HydrophobicContact CB-CG2 3.82Å; W17-I31 HydrophobicContact CD2-CG2 4.22Å; W17-I31 HydrophobicContact CE3-CG2 4.25Å; W17-I31 HydrophobicContact CG-CG2 4.06Å; E18-I31 VanDerWaalsContact O-CD1 3.28Å; E18-I31 WeakPolarHBondContact O-CD1 3.45Å; F19-I31 HydrophobicContact CD1-CD1 4.28Å; F19-I31 HydrophobicContact CE1-CB 4.09Å; F19-I31 HydrophobicContact CE1-CD1 4.29Å; F19-I31 HydrophobicContact CE1-CG2 3.82Å; F19-I31 HydrophobicContact CZ-CG2 3.98Å; M23-I31 HydrophobicContact CE-CD1 3.83Å; M23-I31 HydrophobicContact SD-CD1 3.82Å; Q27-I31 WeakPolarHBondContact O-CG1 3.35Å; Q27-I31 PolarHBondContact O-N 2.99Å; A28-I31 WeakPolarHBondContact O-CB 3.49Å; A28-I31 PolarHBondContact O-N 3.26Å; I29-I31 VanDerWaalsContact C-N 3.34Å; I29-I31 PolarHBondContact O-N 2.78Å; I31-Q33 VanDerWaalsContact C-N 3.31Å; I31-Q33 PolarHBondContact O-N 2.86Å; I31-K34 PolarHBondContact O-N 2.86Å; I31-H35 PolarHBondContact O-CD2 2.9Å; I31-H35 PolarHBondContact O-N 3.38Å
32L97.6Very high96.6Very high13 Ų1355.1 Ų55.17%0.06827%0.271CS..Hα-helixtrans-60.5-39.7-179.7-66.1168000112.3F19 A28 I29 H35 C36 I39 V42 L58 L60F19-L32 HydrophobicContact CE1-CD2 4.45Å; F19-L32 HydrophobicContact CE1-CG 4.34Å; F19-L32 HydrophobicContact CZ-CD2 3.74Å; F19-L32 HydrophobicContact CZ-CG 4.11Å; A28-L32 VanDerWaalsContact O-CG 3.27Å; A28-L32 WeakPolarHBondContact O-CG 3.15Å; A28-L32 PolarHBondContact O-N 2.84Å; I29-L32 HydrophobicContact CD1-CD1 4.46Å; I29-L32 PolarHBondContact O-N 3.23Å; L32-H35 CarbonylContact O-C 3.58Å; L32-H35 PolarHBondContact O-N 3.11Å; L32-C36 WeakPolarHBondContact O-CA 3.47Å; L32-C36 PolarHBondContact O-N 2.93Å; L32-I39 HydrophobicContact CD2-CB 4.27Å; L32-I39 HydrophobicContact CD2-CD1 3.92Å; L32-I39 HydrophobicContact CD2-CG2 3.62Å; L32-V42 HydrophobicContact CD1-CG1 4.04Å; L32-V42 HydrophobicContact CD2-CG2 4.13Å; L32-L58 HydrophobicContact CD1-CD1 3.76Å; L32-L60 HydrophobicContact CD2-CD1 4.29Å; L32-L60 HydrophobicContact CD2-CD2 4.11Å; L32-L60 HydrophobicContact CD2-CG 4.23Å
33Q96.3Very high96.6Very high132 Ų13259.6 Ų59.662%0.61729%0.291SS*.Hα-helixtrans-65.4-43.7176-74.9175.9-22.200112.2I29 S30 I31 H35 C36I29-Q33 HydrophobicContact CG2-CG 4.17Å; I29-Q33 WeakPolarHBondContact O-CB 3.4Å; I29-Q33 VanDerWaalsContact O-CG 3.31Å; I29-Q33 WeakPolarHBondContact O-CG 3.33Å; I29-Q33 PolarHBondContact O-N 3.27Å; S30-Q33 PolarHBondContact O-N 2.84Å; I31-Q33 VanDerWaalsContact C-N 3.31Å; I31-Q33 PolarHBondContact O-N 2.86Å; Q33-H35 VanDerWaalsContact C-N 3.28Å; Q33-H35 PolarHBondContact O-N 2.81Å; Q33-C36 WeakPolarHBondContact O-CB 3.16Å; Q33-C36 PolarHBondContact O-SG 3.26Å; Q33-C36 VanDerWaalsContact O-SG 3.33Å
34K97Very high96.5Very high156 Ų15662 Ų6268%0.67831%0.307SS*.Hα-helixtrans-64.8-33.3176.9-73.1173-176.3176.90112.2S30 I31S30-K34 WeakPolarHBondContact O-CB 3.43Å; S30-K34 VanDerWaalsContact O-CG 3.28Å; S30-K34 WeakPolarHBondContact O-CG 3.38Å; S30-K34 PolarHBondContact O-N 3.49Å; I31-K34 PolarHBondContact O-N 2.86Å
35H96.1Very high96.5Very high37 Ų3765.2 Ų65.217%0.17132%0.323CS..THydrogen-bonded Turntrans-106.623.3-177.5-61.2-73.2000113.9W17 I31 L32 Q33 R37 I38 I39W17-H35 AromaticContact CD1-CD2 3.52Å; W17-H35 AromaticContact CD1-CE1 3.58Å; W17-H35 AromaticContact CD1-CG 3.75Å; W17-H35 AromaticContact CD1-ND1 3.78Å; W17-H35 AromaticContact CD1-NE2 3.44Å; W17-H35 AromaticContact CG-CD2 3.89Å; W17-H35 AromaticContact CG-NE2 3.9Å; I31-H35 PolarHBondContact O-CD2 2.9Å; I31-H35 PolarHBondContact O-N 3.38Å; L32-H35 CarbonylContact O-C 3.58Å; L32-H35 PolarHBondContact O-N 3.11Å; Q33-H35 VanDerWaalsContact C-N 3.28Å; Q33-H35 PolarHBondContact O-N 2.81Å; H35-R37 PolarHBondContact O-N 2.88Å; H35-I38 PolarHBondContact O-N 3.34Å; H35-I39 HydrophobicContact CB-CD1 4.3Å; H35-I39 PolarHBondContact O-N 2.95Å
36C94.7Very high96.5Very high76 Ų7668.8 Ų68.851%0.51434%0.337SS..THydrogen-bonded Turntrans-61.7-16.1-175.465.40000115L32 Q33L32-C36 WeakPolarHBondContact O-CA 3.47Å; L32-C36 PolarHBondContact O-N 2.93Å; Q33-C36 WeakPolarHBondContact O-CB 3.16Å; Q33-C36 PolarHBondContact O-SG 3.26Å; Q33-C36 VanDerWaalsContact O-SG 3.33Å
37R94.6Very high96.4Very high219 Ų21968.1 Ų68.183%0.82633%0.333SS*.THydrogen-bonded Turntrans-74.8-27.7173.3-65.8-175.7-179.6-178.30.5112.7H35 K40H35-R37 PolarHBondContact O-N 2.88Å; R37-K40 WeakPolarHBondContact O-CE 3.3Å
38I94.8Very high96.1Very high93 Ų9371.9 Ų71.948%0.47735%0.35SS..THydrogen-bonded Turntrans-103.5-47.6-174.6-53.2171.5000109.7L2 H35L2-I38 HydrophobicContact CD2-CG2 3.61Å; H35-I38 PolarHBondContact O-N 3.34Å
39I95.6Very high95.8Very high5 Ų578.1 Ų78.13%0.02638%0.379CS..SBendtrans-95.8111.7178.5-53173000108.4L2 W17 L32 H35 V42 L60L2-I39 HydrophobicContact CD1-CG1 4.27Å; L2-I39 HydrophobicContact CD2-CG1 4.31Å; W17-I39 HydrophobicContact CH2-CD1 4.08Å; W17-I39 HydrophobicContact CZ2-CD1 3.8Å; W17-I39 HydrophobicContact CZ2-CG1 4.5Å; L32-I39 HydrophobicContact CD2-CB 4.27Å; L32-I39 HydrophobicContact CD2-CD1 3.92Å; L32-I39 HydrophobicContact CD2-CG2 3.62Å; H35-I39 HydrophobicContact CB-CD1 4.3Å; H35-I39 PolarHBondContact O-N 2.95Å; I39-V42 HydrophobicContact CG2-CG2 3.92Å; I39-L60 HydrophobicContact CG2-CD2 3.7Å; I39-L60 HydrophobicContact CG2-CG 3.86Å
40K94.1Very high95.6Very high106 Ų10679.6 Ų79.646%0.46139%0.389SS..  trans-123.3165.3-174.6-61-178.3-174.9178.60111.5R37 V42R37-K40 WeakPolarHBondContact O-CE 3.3Å; K40-V42 VanDerWaalsContact C-N 3.33Å; K40-V42 PolarHBondContact O-N 2.91Å
41N95.4Very high95.4Very high100 Ų10078.1 Ų78.154%0.53538%0.379SS..  trans52.648.9178.7-61.4-9.6000113T61 Q62N41-T61 VanDerWaalsContact CB-OG1 3.3Å; N41-T61 WeakPolarHBondContact CB-OG1 3.44Å; N41-T61 PolarHBondContact O-N 3.42Å; N41-T61 PolarHBondContact O-OG1 2.81Å; N41-Q62 HydrophobicContact CB-CG 4.14Å; N41-Q62 PolarHBondContact ND2-NE2 3.17Å
42V97.3Very high95.3Very high52 Ų5279.1 Ų79.132%0.31538%0.384SS..EExtended strand (participates in β ladder)trans-78.9132.3172.4-176.50000109.2L32 I39 K40 N59 L60L32-V42 HydrophobicContact CD1-CG1 4.04Å; L32-V42 HydrophobicContact CD2-CG2 4.13Å; I39-V42 HydrophobicContact CG2-CG2 3.92Å; K40-V42 VanDerWaalsContact C-N 3.33Å; K40-V42 PolarHBondContact O-N 2.91Å; V42-N59 WeakPolarHBondContact CA-O 3.45Å; V42-L60 HydrophobicContact CG1-CD1 4.46Å; V42-L60 HydrophobicContact CG2-CG 4.35Å
43Q97.6Very high95.2Very high93 Ų9382.9 Ų82.944%0.43541%0.412SS..EExtended strand (participates in β ladder)trans-111.5145.2171.7-58.6170.8-22.300110L45 L58 N59 T61Q43-L45 HydrophobicContact CB-CD2 4.33Å; Q43-L58 WeakPolarHBondContact O-CA 3.38Å; Q43-N59 HydrophobicContact CB-CB 4.24Å; Q43-N59 PolarHBondContact N-O 2.91Å; Q43-N59 PolarHBondContact O-N 3.33Å; Q43-N59 PolarHBondContact OE1-ND2 3.32Å; Q43-N59 VanDerWaalsContact OE1-ND2 3.13Å; Q43-T61 HydrophobicContact CG-CG2 4.1Å
44V96.8Very high95.1Very high64 Ų6481.6 Ų81.639%0.38841%0.405SS..EExtended strand (participates in β ladder)trans-106.5120.9170-172.90000107.5F25 Y46 L56 I57 L58F25-V44 HydrophobicContact CZ-CG1 4Å; V44-Y46 HydrophobicContact CG1-CD1 4.46Å; V44-L56 HydrophobicContact CG1-CD1 3.81Å; V44-I57 WeakPolarHBondContact CA-O 2.96Å; V44-L58 HydrophobicContact CB-CD2 4.4Å; V44-L58 HydrophobicContact CG1-CD2 4.32Å; V44-L58 HydrophobicContact CG2-CD2 3.75Å
45L97.6Very high95.1Very high72 Ų7275.9 Ų75.938%0.37738%0.383SS..EExtended strand (participates in β ladder)trans-115.1131.5-180-47171.9000109.2Q43 I57 N59Q43-L45 HydrophobicContact CB-CD2 4.33Å; L45-I57 HydrophobicContact CB-CB 4.17Å; L45-I57 PolarHBondContact N-O 2.87Å; L45-I57 PolarHBondContact O-N 2.83Å; L45-N59 HydrophobicContact CD1-CB 4.24Å
46Y96.1Very high95.2Very high80 Ų8074.5 Ų74.531%0.31438%0.376SS..  trans-152.3158.5177.163.8-87.6000110.4V44 E48 P303V44-Y46 HydrophobicContact CG1-CD1 4.46Å; Y46-E48 HydrophobicContact CE2-CB 4.32Å; Y46-P303 HydrophobicContact CD1-CB 3.98Å; Y46-P303 HydrophobicContact CD2-CB 3.58Å; Y46-P303 HydrophobicContact CD2-CG 3.65Å; Y46-P303 HydrophobicContact CE1-CB 4.28Å; Y46-P303 HydrophobicContact CE2-CB 3.91Å; Y46-P303 HydrophobicContact CE2-CG 4.32Å; Y46-P303 HydrophobicContact CG-CB 3.62Å; Y46-P303 HydrophobicContact CG-CG 3.87Å
47S95.3Very high95.3Very high21 Ų2172.7 Ų72.715%0.14736%0.361CS..  trans-84.7122.6170175.90000109.8T50 P51S47-T50 PolarHBondContact OG-N 2.75Å; S47-T50 PolarHBondContact OG-O 2.91Å; S47-T50 PolarHBondContact OG-OG1 2.92Å; S47-P51 VanDerWaalsContact O-CA 3.29Å; S47-P51 WeakPolarHBondContact O-CA 3.32Å; S47-P51 WeakPolarHBondContact O-CB 3.26Å
48E91.4Very high95.5Very high101 Ų10162.3 Ų62.347%0.47232%0.322SS..SBendtrans-75.9-38.7176.5-173.3177179.500111.5Y46 N389Y46-E48 HydrophobicContact CE2-CB 4.32Å; E48-N389 PolarHBondContact O-ND2 2.85Å
49Q91.1Very high95.7Very high131 Ų13158.5 Ų58.561%0.61230%0.303SS*.SBendtrans-81-34.5-177-62.176.520.600112.6
50T92.9Very high95.8Very high54 Ų5458.3 Ų58.333%0.33130%0.301SS..  trans-135.161.6-174.653.60000111.7S47 L52 S53 H54S47-T50 PolarHBondContact OG-N 2.75Å; S47-T50 PolarHBondContact OG-O 2.91Å; S47-T50 PolarHBondContact OG-OG1 2.92Å; T50-L52 PolarHBondContact O-N 2.98Å; T50-L52 VanDerWaalsContact O-N 3.11Å; T50-S53 PolarHBondContact O-N 2.91Å; T50-S53 VanDerWaalsContact O-N 3.08Å; T50-H54 PolarHBondContact OG1-CE1 2.79Å; T50-H54 PolarHBondContact OG1-ND1 2.76Å
51P94.1Very high96Very high10 Ų1054.8 Ų54.87%0.06529%0.289CS..THydrogen-bonded Turntrans-64.5-17-173.425.6-35.9000114.7S47 A71 F302 P303S47-P51 VanDerWaalsContact O-CA 3.29Å; S47-P51 WeakPolarHBondContact O-CA 3.32Å; S47-P51 WeakPolarHBondContact O-CB 3.26Å; P51-A71 WeakPolarHBondContact O-CB 3.4Å; P51-F302 HydrophobicContact CB-CD1 4.05Å; P51-F302 HydrophobicContact CB-CE1 4.42Å; P51-F302 HydrophobicContact CG-CD1 3.79Å; P51-F302 HydrophobicContact CG-CE1 3.99Å; P51-P303 HydrophobicContact CB-CG 4.2Å
52L94.9Very high96Very high46 Ų4654.3 Ų54.324%0.24128%0.284CS..THydrogen-bonded Turntrans-90.9-13.6177.3-64.4176.3000113.6T50 A71 F302 Y339T50-L52 PolarHBondContact O-N 2.98Å; T50-L52 VanDerWaalsContact O-N 3.11Å; L52-A71 WeakPolarHBondContact O-CB 3.35Å; L52-F302 HydrophobicContact CD1-CE1 4.27Å; L52-F302 HydrophobicContact CD1-CZ 4.19Å; L52-F302 HydrophobicContact CD2-CE1 3.61Å; L52-F302 HydrophobicContact CD2-CZ 4.07Å; L52-F302 HydrophobicContact CG-CE1 3.79Å; L52-F302 HydrophobicContact CG-CZ 4.2Å; L52-Y339 HydrophobicContact CD1-CD1 3.76Å; L52-Y339 HydrophobicContact CD1-CG 4.31Å; L52-Y339 HydrophobicContact CD2-CD1 3.71Å; L52-Y339 HydrophobicContact CD2-CE1 4.03Å; L52-Y339 HydrophobicContact CG-CD1 4.42Å
53S94.9Very high96Very high92 Ų9252.3 Ų52.364%0.64327%0.271SS*.THydrogen-bonded Turntrans-92.6-15.6-177.5-55.80000113.1T50T50-S53 PolarHBondContact O-N 2.91Å; T50-S53 VanDerWaalsContact O-N 3.08Å
54H94.6Very high96Very high105 Ų10547.9 Ų47.949%0.48625%0.25SS..SBendtrans-129.7140-176-58.787.3000109.7T50 A71T50-H54 PolarHBondContact OG1-CE1 2.79Å; T50-H54 PolarHBondContact OG1-ND1 2.76Å; H54-A71 WeakPolarHBondContact O-CB 3.5Å
55D96.7Very high96.1Very high37 Ų3744.8 Ų44.820%0.19823%0.232CC..  trans-61.3149.5174.8-70.4-23.7000111.4L68 F69 K77D55-L68 HydrophobicContact CB-CB 4.39Å; D55-F69 CarbonylContact C-O 3.59Å; D55-F69 VanDerWaalsContact CA-O 3.29Å; D55-F69 WeakPolarHBondContact CA-O 3.09Å; D55-F69 VanDerWaalsContact CB-O 3.24Å; D55-F69 WeakPolarHBondContact CB-O 3.47Å; D55-K77 IonicContact OD1-NZ 3.37Å; D55-K77 PolarHBondContact OD1-NZ 2.95Å; D55-K77 WeakPolarHBondContact OD2-CE 3.15Å; D55-K77 IonicContact OD2-NZ 3.82Å; D55-K77 PolarHBondContact OD2-NZ 2.86Å
56L97.6Very high96.2Very high8 Ų844 Ų444%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-83.6126169.8171.667000108.4F25 V44 F69 F308F25-L56 HydrophobicContact CB-CD2 4.37Å; F25-L56 HydrophobicContact CD1-CD2 4.01Å; F25-L56 HydrophobicContact CD2-CD2 3.28Å; F25-L56 HydrophobicContact CD2-CG 3.82Å; F25-L56 HydrophobicContact CE1-CD2 4.08Å; F25-L56 HydrophobicContact CE2-CD1 4.09Å; F25-L56 HydrophobicContact CE2-CD2 3.33Å; F25-L56 HydrophobicContact CE2-CG 3.52Å; F25-L56 HydrophobicContact CG-CD2 3.62Å; F25-L56 HydrophobicContact CZ-CD1 4.28Å; F25-L56 HydrophobicContact CZ-CD2 3.75Å; F25-L56 HydrophobicContact CZ-CG 4.13Å; V44-L56 HydrophobicContact CG1-CD1 3.81Å; L56-F69 HydrophobicContact CB-CB 4.18Å; L56-F69 PolarHBondContact N-O 2.85Å; L56-F69 WeakPolarHBondContact O-CB 3.46Å; L56-F69 WeakPolarHBondContact O-CD2 3.3Å; L56-F69 PolarHBondContact O-N 3.03Å; L56-F308 HydrophobicContact CD1-CZ 4.39Å; L56-F308 HydrophobicContact CD2-CE2 4.5Å; L56-F308 HydrophobicContact CD2-CZ 3.78Å
57I98.6Very high96.3Very high38 Ų3840.2 Ų40.220%0.19521%0.211CC..EExtended strand (participates in β ladder)trans-117.3129.7-170.9-51.8176.4000110.7V44 L45 K66 L67 L68V44-I57 WeakPolarHBondContact CA-O 2.96Å; L45-I57 HydrophobicContact CB-CB 4.17Å; L45-I57 PolarHBondContact N-O 2.87Å; L45-I57 PolarHBondContact O-N 2.83Å; I57-K66 HydrophobicContact CG2-CB 4Å; I57-K66 HydrophobicContact CG2-CD 4.38Å; I57-K66 HydrophobicContact CG2-CG 4.06Å; I57-L67 WeakPolarHBondContact CA-O 3.42Å; I57-L68 HydrophobicContact CG1-CG 4.31Å
58L98.6Very high96.5Very high0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-96.9116.3160.7-59.3176.7000108.8F25 A28 I29 L32 Q43 V44 L60 K66 L67 F69F25-L58 HydrophobicContact CD2-CD1 4.21Å; F25-L58 HydrophobicContact CD2-CD2 4.48Å; F25-L58 HydrophobicContact CD2-CG 4.24Å; F25-L58 HydrophobicContact CE2-CD1 3.86Å; F25-L58 HydrophobicContact CE2-CD2 3.4Å; F25-L58 VanDerWaalsContact CE2-CD2 3.4Å; F25-L58 HydrophobicContact CE2-CG 3.54Å; F25-L58 HydrophobicContact CZ-CD2 3.63Å; F25-L58 HydrophobicContact CZ-CG 4.26Å; A28-L58 HydrophobicContact CB-CD1 3.95Å; I29-L58 HydrophobicContact CD1-CD1 3.94Å; I29-L58 HydrophobicContact CD1-CD2 3.66Å; I29-L58 HydrophobicContact CD1-CG 4.47Å; I29-L58 HydrophobicContact CG1-CD1 4.42Å; L32-L58 HydrophobicContact CD1-CD1 3.76Å; Q43-L58 WeakPolarHBondContact O-CA 3.38Å; V44-L58 HydrophobicContact CB-CD2 4.4Å; V44-L58 HydrophobicContact CG1-CD2 4.32Å; V44-L58 HydrophobicContact CG2-CD2 3.75Å; L58-L60 HydrophobicContact CB-CD1 4.33Å; L58-K66 CarbonylContact O-C 3.51Å; L58-K66 WeakPolarHBondContact O-CA 3.26Å; L58-L67 HydrophobicContact CB-CB 4.15Å; L58-L67 HydrophobicContact CB-CD1 4.34Å; L58-L67 HydrophobicContact CD1-CD1 4.33Å; L58-L67 PolarHBondContact N-O 3.1Å; L58-L67 PolarHBondContact O-N 3.05Å; L58-F69 HydrophobicContact CB-CE2 4.39Å; L58-F69 HydrophobicContact CD1-CE2 3.66Å; L58-F69 HydrophobicContact CD1-CZ 4.01Å; L58-F69 HydrophobicContact CG-CD2 4.48Å; L58-F69 HydrophobicContact CG-CE2 3.82Å
59N98.6Very high96.8Very high14 Ų1435.9 Ų35.98%0.07519%0.189CC..EExtended strand (participates in β ladder)trans-107107-178.2-176.825.7000110V42 Q43 L45 T61 K66 Y82V42-N59 WeakPolarHBondContact CA-O 3.45Å; Q43-N59 HydrophobicContact CB-CB 4.24Å; Q43-N59 PolarHBondContact N-O 2.91Å; Q43-N59 PolarHBondContact O-N 3.33Å; Q43-N59 PolarHBondContact OE1-ND2 3.32Å; Q43-N59 VanDerWaalsContact OE1-ND2 3.13Å; L45-N59 HydrophobicContact CD1-CB 4.24Å; N59-T61 WeakPolarHBondContact ND2-CG2 3.4Å; N59-T61 PolarHBondContact O-N 3.14Å; N59-K66 HydrophobicContact CB-CG 4.23Å; N59-K66 WeakPolarHBondContact OD1-CG 3.27Å; N59-Y82 WeakPolarHBondContact OD1-CE1 3.05Å; N59-Y82 PolarHBondContact OD1-OH 2.76Å
60L98.3Very high97.1Very high0 Ų030.8 Ų30.80%017%0.166CC..EExtended strand (participates in β ladder)trans-86.981177-73.162.6000107.9F19 L32 I39 V42 L58 Q62 D63 G64 I65 L67F19-L60 HydrophobicContact CE2-CD2 4.19Å; L32-L60 HydrophobicContact CD2-CD1 4.29Å; L32-L60 HydrophobicContact CD2-CD2 4.11Å; L32-L60 HydrophobicContact CD2-CG 4.23Å; I39-L60 HydrophobicContact CG2-CD2 3.7Å; I39-L60 HydrophobicContact CG2-CG 3.86Å; V42-L60 HydrophobicContact CG1-CD1 4.46Å; V42-L60 HydrophobicContact CG2-CG 4.35Å; L58-L60 HydrophobicContact CB-CD1 4.33Å; L60-Q62 VanDerWaalsContact C-N 3.26Å; L60-Q62 PolarHBondContact O-N 3.5Å; L60-D63 HydrophobicContact CB-CB 4.18Å; L60-D63 PolarHBondContact O-N 3.18Å; L60-G64 PolarHBondContact O-N 3.34Å; L60-G64 VanDerWaalsContact O-N 3.07Å; L60-I65 HydrophobicContact CB-CB 4.24Å; L60-I65 HydrophobicContact CD2-CB 4.44Å; L60-I65 PolarHBondContact N-O 3.39Å; L60-I65 PolarHBondContact O-N 2.8Å; L60-L67 HydrophobicContact CD1-CD1 4.36Å; L60-L67 HydrophobicContact CD1-CG 4.46Å
61T97.3Very high97.2Very high33 Ų3328.7 Ų28.720%0.20215%0.154CC..THydrogen-bonded Turntrans-61.6-31.1-166.258.10000114.6N41 Q43 N59 Y82N41-T61 VanDerWaalsContact CB-OG1 3.3Å; N41-T61 WeakPolarHBondContact CB-OG1 3.44Å; N41-T61 PolarHBondContact O-N 3.42Å; N41-T61 PolarHBondContact O-OG1 2.81Å; Q43-T61 HydrophobicContact CG-CG2 4.1Å; N59-T61 WeakPolarHBondContact ND2-CG2 3.4Å; N59-T61 PolarHBondContact O-N 3.14Å; T61-Y82 WeakPolarHBondContact CA-OH 3.48Å
62Q96.7Very high97.2Very high90 Ų9030.9 Ų30.942%0.42117%0.167SC..THydrogen-bonded Turntrans-79.2-19.1178.4-75.6-168.1-4.500113.6N41 L60N41-Q62 HydrophobicContact CB-CG 4.14Å; N41-Q62 PolarHBondContact ND2-NE2 3.17Å; L60-Q62 VanDerWaalsContact C-N 3.26Å; L60-Q62 PolarHBondContact O-N 3.5Å
63D97.1Very high97.1Very high9 Ų931.7 Ų31.75%0.04817%0.172CC..THydrogen-bonded Turntrans-108.3-8.7-173.9-54.5-65.3000112.3L2 L60 I65L2-D63 HydrophobicContact CD1-CB 3.85Å; L2-D63 VanDerWaalsContact CD1-CG 3.44Å; L2-D63 WeakPolarHBondContact CD1-OD1 3.41Å; L2-D63 WeakPolarHBondContact CG-OD1 3.39Å; L60-D63 HydrophobicContact CB-CB 4.18Å; L60-D63 PolarHBondContact O-N 3.18Å; D63-I65 HydrophobicContact CB-CD1 4.05Å; D63-I65 HydrophobicContact CB-CG1 4.34Å
64G97.6Very high97.2Very high0 Ų027.9 Ų27.90%014%0.144CC..THydrogen-bonded Turntrans74.725.8178.800000113.5L60 V81 Y82 D83L60-G64 PolarHBondContact O-N 3.34Å; L60-G64 VanDerWaalsContact O-N 3.07Å; G64-V81 CarbonylContact O-C 3.52Å; G64-V81 WeakPolarHBondContact O-CA 3.26Å; G64-Y82 VanDerWaalsContact C-CD1 3.48Å; G64-Y82 VanDerWaalsContact O-CD1 3.25Å; G64-Y82 WeakPolarHBondContact O-CD1 3.34Å; G64-Y82 PolarHBondContact O-N 3.32Å; G64-D83 PolarHBondContact O-N 3.17Å
65I98.6Very high97.3Very high0 Ų025.7 Ų25.70%013%0.131CC..EExtended strand (participates in β ladder)trans-120136.5-172.9-58.5166.1000110.5L2 L4 L12 L60 D63 L67 I79 E80 V81 V87L2-I65 HydrophobicContact CD1-CD1 4.5Å; L4-I65 HydrophobicContact CD1-CD1 3.72Å; L12-I65 HydrophobicContact CD2-CD1 3.92Å; L12-I65 HydrophobicContact CD2-CG1 4.38Å; L12-I65 HydrophobicContact CD2-CG2 4.3Å; L60-I65 HydrophobicContact CB-CB 4.24Å; L60-I65 HydrophobicContact CD2-CB 4.44Å; L60-I65 PolarHBondContact N-O 3.39Å; L60-I65 PolarHBondContact O-N 2.8Å; D63-I65 HydrophobicContact CB-CD1 4.05Å; D63-I65 HydrophobicContact CB-CG1 4.34Å; I65-L67 HydrophobicContact CG2-CD2 4.04Å; I65-I79 HydrophobicContact CG2-CG2 4.23Å; I65-E80 CarbonylContact C-O 3.6Å; I65-E80 VanDerWaalsContact CA-O 3.31Å; I65-E80 WeakPolarHBondContact CA-O 3.27Å; I65-V81 HydrophobicContact CG1-CG2 4.32Å; I65-V87 HydrophobicContact CD1-CG2 4.48Å
66K98.8Very high97.4Very high56 Ų5623.9 Ų23.924%0.24312%0.122CC..EExtended strand (participates in β ladder)trans-119.7137.8165.4-72167.1-174.3170.60110.3I57 L58 N59 L68 E80 Y82I57-K66 HydrophobicContact CG2-CB 4Å; I57-K66 HydrophobicContact CG2-CD 4.38Å; I57-K66 HydrophobicContact CG2-CG 4.06Å; L58-K66 CarbonylContact O-C 3.51Å; L58-K66 WeakPolarHBondContact O-CA 3.26Å; N59-K66 HydrophobicContact CB-CG 4.23Å; N59-K66 WeakPolarHBondContact OD1-CG 3.27Å; K66-L68 HydrophobicContact CB-CD1 3.87Å; K66-E80 HydrophobicContact CB-CB 4.25Å; K66-E80 VanDerWaalsContact CD-OE2 3.25Å; K66-E80 WeakPolarHBondContact CD-OE2 3.06Å; K66-E80 PolarHBondContact N-O 2.9Å; K66-E80 IonicContact NZ-OE2 3.45Å; K66-E80 PolarHBondContact O-N 3.33Å; K66-Y82 HydrophobicContact CD-CD1 3.95Å; K66-Y82 HydrophobicContact CD-CE1 4.29Å; K66-Y82 HydrophobicContact CG-CD1 3.81Å; K66-Y82 HydrophobicContact CG-CE1 3.83Å
67L98.8Very high97.4Very high0 Ų025.1 Ų25.10%013%0.127CC..EExtended strand (participates in β ladder)trans-110113.5172.7-53177.4000107.4F19 I57 L58 L60 I65 F69 L76 I79F19-L67 HydrophobicContact CB-CD1 4.46Å; F19-L67 HydrophobicContact CB-CD2 4.13Å; F19-L67 HydrophobicContact CD1-CD1 3.64Å; F19-L67 HydrophobicContact CD2-CD1 3.98Å; F19-L67 HydrophobicContact CD2-CD2 4.11Å; F19-L67 HydrophobicContact CE1-CD1 3.77Å; F19-L67 HydrophobicContact CE2-CD1 4.09Å; F19-L67 HydrophobicContact CG-CD1 3.76Å; F19-L67 HydrophobicContact CG-CD2 4.09Å; F19-L67 HydrophobicContact CZ-CD1 4Å; I57-L67 WeakPolarHBondContact CA-O 3.42Å; L58-L67 HydrophobicContact CB-CB 4.15Å; L58-L67 HydrophobicContact CB-CD1 4.34Å; L58-L67 HydrophobicContact CD1-CD1 4.33Å; L58-L67 PolarHBondContact N-O 3.1Å; L58-L67 PolarHBondContact O-N 3.05Å; L60-L67 HydrophobicContact CD1-CD1 4.36Å; L60-L67 HydrophobicContact CD1-CG 4.46Å; I65-L67 HydrophobicContact CG2-CD2 4.04Å; L67-F69 HydrophobicContact CB-CD2 4.38Å; L67-F69 HydrophobicContact CB-CE2 3.57Å; L67-F69 HydrophobicContact CB-CZ 4.18Å; L67-F69 WeakPolarHBondContact O-CD2 3.43Å; L67-L76 HydrophobicContact CB-CD1 3.72Å; L67-L76 HydrophobicContact CD2-CD1 4.37Å; L67-L76 HydrophobicContact CD2-CD2 4.38Å; L67-I79 HydrophobicContact CD2-CB 4.33Å; L67-I79 HydrophobicContact CD2-CG1 3.93Å; L67-I79 HydrophobicContact CD2-CG2 3.9Å
68L98.7Very high97.4Very high30 Ų3023.6 Ų23.616%0.15712%0.119CC..EExtended strand (participates in β ladder)trans-98.7115.5-177.4-69.371.1000108.6D55 I57 K66 K77 V78 E80D55-L68 HydrophobicContact CB-CB 4.39Å; I57-L68 HydrophobicContact CG1-CG 4.31Å; K66-L68 HydrophobicContact CB-CD1 3.87Å; L68-K77 WeakPolarHBondContact O-CA 3.35Å; L68-K77 WeakPolarHBondContact O-CB 3.45Å; L68-K77 PolarHBondContact O-N 2.95Å; L68-V78 HydrophobicContact CB-CB 4.18Å; L68-V78 HydrophobicContact CD2-CB 4.48Å; L68-V78 PolarHBondContact N-O 3.28Å; L68-V78 PolarHBondContact O-N 2.93Å; L68-E80 HydrophobicContact CD1-CB 4.14Å
69F98.6Very high97.4Very high0 Ų023.6 Ų23.60%012%0.119CC..EExtended strand (participates in β ladder)trans-101134178.6-64.3-100.4000109.9F25 A28 D55 L56 L58 L67 A71 R75 L76F25-F69 VanDerWaalsContact CA-CE1 3.42Å; F25-F69 HydrophobicContact CB-CD1 3.82Å; F25-F69 HydrophobicContact CB-CE1 4.07Å; F25-F69 HydrophobicContact CB-CG 4.3Å; F25-F69 HydrophobicContact CD2-CB 4.45Å; F25-F69 HydrophobicContact CD2-CD1 4.06Å; F25-F69 AromaticContact CD2-CD2 3.67Å; F25-F69 HydrophobicContact CD2-CD2 3.67Å; F25-F69 HydrophobicContact CD2-CE1 4.25Å; F25-F69 AromaticContact CD2-CE2 3.85Å; F25-F69 HydrophobicContact CD2-CE2 3.85Å; F25-F69 AromaticContact CD2-CG 3.79Å; F25-F69 HydrophobicContact CD2-CG 3.79Å; F25-F69 HydrophobicContact CD2-CZ 4.16Å; F25-F69 HydrophobicContact CE2-CD2 4.28Å; F25-F69 HydrophobicContact CE2-CE2 4.4Å; F25-F69 HydrophobicContact CG-CD1 4.46Å; A28-F69 HydrophobicContact CB-CE1 4.13Å; A28-F69 HydrophobicContact CB-CZ 3.52Å; D55-F69 CarbonylContact C-O 3.59Å; D55-F69 VanDerWaalsContact CA-O 3.29Å; D55-F69 WeakPolarHBondContact CA-O 3.09Å; D55-F69 VanDerWaalsContact CB-O 3.24Å; D55-F69 WeakPolarHBondContact CB-O 3.47Å; L56-F69 HydrophobicContact CB-CB 4.18Å; L56-F69 PolarHBondContact N-O 2.85Å; L56-F69 WeakPolarHBondContact O-CB 3.46Å; L56-F69 WeakPolarHBondContact O-CD2 3.3Å; L56-F69 PolarHBondContact O-N 3.03Å; L58-F69 HydrophobicContact CB-CE2 4.39Å; L58-F69 HydrophobicContact CD1-CE2 3.66Å; L58-F69 HydrophobicContact CD1-CZ 4.01Å; L58-F69 HydrophobicContact CG-CD2 4.48Å; L58-F69 HydrophobicContact CG-CE2 3.82Å; L67-F69 HydrophobicContact CB-CD2 4.38Å; L67-F69 HydrophobicContact CB-CE2 3.57Å; L67-F69 HydrophobicContact CB-CZ 4.18Å; L67-F69 WeakPolarHBondContact O-CD2 3.43Å; F69-A71 PolarHBondContact O-N 3.26Å; F69-R75 CarbonylContact C-O 3.52Å; F69-R75 VanDerWaalsContact CA-O 3.3Å; F69-R75 WeakPolarHBondContact CA-O 3.1Å; F69-L76 HydrophobicContact CD1-CB 4.05Å; F69-L76 VanDerWaalsContact CD1-N 3.31Å; F69-L76 HydrophobicContact CD2-CD1 4.39Å; F69-L76 HydrophobicContact CE1-CB 3.69Å; F69-L76 HydrophobicContact CE1-CD1 4.25Å; F69-L76 HydrophobicContact CE1-CG 4.47Å; F69-L76 HydrophobicContact CE2-CD1 4.09Å; F69-L76 HydrophobicContact CZ-CB 4.2Å; F69-L76 HydrophobicContact CZ-CD1 3.98Å
70D97.3Very high97.4Very high25 Ų2523.8 Ų23.813%0.13412%0.119CC..  trans-58.1132.9176.9-179.7-85.7000111.2T72 N73 Q74 R75 K77 A173D70-T72 PolarHBondContact O-N 2.74Å; D70-T72 WeakPolarHBondContact OD1-CA 3.27Å; D70-T72 WeakPolarHBondContact OD1-CB 3.35Å; D70-T72 PolarHBondContact OD1-N 3.49Å; D70-T72 PolarHBondContact OD1-OG1 3.02Å; D70-N73 WeakPolarHBondContact CB-OD1 2.87Å; D70-N73 PolarHBondContact OD1-N 2.92Å; D70-N73 PolarHBondContact OD1-ND2 2.87Å; D70-Q74 WeakPolarHBondContact O-CA 3.28Å; D70-Q74 PolarHBondContact O-N 3.01Å; D70-R75 PolarHBondContact N-O 2.81Å; D70-K77 HydrophobicContact CB-CB 4.49Å; D70-K77 HydrophobicContact CB-CD 4.47Å; D70-A173 HydrophobicContact CB-CB 3.84Å
71A94.7Very high97.5Very high10 Ų1023.8 Ų23.88%0.08312%0.119CC..THydrogen-bonded Turntrans-62.2-29.6-174.700000113.9P51 L52 H54 F69P51-A71 WeakPolarHBondContact O-CB 3.4Å; L52-A71 WeakPolarHBondContact O-CB 3.35Å; H54-A71 WeakPolarHBondContact O-CB 3.5Å; F69-A71 PolarHBondContact O-N 3.26Å
72T93.5Very high97.5Very high56 Ų5624.8 Ų24.834%0.34412%0.12SC..THydrogen-bonded Turntrans-89.4-51.5-173.166.50000112.1D70 R313 Y339D70-T72 PolarHBondContact O-N 2.74Å; D70-T72 WeakPolarHBondContact OD1-CA 3.27Å; D70-T72 WeakPolarHBondContact OD1-CB 3.35Å; D70-T72 PolarHBondContact OD1-N 3.49Å; D70-T72 PolarHBondContact OD1-OG1 3.02Å; T72-R313 WeakPolarHBondContact O-CD 3.34Å; T72-R313 PolarHBondContact O-NE 2.9Å; T72-R313 VanDerWaalsContact O-NE 3.16Å; T72-Y339 HydrophobicContact CG2-CE1 4.42Å; T72-Y339 PolarHBondContact O-OH 2.82Å
73N93.8Very high97.5Very high62 Ų6222.4 Ų22.433%0.33211%0.11SC..THydrogen-bonded Turntrans-100.7-7-175.464.354.4000113.5D70 R75D70-N73 WeakPolarHBondContact CB-OD1 2.87Å; D70-N73 PolarHBondContact OD1-N 2.92Å; D70-N73 PolarHBondContact OD1-ND2 2.87Å; N73-R75 PolarHBondContact O-N 2.91Å; N73-R75 VanDerWaalsContact OD1-CB 3.23Å; N73-R75 WeakPolarHBondContact OD1-CB 3.46Å; N73-R75 WeakPolarHBondContact OD1-CG 3.24Å; N73-R75 PolarHBondContact OD1-N 2.77Å
74Q96.6Very high97.4Very high13 Ų1322.4 Ų22.46%0.06111%0.11CC..  trans5732.6175.5-60.8175.7-32.300113.7F25 D70 N301F25-Q74 HydrophobicContact CB-CB 4.48Å; F25-Q74 PolarHBondContact N-O 3.36Å; D70-Q74 WeakPolarHBondContact O-CA 3.28Å; D70-Q74 PolarHBondContact O-N 3.01Å; Q74-N301 PolarHBondContact NE2-O 3.31Å; Q74-N301 PolarHBondContact OE1-ND2 2.89Å
75R97.5Very high97.3Very high58 Ų5826.7 Ų26.722%0.21914%0.14CC..BIsolated β-bridgetrans-103.6148.8173.3-61.8177.7-177170.92111.1G22 M23 F69 D70 N73 K77 A173G22-R75 WeakPolarHBondContact O-CD 3.24Å; G22-R75 WeakPolarHBondContact O-CG 3.49Å; M23-R75 CarbonylContact O-C 3.58Å; M23-R75 WeakPolarHBondContact O-CA 3.5Å; F69-R75 CarbonylContact C-O 3.52Å; F69-R75 VanDerWaalsContact CA-O 3.3Å; F69-R75 WeakPolarHBondContact CA-O 3.1Å; D70-R75 PolarHBondContact N-O 2.81Å; N73-R75 PolarHBondContact O-N 2.91Å; N73-R75 VanDerWaalsContact OD1-CB 3.23Å; N73-R75 WeakPolarHBondContact OD1-CB 3.46Å; N73-R75 WeakPolarHBondContact OD1-CG 3.24Å; N73-R75 PolarHBondContact OD1-N 2.77Å; R75-K77 PolarHBondContact O-N 3.08Å; R75-K77 VanDerWaalsContact O-N 3.14Å; R75-A173 HydrophobicContact CB-CB 3.93Å
76L98.7Very high97.2Very high0 Ų030.2 Ų30.20%016%0.155CC..EExtended strand (participates in β ladder)trans-61.2115.8179.2-175.753.1000109.9F19 A20 L21 G22 M23 L67 F69 V78 I79F19-L76 HydrophobicContact CB-CD2 3.97Å; A20-L76 WeakPolarHBondContact O-CD2 3.43Å; L21-L76 HydrophobicContact CD2-CG 4.21Å; G22-L76 PolarHBondContact N-O 3.21Å; M23-L76 PolarHBondContact O-N 2.82Å; L67-L76 HydrophobicContact CB-CD1 3.72Å; L67-L76 HydrophobicContact CD2-CD1 4.37Å; L67-L76 HydrophobicContact CD2-CD2 4.38Å; F69-L76 HydrophobicContact CD1-CB 4.05Å; F69-L76 VanDerWaalsContact CD1-N 3.31Å; F69-L76 HydrophobicContact CD2-CD1 4.39Å; F69-L76 HydrophobicContact CE1-CB 3.69Å; F69-L76 HydrophobicContact CE1-CD1 4.25Å; F69-L76 HydrophobicContact CE1-CG 4.47Å; F69-L76 HydrophobicContact CE2-CD1 4.09Å; F69-L76 HydrophobicContact CZ-CB 4.2Å; F69-L76 HydrophobicContact CZ-CD1 3.98Å; L76-V78 WeakPolarHBondContact CD1-O 3.46Å; L76-I79 HydrophobicContact CD1-CG1 4.28Å; L76-I79 HydrophobicContact CD2-CD1 3.99Å; L76-I79 HydrophobicContact CD2-CG1 3.84Å; L76-I79 HydrophobicContact CG-CG1 4.22Å
77K98Very high97.1Very high34 Ų3427.5 Ų27.515%0.14814%0.144CC..EExtended strand (participates in β ladder)trans-99.4-44-176-174.2176.670.3-174.90111.9D55 L68 D70 R75 T171 A173D55-K77 IonicContact OD1-NZ 3.37Å; D55-K77 PolarHBondContact OD1-NZ 2.95Å; D55-K77 WeakPolarHBondContact OD2-CE 3.15Å; D55-K77 IonicContact OD2-NZ 3.82Å; D55-K77 PolarHBondContact OD2-NZ 2.86Å; L68-K77 WeakPolarHBondContact O-CA 3.35Å; L68-K77 WeakPolarHBondContact O-CB 3.45Å; L68-K77 PolarHBondContact O-N 2.95Å; D70-K77 HydrophobicContact CB-CB 4.49Å; D70-K77 HydrophobicContact CB-CD 4.47Å; R75-K77 PolarHBondContact O-N 3.08Å; R75-K77 VanDerWaalsContact O-N 3.14Å; K77-T171 HydrophobicContact CG-CG2 4.21Å; K77-A173 HydrophobicContact CB-CB 4.03Å; K77-A173 HydrophobicContact CG-CB 4.34Å
78V98.6Very high97.1Very high6 Ų630.7 Ų30.74%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-141141.2-178-177.50000109.8L68 L76 H161 I162 L168 T171L68-V78 HydrophobicContact CB-CB 4.18Å; L68-V78 HydrophobicContact CD2-CB 4.48Å; L68-V78 PolarHBondContact N-O 3.28Å; L68-V78 PolarHBondContact O-N 2.93Å; L76-V78 WeakPolarHBondContact CD1-O 3.46Å; V78-H161 HydrophobicContact CG1-CB 4.19Å; V78-I162 WeakPolarHBondContact CA-O 3.37Å; V78-L168 HydrophobicContact CG1-CD1 3.88Å; V78-L168 HydrophobicContact CG2-CD1 3.92Å; V78-T171 HydrophobicContact CG2-CG2 3.68Å
79I98.8Very high97.1Very high0 Ų029.3 Ų29.30%015%0.15CC..EExtended strand (participates in β ladder)trans-109.3115.5166.5-56.4169.9000107L12 F19 L21 I65 L67 L76 H161 I162L12-I79 HydrophobicContact CB-CD1 3.91Å; L12-I79 HydrophobicContact CB-CG2 4.03Å; L12-I79 HydrophobicContact CD2-CG2 3.68Å; F19-I79 HydrophobicContact CB-CD1 4.22Å; F19-I79 VanDerWaalsContact O-CD1 3.27Å; F19-I79 WeakPolarHBondContact O-CD1 3.48Å; L21-I79 HydrophobicContact CD2-CD1 4.11Å; L21-I79 HydrophobicContact CD2-CG1 3.97Å; I65-I79 HydrophobicContact CG2-CG2 4.23Å; L67-I79 HydrophobicContact CD2-CB 4.33Å; L67-I79 HydrophobicContact CD2-CG1 3.93Å; L67-I79 HydrophobicContact CD2-CG2 3.9Å; L76-I79 HydrophobicContact CD1-CG1 4.28Å; L76-I79 HydrophobicContact CD2-CD1 3.99Å; L76-I79 HydrophobicContact CD2-CG1 3.84Å; L76-I79 HydrophobicContact CG-CG1 4.22Å; I79-H161 CarbonylContact O-C 3.47Å; I79-H161 VanDerWaalsContact O-CA 3.32Å; I79-H161 WeakPolarHBondContact O-CA 3.49Å; I79-I162 HydrophobicContact CB-CB 4.19Å; I79-I162 HydrophobicContact CB-CD1 4.36Å; I79-I162 HydrophobicContact CG2-CD1 4.32Å; I79-I162 PolarHBondContact N-O 3.37Å; I79-I162 PolarHBondContact O-N 2.85Å
80E98.6Very high97.1Very high17 Ų1731.7 Ų31.78%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-103.2128.7176.2176.8-173.3-169.900109.1I65 K66 L68 M160 H161I65-E80 CarbonylContact C-O 3.6Å; I65-E80 VanDerWaalsContact CA-O 3.31Å; I65-E80 WeakPolarHBondContact CA-O 3.27Å; K66-E80 HydrophobicContact CB-CB 4.25Å; K66-E80 VanDerWaalsContact CD-OE2 3.25Å; K66-E80 WeakPolarHBondContact CD-OE2 3.06Å; K66-E80 PolarHBondContact N-O 2.9Å; K66-E80 IonicContact NZ-OE2 3.45Å; K66-E80 PolarHBondContact O-N 3.33Å; L68-E80 HydrophobicContact CD1-CB 4.14Å; E80-M160 CarbonylContact C-O 3.43Å; E80-M160 WeakPolarHBondContact CA-O 3.17Å; E80-H161 IonicContact OE1-NE2 3.66Å
81V98.5Very high97.1Very high0 Ų033.8 Ų33.80%017%0.167CC..EExtended strand (participates in β ladder)trans-102.9101.4163.1-175.30000106.9L12 G64 I65 L84 V87 L89 R159 M160L12-V81 HydrophobicContact CD2-CG2 4.17Å; G64-V81 CarbonylContact O-C 3.52Å; G64-V81 WeakPolarHBondContact O-CA 3.26Å; I65-V81 HydrophobicContact CG1-CG2 4.32Å; V81-L84 HydrophobicContact CG1-CD1 4.26Å; V81-L84 HydrophobicContact CG1-CG 4.08Å; V81-V87 HydrophobicContact CG1-CG1 3.74Å; V81-L89 HydrophobicContact CG1-CD1 4.42Å; V81-R159 CarbonylContact O-C 3.58Å; V81-R159 VanDerWaalsContact O-CA 3.32Å; V81-R159 WeakPolarHBondContact O-CA 3.48Å; V81-M160 HydrophobicContact CB-CB 4.29Å; V81-M160 HydrophobicContact CB-CE 4.32Å; V81-M160 HydrophobicContact CG2-CE 3.63Å; V81-M160 PolarHBondContact N-O 2.84Å; V81-M160 PolarHBondContact O-N 3.16Å
82Y97.3Very high97.2Very high54 Ų5438 Ų3821%0.21220%0.195CC..  trans-92.8-11.9-174.769.1-96.9000113.2N59 T61 G64 K66N59-Y82 WeakPolarHBondContact OD1-CE1 3.05Å; N59-Y82 PolarHBondContact OD1-OH 2.76Å; T61-Y82 WeakPolarHBondContact CA-OH 3.48Å; G64-Y82 VanDerWaalsContact C-CD1 3.48Å; G64-Y82 VanDerWaalsContact O-CD1 3.25Å; G64-Y82 WeakPolarHBondContact O-CD1 3.34Å; G64-Y82 PolarHBondContact O-N 3.32Å; K66-Y82 HydrophobicContact CD-CD1 3.95Å; K66-Y82 HydrophobicContact CD-CE1 4.29Å; K66-Y82 HydrophobicContact CG-CD1 3.81Å; K66-Y82 HydrophobicContact CG-CE1 3.83Å
83D96.7Very high97.3Very high40 Ų4037.8 Ų37.821%0.21420%0.203CC..  trans-14491178-173.5-8000110.4G64 S85 K86G64-D83 PolarHBondContact O-N 3.17Å; D83-S85 PolarHBondContact O-N 3.44Å; D83-S85 WeakPolarHBondContact OD1-CB 3.26Å; D83-S85 PolarHBondContact OD1-N 2.84Å; D83-S85 PolarHBondContact OD1-OG 2.7Å; D83-K86 HydrophobicContact CB-CD 4.27Å; D83-K86 PolarHBondContact O-N 3.43Å; D83-K86 VanDerWaalsContact OD2-CD 3.26Å; D83-K86 WeakPolarHBondContact OD2-CD 3.22Å; D83-K86 WeakPolarHBondContact OD2-CE 3.41Å; D83-K86 IonicContact OD2-NZ 2.76Å; D83-K86 PolarHBondContact OD2-NZ 2.87Å
84L96.3Very high97.4Very high9 Ų939.4 Ų39.45%0.04722%0.216CC..G310 helixtrans-66.4-17.9-177.1-74.583.2000112.9V81 K86 V87 L89 N97 P103 V157V81-L84 HydrophobicContact CG1-CD1 4.26Å; V81-L84 HydrophobicContact CG1-CG 4.08Å; L84-K86 PolarHBondContact O-N 3.18Å; L84-V87 VanDerWaalsContact O-O 3.07Å; L84-L89 HydrophobicContact CD2-CD1 4.43Å; L84-N97 PolarHBondContact O-ND2 3.49Å; L84-P103 HydrophobicContact CB-CG 4.39Å; L84-P103 HydrophobicContact CD2-CB 3.93Å; L84-P103 HydrophobicContact CD2-CG 3.74Å; L84-V157 HydrophobicContact CD1-CG1 3.82Å; L84-V157 HydrophobicContact CD2-CB 3.93Å; L84-V157 HydrophobicContact CD2-CG1 3.61Å; L84-V157 HydrophobicContact CG-CG1 4.4Å
85S95.7Very high97.5Very high91 Ų9141.4 Ų41.464%0.63623%0.225SC*.G310 helixtrans-68.5-15.9178.9760000113.5D83D83-S85 PolarHBondContact O-N 3.44Å; D83-S85 WeakPolarHBondContact OD1-CB 3.26Å; D83-S85 PolarHBondContact OD1-N 2.84Å; D83-S85 PolarHBondContact OD1-OG 2.7Å
86K96.4Very high97.5Very high73 Ų7338.6 Ų38.632%0.31721%0.214SC..G310 helixtrans-101.40.6-174.5-70.4177.3179149.70114.8M1 D83 L84M1-K86 VanDerWaalsContact CG-O 3.23Å; M1-K86 WeakPolarHBondContact CG-O 3.4Å; D83-K86 HydrophobicContact CB-CD 4.27Å; D83-K86 PolarHBondContact O-N 3.43Å; D83-K86 VanDerWaalsContact OD2-CD 3.26Å; D83-K86 WeakPolarHBondContact OD2-CD 3.22Å; D83-K86 WeakPolarHBondContact OD2-CE 3.41Å; D83-K86 IonicContact OD2-NZ 2.76Å; D83-K86 PolarHBondContact OD2-NZ 2.87Å; L84-K86 PolarHBondContact O-N 3.18Å
87V97.1Very high97.4Very high0 Ų039 Ų390%022%0.216CC..EExtended strand (participates in β ladder)trans-143.2145.5-176.360.90000110.8M1 L2 L4 I65 V81 L84 L89 N97M1-V87 PolarHBondContact SD-N 2.98Å; M1-V87 VanDerWaalsContact SD-N 3.38Å; L2-V87 HydrophobicContact CB-CG2 4.29Å; L4-V87 HydrophobicContact CD1-CG2 3.79Å; L4-V87 HydrophobicContact CG-CG2 4.12Å; I65-V87 HydrophobicContact CD1-CG2 4.48Å; V81-V87 HydrophobicContact CG1-CG1 3.74Å; L84-V87 VanDerWaalsContact O-O 3.07Å; V87-L89 HydrophobicContact CG1-CD1 4.26Å; V87-L89 HydrophobicContact CG1-CD2 4.09Å; V87-L89 HydrophobicContact CG1-CG 4.05Å; V87-L89 HydrophobicContact CG2-CD2 3.73Å; V87-L89 HydrophobicContact CG2-CG 4.29Å; V87-N97 PolarHBondContact O-ND2 3.1Å
88K98.2Very high97.4Very high67 Ų6738.3 Ų38.329%0.29122%0.216SC..EExtended strand (participates in β ladder)trans-94132.6165.7-58.4-178.8-178-177.10108.3M1 L2 D3 L4 N97M1-K88 HydrophobicContact CE-CB 4.32Å; M1-K88 HydrophobicContact CE-CD 4.22Å; M1-K88 HydrophobicContact CE-CG 3.22Å; M1-K88 HydrophobicContact CG-CG 4.19Å; L2-K88 PolarHBondContact O-N 2.72Å; D3-K88 HydrophobicContact CB-CB 4.27Å; D3-K88 WeakPolarHBondContact OD1-CB 3.45Å; L4-K88 PolarHBondContact N-O 3.16Å; K88-N97 CarbonylContact C-O 3.57Å; K88-N97 VanDerWaalsContact CA-O 3.31Å; K88-N97 WeakPolarHBondContact CA-O 3.22Å
89L98.4Very high97.1Very high0 Ų046 Ų460%025%0.252CS..EExtended strand (participates in β ladder)trans-123.2137.1-178.6-55.9169.7000110.9L4 V6 L12 V81 L84 V87 H95 F96 N97 M160L4-L89 HydrophobicContact CB-CD2 4.25Å; L4-L89 CarbonylContact O-C 3.58Å; L4-L89 VanDerWaalsContact O-CA 3.32Å; L4-L89 WeakPolarHBondContact O-CA 3.38Å; V6-L89 HydrophobicContact CG2-CB 4.17Å; V6-L89 HydrophobicContact CG2-CD2 4.04Å; L12-L89 HydrophobicContact CD1-CD2 3.9Å; V81-L89 HydrophobicContact CG1-CD1 4.42Å; L84-L89 HydrophobicContact CD2-CD1 4.43Å; V87-L89 HydrophobicContact CG1-CD1 4.26Å; V87-L89 HydrophobicContact CG1-CD2 4.09Å; V87-L89 HydrophobicContact CG1-CG 4.05Å; V87-L89 HydrophobicContact CG2-CD2 3.73Å; V87-L89 HydrophobicContact CG2-CG 4.29Å; L89-H95 WeakPolarHBondContact O-CA 3.37Å; L89-F96 HydrophobicContact CB-CD1 4.22Å; L89-F96 HydrophobicContact CB-CE1 3.46Å; L89-F96 VanDerWaalsContact CB-CE1 3.46Å; L89-F96 HydrophobicContact CB-CE2 4.05Å; L89-F96 HydrophobicContact CB-CZ 3.36Å; L89-F96 HydrophobicContact CD1-CE2 4.05Å; L89-F96 HydrophobicContact CD1-CZ 3.71Å; L89-F96 HydrophobicContact CG-CZ 4.17Å; L89-F96 PolarHBondContact O-N 3.18Å; L89-F96 VanDerWaalsContact O-N 3.08Å; L89-N97 HydrophobicContact CB-CB 4.09Å; L89-N97 HydrophobicContact CD1-CB 4.36Å; L89-N97 HydrophobicContact CG-CB 4.42Å; L89-N97 PolarHBondContact N-O 2.67Å; L89-N97 PolarHBondContact O-N 2.73Å; L89-M160 HydrophobicContact CD1-CE 4.13Å; L89-M160 HydrophobicContact CD1-SD 4.22Å
90K98.2Very high96.9Very high50 Ų5050.5 Ų50.522%0.21729%0.289CS..EExtended strand (participates in β ladder)trans-119.6152.4175.3-65.1173.2-169.4162.30110.7D3 L4 E5 V6 V94 H95D3-K90 VanDerWaalsContact OD1-CE 3.23Å; D3-K90 WeakPolarHBondContact OD1-CE 3.19Å; D3-K90 IonicContact OD1-NZ 2.98Å; D3-K90 VanDerWaalsContact OD2-CE 3.23Å; D3-K90 WeakPolarHBondContact OD2-CE 3.31Å; D3-K90 IonicContact OD2-NZ 3.59Å; D3-K90 PolarHBondContact OD2-NZ 3.11Å; L4-K90 PolarHBondContact O-N 2.82Å; E5-K90 WeakPolarHBondContact OE2-CB 3.41Å; V6-K90 WeakPolarHBondContact CB-O 3.44Å; V6-K90 PolarHBondContact N-O 3.03Å; K90-V94 CarbonylContact C-O 3.56Å; K90-V94 WeakPolarHBondContact CA-O 3.24Å; K90-H95 WeakPolarHBondContact CE-CE1 3.37Å; K90-H95 WeakPolarHBondContact CE-NE2 3.29Å; K90-H95 VanDerWaalsContact CG-CD2 3.47Å; K90-H95 WeakPolarHBondContact CG-CD2 3.46Å
91Y97.9Very high96.8Very high70 Ų7052.2 Ų52.228%0.27530%0.298SS..EExtended strand (participates in β ladder)trans-136.5128.9166.4176.4-115.4000108.6E5 V6 P8 G93 V94 S111 F112E5-Y91 WeakPolarHBondContact OE1-CA 3.41Å; V6-Y91 WeakPolarHBondContact O-CD2 3.5Å; P8-Y91 HydrophobicContact CG-CD2 4.43Å; P8-Y91 HydrophobicContact CG-CE2 3.83Å; Y91-G93 PolarHBondContact O-N 3.41Å; Y91-V94 PolarHBondContact N-O 2.84Å; Y91-V94 PolarHBondContact O-N 3.34Å; Y91-S111 VanDerWaalsContact CD1-O 3.26Å; Y91-S111 WeakPolarHBondContact CD1-O 3.44Å; Y91-S111 WeakPolarHBondContact CE1-O 3.42Å; Y91-F112 AromaticContact CD1-CD1 3.79Å; Y91-F112 HydrophobicContact CD1-CD1 3.79Å; Y91-F112 AromaticContact CD1-CE1 3.61Å; Y91-F112 HydrophobicContact CD1-CE1 3.61Å; Y91-F112 HydrophobicContact CD1-CG 4.45Å; Y91-F112 HydrophobicContact CD1-CZ 4.12Å; Y91-F112 HydrophobicContact CD2-CD1 4.35Å; Y91-F112 AromaticContact CD2-CE1 3.62Å; Y91-F112 HydrophobicContact CD2-CE1 3.62Å; Y91-F112 HydrophobicContact CD2-CZ 4.32Å; Y91-F112 AromaticContact CE1-CD1 3.8Å; Y91-F112 HydrophobicContact CE1-CD1 3.8Å; Y91-F112 AromaticContact CE1-CE1 4Å; Y91-F112 HydrophobicContact CE1-CE1 4Å; Y91-F112 HydrophobicContact CE2-CD1 4.37Å; Y91-F112 HydrophobicContact CE2-CE1 4.02Å; Y91-F112 HydrophobicContact CG-CD1 4.06Å; Y91-F112 AromaticContact CG-CE1 3.39Å; Y91-F112 HydrophobicContact CG-CE1 3.39Å; Y91-F112 AromaticContact CG-CZ 3.79Å; Y91-F112 HydrophobicContact CG-CZ 3.79Å
92C95.7Very high96.6Very high98 Ų9855.7 Ų55.766%0.66232%0.319SS*.THydrogen-bonded Turntrans52.437.6-170.8-65.50000112.3E5 V94E5-C92 WeakPolarHBondContact OE1-CA 3.4Å; E5-C92 PolarHBondContact OE1-N 3.18Å; C92-V94 PolarHBondContact O-N 3.3Å
93G95.6Very high96.5Very high51 Ų5153.4 Ų53.453%0.52631%0.311SS..THydrogen-bonded Turntrans75.3-2.2-178.600000115.8E5 Y91E5-G93 PolarHBondContact OE1-N 3.46Å; E5-G93 PolarHBondContact OE2-N 2.72Å; Y91-G93 PolarHBondContact O-N 3.41Å
94V97.4Very high96.4Very high97 Ų9753 Ų5359%0.58831%0.309SS*.EExtended strand (participates in β ladder)trans-101.6130.7179.6-177.30000110.1K90 Y91 C92 F96K90-V94 CarbonylContact C-O 3.56Å; K90-V94 WeakPolarHBondContact CA-O 3.24Å; Y91-V94 PolarHBondContact N-O 2.84Å; Y91-V94 PolarHBondContact O-N 3.34Å; C92-V94 PolarHBondContact O-N 3.3Å; V94-F96 PolarHBondContact O-N 2.98Å
95H97.9Very high96.2Very high54 Ų5453 Ų5325%0.2531%0.309CS..EExtended strand (participates in β ladder)trans-68.6127.9176.7-74.7106.4000111.7D3 L89 K90 I101D3-H95 IonicContact OD1-CD2 2.77Å; D3-H95 IonicContact OD1-CE1 3.01Å; D3-H95 IonicContact OD1-NE2 3.52Å; D3-H95 PolarHBondContact OD1-NE2 3.38Å; D3-H95 IonicContact OD2-NE2 3.76Å; L89-H95 WeakPolarHBondContact O-CA 3.37Å; K90-H95 WeakPolarHBondContact CE-CE1 3.37Å; K90-H95 WeakPolarHBondContact CE-NE2 3.29Å; K90-H95 VanDerWaalsContact CG-CD2 3.47Å; K90-H95 WeakPolarHBondContact CG-CD2 3.46Å; H95-I101 HydrophobicContact CB-CD1 3.73Å; H95-I101 WeakPolarHBondContact O-CD1 3.45Å
96F97.5Very high96.1Very high0 Ų051.9 Ų51.90%029%0.294CS..EExtended strand (participates in β ladder)trans-112.9-11.6168.772.9-92.7000112.5V6 L89 V94 Q107 I108 S111 F112 F136 M160V6-F96 HydrophobicContact CB-CE1 4.41Å; V6-F96 HydrophobicContact CG2-CE1 3.92Å; V6-F96 HydrophobicContact CG2-CZ 4Å; L89-F96 HydrophobicContact CB-CD1 4.22Å; L89-F96 HydrophobicContact CB-CE1 3.46Å; L89-F96 VanDerWaalsContact CB-CE1 3.46Å; L89-F96 HydrophobicContact CB-CE2 4.05Å; L89-F96 HydrophobicContact CB-CZ 3.36Å; L89-F96 HydrophobicContact CD1-CE2 4.05Å; L89-F96 HydrophobicContact CD1-CZ 3.71Å; L89-F96 HydrophobicContact CG-CZ 4.17Å; L89-F96 PolarHBondContact O-N 3.18Å; L89-F96 VanDerWaalsContact O-N 3.08Å; V94-F96 PolarHBondContact O-N 2.98Å; F96-Q107 HydrophobicContact CB-CG 4.14Å; F96-Q107 WeakPolarHBondContact O-CG 3.16Å; F96-I108 HydrophobicContact CD2-CD1 3.82Å; F96-I108 HydrophobicContact CE2-CD1 4.19Å; F96-S111 WeakPolarHBondContact CB-OG 3.45Å; F96-F112 HydrophobicContact CD1-CE2 4.17Å; F96-F112 HydrophobicContact CD1-CZ 4.12Å; F96-F112 HydrophobicContact CD2-CE2 4.29Å; F96-F112 HydrophobicContact CE1-CE2 4.28Å; F96-F112 AromaticContact CE1-CZ 3.91Å; F96-F112 HydrophobicContact CE1-CZ 3.91Å; F96-F112 HydrophobicContact CE2-CE2 4.41Å; F96-F112 HydrophobicContact CG-CE2 4.17Å; F96-F112 HydrophobicContact CZ-CE2 4.39Å; F96-F112 HydrophobicContact CZ-CZ 4.18Å; F96-F136 HydrophobicContact CE2-CE1 4.16Å; F96-M160 HydrophobicContact CE2-SD 4.41Å; F96-M160 HydrophobicContact CZ-SD 3.96Å
97N97.5Very high96Very high7 Ų750 Ų504%0.03729%0.287CS..EExtended strand (participates in β ladder)trans-143.2120.4174.8176.353000109.8L84 V87 K88 L89 I101 P103L84-N97 PolarHBondContact O-ND2 3.49Å; V87-N97 PolarHBondContact O-ND2 3.1Å; K88-N97 CarbonylContact C-O 3.57Å; K88-N97 VanDerWaalsContact CA-O 3.31Å; K88-N97 WeakPolarHBondContact CA-O 3.22Å; L89-N97 HydrophobicContact CB-CB 4.09Å; L89-N97 HydrophobicContact CD1-CB 4.36Å; L89-N97 HydrophobicContact CG-CB 4.42Å; L89-N97 PolarHBondContact N-O 2.67Å; L89-N97 PolarHBondContact O-N 2.73Å; N97-I101 CarbonylContact C-O 3.58Å; N97-I101 WeakPolarHBondContact CA-O 3.41Å; N97-P103 HydrophobicContact CB-CB 4.15Å; N97-P103 HydrophobicContact CB-CG 4.36Å; N97-P103 VanDerWaalsContact OD1-CD 3.31Å; N97-P103 WeakPolarHBondContact OD1-CD 3.46Å; N97-P103 WeakPolarHBondContact OD1-CG 3.32Å
98S96.8Very high96Very high21 Ų2150 Ų5015%0.14729%0.287CS..SBendtrans-161.5-177.6174.576.40000110.7A100 I101S98-A100 PolarHBondContact O-N 3.08Å; S98-A100 PolarHBondContact OG-N 3.22Å; S98-A100 VanDerWaalsContact OG-N 3.15Å; S98-I101 PolarHBondContact N-O 2.96Å; S98-I101 CarbonylContact O-C 3.58Å; S98-I101 PolarHBondContact O-N 3.1Å; S98-I101 PolarHBondContact OG-N 2.8Å; S98-I101 VanDerWaalsContact OG-N 3.13Å
99Q93.1Very high95.7Very high168 Ų16850.3 Ų50.379%0.78529%0.291SS*.SBendtrans-61.8-23.5172.2-72.5172.8-20.900113.5M1M1-Q99 HydrophobicContact CE-CG 4Å
100A94.3Very high95.6Very high94 Ų9457.7 Ų57.778%0.77733%0.326SS*.SBendtrans-102.8-16.5-179.800000113.3S98S98-A100 PolarHBondContact O-N 3.08Å; S98-A100 PolarHBondContact OG-N 3.22Å; S98-A100 VanDerWaalsContact OG-N 3.15Å
101I95.4Very high95.5Very high52 Ų5256.7 Ų56.727%0.26733%0.325SS..SBendtrans-127.2114.5-174.2-58.7176.7000107.8H95 N97 S98 Q107H95-I101 HydrophobicContact CB-CD1 3.73Å; H95-I101 WeakPolarHBondContact O-CD1 3.45Å; N97-I101 CarbonylContact C-O 3.58Å; N97-I101 WeakPolarHBondContact CA-O 3.41Å; S98-I101 PolarHBondContact N-O 2.96Å; S98-I101 CarbonylContact O-C 3.58Å; S98-I101 PolarHBondContact O-N 3.1Å; S98-I101 PolarHBondContact OG-N 2.8Å; S98-I101 VanDerWaalsContact OG-N 3.13Å; I101-Q107 HydrophobicContact CG2-CG 4.03Å
102V94.3Very high95.4Very high74 Ų7454.7 Ų54.745%0.44832%0.318SS..  trans-87.8135.4-178.5-174.20000109.1T104 M156V102-T104 VanDerWaalsContact C-N 3.26Å; V102-T104 HydrophobicContact CB-CG2 4.34Å; V102-T104 HydrophobicContact CG1-CG2 4.06Å; V102-T104 PolarHBondContact O-N 3.1Å; V102-M156 HydrophobicContact CG1-CE 3.52Å; V102-M156 HydrophobicContact CG1-CG 4.17Å; V102-M156 HydrophobicContact CG1-SD 4.03Å
103P95.5Very high95.2Very high6 Ų651.6 Ų51.64%0.03930%0.302CS..  trans-80.973-179.333.8-35.2000110.3L84 N97 V157L84-P103 HydrophobicContact CB-CG 4.39Å; L84-P103 HydrophobicContact CD2-CB 3.93Å; L84-P103 HydrophobicContact CD2-CG 3.74Å; N97-P103 HydrophobicContact CB-CB 4.15Å; N97-P103 HydrophobicContact CB-CG 4.36Å; N97-P103 VanDerWaalsContact OD1-CD 3.31Å; N97-P103 WeakPolarHBondContact OD1-CD 3.46Å; N97-P103 WeakPolarHBondContact OD1-CG 3.32Å; P103-V157 HydrophobicContact CB-CB 4.15Å; P103-V157 HydrophobicContact CB-CG2 4.18Å; P103-V157 HydrophobicContact CG-CB 4.33Å; P103-V157 WeakPolarHBondContact O-CG2 3.45Å; P103-V157 PolarHBondContact O-N 3.21Å
104T94.6Very high94.7Very high30 Ų3054.1 Ų54.118%0.18432%0.318CS..BIsolated β-bridgetrans-81.9165.717272.40000111.1V102 E106 Q107 I108 A155V102-T104 VanDerWaalsContact C-N 3.26Å; V102-T104 HydrophobicContact CB-CG2 4.34Å; V102-T104 HydrophobicContact CG1-CG2 4.06Å; V102-T104 PolarHBondContact O-N 3.1Å; T104-E106 VanDerWaalsContact C-N 3.25Å; T104-E106 WeakPolarHBondContact CB-OE2 3.39Å; T104-E106 PolarHBondContact O-N 3.1Å; T104-E106 PolarHBondContact OG1-OE2 2.94Å; T104-Q107 WeakPolarHBondContact O-CB 3.14Å; T104-Q107 PolarHBondContact O-N 2.77Å; T104-Q107 VanDerWaalsContact O-N 3.11Å; T104-Q107 PolarHBondContact OG1-N 2.85Å; T104-I108 WeakPolarHBondContact O-CG1 3.46Å; T104-I108 PolarHBondContact O-N 2.62Å; T104-A155 CarbonylContact C-O 3.53Å; T104-A155 VanDerWaalsContact CA-O 3.27Å; T104-A155 WeakPolarHBondContact CA-O 3.43Å
105I92.7Very high94.3Very high10 Ų1051.8 Ų51.85%0.05130%0.304CS..Hα-helixtrans-53.5-41.8174.4-177.659.6000112.4Q107 I108 D109 L129 F138 I151 P152 A155I105-Q107 VanDerWaalsContact C-N 3.33Å; I105-Q107 PolarHBondContact O-N 3.39Å; I105-I108 WeakPolarHBondContact O-CB 3.2Å; I105-I108 PolarHBondContact O-N 3.28Å; I105-I108 VanDerWaalsContact O-N 3.14Å; I105-D109 PolarHBondContact O-N 3.32Å; I105-L129 HydrophobicContact CD1-CD2 3.66Å; I105-F138 HydrophobicContact CB-CE1 4.06Å; I105-F138 HydrophobicContact CB-CZ 4.33Å; I105-F138 HydrophobicContact CD1-CE1 4.34Å; I105-F138 HydrophobicContact CD1-CE2 4.22Å; I105-F138 HydrophobicContact CD1-CZ 3.75Å; I105-I151 HydrophobicContact CB-CG2 4.12Å; I105-I151 HydrophobicContact CD1-CB 4.31Å; I105-I151 HydrophobicContact CD1-CD1 3.69Å; I105-I151 HydrophobicContact CD1-CG2 4.43Å; I105-I151 HydrophobicContact CG1-CB 4.11Å; I105-I151 HydrophobicContact CG1-CD1 4.42Å; I105-I151 HydrophobicContact CG1-CG2 4.11Å; I105-I151 HydrophobicContact CG2-CG2 4.4Å; I105-P152 WeakPolarHBondContact CG2-O 3.36Å; I105-A155 PolarHBondContact N-O 3.38Å
106E93.1Very high93.6Very high67 Ų6756.5 Ų56.531%0.31333%0.326SS..Hα-helixtrans-65.3-39178.4-5682.1178.500111.7T104 I108 D109 Q110 H153 G154T104-E106 VanDerWaalsContact C-N 3.25Å; T104-E106 WeakPolarHBondContact CB-OE2 3.39Å; T104-E106 PolarHBondContact O-N 3.1Å; T104-E106 PolarHBondContact OG1-OE2 2.94Å; E106-I108 VanDerWaalsContact C-N 3.3Å; E106-I108 PolarHBondContact O-N 3.02Å; E106-D109 PolarHBondContact O-N 3.42Å; E106-Q110 VanDerWaalsContact O-CB 3.28Å; E106-Q110 WeakPolarHBondContact O-CB 3.29Å; E106-Q110 PolarHBondContact O-N 2.88Å; E106-H153 VanDerWaalsContact OE1-C 3.28Å; E106-H153 WeakPolarHBondContact OE1-CA 3.24Å; E106-H153 WeakPolarHBondContact OE1-CB 3.3Å; E106-H153 IonicContact OE1-CD2 3.33Å; E106-H153 PolarHBondContact OE1-CD2 2.73Å; E106-H153 IonicContact OE1-CG 3.57Å; E106-G154 PolarHBondContact OE1-N 2.87Å; E106-G154 PolarHBondContact OE2-N 2.86Å
107Q95.6Very high93Very high35 Ų3560.6 Ų60.616%0.16435%0.353CS..Hα-helixtrans-65.1-37.8175.5-177.360.753.200110.9F96 I101 T104 I105 S111F96-Q107 HydrophobicContact CB-CG 4.14Å; F96-Q107 WeakPolarHBondContact O-CG 3.16Å; I101-Q107 HydrophobicContact CG2-CG 4.03Å; T104-Q107 WeakPolarHBondContact O-CB 3.14Å; T104-Q107 PolarHBondContact O-N 2.77Å; T104-Q107 VanDerWaalsContact O-N 3.11Å; T104-Q107 PolarHBondContact OG1-N 2.85Å; I105-Q107 VanDerWaalsContact C-N 3.33Å; I105-Q107 PolarHBondContact O-N 3.39Å; Q107-S111 PolarHBondContact NE2-OG 3.08Å; Q107-S111 VanDerWaalsContact O-CB 3.29Å; Q107-S111 WeakPolarHBondContact O-CB 3.36Å; Q107-S111 PolarHBondContact O-N 2.86Å; Q107-S111 PolarHBondContact O-OG 2.79Å
108I95.6Very high92.3Very high0 Ų060.7 Ų60.70%036%0.355CS..Hα-helixtrans-65.9-47.8174.6-63.6-48.2000110.6F96 T104 I105 E106 Q110 S111 F112 L129 F131 F136 F138 V157F96-I108 HydrophobicContact CD2-CD1 3.82Å; F96-I108 HydrophobicContact CE2-CD1 4.19Å; T104-I108 WeakPolarHBondContact O-CG1 3.46Å; T104-I108 PolarHBondContact O-N 2.62Å; I105-I108 WeakPolarHBondContact O-CB 3.2Å; I105-I108 PolarHBondContact O-N 3.28Å; I105-I108 VanDerWaalsContact O-N 3.14Å; E106-I108 VanDerWaalsContact C-N 3.3Å; E106-I108 PolarHBondContact O-N 3.02Å; I108-Q110 VanDerWaalsContact C-N 3.32Å; I108-Q110 PolarHBondContact O-N 3.28Å; I108-S111 PolarHBondContact O-N 2.88Å; I108-S111 VanDerWaalsContact O-N 3.1Å; I108-F112 HydrophobicContact CD1-CD2 4.39Å; I108-F112 HydrophobicContact CD1-CE2 4.18Å; I108-F112 HydrophobicContact CG2-CD2 4.03Å; I108-F112 WeakPolarHBondContact O-CD2 3.41Å; I108-F112 PolarHBondContact O-N 3.48Å; I108-L129 HydrophobicContact CG2-CD2 4.07Å; I108-F131 HydrophobicContact CG2-CE2 4.01Å; I108-F131 HydrophobicContact CG2-CZ 4.18Å; I108-F136 HydrophobicContact CD1-CD1 4.03Å; I108-F136 HydrophobicContact CD1-CE1 3.64Å; I108-F136 HydrophobicContact CD1-CE2 4.27Å; I108-F136 HydrophobicContact CD1-CG 4.48Å; I108-F136 HydrophobicContact CD1-CZ 3.77Å; I108-F136 HydrophobicContact CG1-CD1 4.38Å; I108-F136 HydrophobicContact CG1-CE1 4.43Å; I108-F136 HydrophobicContact CG1-CG 4.43Å; I108-F136 HydrophobicContact CG2-CD2 3.64Å; I108-F136 HydrophobicContact CG2-CE2 3.63Å; I108-F136 HydrophobicContact CG2-CG 4.25Å; I108-F136 HydrophobicContact CG2-CZ 4.25Å; I108-F138 HydrophobicContact CG1-CZ 4.39Å; I108-V157 HydrophobicContact CD1-CG2 4.04Å; I108-V157 HydrophobicContact CG1-CG2 3.69Å
109D93.4Very high91.8Very high73 Ų7363.8 Ų63.839%0.3937%0.373SS..Hα-helixtrans-61.2-40.5177.9-70.8-19.4000111.8I105 E106 S111 G113I105-D109 PolarHBondContact O-N 3.32Å; E106-D109 PolarHBondContact O-N 3.42Å; D109-S111 VanDerWaalsContact C-N 3.32Å; D109-S111 PolarHBondContact O-N 2.8Å; D109-G113 WeakPolarHBondContact O-CA 3.39Å; D109-G113 PolarHBondContact O-N 3.01Å
110Q95.1Very high91.5Very high155 Ų15558.8 Ų58.872%0.72435%0.348SS*.Hα-helixtrans-64.3-36.4175.2-175-1808.800112.3E106 I108E106-Q110 VanDerWaalsContact O-CB 3.28Å; E106-Q110 WeakPolarHBondContact O-CB 3.29Å; E106-Q110 PolarHBondContact O-N 2.88Å; I108-Q110 VanDerWaalsContact C-N 3.32Å; I108-Q110 PolarHBondContact O-N 3.28Å
111S96.3Very high91Very high28 Ų2856.2 Ų56.220%0.19632%0.321CS..Hα-helixtrans-85.5-39.4-173.8-53.50000112.6Y91 F96 Q107 I108 D109Y91-S111 VanDerWaalsContact CD1-O 3.26Å; Y91-S111 WeakPolarHBondContact CD1-O 3.44Å; Y91-S111 WeakPolarHBondContact CE1-O 3.42Å; F96-S111 WeakPolarHBondContact CB-OG 3.45Å; Q107-S111 PolarHBondContact NE2-OG 3.08Å; Q107-S111 VanDerWaalsContact O-CB 3.29Å; Q107-S111 WeakPolarHBondContact O-CB 3.36Å; Q107-S111 PolarHBondContact O-N 2.86Å; Q107-S111 PolarHBondContact O-OG 2.79Å; I108-S111 PolarHBondContact O-N 2.88Å; I108-S111 VanDerWaalsContact O-N 3.1Å; D109-S111 VanDerWaalsContact C-N 3.32Å; D109-S111 PolarHBondContact O-N 2.8Å
112F95.3Very high90.4Very high29 Ų2956.7 Ų56.713%0.12733%0.333CS..Hα-helixtrans-111.9-10.3-171.2-63.1-84.4000113.7Y91 F96 I108 F131 L134 F136Y91-F112 AromaticContact CD1-CD1 3.79Å; Y91-F112 HydrophobicContact CD1-CD1 3.79Å; Y91-F112 AromaticContact CD1-CE1 3.61Å; Y91-F112 HydrophobicContact CD1-CE1 3.61Å; Y91-F112 HydrophobicContact CD1-CG 4.45Å; Y91-F112 HydrophobicContact CD1-CZ 4.12Å; Y91-F112 HydrophobicContact CD2-CD1 4.35Å; Y91-F112 AromaticContact CD2-CE1 3.62Å; Y91-F112 HydrophobicContact CD2-CE1 3.62Å; Y91-F112 HydrophobicContact CD2-CZ 4.32Å; Y91-F112 AromaticContact CE1-CD1 3.8Å; Y91-F112 HydrophobicContact CE1-CD1 3.8Å; Y91-F112 AromaticContact CE1-CE1 4Å; Y91-F112 HydrophobicContact CE1-CE1 4Å; Y91-F112 HydrophobicContact CE2-CD1 4.37Å; Y91-F112 HydrophobicContact CE2-CE1 4.02Å; Y91-F112 HydrophobicContact CG-CD1 4.06Å; Y91-F112 AromaticContact CG-CE1 3.39Å; Y91-F112 HydrophobicContact CG-CE1 3.39Å; Y91-F112 AromaticContact CG-CZ 3.79Å; Y91-F112 HydrophobicContact CG-CZ 3.79Å; F96-F112 HydrophobicContact CD1-CE2 4.17Å; F96-F112 HydrophobicContact CD1-CZ 4.12Å; F96-F112 HydrophobicContact CD2-CE2 4.29Å; F96-F112 HydrophobicContact CE1-CE2 4.28Å; F96-F112 AromaticContact CE1-CZ 3.91Å; F96-F112 HydrophobicContact CE1-CZ 3.91Å; F96-F112 HydrophobicContact CE2-CE2 4.41Å; F96-F112 HydrophobicContact CG-CE2 4.17Å; F96-F112 HydrophobicContact CZ-CE2 4.39Å; F96-F112 HydrophobicContact CZ-CZ 4.18Å; I108-F112 HydrophobicContact CD1-CD2 4.39Å; I108-F112 HydrophobicContact CD1-CE2 4.18Å; I108-F112 HydrophobicContact CG2-CD2 4.03Å; I108-F112 WeakPolarHBondContact O-CD2 3.41Å; I108-F112 PolarHBondContact O-N 3.48Å; F112-F131 HydrophobicContact CB-CD1 4.15Å; F112-F131 HydrophobicContact CB-CE1 3.58Å; F112-F131 HydrophobicContact CB-CE2 4.25Å; F112-F131 HydrophobicContact CB-CZ 3.65Å; F112-L134 HydrophobicContact CD1-CD2 3.56Å; F112-L134 HydrophobicContact CE1-CD2 3.3Å; F112-L134 HydrophobicContact CE2-CD2 4.46Å; F112-L134 HydrophobicContact CG-CD2 4.25Å; F112-L134 HydrophobicContact CZ-CD2 3.8Å; F112-F136 AromaticContact CD2-CE2 3.94Å; F112-F136 HydrophobicContact CD2-CE2 3.94Å; F112-F136 AromaticContact CD2-CZ 3.9Å; F112-F136 HydrophobicContact CD2-CZ 3.9Å; F112-F136 HydrophobicContact CE2-CE2 4.03Å; F112-F136 AromaticContact CE2-CZ 3.5Å; F112-F136 HydrophobicContact CE2-CZ 3.5Å; F112-F136 VanDerWaalsContact CE2-CZ 3.5Å; F112-F136 HydrophobicContact CG-CE2 4.34Å; F112-F136 HydrophobicContact CZ-CE2 4.47Å; F112-F136 AromaticContact CZ-CZ 3.84Å; F112-F136 HydrophobicContact CZ-CZ 3.84Å
113G92Very high89.9Confident32 Ų3257.8 Ų57.833%0.3335%0.349SS..  trans79.3-171.6179.700000113.6D109 F131D109-G113 WeakPolarHBondContact O-CA 3.39Å; D109-G113 PolarHBondContact O-N 3.01Å; G113-F131 WeakPolarHBondContact O-CE1 3.45Å
114A86.4Confident89.3Confident104 Ų10462.1 Ų62.186%0.8637%0.369SS*.  trans-70.3146.3-17900000112.2
115T88.3Confident88.8Confident48 Ų4866.1 Ų66.129%0.29439%0.386SS..  trans-142.6-178.9174-167.10000111.9L129 N130 F131T115-L129 HydrophobicContact CG2-CD1 3.46Å; T115-L129 VanDerWaalsContact CG2-CD1 3.46Å; T115-L129 HydrophobicContact CG2-CD2 4.26Å; T115-L129 HydrophobicContact CG2-CG 3.69Å; T115-N130 WeakPolarHBondContact CG2-O 3.48Å; T115-N130 PolarHBondContact OG1-O 2.83Å; T115-F131 HydrophobicContact CG2-CD1 4.16Å; T115-F131 HydrophobicContact CG2-CD2 4.43Å; T115-F131 HydrophobicContact CG2-CE1 3.74Å; T115-F131 HydrophobicContact CG2-CE2 4.02Å; T115-F131 HydrophobicContact CG2-CG 4.49Å; T115-F131 HydrophobicContact CG2-CZ 3.65Å
116H83.6Confident88.6Confident153 Ų15365.9 Ų65.971%0.70838%0.384SS*.SBendtrans-60.8153.1175.2-68.8-68000111.8G118H116-G118 PolarHBondContact O-N 2.77Å
117P83.7Confident88.4Confident87 Ų8762.8 Ų62.857%0.56537%0.37SS*.PPolyproline II helixtrans-52.1135.8175.9-2533.8000111Y149P117-Y149 HydrophobicContact CB-CD1 4.34Å
118G82.9Confident88.2Confident9 Ų962.4 Ų62.49%0.09337%0.368CS..PPolyproline II helixtrans-70.3159.4179.700000112H116 F127 H128H116-G118 PolarHBondContact O-N 2.77Å; G118-F127 VanDerWaalsContact C-CZ 3.47Å; G118-F127 VanDerWaalsContact O-CZ 3.24Å; G118-F127 WeakPolarHBondContact O-CZ 3.49Å; G118-H128 CarbonylContact C-O 3.47Å; G118-H128 WeakPolarHBondContact CA-O 3.24Å
119V87.4Confident88Confident86 Ų8663 Ų6352%0.52137%0.371SS..EExtended strand (participates in β ladder)trans-114.9124.3-172.1-178.40000108.9H128V119-H128 PolarHBondContact N-O 3.05Å; V119-H128 PolarHBondContact O-N 3.41Å
120Y85.9Confident88Confident63 Ų6362 Ų6225%0.24737%0.365CS..EExtended strand (participates in β ladder)trans-80.8127.4175.2-176-116.6000111.4A122 Q125 L126 F127 L140 A146Y120-A122 HydrophobicContact CD1-CB 4.44Å; Y120-A122 HydrophobicContact CE1-CB 3.96Å; Y120-Q125 PolarHBondContact OH-NE2 2.86Å; Y120-Q125 PolarHBondContact OH-OE1 3.44Å; Y120-L126 WeakPolarHBondContact CD2-O 3.47Å; Y120-F127 HydrophobicContact CD2-CB 4.41Å; Y120-F127 AromaticContact CD2-CD2 3.96Å; Y120-F127 HydrophobicContact CD2-CD2 3.96Å; Y120-F127 HydrophobicContact CG-CD2 4.3Å; Y120-L140 HydrophobicContact CD2-CD1 3.96Å; Y120-L140 HydrophobicContact CE2-CD1 3.71Å; Y120-A146 HydrophobicContact CD1-CB 4.03Å; Y120-A146 HydrophobicContact CE1-CB 4.03Å
121N84.3Confident87.9Confident39 Ų3955.8 Ų55.821%0.20934%0.336CS..EExtended strand (participates in β ladder)trans-105103.8172.7-175.6-16000109.9A123 E124 Q125 L126 H128N121-A123 VanDerWaalsContact C-N 3.27Å; N121-A123 PolarHBondContact O-N 3.01Å; N121-A123 WeakPolarHBondContact OD1-CB 3.21Å; N121-A123 PolarHBondContact OD1-N 2.85Å; N121-E124 HydrophobicContact CB-CB 4.48Å; N121-E124 PolarHBondContact O-N 3.17Å; N121-E124 PolarHBondContact OD1-N 3.16Å; N121-Q125 WeakPolarHBondContact O-CA 3.28Å; N121-Q125 PolarHBondContact O-N 2.86Å; N121-L126 PolarHBondContact N-O 2.84Å; N121-L126 PolarHBondContact O-N 2.64Å; N121-H128 VanDerWaalsContact CB-NE2 3.33Å; N121-H128 WeakPolarHBondContact CB-NE2 3.44Å
122A82.8Confident87.8Confident63 Ų6361.2 Ų61.252%0.52135%0.353SS..THydrogen-bonded Turntrans-65.6-25.6-179.300000113.7Y120 Q125Y120-A122 HydrophobicContact CD1-CB 4.44Å; Y120-A122 HydrophobicContact CE1-CB 3.96Å; A122-Q125 PolarHBondContact O-NE2 3.22Å
123A84.1Confident87.7Confident96 Ų9659.9 Ų59.979%0.79335%0.347SS*.THydrogen-bonded Turntrans-72.4-36.7178.400000111.6N121N121-A123 VanDerWaalsContact C-N 3.27Å; N121-A123 PolarHBondContact O-N 3.01Å; N121-A123 WeakPolarHBondContact OD1-CB 3.21Å; N121-A123 PolarHBondContact OD1-N 2.85Å
124E82.1Confident87.9Confident97 Ų9758.3 Ų58.345%0.45333%0.331SS..THydrogen-bonded Turntrans-92.7-13.6179.3-62.8-171.5176.700113.1N121 L126 H128N121-E124 HydrophobicContact CB-CB 4.48Å; N121-E124 PolarHBondContact O-N 3.17Å; N121-E124 PolarHBondContact OD1-N 3.16Å; E124-L126 HydrophobicContact CB-CB 4.07Å; E124-L126 HydrophobicContact CB-CD1 4.09Å; E124-L126 HydrophobicContact CB-CG 3.97Å; E124-L126 PolarHBondContact O-N 2.92Å; E124-H128 IonicContact OE2-CE1 3.5Å; E124-H128 PolarHBondContact OE2-CE1 3.08Å; E124-H128 IonicContact OE2-NE2 3.53Å
125Q84.8Confident88.4Confident115 Ų11553.4 Ų53.454%0.53729%0.29SS..THydrogen-bonded Turntrans53.836.3-167.9-58.1-74.5-6100111.5Y120 N121 A122Y120-Q125 PolarHBondContact OH-NE2 2.86Å; Y120-Q125 PolarHBondContact OH-OE1 3.44Å; N121-Q125 WeakPolarHBondContact O-CA 3.28Å; N121-Q125 PolarHBondContact O-N 2.86Å; A122-Q125 PolarHBondContact O-NE2 3.22Å
126L87.6Confident88.7Confident5 Ų551.1 Ų51.13%0.02628%0.276CS..EExtended strand (participates in β ladder)trans-119.7142-179.3-66.6-179.7000110.5Y120 N121 E124 F138 Q139Y120-L126 WeakPolarHBondContact CD2-O 3.47Å; N121-L126 PolarHBondContact N-O 2.84Å; N121-L126 PolarHBondContact O-N 2.64Å; E124-L126 HydrophobicContact CB-CB 4.07Å; E124-L126 HydrophobicContact CB-CD1 4.09Å; E124-L126 HydrophobicContact CB-CG 3.97Å; E124-L126 PolarHBondContact O-N 2.92Å; L126-F138 WeakPolarHBondContact CA-O 3.34Å; L126-F138 WeakPolarHBondContact CD2-O 3.36Å; L126-Q139 HydrophobicContact CD2-CB 3.96Å; L126-Q139 HydrophobicContact CD2-CG 4.44Å
127F89.1Confident89.2Confident1 Ų143.9 Ų43.90%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-99.5125.7170.4-156.7-83.5000109.3G118 Y120 S137 F138 L140 P147 I151G118-F127 VanDerWaalsContact C-CZ 3.47Å; G118-F127 VanDerWaalsContact O-CZ 3.24Å; G118-F127 WeakPolarHBondContact O-CZ 3.49Å; Y120-F127 HydrophobicContact CD2-CB 4.41Å; Y120-F127 AromaticContact CD2-CD2 3.96Å; Y120-F127 HydrophobicContact CD2-CD2 3.96Å; Y120-F127 HydrophobicContact CG-CD2 4.3Å; F127-S137 CarbonylContact O-C 3.43Å; F127-S137 VanDerWaalsContact O-CA 3.31Å; F127-S137 WeakPolarHBondContact O-CA 3.15Å; F127-F138 PolarHBondContact N-O 2.94Å; F127-F138 PolarHBondContact O-N 2.81Å; F127-L140 HydrophobicContact CB-CD1 4.3Å; F127-L140 HydrophobicContact CB-CD2 4.26Å; F127-P147 HydrophobicContact CD2-CG 3.91Å; F127-P147 HydrophobicContact CE2-CB 4.38Å; F127-P147 HydrophobicContact CE2-CG 3.84Å; F127-I151 HydrophobicContact CD1-CD1 3.53Å; F127-I151 HydrophobicContact CD1-CG1 3.19Å; F127-I151 HydrophobicContact CE1-CD1 3.78Å; F127-I151 HydrophobicContact CE1-CG1 3.29Å; F127-I151 HydrophobicContact CG-CG1 4.01Å; F127-I151 HydrophobicContact CZ-CG1 4.23Å
128H90.8Very high89.7Confident27 Ų2739.8 Ų39.813%0.12522%0.216CC..EExtended strand (participates in β ladder)trans-106.4120.1-175.2-56.7-75.7000111.1G118 V119 N121 E124 F136 S137G118-H128 CarbonylContact C-O 3.47Å; G118-H128 WeakPolarHBondContact CA-O 3.24Å; V119-H128 PolarHBondContact N-O 3.05Å; V119-H128 PolarHBondContact O-N 3.41Å; N121-H128 VanDerWaalsContact CB-NE2 3.33Å; N121-H128 WeakPolarHBondContact CB-NE2 3.44Å; E124-H128 IonicContact OE2-CE1 3.5Å; E124-H128 PolarHBondContact OE2-CE1 3.08Å; E124-H128 IonicContact OE2-NE2 3.53Å; H128-F136 CarbonylContact C-O 3.46Å; H128-F136 WeakPolarHBondContact CA-O 3.21Å; H128-S137 PolarHBondContact CE1-OG 3.37Å; H128-S137 PolarHBondContact ND1-OG 3.22Å
129L92.7Very high89.7Confident12 Ų1242.8 Ų42.86%0.06323%0.228CC..EExtended strand (participates in β ladder)trans-97.5119.1167.9-169.368.3000108.7I105 I108 T115 F131 S135 F136 F138 I151I105-L129 HydrophobicContact CD1-CD2 3.66Å; I108-L129 HydrophobicContact CG2-CD2 4.07Å; T115-L129 HydrophobicContact CG2-CD1 3.46Å; T115-L129 VanDerWaalsContact CG2-CD1 3.46Å; T115-L129 HydrophobicContact CG2-CD2 4.26Å; T115-L129 HydrophobicContact CG2-CG 3.69Å; L129-F131 HydrophobicContact CD2-CE2 3.81Å; L129-F131 HydrophobicContact CD2-CZ 4.07Å; L129-F131 HydrophobicContact CG-CE2 3.98Å; L129-F131 HydrophobicContact CG-CZ 4.46Å; L129-S135 CarbonylContact O-C 3.6Å; L129-S135 WeakPolarHBondContact O-CA 3.41Å; L129-F136 PolarHBondContact N-O 3.11Å; L129-F136 PolarHBondContact O-N 3.34Å; L129-F138 HydrophobicContact CB-CE2 3.93Å; L129-I151 HydrophobicContact CB-CD1 4.1Å; L129-I151 HydrophobicContact CD1-CD1 4.39Å
130N92.3Very high89.1Confident52 Ų5239.7 Ų39.728%0.27821%0.208SC..EExtended strand (participates in β ladder)trans-108.4134.7-173.3-63.6-51.4000110.8T115 S135T115-N130 WeakPolarHBondContact CG2-O 3.48Å; T115-N130 PolarHBondContact OG1-O 2.83Å; N130-S135 VanDerWaalsContact OD1-CB 3.23Å; N130-S135 WeakPolarHBondContact OD1-CB 3.39Å
131F93.9Very high87.9Confident25 Ų2542.4 Ų42.411%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-117.9169.5166-62.8-96.1000108I108 F112 G113 T115 L129 G133 L134 F136I108-F131 HydrophobicContact CG2-CE2 4.01Å; I108-F131 HydrophobicContact CG2-CZ 4.18Å; F112-F131 HydrophobicContact CB-CD1 4.15Å; F112-F131 HydrophobicContact CB-CE1 3.58Å; F112-F131 HydrophobicContact CB-CE2 4.25Å; F112-F131 HydrophobicContact CB-CZ 3.65Å; G113-F131 WeakPolarHBondContact O-CE1 3.45Å; T115-F131 HydrophobicContact CG2-CD1 4.16Å; T115-F131 HydrophobicContact CG2-CD2 4.43Å; T115-F131 HydrophobicContact CG2-CE1 3.74Å; T115-F131 HydrophobicContact CG2-CE2 4.02Å; T115-F131 HydrophobicContact CG2-CG 4.49Å; T115-F131 HydrophobicContact CG2-CZ 3.65Å; L129-F131 HydrophobicContact CD2-CE2 3.81Å; L129-F131 HydrophobicContact CD2-CZ 4.07Å; L129-F131 HydrophobicContact CG-CE2 3.98Å; L129-F131 HydrophobicContact CG-CZ 4.46Å; F131-G133 PolarHBondContact O-N 3.3Å; F131-G133 VanDerWaalsContact O-N 3.13Å; F131-L134 CarbonylContact C-O 3.53Å; F131-L134 WeakPolarHBondContact CA-O 3.21Å; F131-L134 HydrophobicContact CB-CB 4.19Å; F131-L134 PolarHBondContact N-O 2.97Å; F131-L134 PolarHBondContact O-N 3.08Å; F131-F136 HydrophobicContact CD2-CD2 4.01Å; F131-F136 HydrophobicContact CD2-CE2 4.01Å; F131-F136 AromaticContact CE2-CD2 3.76Å; F131-F136 HydrophobicContact CE2-CD2 3.76Å; F131-F136 AromaticContact CE2-CE2 3.85Å; F131-F136 HydrophobicContact CE2-CE2 3.85Å
132R93.3Very high86.6Confident143 Ų14345.7 Ų45.754%0.5425%0.253SS..THydrogen-bonded Turntrans-65.3117.1169-178.9175.3177.986.37.1109.5E9 L134 N166E9-R132 HydrophobicContact CG-CG 4.19Å; E9-R132 WeakPolarHBondContact OE1-CG 3.48Å; E9-R132 IonicContact OE1-CZ 2.79Å; E9-R132 IonicContact OE1-NE 3.57Å; E9-R132 PolarHBondContact OE1-NE 2.86Å; E9-R132 IonicContact OE1-NH2 3.79Å; E9-R132 PolarHBondContact OE1-NH2 3.27Å; E9-R132 IonicContact OE2-CZ 2.8Å; E9-R132 IonicContact OE2-NE 2.75Å; E9-R132 PolarHBondContact OE2-NE 3.48Å; E9-R132 IonicContact OE2-NH2 2.88Å; E9-R132 PolarHBondContact OE2-NH2 3.02Å; R132-L134 VanDerWaalsContact C-N 3.29Å; R132-L134 PolarHBondContact O-N 3.36Å; R132-N166 WeakPolarHBondContact CG-OD1 3.46Å; R132-N166 PolarHBondContact NH1-OD1 2.78Å
133G94.6Very high85.5Confident0 Ų047.2 Ų47.20%025%0.245CC..THydrogen-bonded Turntrans75.28.9177.500000116.8E9 F131 I162 Y163 G165E9-G133 PolarHBondContact N-O 2.98Å; F131-G133 PolarHBondContact O-N 3.3Å; F131-G133 VanDerWaalsContact O-N 3.13Å; G133-I162 WeakPolarHBondContact O-CA 3.48Å; G133-Y163 CarbonylContact C-O 3.54Å; G133-Y163 WeakPolarHBondContact CA-O 2.98Å; G133-Y163 PolarHBondContact O-N 3.03Å; G133-Y163 VanDerWaalsContact O-N 3.15Å; G133-G165 PolarHBondContact N-O 3.44Å
134L95.6Very high84Confident0 Ų050.9 Ų50.90%025%0.251CS..EExtended strand (participates in β ladder)trans-150.5140.5-176.9-174.373.9000109.6V6 P8 F112 F131 R132 F136 M160 H161 I162V6-L134 HydrophobicContact CG1-CD1 4Å; P8-L134 HydrophobicContact CB-CB 4.4Å; P8-L134 HydrophobicContact CG-CD2 4.38Å; F112-L134 HydrophobicContact CD1-CD2 3.56Å; F112-L134 HydrophobicContact CE1-CD2 3.3Å; F112-L134 HydrophobicContact CE2-CD2 4.46Å; F112-L134 HydrophobicContact CG-CD2 4.25Å; F112-L134 HydrophobicContact CZ-CD2 3.8Å; F131-L134 CarbonylContact C-O 3.53Å; F131-L134 WeakPolarHBondContact CA-O 3.21Å; F131-L134 HydrophobicContact CB-CB 4.19Å; F131-L134 PolarHBondContact N-O 2.97Å; F131-L134 PolarHBondContact O-N 3.08Å; R132-L134 VanDerWaalsContact C-N 3.29Å; R132-L134 PolarHBondContact O-N 3.36Å; L134-F136 HydrophobicContact CD1-CZ 4.36Å; L134-F136 HydrophobicContact CD2-CE2 3.44Å; L134-F136 VanDerWaalsContact CD2-CE2 3.44Å; L134-F136 HydrophobicContact CD2-CZ 3.54Å; L134-F136 HydrophobicContact CG-CE2 3.83Å; L134-F136 HydrophobicContact CG-CZ 3.99Å; L134-M160 HydrophobicContact CD1-CE 4.41Å; L134-M160 HydrophobicContact CD1-CG 3.75Å; L134-M160 HydrophobicContact CD1-SD 3.88Å; L134-H161 CarbonylContact C-O 3.56Å; L134-H161 VanDerWaalsContact CA-O 3.25Å; L134-H161 WeakPolarHBondContact CA-O 3.31Å; L134-H161 WeakPolarHBondContact CD1-O 2.85Å; L134-I162 HydrophobicContact CD1-CG1 3.85Å
135S95.8Very high82.8Confident1 Ų154.1 Ų54.11%0.00727%0.267CS..EExtended strand (participates in β ladder)trans-140.8150.4168.864.80000111.7L129 N130 M160 H161L129-S135 CarbonylContact O-C 3.6Å; L129-S135 WeakPolarHBondContact O-CA 3.41Å; N130-S135 VanDerWaalsContact OD1-CB 3.23Å; N130-S135 WeakPolarHBondContact OD1-CB 3.39Å; S135-M160 CarbonylContact O-C 3.58Å; S135-M160 VanDerWaalsContact O-CA 3.24Å; S135-M160 WeakPolarHBondContact O-CA 3.26Å; S135-H161 PolarHBondContact N-O 3.25Å; S135-H161 PolarHBondContact O-N 3.36Å
136F96Very high81.5Confident0 Ų051.5 Ų51.50%026%0.264CS..EExtended strand (participates in β ladder)trans-122130.8176.6-62.1-80.8000109.7F96 I108 F112 H128 L129 F131 L134 F138 V157 R159 M160F96-F136 HydrophobicContact CE2-CE1 4.16Å; I108-F136 HydrophobicContact CD1-CD1 4.03Å; I108-F136 HydrophobicContact CD1-CE1 3.64Å; I108-F136 HydrophobicContact CD1-CE2 4.27Å; I108-F136 HydrophobicContact CD1-CG 4.48Å; I108-F136 HydrophobicContact CD1-CZ 3.77Å; I108-F136 HydrophobicContact CG1-CD1 4.38Å; I108-F136 HydrophobicContact CG1-CE1 4.43Å; I108-F136 HydrophobicContact CG1-CG 4.43Å; I108-F136 HydrophobicContact CG2-CD2 3.64Å; I108-F136 HydrophobicContact CG2-CE2 3.63Å; I108-F136 HydrophobicContact CG2-CG 4.25Å; I108-F136 HydrophobicContact CG2-CZ 4.25Å; F112-F136 AromaticContact CD2-CE2 3.94Å; F112-F136 HydrophobicContact CD2-CE2 3.94Å; F112-F136 AromaticContact CD2-CZ 3.9Å; F112-F136 HydrophobicContact CD2-CZ 3.9Å; F112-F136 HydrophobicContact CE2-CE2 4.03Å; F112-F136 AromaticContact CE2-CZ 3.5Å; F112-F136 HydrophobicContact CE2-CZ 3.5Å; F112-F136 VanDerWaalsContact CE2-CZ 3.5Å; F112-F136 HydrophobicContact CG-CE2 4.34Å; F112-F136 HydrophobicContact CZ-CE2 4.47Å; F112-F136 AromaticContact CZ-CZ 3.84Å; F112-F136 HydrophobicContact CZ-CZ 3.84Å; H128-F136 CarbonylContact C-O 3.46Å; H128-F136 WeakPolarHBondContact CA-O 3.21Å; L129-F136 PolarHBondContact N-O 3.11Å; L129-F136 PolarHBondContact O-N 3.34Å; F131-F136 HydrophobicContact CD2-CD2 4.01Å; F131-F136 HydrophobicContact CD2-CE2 4.01Å; F131-F136 AromaticContact CE2-CD2 3.76Å; F131-F136 HydrophobicContact CE2-CD2 3.76Å; F131-F136 AromaticContact CE2-CE2 3.85Å; F131-F136 HydrophobicContact CE2-CE2 3.85Å; L134-F136 HydrophobicContact CD1-CZ 4.36Å; L134-F136 HydrophobicContact CD2-CE2 3.44Å; L134-F136 VanDerWaalsContact CD2-CE2 3.44Å; L134-F136 HydrophobicContact CD2-CZ 3.54Å; L134-F136 HydrophobicContact CG-CE2 3.83Å; L134-F136 HydrophobicContact CG-CZ 3.99Å; F136-F138 HydrophobicContact CB-CE2 3.72Å; F136-F138 HydrophobicContact CB-CZ 4.06Å; F136-V157 HydrophobicContact CB-CG1 4.42Å; F136-V157 HydrophobicContact CB-CG2 4.25Å; F136-V157 HydrophobicContact CD1-CG1 3.83Å; F136-V157 HydrophobicContact CD1-CG2 3.91Å; F136-V157 HydrophobicContact CG-CG2 4.37Å; F136-R159 WeakPolarHBondContact CA-O 3.35Å; F136-M160 HydrophobicContact CD1-CB 4.01Å; F136-M160 HydrophobicContact CD1-CG 3.82Å; F136-M160 HydrophobicContact CD1-SD 4.41Å; F136-M160 HydrophobicContact CE1-CB 4.1Å; F136-M160 HydrophobicContact CE1-CG 3.54Å; F136-M160 HydrophobicContact CE1-SD 3.57Å; F136-M160 VanDerWaalsContact CE1-SD 3.57Å; F136-M160 HydrophobicContact CZ-CG 4.24Å; F136-M160 HydrophobicContact CZ-SD 4.12Å
137S94.5Very high80.2Confident1 Ų152.3 Ų52.31%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-109.5132.3176.9-53.30000110F127 H128 K158 R159F127-S137 CarbonylContact O-C 3.43Å; F127-S137 VanDerWaalsContact O-CA 3.31Å; F127-S137 WeakPolarHBondContact O-CA 3.15Å; H128-S137 PolarHBondContact CE1-OG 3.37Å; H128-S137 PolarHBondContact ND1-OG 3.22Å; S137-K158 WeakPolarHBondContact O-CA 3.38Å; S137-K158 WeakPolarHBondContact O-CB 3.4Å; S137-K158 PolarHBondContact O-N 3.37Å; S137-R159 PolarHBondContact N-O 3.22Å; S137-R159 PolarHBondContact O-N 3.23Å
138F92.5Very high78.9Confident0 Ų060.8 Ų60.80%031%0.307CS..EExtended strand (participates in β ladder)trans-114.6137.9-179.6-58.8-98.2000109.8I105 I108 L126 F127 L129 F136 I151 A155 M156 V157I105-F138 HydrophobicContact CB-CE1 4.06Å; I105-F138 HydrophobicContact CB-CZ 4.33Å; I105-F138 HydrophobicContact CD1-CE1 4.34Å; I105-F138 HydrophobicContact CD1-CE2 4.22Å; I105-F138 HydrophobicContact CD1-CZ 3.75Å; I108-F138 HydrophobicContact CG1-CZ 4.39Å; L126-F138 WeakPolarHBondContact CA-O 3.34Å; L126-F138 WeakPolarHBondContact CD2-O 3.36Å; F127-F138 PolarHBondContact N-O 2.94Å; F127-F138 PolarHBondContact O-N 2.81Å; L129-F138 HydrophobicContact CB-CE2 3.93Å; F136-F138 HydrophobicContact CB-CE2 3.72Å; F136-F138 HydrophobicContact CB-CZ 4.06Å; F138-I151 HydrophobicContact CD1-CG2 4.37Å; F138-I151 HydrophobicContact CD2-CD1 3.69Å; F138-I151 HydrophobicContact CE2-CD1 3.72Å; F138-I151 HydrophobicContact CG-CD1 4.39Å; F138-I151 HydrophobicContact CG-CG2 4.27Å; F138-I151 HydrophobicContact CZ-CD1 4.42Å; F138-A155 HydrophobicContact CD1-CB 4Å; F138-M156 VanDerWaalsContact CD1-C 3.5Å; F138-M156 WeakPolarHBondContact CD1-O 3.44Å; F138-V157 HydrophobicContact CD1-CG2 4.29Å; F138-V157 HydrophobicContact CE1-CB 4.38Å; F138-V157 HydrophobicContact CE1-CG2 3.5Å; F138-V157 HydrophobicContact CZ-CG2 3.65Å
139Q83.8Confident77.5Confident72 Ų7267.4 Ų67.434%0.33633%0.332SS..EExtended strand (participates in β ladder)trans-93.9135.3177.7-174.8174.4-5.500110.1L126 D141 K158L126-Q139 HydrophobicContact CD2-CB 3.96Å; L126-Q139 HydrophobicContact CD2-CG 4.44Å; Q139-D141 VanDerWaalsContact CD-OD1 3.3Å; Q139-D141 VanDerWaalsContact CD-OD2 3.26Å; Q139-D141 WeakPolarHBondContact CG-OD1 3.3Å; Q139-D141 VanDerWaalsContact NE2-CG 3.29Å; Q139-D141 PolarHBondContact NE2-OD1 2.75Å; Q139-D141 PolarHBondContact NE2-OD2 3.2Å; Q139-D141 VanDerWaalsContact NE2-OD2 3.15Å; Q139-K158 HydrophobicContact CB-CB 4.26Å; Q139-K158 HydrophobicContact CB-CD 4.47Å; Q139-K158 HydrophobicContact CB-CG 4.34Å
140L74.8Confident76.4Confident22 Ų2274.2 Ų74.212%0.11536%0.363CS..  trans-111.669-173.6-45.4-178.6000111Y120 F127 S142 W143 P147Y120-L140 HydrophobicContact CD2-CD1 3.96Å; Y120-L140 HydrophobicContact CE2-CD1 3.71Å; F127-L140 HydrophobicContact CB-CD1 4.3Å; F127-L140 HydrophobicContact CB-CD2 4.26Å; L140-S142 PolarHBondContact O-N 2.76Å; L140-W143 HydrophobicContact CB-CD2 4.41Å; L140-W143 HydrophobicContact CB-CG 4.19Å; L140-W143 HydrophobicContact CB-CZ2 4.32Å; L140-W143 HydrophobicContact CD1-CH2 4.14Å; L140-W143 HydrophobicContact CD1-CZ2 4.48Å; L140-W143 HydrophobicContact CD2-CH2 3.62Å; L140-W143 HydrophobicContact CD2-CZ2 3.43Å; L140-W143 VanDerWaalsContact CD2-CZ2 3.43Å; L140-W143 HydrophobicContact CG-CH2 4.37Å; L140-W143 HydrophobicContact CG-CZ2 4.26Å; L140-P147 HydrophobicContact CD1-CG 4.11Å
141D61.5Low75.8Confident119 Ų11972.8 Ų72.864%0.63636%0.356SS*.THydrogen-bonded Turntrans-71.912.9-168-75.2-33.5000116.6Q139Q139-D141 VanDerWaalsContact CD-OD1 3.3Å; Q139-D141 VanDerWaalsContact CD-OD2 3.26Å; Q139-D141 WeakPolarHBondContact CG-OD1 3.3Å; Q139-D141 VanDerWaalsContact NE2-CG 3.29Å; Q139-D141 PolarHBondContact NE2-OD1 2.75Å; Q139-D141 PolarHBondContact NE2-OD2 3.2Å; Q139-D141 VanDerWaalsContact NE2-OD2 3.15Å
142S55.3Low75.1Confident108 Ų10874.1 Ų74.176%0.75537%0.367SS*.THydrogen-bonded Turntrans-16131.2-169.7-52.30000116.1L140L140-S142 PolarHBondContact O-N 2.76Å
143W59.6Low74.7Confident96 Ų9675.3 Ų75.336%0.36438%0.378SS..  trans-117117.7-166-65.651.1000112L140 E145 P147 P152L140-W143 HydrophobicContact CB-CD2 4.41Å; L140-W143 HydrophobicContact CB-CG 4.19Å; L140-W143 HydrophobicContact CB-CZ2 4.32Å; L140-W143 HydrophobicContact CD1-CH2 4.14Å; L140-W143 HydrophobicContact CD1-CZ2 4.48Å; L140-W143 HydrophobicContact CD2-CH2 3.62Å; L140-W143 HydrophobicContact CD2-CZ2 3.43Å; L140-W143 VanDerWaalsContact CD2-CZ2 3.43Å; L140-W143 HydrophobicContact CG-CH2 4.37Å; L140-W143 HydrophobicContact CG-CZ2 4.26Å; W143-E145 VanDerWaalsContact C-N 3.26Å; W143-E145 PolarHBondContact O-N 3.31Å; W143-P147 HydrophobicContact CE3-CG 4.11Å; W143-P147 HydrophobicContact CH2-CB 4.45Å; W143-P147 HydrophobicContact CH2-CG 3.81Å; W143-P147 HydrophobicContact CZ3-CB 3.7Å; W143-P147 HydrophobicContact CZ3-CG 3.32Å; W143-P152 HydrophobicContact CE3-CG 4.19Å; W143-P152 HydrophobicContact CH2-CB 4.23Å; W143-P152 HydrophobicContact CH2-CG 3.01Å; W143-P152 HydrophobicContact CZ2-CB 4.07Å; W143-P152 HydrophobicContact CZ2-CG 3.22Å; W143-P152 VanDerWaalsContact CZ3-CD 3.45Å; W143-P152 HydrophobicContact CZ3-CG 3.34Å
144N53.6Low74.2Confident172 Ų17277.3 Ų77.392%0.9240%0.399SS*.SBendtrans-71.7-18.8-179.4-72.2-20000113.1
145E57.3Low73.9Confident166 Ų16678 Ų7878%0.77641%0.405SS*.SBendtrans-138.3138.2177-67.1-174.8172.500110.6W143 P147W143-E145 VanDerWaalsContact C-N 3.26Å; W143-E145 PolarHBondContact O-N 3.31Å; E145-P147 WeakPolarHBondContact O-CD 3.42Å
146A57.3Low73.7Confident59 Ų5983.3 Ų83.349%0.48843%0.431SS..  trans-66.7121.6175.800000109.6Y120 K148Y120-A146 HydrophobicContact CD1-CB 4.03Å; Y120-A146 HydrophobicContact CE1-CB 4.03Å; A146-K148 PolarHBondContact O-N 3.21Å
147P60.8Low73.7Confident23 Ų2383.8 Ų83.815%0.14943%0.434CS..  trans-58.4130.4174.922.6-32.6000110F127 L140 W143 E145 E150F127-P147 HydrophobicContact CD2-CG 3.91Å; F127-P147 HydrophobicContact CE2-CB 4.38Å; F127-P147 HydrophobicContact CE2-CG 3.84Å; L140-P147 HydrophobicContact CD1-CG 4.11Å; W143-P147 HydrophobicContact CE3-CG 4.11Å; W143-P147 HydrophobicContact CH2-CB 4.45Å; W143-P147 HydrophobicContact CH2-CG 3.81Å; W143-P147 HydrophobicContact CZ3-CB 3.7Å; W143-P147 HydrophobicContact CZ3-CG 3.32Å; E145-P147 WeakPolarHBondContact O-CD 3.42Å; P147-E150 WeakPolarHBondContact CB-O 3.31Å
148K60.4Low73.7Confident178 Ų17888 Ų8877%0.77445%0.452SS*.SBendtrans-70.3-33.5-179.8-72.9-177.4178.5174.80112.7A146A146-K148 PolarHBondContact O-N 3.21Å
149Y62.7Low73.8Confident166 Ų16692 Ų9265%0.65147%0.467SS*.SBendtrans-148.6-18.3-173.3-59.9-71.5000116.4P117P117-Y149 HydrophobicContact CB-CD1 4.34Å
150E69.5Low74.5Confident155 Ų15588.5 Ų88.572%0.72445%0.451SS*.  trans-121.5138.5-169.2-70.6-178177.400113.4P147P147-E150 WeakPolarHBondContact CB-O 3.31Å
151I79.4Confident75.6Confident23 Ų2388.4 Ų88.412%0.11845%0.45CS..PPolyproline II helixtrans-88.6122.9170.4-56.1165.5000107.1I105 F127 L129 F138 A155I105-I151 HydrophobicContact CB-CG2 4.12Å; I105-I151 HydrophobicContact CD1-CB 4.31Å; I105-I151 HydrophobicContact CD1-CD1 3.69Å; I105-I151 HydrophobicContact CD1-CG2 4.43Å; I105-I151 HydrophobicContact CG1-CB 4.11Å; I105-I151 HydrophobicContact CG1-CD1 4.42Å; I105-I151 HydrophobicContact CG1-CG2 4.11Å; I105-I151 HydrophobicContact CG2-CG2 4.4Å; F127-I151 HydrophobicContact CD1-CD1 3.53Å; F127-I151 HydrophobicContact CD1-CG1 3.19Å; F127-I151 HydrophobicContact CE1-CD1 3.78Å; F127-I151 HydrophobicContact CE1-CG1 3.29Å; F127-I151 HydrophobicContact CG-CG1 4.01Å; F127-I151 HydrophobicContact CZ-CG1 4.23Å; L129-I151 HydrophobicContact CB-CD1 4.1Å; L129-I151 HydrophobicContact CD1-CD1 4.39Å; F138-I151 HydrophobicContact CD1-CG2 4.37Å; F138-I151 HydrophobicContact CD2-CD1 3.69Å; F138-I151 HydrophobicContact CE2-CD1 3.72Å; F138-I151 HydrophobicContact CG-CD1 4.39Å; F138-I151 HydrophobicContact CG-CG2 4.27Å; F138-I151 HydrophobicContact CZ-CD1 4.42Å; I151-A155 HydrophobicContact CG2-CB 3.47Å; I151-A155 VanDerWaalsContact CG2-CB 3.47Å
152P79.9Confident77.3Confident52 Ų5282.8 Ų82.834%0.33842%0.419SS..PPolyproline II helixtrans-60.9150.1176.1-31.640.4000112.5I105 W143 A155I105-P152 WeakPolarHBondContact CG2-O 3.36Å; W143-P152 HydrophobicContact CE3-CG 4.19Å; W143-P152 HydrophobicContact CH2-CB 4.23Å; W143-P152 HydrophobicContact CH2-CG 3.01Å; W143-P152 HydrophobicContact CZ2-CB 4.07Å; W143-P152 HydrophobicContact CZ2-CG 3.22Å; W143-P152 VanDerWaalsContact CZ3-CD 3.45Å; W143-P152 HydrophobicContact CZ3-CG 3.34Å; P152-A155 VanDerWaalsContact O-CB 3.26Å; P152-A155 WeakPolarHBondContact O-CB 3.34Å; P152-A155 PolarHBondContact O-N 3.08Å
153H83.3Confident79.4Confident168 Ų16877.6 Ų77.678%0.77838%0.383SS*.THydrogen-bonded Turntrans-56138176.8-66.382.6000111.3E106 A155E106-H153 VanDerWaalsContact OE1-C 3.28Å; E106-H153 WeakPolarHBondContact OE1-CA 3.24Å; E106-H153 WeakPolarHBondContact OE1-CB 3.3Å; E106-H153 IonicContact OE1-CD2 3.33Å; E106-H153 PolarHBondContact OE1-CD2 2.73Å; E106-H153 IonicContact OE1-CG 3.57Å; H153-A155 VanDerWaalsContact C-N 3.28Å; H153-A155 PolarHBondContact O-N 3.13Å
154G85.3Confident81.1Confident42 Ų4274.8 Ų74.843%0.43338%0.377SS..THydrogen-bonded Turntrans78.5-0.5-178.600000115.5E106 M156E106-G154 PolarHBondContact OE1-N 2.87Å; E106-G154 PolarHBondContact OE2-N 2.86Å; G154-M156 PolarHBondContact O-N 2.75Å
155A88.9Confident82.9Confident16 Ų1667.6 Ų67.613%0.13234%0.343CS..PPolyproline II helixtrans-59.2131.1174.100000110.7T104 I105 F138 I151 P152 H153T104-A155 CarbonylContact C-O 3.53Å; T104-A155 VanDerWaalsContact CA-O 3.27Å; T104-A155 WeakPolarHBondContact CA-O 3.43Å; I105-A155 PolarHBondContact N-O 3.38Å; F138-A155 HydrophobicContact CD1-CB 4Å; I151-A155 HydrophobicContact CG2-CB 3.47Å; I151-A155 VanDerWaalsContact CG2-CB 3.47Å; P152-A155 VanDerWaalsContact O-CB 3.26Å; P152-A155 WeakPolarHBondContact O-CB 3.34Å; P152-A155 PolarHBondContact O-N 3.08Å; H153-A155 VanDerWaalsContact C-N 3.28Å; H153-A155 PolarHBondContact O-N 3.13Å
156M91.7Very high84.3Confident112 Ų11264.8 Ų64.855%0.55233%0.334SS*.BIsolated β-bridgetrans-95.3140.2-176.7-67.5-18058.900111.8V102 F138 G154 K158V102-M156 HydrophobicContact CG1-CE 3.52Å; V102-M156 HydrophobicContact CG1-CG 4.17Å; V102-M156 HydrophobicContact CG1-SD 4.03Å; F138-M156 VanDerWaalsContact CD1-C 3.5Å; F138-M156 WeakPolarHBondContact CD1-O 3.44Å; G154-M156 PolarHBondContact O-N 2.75Å; M156-K158 PolarHBondContact O-N 2.98Å
157V95Very high85.8Confident10 Ų1064.8 Ų64.86%0.06133%0.325CS..EExtended strand (participates in β ladder)trans-63123.1173.1176.30000109.6L84 P103 I108 F136 F138 R159L84-V157 HydrophobicContact CD1-CG1 3.82Å; L84-V157 HydrophobicContact CD2-CB 3.93Å; L84-V157 HydrophobicContact CD2-CG1 3.61Å; L84-V157 HydrophobicContact CG-CG1 4.4Å; P103-V157 HydrophobicContact CB-CB 4.15Å; P103-V157 HydrophobicContact CB-CG2 4.18Å; P103-V157 HydrophobicContact CG-CB 4.33Å; P103-V157 WeakPolarHBondContact O-CG2 3.45Å; P103-V157 PolarHBondContact O-N 3.21Å; I108-V157 HydrophobicContact CD1-CG2 4.04Å; I108-V157 HydrophobicContact CG1-CG2 3.69Å; F136-V157 HydrophobicContact CB-CG1 4.42Å; F136-V157 HydrophobicContact CB-CG2 4.25Å; F136-V157 HydrophobicContact CD1-CG1 3.83Å; F136-V157 HydrophobicContact CD1-CG2 3.91Å; F136-V157 HydrophobicContact CG-CG2 4.37Å; F138-V157 HydrophobicContact CD1-CG2 4.29Å; F138-V157 HydrophobicContact CE1-CB 4.38Å; F138-V157 HydrophobicContact CE1-CG2 3.5Å; F138-V157 HydrophobicContact CZ-CG2 3.65Å; V157-R159 WeakPolarHBondContact CG1-O 3.48Å
158K94.4Very high87.2Confident90 Ų9066 Ų6639%0.39133%0.33SS..EExtended strand (participates in β ladder)trans-87.7-42.4173.1-171.965.5176.4-151.90112S137 Q139 M156S137-K158 WeakPolarHBondContact O-CA 3.38Å; S137-K158 WeakPolarHBondContact O-CB 3.4Å; S137-K158 PolarHBondContact O-N 3.37Å; Q139-K158 HydrophobicContact CB-CB 4.26Å; Q139-K158 HydrophobicContact CB-CD 4.47Å; Q139-K158 HydrophobicContact CB-CG 4.34Å; M156-K158 PolarHBondContact O-N 2.98Å
159R95.9Very high88.5Confident82 Ų8265.7 Ų65.731%0.30933%0.331SS..EExtended strand (participates in β ladder)trans-144.7151.9-179.1-52.5-172.8-156.3155.511111.1V81 F136 S137 V157V81-R159 CarbonylContact O-C 3.58Å; V81-R159 VanDerWaalsContact O-CA 3.32Å; V81-R159 WeakPolarHBondContact O-CA 3.48Å; F136-R159 WeakPolarHBondContact CA-O 3.35Å; S137-R159 PolarHBondContact N-O 3.22Å; S137-R159 PolarHBondContact O-N 3.23Å; V157-R159 WeakPolarHBondContact CG1-O 3.48Å
160M97.3Very high89.7Confident0 Ų064.9 Ų64.90%033%0.334CS..EExtended strand (participates in β ladder)trans-129.3142.3173.2-178.4-171.486.300109.7V6 E80 V81 L89 F96 L134 S135 F136 I162V6-M160 HydrophobicContact CG1-CE 4.24Å; V6-M160 HydrophobicContact CG2-CE 3.78Å; V6-M160 HydrophobicContact CG2-SD 4.32Å; E80-M160 CarbonylContact C-O 3.43Å; E80-M160 WeakPolarHBondContact CA-O 3.17Å; V81-M160 HydrophobicContact CB-CB 4.29Å; V81-M160 HydrophobicContact CB-CE 4.32Å; V81-M160 HydrophobicContact CG2-CE 3.63Å; V81-M160 PolarHBondContact N-O 2.84Å; V81-M160 PolarHBondContact O-N 3.16Å; L89-M160 HydrophobicContact CD1-CE 4.13Å; L89-M160 HydrophobicContact CD1-SD 4.22Å; F96-M160 HydrophobicContact CE2-SD 4.41Å; F96-M160 HydrophobicContact CZ-SD 3.96Å; L134-M160 HydrophobicContact CD1-CE 4.41Å; L134-M160 HydrophobicContact CD1-CG 3.75Å; L134-M160 HydrophobicContact CD1-SD 3.88Å; S135-M160 CarbonylContact O-C 3.58Å; S135-M160 VanDerWaalsContact O-CA 3.24Å; S135-M160 WeakPolarHBondContact O-CA 3.26Å; F136-M160 HydrophobicContact CD1-CB 4.01Å; F136-M160 HydrophobicContact CD1-CG 3.82Å; F136-M160 HydrophobicContact CD1-SD 4.41Å; F136-M160 HydrophobicContact CE1-CB 4.1Å; F136-M160 HydrophobicContact CE1-CG 3.54Å; F136-M160 HydrophobicContact CE1-SD 3.57Å; F136-M160 VanDerWaalsContact CE1-SD 3.57Å; F136-M160 HydrophobicContact CZ-CG 4.24Å; F136-M160 HydrophobicContact CZ-SD 4.12Å; M160-I162 HydrophobicContact CE-CD1 3.88Å; M160-I162 HydrophobicContact CE-CG1 3.96Å
161H98.3Very high90.8Very high20 Ų2058.2 Ų58.29%0.09330%0.304CS..EExtended strand (participates in β ladder)trans-125.2137.9173.2-56.786.7000110.9V78 I79 E80 L134 S135 Y163 L168V78-H161 HydrophobicContact CG1-CB 4.19Å; I79-H161 CarbonylContact O-C 3.47Å; I79-H161 VanDerWaalsContact O-CA 3.32Å; I79-H161 WeakPolarHBondContact O-CA 3.49Å; E80-H161 IonicContact OE1-NE2 3.66Å; L134-H161 CarbonylContact C-O 3.56Å; L134-H161 VanDerWaalsContact CA-O 3.25Å; L134-H161 WeakPolarHBondContact CA-O 3.31Å; L134-H161 WeakPolarHBondContact CD1-O 2.85Å; S135-H161 PolarHBondContact N-O 3.25Å; S135-H161 PolarHBondContact O-N 3.36Å; H161-Y163 HydrophobicContact CB-CD1 4.01Å; H161-Y163 HydrophobicContact CB-CE1 4.33Å; H161-L168 HydrophobicContact CB-CD1 4.08Å; H161-L168 HydrophobicContact CB-CD2 4.15Å
162I98.6Very high91.5Very high0 Ų064.9 Ų64.90%033%0.332CS..EExtended strand (participates in β ladder)trans-112126.6168.7-51.3160.1000107.3V6 L12 L21 V78 I79 G133 L134 M160V6-I162 HydrophobicContact CG1-CD1 3.9Å; V6-I162 HydrophobicContact CG1-CG1 4.15Å; L12-I162 HydrophobicContact CB-CD1 3.86Å; L12-I162 HydrophobicContact CD1-CD1 4.21Å; L12-I162 HydrophobicContact CG-CD1 4.49Å; L21-I162 HydrophobicContact CD1-CG2 4.32Å; V78-I162 WeakPolarHBondContact CA-O 3.37Å; I79-I162 HydrophobicContact CB-CB 4.19Å; I79-I162 HydrophobicContact CB-CD1 4.36Å; I79-I162 HydrophobicContact CG2-CD1 4.32Å; I79-I162 PolarHBondContact N-O 3.37Å; I79-I162 PolarHBondContact O-N 2.85Å; G133-I162 WeakPolarHBondContact O-CA 3.48Å; L134-I162 HydrophobicContact CD1-CG1 3.85Å; M160-I162 HydrophobicContact CE-CD1 3.88Å; M160-I162 HydrophobicContact CE-CG1 3.96Å
163Y97.8Very high92.3Very high0 Ų063.1 Ų63.10%032%0.321CS..  trans-154.1178.8-176.159-87000109.8E9 L21 G133 H161 L168E9-Y163 WeakPolarHBondContact CA-O 3.25Å; L21-Y163 VanDerWaalsContact CD1-CA 3.48Å; G133-Y163 CarbonylContact C-O 3.54Å; G133-Y163 WeakPolarHBondContact CA-O 2.98Å; G133-Y163 PolarHBondContact O-N 3.03Å; G133-Y163 VanDerWaalsContact O-N 3.15Å; H161-Y163 HydrophobicContact CB-CD1 4.01Å; H161-Y163 HydrophobicContact CB-CE1 4.33Å; Y163-L168 HydrophobicContact CD1-CB 4.3Å; Y163-L168 HydrophobicContact CD1-CD1 3.73Å; Y163-L168 HydrophobicContact CE1-CB 3.99Å; Y163-L168 HydrophobicContact CE1-CD1 4.22Å; Y163-L168 HydrophobicContact CE2-CB 4.45Å; Y163-L168 HydrophobicContact CG-CD1 4.05Å
164T95.6Very high92.9Very high36 Ų3656.6 Ų56.622%0.22129%0.294CS..SBendtrans-100.8139.7177.152.10000111.9L21 T171 K172 P174L21-T164 HydrophobicContact CB-CG2 4.47Å; L21-T164 HydrophobicContact CD1-CG2 3.73Å; T164-T171 PolarHBondContact O-OG1 2.95Å; T164-T171 PolarHBondContact OG1-OG1 3.01Å; T164-K172 PolarHBondContact OG1-O 2.62Å; T164-P174 HydrophobicContact CG2-CB 3.89Å; T164-P174 HydrophobicContact CG2-CG 3.72Å
165G91.4Very high93.3Very high21 Ų2158.4 Ų58.422%0.21631%0.305CS..SBendtrans85-158.718000000113.2E9 G133E9-G165 WeakPolarHBondContact OE1-CA 3.5Å; E9-G165 PolarHBondContact OE1-N 2.99Å; G133-G165 PolarHBondContact N-O 3.44Å
166N87.5Confident93.6Very high108 Ų10858.2 Ų58.258%0.57830%0.301SS*.SBendtrans-107.7-10.4-166.9-57.4-34.3000114.2R132R132-N166 WeakPolarHBondContact CG-OD1 3.46Å; R132-N166 PolarHBondContact NH1-OD1 2.78Å
167N87.8Confident93.7Very high59 Ų5954.7 Ų54.732%0.31629%0.287SS..  trans-134.4119.8-174.6-174.6-9.9000110.8Q169 E170 T171N167-Q169 VanDerWaalsContact C-N 3.3Å; N167-Q169 PolarHBondContact O-N 2.9Å; N167-Q169 PolarHBondContact OD1-N 2.6Å; N167-E170 HydrophobicContact CB-CB 4.3Å; N167-E170 PolarHBondContact ND2-OE1 2.77Å; N167-E170 PolarHBondContact O-N 3.43Å; N167-T171 PolarHBondContact O-N 3.33Å; N167-T171 VanDerWaalsContact O-N 3.13Å
168L89.7Confident93.5Very high49 Ų4957.7 Ų57.726%0.25730%0.302SS..THydrogen-bonded Turntrans-62.1-34.4177.7178.762.3000112.7V78 H161 Y163 T171V78-L168 HydrophobicContact CG1-CD1 3.88Å; V78-L168 HydrophobicContact CG2-CD1 3.92Å; H161-L168 HydrophobicContact CB-CD1 4.08Å; H161-L168 HydrophobicContact CB-CD2 4.15Å; Y163-L168 HydrophobicContact CD1-CB 4.3Å; Y163-L168 HydrophobicContact CD1-CD1 3.73Å; Y163-L168 HydrophobicContact CE1-CB 3.99Å; Y163-L168 HydrophobicContact CE1-CD1 4.22Å; Y163-L168 HydrophobicContact CE2-CB 4.45Å; Y163-L168 HydrophobicContact CG-CD1 4.05Å; L168-T171 HydrophobicContact CD1-CG2 4.39Å; L168-T171 WeakPolarHBondContact O-CG2 3.44Å
169Q87.8Confident93.4Very high170 Ų17057.1 Ų57.179%0.79431%0.314SS*.THydrogen-bonded Turntrans-73.6-30.6-177-64.6-176.6-3.700112.6N167N167-Q169 VanDerWaalsContact C-N 3.3Å; N167-Q169 PolarHBondContact O-N 2.9Å; N167-Q169 PolarHBondContact OD1-N 2.6Å
170E89Confident93.3Very high150 Ų15053.4 Ų53.470%0.70130%0.301SS*.THydrogen-bonded Turntrans-98.1-3.4-178.2-66.2173.1-171.700112.8N167N167-E170 HydrophobicContact CB-CB 4.3Å; N167-E170 PolarHBondContact ND2-OE1 2.77Å; N167-E170 PolarHBondContact O-N 3.43Å
171T92.9Very high93.1Very high15 Ų1553.5 Ų53.59%0.09230%0.302CS..  trans-62.7140.2-177.2-165.80000111.4K77 V78 T164 N167 L168K77-T171 HydrophobicContact CG-CG2 4.21Å; V78-T171 HydrophobicContact CG2-CG2 3.68Å; T164-T171 PolarHBondContact O-OG1 2.95Å; T164-T171 PolarHBondContact OG1-OG1 3.01Å; N167-T171 PolarHBondContact O-N 3.33Å; N167-T171 VanDerWaalsContact O-N 3.13Å; L168-T171 HydrophobicContact CD1-CG2 4.39Å; L168-T171 WeakPolarHBondContact O-CG2 3.44Å
172K94.6Very high92.7Very high162 Ų16258.6 Ų58.670%0.70433%0.327SS*.  trans-120.1157.4174.5-65.2-177.8-178.8178.30109T164 P174T164-K172 PolarHBondContact OG1-O 2.62Å; K172-P174 WeakPolarHBondContact O-CD 3.17Å
173A95.5Very high92.2Very high15 Ų1562.5 Ų62.512%0.12437%0.367CS..PPolyproline II helixtrans-63.5127.6175.600000109.3D70 R75 K77D70-A173 HydrophobicContact CB-CB 3.84Å; R75-A173 HydrophobicContact CB-CB 3.93Å; K77-A173 HydrophobicContact CB-CB 4.03Å; K77-A173 HydrophobicContact CG-CB 4.34Å
174P95.8Very high91.9Very high32 Ų3264.6 Ų64.621%0.20838%0.378CS..PPolyproline II helixtrans-71.2172.5-179.429.2-34.8000111.8L21 T164 K172L21-P174 HydrophobicContact CB-CG 3.74Å; T164-P174 HydrophobicContact CG2-CB 3.89Å; T164-P174 HydrophobicContact CG2-CG 3.72Å; K172-P174 WeakPolarHBondContact O-CD 3.17Å
175A93.9Very high91.8Very high80 Ų8064.6 Ų64.666%0.66138%0.376SS*.PPolyproline II helixtrans-57.1148.3170.900000110.7P177A175-P177 WeakPolarHBondContact O-CD 3.32Å
176M94.4Very high92Very high11 Ų1164 Ų645%0.05437%0.368CS..PPolyproline II helixtrans-61.9125.4179.7-177.7168.47100110.4P24 C180 F181 F186P24-M176 HydrophobicContact CG-CG 4.37Å; P24-M176 HydrophobicContact CG-SD 3.49Å; P24-M176 WeakPolarHBondContact CG-SD 3.36Å; M176-C180 HydrophobicContact CG-CB 3.56Å; M176-C180 HydrophobicContact SD-CB 4.04Å; M176-F181 HydrophobicContact CE-CD1 3.87Å; M176-F181 HydrophobicContact CE-CD2 3.81Å; M176-F181 HydrophobicContact CE-CE1 3.55Å; M176-F181 HydrophobicContact CE-CE2 3.51Å; M176-F181 HydrophobicContact CE-CG 4Å; M176-F181 HydrophobicContact CE-CZ 3.38Å; M176-F181 HydrophobicContact CG-CE2 4.4Å; M176-F186 HydrophobicContact CE-CB 4.37Å; M176-F186 HydrophobicContact CE-CD1 4.08Å; M176-F186 HydrophobicContact CE-CD2 3.37Å; M176-F186 HydrophobicContact CE-CE1 4.19Å; M176-F186 HydrophobicContact CE-CE2 3.53Å; M176-F186 HydrophobicContact CE-CG 3.67Å; M176-F186 HydrophobicContact CE-CZ 3.93Å; M176-F186 HydrophobicContact SD-CD1 4.41Å; M176-F186 HydrophobicContact SD-CE1 4.19Å; M176-F186 HydrophobicContact SD-CE2 4.34Å; M176-F186 HydrophobicContact SD-CZ 4.14Å
177P94.1Very high92.5Very high39 Ų3959.7 Ų59.725%0.25335%0.348SS..PPolyproline II helixtrans-59.8149.1179.1-25.333.8000112.6A20 L21 A175 A179 C180A20-P177 HydrophobicContact CB-CG 4.34Å; L21-P177 WeakPolarHBondContact O-CG 3.37Å; A175-P177 WeakPolarHBondContact O-CD 3.32Å; P177-A179 PolarHBondContact O-N 3.43Å; P177-C180 VanDerWaalsContact O-CB 3.28Å; P177-C180 WeakPolarHBondContact O-CB 3.46Å; P177-C180 PolarHBondContact O-N 2.88Å
178L92.3Very high92.8Very high72 Ų7260.1 Ų60.138%0.37735%0.348SS..G310 helixtrans-55.7-38.8178.8-73.4167.2000112.9C180 F181 A209 A219 V221L178-C180 PolarHBondContact O-N 2.9Å; L178-F181 PolarHBondContact O-N 3Å; L178-F181 VanDerWaalsContact O-N 3.1Å; L178-A209 HydrophobicContact CD2-CB 4.16Å; L178-A219 HydrophobicContact CD1-CB 4.39Å; L178-A219 WeakPolarHBondContact CD1-O 3.45Å; L178-V221 HydrophobicContact CD2-CG2 3.58Å; L178-V221 HydrophobicContact CG-CG2 4.39Å
179A90.9Very high93.1Very high78 Ų7858.3 Ų58.365%0.64534%0.339SS*.G310 helixtrans-60.9-27.3177.800000112.9P177 F181 M182P177-A179 PolarHBondContact O-N 3.43Å; A179-F181 VanDerWaalsContact C-N 3.26Å; A179-F181 PolarHBondContact O-N 3.39Å; A179-M182 WeakPolarHBondContact O-CG 3.45Å
180C94.4Very high93.6Very high4 Ų450.2 Ų50.23%0.02730%0.301CS..G310 helixtrans-74.8-12.8179.1-64.80000112.8Q27 M176 P177 L178Q27-C180 PolarHBondContact NE2-O 3.05Å; M176-C180 HydrophobicContact CG-CB 3.56Å; M176-C180 HydrophobicContact SD-CB 4.04Å; P177-C180 VanDerWaalsContact O-CB 3.28Å; P177-C180 WeakPolarHBondContact O-CB 3.46Å; P177-C180 PolarHBondContact O-N 2.88Å; L178-C180 PolarHBondContact O-N 2.9Å
181F93.5Very high94Very high3 Ų345.4 Ų45.41%0.01328%0.28CS..THydrogen-bonded Turntrans-70.3-38.4179.9-77.2-99.8000112M176 L178 A179 G183 N184 F186 L207 A209 V221M176-F181 HydrophobicContact CE-CD1 3.87Å; M176-F181 HydrophobicContact CE-CD2 3.81Å; M176-F181 HydrophobicContact CE-CE1 3.55Å; M176-F181 HydrophobicContact CE-CE2 3.51Å; M176-F181 HydrophobicContact CE-CG 4Å; M176-F181 HydrophobicContact CE-CZ 3.38Å; M176-F181 HydrophobicContact CG-CE2 4.4Å; L178-F181 PolarHBondContact O-N 3Å; L178-F181 VanDerWaalsContact O-N 3.1Å; A179-F181 VanDerWaalsContact C-N 3.26Å; A179-F181 PolarHBondContact O-N 3.39Å; F181-G183 PolarHBondContact O-N 3.34Å; F181-G183 VanDerWaalsContact O-N 3.08Å; F181-N184 WeakPolarHBondContact O-CA 3.46Å; F181-N184 VanDerWaalsContact O-CB 3.26Å; F181-N184 WeakPolarHBondContact O-CB 3.44Å; F181-N184 PolarHBondContact O-N 3.5Å; F181-N184 PolarHBondContact O-ND2 2.86Å; F181-N184 VanDerWaalsContact O-ND2 3.1Å; F181-F186 AromaticContact CD1-CD2 3.75Å; F181-F186 HydrophobicContact CD1-CD2 3.75Å; F181-F186 AromaticContact CD1-CE2 3.93Å; F181-F186 HydrophobicContact CD1-CE2 3.93Å; F181-F186 AromaticContact CE1-CD2 3.94Å; F181-F186 HydrophobicContact CE1-CD2 3.94Å; F181-F186 HydrophobicContact CE1-CE2 4.5Å; F181-F186 HydrophobicContact CG-CE2 4.35Å; F181-L207 HydrophobicContact CE1-CB 3.83Å; F181-L207 HydrophobicContact CZ-CB 4.15Å; F181-A209 HydrophobicContact CB-CB 3.64Å; F181-A209 HydrophobicContact CD1-CB 4.22Å; F181-A209 HydrophobicContact CD2-CB 4.09Å; F181-A209 HydrophobicContact CG-CB 3.72Å; F181-V221 HydrophobicContact CE2-CG2 3.75Å; F181-V221 HydrophobicContact CZ-CB 4.49Å; F181-V221 HydrophobicContact CZ-CG1 3.85Å; F181-V221 HydrophobicContact CZ-CG2 3.89Å
182M89.3Confident94.2Very high126 Ų12644.9 Ų44.962%0.62128%0.277SS*.THydrogen-bonded Turntrans46.239.9179-60.5-175.3-73.300113.5Q27 A179 N184Q27-M182 HydrophobicContact CG-CE 4.14Å; A179-M182 WeakPolarHBondContact O-CG 3.45Å; M182-N184 PolarHBondContact O-N 2.99Å; M182-N184 PolarHBondContact O-ND2 3.15Å
183G87.3Confident94.3Very high82 Ų8239.5 Ų39.585%0.84526%0.256SS*.THydrogen-bonded Turntrans75.41-177.300000115.8F181F181-G183 PolarHBondContact O-N 3.34Å; F181-G183 VanDerWaalsContact O-N 3.08Å
184N92.1Very high94Very high45 Ų4541.1 Ų41.124%0.24126%0.259CS..  trans-84.3160.7176.1-62-83000112.2F181 M182 F186 H245 T279F181-N184 WeakPolarHBondContact O-CA 3.46Å; F181-N184 VanDerWaalsContact O-CB 3.26Å; F181-N184 WeakPolarHBondContact O-CB 3.44Å; F181-N184 PolarHBondContact O-N 3.5Å; F181-N184 PolarHBondContact O-ND2 2.86Å; F181-N184 VanDerWaalsContact O-ND2 3.1Å; M182-N184 PolarHBondContact O-N 2.99Å; M182-N184 PolarHBondContact O-ND2 3.15Å; N184-F186 HydrophobicContact CB-CD2 4.45Å; N184-F186 HydrophobicContact CB-CE2 3.74Å; N184-F186 HydrophobicContact CB-CZ 4.14Å; N184-H245 PolarHBondContact OD1-NE2 3.26Å; N184-T279 HydrophobicContact CB-CG2 4.13Å
185I94Very high93.6Very high35 Ų3542.8 Ų42.818%0.17927%0.266CS..EExtended strand (participates in β ladder)trans-103.3150.5163.461.1161.4000109.9L206 L207 L241 T279 L280I185-L206 HydrophobicContact CD1-CD1 3.98Å; I185-L206 HydrophobicContact CD1-CD2 4.28Å; I185-L207 CarbonylContact C-O 3.46Å; I185-L207 VanDerWaalsContact CA-O 3.3Å; I185-L207 WeakPolarHBondContact CA-O 3.43Å; I185-L241 WeakPolarHBondContact CD1-O 3.39Å; I185-T279 WeakPolarHBondContact O-CB 3.48Å; I185-T279 PolarHBondContact O-OG1 3.06Å; I185-L280 HydrophobicContact CD1-CD1 4.17Å; I185-L280 HydrophobicContact CD1-CD2 4.1Å; I185-L280 HydrophobicContact CG1-CD2 4.09Å
186F96.3Very high92.8Very high8 Ų843.2 Ų43.24%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-127.6149.8178.4-65.8-100.2000109.9M176 F181 N184 L206 L207 T279 H312M176-F186 HydrophobicContact CE-CB 4.37Å; M176-F186 HydrophobicContact CE-CD1 4.08Å; M176-F186 HydrophobicContact CE-CD2 3.37Å; M176-F186 HydrophobicContact CE-CE1 4.19Å; M176-F186 HydrophobicContact CE-CE2 3.53Å; M176-F186 HydrophobicContact CE-CG 3.67Å; M176-F186 HydrophobicContact CE-CZ 3.93Å; M176-F186 HydrophobicContact SD-CD1 4.41Å; M176-F186 HydrophobicContact SD-CE1 4.19Å; M176-F186 HydrophobicContact SD-CE2 4.34Å; M176-F186 HydrophobicContact SD-CZ 4.14Å; F181-F186 AromaticContact CD1-CD2 3.75Å; F181-F186 HydrophobicContact CD1-CD2 3.75Å; F181-F186 AromaticContact CD1-CE2 3.93Å; F181-F186 HydrophobicContact CD1-CE2 3.93Å; F181-F186 AromaticContact CE1-CD2 3.94Å; F181-F186 HydrophobicContact CE1-CD2 3.94Å; F181-F186 HydrophobicContact CE1-CE2 4.5Å; F181-F186 HydrophobicContact CG-CE2 4.35Å; N184-F186 HydrophobicContact CB-CD2 4.45Å; N184-F186 HydrophobicContact CB-CE2 3.74Å; N184-F186 HydrophobicContact CB-CZ 4.14Å; F186-L206 CarbonylContact O-C 3.55Å; F186-L206 VanDerWaalsContact O-CA 3.27Å; F186-L206 WeakPolarHBondContact O-CA 3.43Å; F186-L207 HydrophobicContact CB-CB 4.43Å; F186-L207 PolarHBondContact N-O 3.06Å; F186-L207 PolarHBondContact O-N 3.1Å; F186-T279 HydrophobicContact CD1-CG2 4.2Å; F186-T279 HydrophobicContact CE1-CG2 3.71Å; F186-T279 HydrophobicContact CZ-CG2 3.98Å; F186-H312 AromaticContact CD1-CE1 3.78Å; F186-H312 AromaticContact CD1-ND1 3.88Å; F186-H312 AromaticContact CE1-CE1 3.47Å; F186-H312 VanDerWaalsContact CE1-CE1 3.47Å; F186-H312 WeakPolarHBondContact CE1-CE1 3.45Å; F186-H312 AromaticContact CE1-NE2 3.61Å
187A96Very high92.2Very high19 Ų1945.7 Ų45.716%0.15730%0.3CS..EExtended strand (participates in β ladder)trans-82.9127.3171.500000109.5V190 L280A187-V190 HydrophobicContact CB-CG2 4.16Å; A187-L280 HydrophobicContact CB-CB 4.3Å; A187-L280 HydrophobicContact CB-CD2 4.06Å
188E94.9Very high91.9Very high68 Ų6844 Ų4432%0.31829%0.29SS..EExtended strand (participates in β ladder)trans-80.8-48.6163.9-178.6173.1-110.100109.9R205 L207 Y223E188-R205 PolarHBondContact N-O 2.8Å; E188-R205 WeakPolarHBondContact OE2-CD 3.38Å; E188-R205 IonicContact OE2-CZ 2.98Å; E188-R205 IonicContact OE2-NE 3.18Å; E188-R205 IonicContact OE2-NH1 2.74Å; E188-R205 PolarHBondContact OE2-NH1 2.93Å; E188-L207 HydrophobicContact CB-CD1 4.12Å; E188-L207 HydrophobicContact CB-CD2 4.24Å; E188-L207 HydrophobicContact CB-CG 4Å; E188-Y223 WeakPolarHBondContact OE1-CE1 3.47Å
189C96.1Very high91.9Very high10 Ų1040.9 Ų40.97%0.06827%0.274CS..EExtended strand (participates in β ladder)trans-152157.8174.4680000111.7R205 D315C189-R205 PolarHBondContact O-N 3.43Å; C189-D315 CarbonylContact C-O 3.57Å; C189-D315 VanDerWaalsContact CA-O 3.28Å; C189-D315 WeakPolarHBondContact CA-O 3.44Å
190V98.3Very high92.1Very high0 Ų039.5 Ų39.50%026%0.256CS..EExtended strand (participates in β ladder)trans-130.3108.6178.5-179.70000110.5A187 L202 K203 L204 L298 C314 D315 F316 K317A187-V190 HydrophobicContact CB-CG2 4.16Å; V190-L202 HydrophobicContact CG1-CB 4.17Å; V190-L202 HydrophobicContact CG1-CD1 4.39Å; V190-L202 HydrophobicContact CG1-CD2 4.02Å; V190-L202 HydrophobicContact CG1-CG 4.43Å; V190-K203 CarbonylContact C-O 3.59Å; V190-K203 WeakPolarHBondContact CA-O 3.41Å; V190-L204 HydrophobicContact CG1-CG 4.36Å; V190-L204 HydrophobicContact CG2-CD2 4.12Å; V190-L204 HydrophobicContact CG2-CG 4.09Å; V190-L298 HydrophobicContact CG1-CD2 4.43Å; V190-C314 VanDerWaalsContact CG2-SG 3.56Å; V190-D315 PolarHBondContact N-O 3.34Å; V190-F316 HydrophobicContact CB-CB 4.29Å; V190-F316 CarbonylContact O-C 3.49Å; V190-F316 WeakPolarHBondContact O-CA 3.45Å; V190-F316 WeakPolarHBondContact O-CB 3.48Å; V190-K317 PolarHBondContact O-N 3Å
191D98.2Very high92.2Very high49 Ų4939.3 Ų39.326%0.26226%0.255SS..EExtended strand (participates in β ladder)trans-87.5123.2173.6-60-55.9000109.5L193 K203D191-L193 PolarHBondContact O-N 2.75Å; D191-K203 HydrophobicContact CB-CB 4.3Å; D191-K203 PolarHBondContact N-O 2.98Å; D191-K203 PolarHBondContact O-N 2.85Å
192V97Very high92.4Very high4 Ų439.2 Ų39.22%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-79.8111.5173.7176.90000108.8P199 L202 L298 K317 I318 P319 L397V192-P199 HydrophobicContact CG1-CB 4.48Å; V192-L202 HydrophobicContact CG2-CD2 3.86Å; V192-L298 HydrophobicContact CG2-CD1 3.7Å; V192-K317 PolarHBondContact N-O 2.77Å; V192-I318 HydrophobicContact CB-CB 4.46Å; V192-I318 HydrophobicContact CB-CG1 4.05Å; V192-I318 HydrophobicContact CB-CG2 4.37Å; V192-I318 HydrophobicContact CG1-CG2 4.41Å; V192-I318 HydrophobicContact CG2-CD1 4.11Å; V192-I318 HydrophobicContact CG2-CG1 3.68Å; V192-P319 WeakPolarHBondContact O-CD 3.37Å; V192-L397 HydrophobicContact CB-CD1 4.46Å; V192-L397 HydrophobicContact CG1-CD1 3.68Å; V192-L397 HydrophobicContact CG1-CD2 4.4Å; V192-L397 HydrophobicContact CG2-CD1 3.88Å
193L95.2Very high92.9Very high50 Ų5035.8 Ų35.826%0.26224%0.236SC..EExtended strand (participates in β ladder)trans-77.5129.9176-55.3-179.9000108.8D191 L200 G201 K203 F229D191-L193 PolarHBondContact O-N 2.75Å; L193-L200 HydrophobicContact CB-CB 4.42Å; L193-L200 PolarHBondContact O-N 3.02Å; L193-G201 PolarHBondContact N-O 2.78Å; L193-G201 PolarHBondContact O-N 3.46Å; L193-K203 HydrophobicContact CD1-CB 4.1Å; L193-K203 HydrophobicContact CD2-CB 3.91Å; L193-K203 HydrophobicContact CD2-CD 4.45Å; L193-K203 HydrophobicContact CG-CB 4.01Å; L193-F229 HydrophobicContact CD1-CE1 3.58Å; L193-F229 HydrophobicContact CD1-CZ 3.92Å
194R90.4Very high93.4Very high48 Ų4831.9 Ų31.918%0.18120%0.196CC..EExtended strand (participates in β ladder)trans-151159.8-179.663.5174-61.5177.6-2.3112.1G198 P319 Q380R194-G198 VanDerWaalsContact CA-O 3.26Å; R194-G198 WeakPolarHBondContact CA-O 3.13Å; R194-G198 VanDerWaalsContact CB-O 3.32Å; R194-G198 WeakPolarHBondContact CB-O 3.48Å; R194-P319 WeakPolarHBondContact CD-O 3.5Å; R194-P319 HydrophobicContact CG-CB 4.42Å; R194-P319 HydrophobicContact CG-CG 4.04Å; R194-P319 PolarHBondContact NH1-O 3.01Å; R194-Q380 VanDerWaalsContact CZ-OE1 3.31Å
195D86.1Confident93.7Very high68 Ų6834.6 Ų34.636%0.36420%0.202SC..EExtended strand (participates in β ladder)trans-125.8-168.5170.566.612.9000111A197 G198 L200D195-A197 PolarHBondContact O-N 3.3Å; D195-A197 VanDerWaalsContact OD1-CA 3.32Å; D195-A197 WeakPolarHBondContact OD1-CA 3.23Å; D195-A197 WeakPolarHBondContact OD1-CB 3.3Å; D195-A197 PolarHBondContact OD1-N 3.15Å; D195-G198 PolarHBondContact N-O 3.28Å; D195-G198 PolarHBondContact O-N 3.19Å; D195-G198 PolarHBondContact OD1-N 3.05Å; D195-L200 HydrophobicContact CB-CD1 4.09Å
196G77.4Confident93.8Very high89 Ų8933.1 Ų33.192%0.91820%0.195SC*.THydrogen-bonded Turntrans-63.7-19.5176.700000114.4
197A82.1Confident93.7Very high62 Ų6233.1 Ų33.151%0.51220%0.195SC..THydrogen-bonded Turntrans-90.7-20.5176.600000112.8D195 R381D195-A197 PolarHBondContact O-N 3.3Å; D195-A197 VanDerWaalsContact OD1-CA 3.32Å; D195-A197 WeakPolarHBondContact OD1-CA 3.23Å; D195-A197 WeakPolarHBondContact OD1-CB 3.3Å; D195-A197 PolarHBondContact OD1-N 3.15Å; A197-R381 WeakPolarHBondContact O-CD 3.45Å; A197-R381 VanDerWaalsContact O-CZ 3.25Å; A197-R381 PolarHBondContact O-NE 2.96Å; A197-R381 PolarHBondContact O-NH1 2.92Å
198G87.4Confident93.5Very high5 Ų533.5 Ų33.55%0.05220%0.196CC..EExtended strand (participates in β ladder)trans140.4-161.3171.200000113.9R194 D195 L200R194-G198 VanDerWaalsContact CA-O 3.26Å; R194-G198 WeakPolarHBondContact CA-O 3.13Å; R194-G198 VanDerWaalsContact CB-O 3.32Å; R194-G198 WeakPolarHBondContact CB-O 3.48Å; D195-G198 PolarHBondContact N-O 3.28Å; D195-G198 PolarHBondContact O-N 3.19Å; D195-G198 PolarHBondContact OD1-N 3.05Å; G198-L200 PolarHBondContact O-N 2.99Å
199P93.3Very high93.2Very high6 Ų632.1 Ų32.14%0.03920%0.196CC..EExtended strand (participates in β ladder)trans-61.2134.2177.5-23.635.4000112.4V192 F230 M382 L397V192-P199 HydrophobicContact CG1-CB 4.48Å; P199-F230 HydrophobicContact CB-CE2 3.92Å; P199-F230 WeakPolarHBondContact O-CD2 3.31Å; P199-F230 VanDerWaalsContact O-CE2 3.3Å; P199-F230 WeakPolarHBondContact O-CE2 3.42Å; P199-M382 HydrophobicContact CG-CG 3.88Å; P199-M382 HydrophobicContact CG-SD 4.23Å; P199-L397 HydrophobicContact CB-CB 4.27Å; P199-L397 HydrophobicContact CG-CB 4.47Å; P199-L397 HydrophobicContact CG-CD2 4.39Å
200L94.7Very high92.2Very high49 Ų4932.5 Ų32.526%0.25720%0.201SC..EExtended strand (participates in β ladder)trans-104.6-34.7178.6-66.7176.4000112.6L193 D195 G198 F229 F230L193-L200 HydrophobicContact CB-CB 4.42Å; L193-L200 PolarHBondContact O-N 3.02Å; D195-L200 HydrophobicContact CB-CD1 4.09Å; G198-L200 PolarHBondContact O-N 2.99Å; L200-F229 WeakPolarHBondContact O-CA 3.37Å; L200-F230 WeakPolarHBondContact O-CD2 3.27Å; L200-F230 PolarHBondContact O-N 3.04Å; L200-F230 VanDerWaalsContact O-N 3.08Å
201G96.4Very high90.5Very high0 Ų036.6 Ų36.60%023%0.23CC..EExtended strand (participates in β ladder)trans171.4-169.6-172.300000112.8L193 I228L193-G201 PolarHBondContact N-O 2.78Å; L193-G201 PolarHBondContact O-N 3.46Å; G201-I228 CarbonylContact C-O 3.57Å; G201-I228 WeakPolarHBondContact CA-O 3.5Å
202L98.2Very high88.6Confident0 Ų035.6 Ų35.60%023%0.231CC..EExtended strand (participates in β ladder)trans-121.5138.4179.1-56.1-179.6000109.3V190 V192 L204 S227 I228 V282 F296 L298 L397V190-L202 HydrophobicContact CG1-CB 4.17Å; V190-L202 HydrophobicContact CG1-CD1 4.39Å; V190-L202 HydrophobicContact CG1-CD2 4.02Å; V190-L202 HydrophobicContact CG1-CG 4.43Å; V192-L202 HydrophobicContact CG2-CD2 3.86Å; L202-L204 HydrophobicContact CB-CD1 3.76Å; L202-S227 CarbonylContact O-C 3.44Å; L202-S227 VanDerWaalsContact O-CA 3.25Å; L202-S227 WeakPolarHBondContact O-CA 3.37Å; L202-I228 HydrophobicContact CB-CD1 4.46Å; L202-I228 HydrophobicContact CB-CG1 3.92Å; L202-I228 HydrophobicContact CD1-CD1 4.25Å; L202-I228 HydrophobicContact CG-CG1 4.5Å; L202-I228 PolarHBondContact N-O 2.92Å; L202-I228 PolarHBondContact O-N 3.49Å; L202-V282 HydrophobicContact CD1-CG1 3.96Å; L202-F296 HydrophobicContact CD1-CB 4.09Å; L202-F296 HydrophobicContact CD1-CD1 3.63Å; L202-F296 HydrophobicContact CD1-CD2 4.4Å; L202-F296 HydrophobicContact CD1-CE1 4.12Å; L202-F296 HydrophobicContact CD1-CG 3.78Å; L202-F296 HydrophobicContact CG-CD1 4.17Å; L202-F296 HydrophobicContact CG-CD2 4.15Å; L202-F296 HydrophobicContact CG-CE1 4.4Å; L202-F296 HydrophobicContact CG-CE2 4.38Å; L202-F296 HydrophobicContact CG-CG 4.03Å; L202-F296 HydrophobicContact CG-CZ 4.48Å; L202-L298 HydrophobicContact CD1-CD2 3.84Å; L202-L298 HydrophobicContact CD2-CD1 4.42Å; L202-L298 HydrophobicContact CD2-CD2 4.13Å; L202-L397 HydrophobicContact CD2-CD1 3.68Å
203K98.5Very high86.5Confident55 Ų5544 Ų4424%0.23928%0.275CS..EExtended strand (participates in β ladder)trans-111.6113.4166.5-179.4177.2-178.9177.70107.9V190 D191 L193 E225V190-K203 CarbonylContact C-O 3.59Å; V190-K203 WeakPolarHBondContact CA-O 3.41Å; D191-K203 HydrophobicContact CB-CB 4.3Å; D191-K203 PolarHBondContact N-O 2.98Å; D191-K203 PolarHBondContact O-N 2.85Å; L193-K203 HydrophobicContact CD1-CB 4.1Å; L193-K203 HydrophobicContact CD2-CB 3.91Å; L193-K203 HydrophobicContact CD2-CD 4.45Å; L193-K203 HydrophobicContact CG-CB 4.01Å; K203-E225 WeakPolarHBondContact CE-OE1 3.28Å; K203-E225 WeakPolarHBondContact CE-OE2 3.45Å; K203-E225 HydrophobicContact CG-CG 4.28Å; K203-E225 IonicContact NZ-OE1 3.9Å; K203-E225 PolarHBondContact NZ-OE1 2.88Å; K203-E225 IonicContact NZ-OE2 3.93Å; K203-E225 PolarHBondContact NZ-OE2 3.03Å
204L98.4Very high84.5Confident0 Ų044.3 Ų44.30%029%0.29CS..EExtended strand (participates in β ladder)trans-106.3130.6-175.1-58.390.2000109.7V190 L202 L206 E225 R226 I228 L241 L280V190-L204 HydrophobicContact CG1-CG 4.36Å; V190-L204 HydrophobicContact CG2-CD2 4.12Å; V190-L204 HydrophobicContact CG2-CG 4.09Å; L202-L204 HydrophobicContact CB-CD1 3.76Å; L204-L206 HydrophobicContact CB-CD2 3.81Å; L204-L206 HydrophobicContact CB-CG 4.14Å; L204-L206 HydrophobicContact CD2-CD2 4.17Å; L204-E225 WeakPolarHBondContact O-CA 3.29Å; L204-R226 PolarHBondContact N-O 3.39Å; L204-R226 PolarHBondContact O-N 2.93Å; L204-I228 HydrophobicContact CD1-CD1 4.11Å; L204-I228 HydrophobicContact CD1-CG1 3.92Å; L204-L241 HydrophobicContact CD1-CD2 4.29Å; L204-L241 HydrophobicContact CD2-CD2 4.19Å; L204-L280 HydrophobicContact CD2-CD1 4.17Å
205R97.8Very high82.7Confident102 Ų10249.4 Ų49.439%0.38533%0.327SS..EExtended strand (participates in β ladder)trans-96.7115.9163-168.3-170.3-67.2168.13.6108.5E188 C189E188-R205 PolarHBondContact N-O 2.8Å; E188-R205 WeakPolarHBondContact OE2-CD 3.38Å; E188-R205 IonicContact OE2-CZ 2.98Å; E188-R205 IonicContact OE2-NE 3.18Å; E188-R205 IonicContact OE2-NH1 2.74Å; E188-R205 PolarHBondContact OE2-NH1 2.93Å; C189-R205 PolarHBondContact O-N 3.43Å
206L96.5Very high81Confident3 Ų355 Ų552%0.01635%0.353CS..EExtended strand (participates in β ladder)trans-107.6142.9-170.6-55.7172.4000110.8I185 F186 L204 Y223 L224 R226 L241 L280I185-L206 HydrophobicContact CD1-CD1 3.98Å; I185-L206 HydrophobicContact CD1-CD2 4.28Å; F186-L206 CarbonylContact O-C 3.55Å; F186-L206 VanDerWaalsContact O-CA 3.27Å; F186-L206 WeakPolarHBondContact O-CA 3.43Å; L204-L206 HydrophobicContact CB-CD2 3.81Å; L204-L206 HydrophobicContact CB-CG 4.14Å; L204-L206 HydrophobicContact CD2-CD2 4.17Å; L206-Y223 CarbonylContact O-C 3.49Å; L206-Y223 WeakPolarHBondContact O-CA 3.28Å; L206-L224 HydrophobicContact CB-CB 4.29Å; L206-L224 PolarHBondContact N-O 2.96Å; L206-L224 PolarHBondContact O-N 3.05Å; L206-R226 HydrophobicContact CD1-CB 4.1Å; L206-R226 HydrophobicContact CD1-CG 3.89Å; L206-L241 HydrophobicContact CD1-CD2 3.92Å; L206-L280 HydrophobicContact CD2-CD1 4.32Å; L206-L280 HydrophobicContact CD2-CD2 3.67Å
207L94.7Very high80.1Confident8 Ų852.3 Ų52.34%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-106.5133.2172.3-56.7175.2000109F181 I185 F186 E188 V221 R222 Y223F181-L207 HydrophobicContact CE1-CB 3.83Å; F181-L207 HydrophobicContact CZ-CB 4.15Å; I185-L207 CarbonylContact C-O 3.46Å; I185-L207 VanDerWaalsContact CA-O 3.3Å; I185-L207 WeakPolarHBondContact CA-O 3.43Å; F186-L207 HydrophobicContact CB-CB 4.43Å; F186-L207 PolarHBondContact N-O 3.06Å; F186-L207 PolarHBondContact O-N 3.1Å; E188-L207 HydrophobicContact CB-CD1 4.12Å; E188-L207 HydrophobicContact CB-CD2 4.24Å; E188-L207 HydrophobicContact CB-CG 4Å; L207-V221 HydrophobicContact CB-CG1 4.41Å; L207-V221 HydrophobicContact CD2-CG1 4.23Å; L207-R222 WeakPolarHBondContact CA-O 3.47Å; L207-Y223 HydrophobicContact CD2-CD1 3.4Å; L207-Y223 HydrophobicContact CD2-CE1 3.18Å; L207-Y223 HydrophobicContact CD2-CG 4.21Å
208T91.6Very high79.3Confident28 Ų2855.7 Ų55.717%0.17233%0.331CS..EExtended strand (participates in β ladder)trans-141.8148.9174.1-172.10000111.2V221 R222 L224T208-V221 WeakPolarHBondContact O-CA 3.03Å; T208-R222 HydrophobicContact CG2-CB 4.07Å; T208-R222 PolarHBondContact N-O 2.85Å; T208-R222 PolarHBondContact O-N 3.01Å; T208-L224 HydrophobicContact CG2-CD1 3.79Å; T208-L224 HydrophobicContact CG2-CG 4.5Å
209A89.3Confident78.7Confident39 Ų3957.8 Ų57.832%0.32235%0.348SS..EExtended strand (participates in β ladder)trans-84.4117.3167.400000108.7L178 F181L178-A209 HydrophobicContact CD2-CB 4.16Å; F181-A209 HydrophobicContact CB-CB 3.64Å; F181-A209 HydrophobicContact CD1-CB 4.22Å; F181-A209 HydrophobicContact CD2-CB 4.09Å; F181-A209 HydrophobicContact CG-CB 3.72Å
210G75.7Confident78.4Confident18 Ų1864.2 Ų64.219%0.18638%0.376CS..EExtended strand (participates in β ladder)trans-129.5146.3178.400000111.7K220G210-K220 PolarHBondContact N-O 3.38Å; G210-K220 VanDerWaalsContact N-O 3.1Å; G210-K220 PolarHBondContact O-N 2.77Å
211S62.6Low78.1Confident86 Ų8664.4 Ų64.460%0.60138%0.378SS*.  trans-74.5142.6166.6-63.60000109.4R222S211-R222 PolarHBondContact O-NH2 2.77Å
212G57.6Low77.8Confident27 Ų2769.3 Ų69.328%0.27840%0.397SS..  trans-53.1160.1165.500000112.3G214 A217G212-G214 PolarHBondContact O-N 3Å; G212-A217 VanDerWaalsContact C-CB 3.5Å; G212-A217 WeakPolarHBondContact O-CB 3.44Å
213L51.7Low77.4Confident180 Ų18076.1 Ų76.194%0.94242%0.424SS*.SBendtrans-70.4110.1164.6-73.1161.8000107.3
214G53.6Low77.2Confident57 Ų5776.6 Ų76.659%0.58843%0.428SS*.SBendtrans149.3157.3178.100000114G212 M216G212-G214 PolarHBondContact O-N 3Å; G214-M216 PolarHBondContact O-N 3.1Å
215V53.3Low77.1Confident156 Ų15681 Ų8195%0.94545%0.449SS*.THydrogen-bonded Turntrans-70.3-13.5-175.6-176.40000112.9
216M50.1Low77.1Confident185 Ų18581 Ų8191%0.91145%0.449SS*.THydrogen-bonded Turntrans-13846.8178.8-60.3-151.611700112.4G214G214-M216 PolarHBondContact O-N 3.1Å
217A58.3Low77.2Confident32 Ų3283 Ų8326%0.26446%0.463SS..PPolyproline II helixtrans-91.4117.3179.200000112.3G212 A219G212-A217 VanDerWaalsContact C-CB 3.5Å; G212-A217 WeakPolarHBondContact O-CB 3.44Å; A217-A219 PolarHBondContact O-N 3.23Å
218D64.8Low77.3Confident133 Ų13382.6 Ų82.671%0.71146%0.461SS*.PPolyproline II helixtrans-53.2133.2168.7-78.3-24.6000110.7K220D218-K220 PolarHBondContact O-N 3.22Å
219A75.9Confident77.6Confident50 Ų5082 Ų8241%0.41346%0.456SS..PPolyproline II helixtrans-59.6128.8172.700000109.1L178 A217L178-A219 HydrophobicContact CD1-CB 4.39Å; L178-A219 WeakPolarHBondContact CD1-O 3.45Å; A217-A219 PolarHBondContact O-N 3.23Å
220K86.3Confident77.9Confident141 Ų14180.4 Ų80.461%0.61344%0.442SS*.EExtended strand (participates in β ladder)trans-132.5153.8177.1-68.5-177.5-176.7-1790109.9G210 D218 R222G210-K220 PolarHBondContact N-O 3.38Å; G210-K220 VanDerWaalsContact N-O 3.1Å; G210-K220 PolarHBondContact O-N 2.77Å; D218-K220 PolarHBondContact O-N 3.22Å; K220-R222 PolarHBondContact O-N 3.17Å
221V88.6Confident78.9Confident52 Ų5280.7 Ų80.732%0.31545%0.445SS..EExtended strand (participates in β ladder)trans-69.6131.1171.1-177.80000107.8L178 F181 L207 T208L178-V221 HydrophobicContact CD2-CG2 3.58Å; L178-V221 HydrophobicContact CG-CG2 4.39Å; F181-V221 HydrophobicContact CE2-CG2 3.75Å; F181-V221 HydrophobicContact CZ-CB 4.49Å; F181-V221 HydrophobicContact CZ-CG1 3.85Å; F181-V221 HydrophobicContact CZ-CG2 3.89Å; L207-V221 HydrophobicContact CB-CG1 4.41Å; L207-V221 HydrophobicContact CD2-CG1 4.23Å; T208-V221 WeakPolarHBondContact O-CA 3.03Å
222R89.9Confident80.5Confident104 Ų10477.3 Ų77.339%0.39242%0.42SS..EExtended strand (participates in β ladder)trans-119.2150.8176.9-66.6-173.4177.6-1583.2110.6L207 T208 S211 K220L207-R222 WeakPolarHBondContact CA-O 3.47Å; T208-R222 HydrophobicContact CG2-CB 4.07Å; T208-R222 PolarHBondContact N-O 2.85Å; T208-R222 PolarHBondContact O-N 3.01Å; S211-R222 PolarHBondContact O-NH2 2.77Å; K220-R222 PolarHBondContact O-N 3.17Å
223Y90.9Very high82.4Confident143 Ų14377.2 Ų77.256%0.56142%0.415SS*.EExtended strand (participates in β ladder)trans-105.6134.5177.7-62.3-97.8000109.3E188 L206 L207E188-Y223 WeakPolarHBondContact OE1-CE1 3.47Å; L206-Y223 CarbonylContact O-C 3.49Å; L206-Y223 WeakPolarHBondContact O-CA 3.28Å; L207-Y223 HydrophobicContact CD2-CD1 3.4Å; L207-Y223 HydrophobicContact CD2-CE1 3.18Å; L207-Y223 HydrophobicContact CD2-CG 4.21Å
224L93.5Very high84.5Confident64 Ų6469.3 Ų69.334%0.33537%0.374SS..EExtended strand (participates in β ladder)trans-132.2135.3176.3-65.2165.2000108.6L206 T208L206-L224 HydrophobicContact CB-CB 4.29Å; L206-L224 PolarHBondContact N-O 2.96Å; L206-L224 PolarHBondContact O-N 3.05Å; T208-L224 HydrophobicContact CG2-CD1 3.79Å; T208-L224 HydrophobicContact CG2-CG 4.5Å
225E96.9Very high86.6Confident93 Ų9373.2 Ų73.244%0.43538%0.378SS..EExtended strand (participates in β ladder)trans-105.8128.1173.7-168.2172.594.800109.6K203 L204K203-E225 WeakPolarHBondContact CE-OE1 3.28Å; K203-E225 WeakPolarHBondContact CE-OE2 3.45Å; K203-E225 HydrophobicContact CG-CG 4.28Å; K203-E225 IonicContact NZ-OE1 3.9Å; K203-E225 PolarHBondContact NZ-OE1 2.88Å; K203-E225 IonicContact NZ-OE2 3.93Å; K203-E225 PolarHBondContact NZ-OE2 3.03Å; L204-E225 WeakPolarHBondContact O-CA 3.29Å
226R97.7Very high88.7Confident101 Ų10168.6 Ų68.638%0.38135%0.348SS..EExtended strand (participates in β ladder)trans-139.5140.7-176.8-67.1-67.6-178.7-95.15110.4L204 L206 A240 L241L204-R226 PolarHBondContact N-O 3.39Å; L204-R226 PolarHBondContact O-N 2.93Å; L206-R226 HydrophobicContact CD1-CB 4.1Å; L206-R226 HydrophobicContact CD1-CG 3.89Å; R226-A240 HydrophobicContact CB-CB 4.45Å; R226-A240 WeakPolarHBondContact CG-O 3.45Å; R226-L241 HydrophobicContact CB-CD2 4.44Å
227S97.9Very high91Very high45 Ų4559.8 Ų59.832%0.31530%0.304SS..EExtended strand (participates in β ladder)trans-119.8139.2177.6-57.90000110.2L202L202-S227 CarbonylContact O-C 3.44Å; L202-S227 VanDerWaalsContact O-CA 3.25Å; L202-S227 WeakPolarHBondContact O-CA 3.37Å
228I97.6Very high92.9Very high0 Ų061.5 Ų61.50%031%0.309CS..EExtended strand (participates in β ladder)trans-131.3145.3173.856.9176.4000109.2G201 L202 L204 D232 V237 A240 L241 I284 F296G201-I228 CarbonylContact C-O 3.57Å; G201-I228 WeakPolarHBondContact CA-O 3.5Å; L202-I228 HydrophobicContact CB-CD1 4.46Å; L202-I228 HydrophobicContact CB-CG1 3.92Å; L202-I228 HydrophobicContact CD1-CD1 4.25Å; L202-I228 HydrophobicContact CG-CG1 4.5Å; L202-I228 PolarHBondContact N-O 2.92Å; L202-I228 PolarHBondContact O-N 3.49Å; L204-I228 HydrophobicContact CD1-CD1 4.11Å; L204-I228 HydrophobicContact CD1-CG1 3.92Å; I228-D232 WeakPolarHBondContact CA-OD2 3.27Å; I228-V237 HydrophobicContact CG2-CG2 4.43Å; I228-A240 HydrophobicContact CG2-CB 3.77Å; I228-L241 HydrophobicContact CD1-CD1 3.85Å; I228-L241 HydrophobicContact CG2-CG 4.42Å; I228-I284 HydrophobicContact CD1-CD1 3.49Å; I228-I284 VanDerWaalsContact CD1-CD1 3.49Å; I228-I284 HydrophobicContact CD1-CG1 4.43Å; I228-F296 HydrophobicContact CD1-CD1 4.36Å; I228-F296 HydrophobicContact CD1-CE1 3.61Å; I228-F296 HydrophobicContact CD1-CZ 4.26Å; I228-F296 HydrophobicContact CG1-CE1 3.99Å; I228-F296 HydrophobicContact CG1-CZ 4.14Å
229F97.2Very high94.4Very high16 Ų1658.4 Ų58.47%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-129.7160.8-170.5-61.1-86.8000112L193 L200 G231 D232 R402 P409L193-F229 HydrophobicContact CD1-CE1 3.58Å; L193-F229 HydrophobicContact CD1-CZ 3.92Å; L200-F229 WeakPolarHBondContact O-CA 3.37Å; F229-G231 PolarHBondContact O-N 3.14Å; F229-D232 PolarHBondContact N-OD2 3.24Å; F229-D232 WeakPolarHBondContact O-CB 3.2Å; F229-D232 PolarHBondContact O-N 2.86Å; F229-R402 VanDerWaalsContact CG-NH1 3.34Å; F229-P409 HydrophobicContact CE1-CG 4.33Å; F229-P409 HydrophobicContact CZ-CG 4.2Å
230F96.5Very high95.4Very high6 Ų657 Ų573%0.02630%0.296CS..THydrogen-bonded Turntrans-59.7135.9163.5-67-69.7000110P199 L200 V293 K294 F296 L397P199-F230 HydrophobicContact CB-CE2 3.92Å; P199-F230 WeakPolarHBondContact O-CD2 3.31Å; P199-F230 VanDerWaalsContact O-CE2 3.3Å; P199-F230 WeakPolarHBondContact O-CE2 3.42Å; L200-F230 WeakPolarHBondContact O-CD2 3.27Å; L200-F230 PolarHBondContact O-N 3.04Å; L200-F230 VanDerWaalsContact O-N 3.08Å; F230-V293 HydrophobicContact CD1-CG1 4.28Å; F230-K294 WeakPolarHBondContact CE1-O 3.45Å; F230-F296 HydrophobicContact CD1-CD2 4.3Å; F230-F296 AromaticContact CD1-CE2 3.95Å; F230-F296 HydrophobicContact CD1-CE2 3.95Å; F230-F296 HydrophobicContact CD2-CE2 4.2Å; F230-F296 AromaticContact CE1-CD2 3.61Å; F230-F296 HydrophobicContact CE1-CD2 3.61Å; F230-F296 AromaticContact CE1-CE2 3.73Å; F230-F296 HydrophobicContact CE1-CE2 3.73Å; F230-F296 HydrophobicContact CE2-CD2 4.01Å; F230-F296 AromaticContact CE2-CE2 3.97Å; F230-F296 HydrophobicContact CE2-CE2 3.97Å; F230-F296 HydrophobicContact CG-CE2 4.18Å; F230-F296 AromaticContact CZ-CD2 3.45Å; F230-F296 HydrophobicContact CZ-CD2 3.45Å; F230-F296 VanDerWaalsContact CZ-CD2 3.45Å; F230-F296 AromaticContact CZ-CE2 3.75Å; F230-F296 HydrophobicContact CZ-CE2 3.75Å; F230-L397 HydrophobicContact CZ-CB 4Å
231G95.4Very high95.8Very high23 Ų2350.5 Ų50.524%0.23727%0.268CS..THydrogen-bonded Turntrans88.2-5.1-175.300000115.1F229 L292 V293F229-G231 PolarHBondContact O-N 3.14Å; G231-L292 WeakPolarHBondContact O-CD2 3.34Å; G231-V293 PolarHBondContact N-O 3.03Å
232D97.1Very high96.1Very high16 Ų1649.7 Ų49.79%0.08627%0.27CS..  trans-66.2145.8173.6-78.7-9.6000110.8I228 F229 D236 V237 L292 V293I228-D232 WeakPolarHBondContact CA-OD2 3.27Å; F229-D232 PolarHBondContact N-OD2 3.24Å; F229-D232 WeakPolarHBondContact O-CB 3.2Å; F229-D232 PolarHBondContact O-N 2.86Å; D232-D236 HydrophobicContact CB-CB 3.97Å; D232-V237 HydrophobicContact CB-CG2 4.26Å; D232-L292 CarbonylContact O-C 3.58Å; D232-L292 WeakPolarHBondContact O-CA 3.47Å; D232-V293 HydrophobicContact CB-CG2 4.24Å; D232-V293 WeakPolarHBondContact O-CG2 3.17Å; D232-V293 PolarHBondContact O-N 3.04Å
233S97.3Very high96.4Very high25 Ų2549.4 Ų49.418%0.17528%0.284CS..BIsolated β-bridgetrans-76.8167.5175.569.20000111.6Q235 D236 V237S233-Q235 PolarHBondContact O-N 2.81Å; S233-Q235 PolarHBondContact OG-N 3.43Å; S233-D236 WeakPolarHBondContact CB-OD2 3.29Å; S233-D236 PolarHBondContact N-OD2 2.85Å; S233-D236 PolarHBondContact O-N 2.86Å; S233-D236 VanDerWaalsContact OG-CG 3.31Å; S233-D236 PolarHBondContact OG-N 2.8Å; S233-D236 VanDerWaalsContact OG-N 3.12Å; S233-D236 PolarHBondContact OG-OD2 3.17Å; S233-V237 WeakPolarHBondContact O-CG2 3.27Å; S233-V237 PolarHBondContact O-N 3.14Å; S233-V237 VanDerWaalsContact O-N 3.11Å
234C96.1Very high96.7Very high13 Ų1343.7 Ų43.79%0.08826%0.264CS..Hα-helixtrans-56.8-37.6169.7-68.50000112.6V237 L238 Y273 F275 F286C234-V237 PolarHBondContact O-N 2.89Å; C234-L238 WeakPolarHBondContact O-CB 3.44Å; C234-L238 WeakPolarHBondContact O-CG 3.42Å; C234-L238 PolarHBondContact O-N 2.77Å; C234-Y273 PolarHBondContact SG-OH 3.15Å; C234-F275 HydrophobicContact CB-CE2 4.2Å; C234-F275 HydrophobicContact CB-CZ 4.16Å; C234-F286 HydrophobicContact CB-CE1 4.28Å; C234-F286 WeakPolarHBondContact SG-CD1 3.24Å; C234-F286 WeakPolarHBondContact SG-CE1 3.14Å
235Q97.3Very high96.9Very high140 Ų14044.1 Ų44.165%0.65427%0.265SS*.Hα-helixtrans-67.2-40.3-180-67.578.50.900111.4S233 L238 G239S233-Q235 PolarHBondContact O-N 2.81Å; S233-Q235 PolarHBondContact OG-N 3.43Å; Q235-L238 PolarHBondContact O-N 2.77Å; Q235-G239 PolarHBondContact O-N 2.86Å
236D97.9Very high96.9Very high59 Ų5945.1 Ų45.132%0.31627%0.267SS..Hα-helixtrans-60.5-47.2174.3-67.4-64.9000110.6D232 S233 G239 A240 R408D232-D236 HydrophobicContact CB-CB 3.97Å; S233-D236 WeakPolarHBondContact CB-OD2 3.29Å; S233-D236 PolarHBondContact N-OD2 2.85Å; S233-D236 PolarHBondContact O-N 2.86Å; S233-D236 VanDerWaalsContact OG-CG 3.31Å; S233-D236 PolarHBondContact OG-N 2.8Å; S233-D236 VanDerWaalsContact OG-N 3.12Å; S233-D236 PolarHBondContact OG-OD2 3.17Å; D236-G239 PolarHBondContact O-N 3.25Å; D236-A240 WeakPolarHBondContact O-CB 3.46Å; D236-A240 PolarHBondContact O-N 3.17Å; D236-R408 IonicContact OD1-NH2 2.96Å; D236-R408 PolarHBondContact OD1-NH2 3.13Å
237V98Very high96.9Very high0 Ų043 Ų430%027%0.266CS..Hα-helixtrans-64.8-44.5179.6173.70000111.7I228 D232 S233 C234 G239 A240 L241 F275 Y277 I284 F286 V293I228-V237 HydrophobicContact CG2-CG2 4.43Å; D232-V237 HydrophobicContact CB-CG2 4.26Å; S233-V237 WeakPolarHBondContact O-CG2 3.27Å; S233-V237 PolarHBondContact O-N 3.14Å; S233-V237 VanDerWaalsContact O-N 3.11Å; C234-V237 PolarHBondContact O-N 2.89Å; V237-G239 VanDerWaalsContact C-N 3.33Å; V237-G239 PolarHBondContact O-N 3.18Å; V237-A240 PolarHBondContact O-N 3.47Å; V237-L241 HydrophobicContact CG1-CD1 4.42Å; V237-L241 PolarHBondContact O-N 2.86Å; V237-F275 HydrophobicContact CG1-CD2 4.29Å; V237-Y277 HydrophobicContact CG1-CE2 4.29Å; V237-I284 HydrophobicContact CG1-CD1 3.56Å; V237-F286 HydrophobicContact CB-CZ 3.99Å; V237-F286 HydrophobicContact CG1-CZ 4.13Å; V237-F286 HydrophobicContact CG2-CE1 4.05Å; V237-F286 HydrophobicContact CG2-CZ 3.83Å; V237-V293 HydrophobicContact CG2-CG2 3.7Å
238L97.5Very high96.7Very high68 Ų6845.4 Ų45.436%0.35627%0.271SS..Hα-helixtrans-64.6-37.4176.7-71.2170.3000111.7C234 Q235 A240 G242 F275C234-L238 WeakPolarHBondContact O-CB 3.44Å; C234-L238 WeakPolarHBondContact O-CG 3.42Å; C234-L238 PolarHBondContact O-N 2.77Å; Q235-L238 PolarHBondContact O-N 2.77Å; L238-A240 VanDerWaalsContact C-N 3.33Å; L238-G242 WeakPolarHBondContact CD2-O 3.45Å; L238-G242 WeakPolarHBondContact O-CA 3.47Å; L238-G242 PolarHBondContact O-N 3.19Å; L238-F275 HydrophobicContact CD1-CE2 4.38Å; L238-F275 HydrophobicContact CD2-CE2 3.92Å; L238-F275 HydrophobicContact CG-CE2 3.94Å
239G96.5Very high96.4Very high68 Ų6852.4 Ų52.470%0.70130%0.298SS*.Hα-helixtrans-67.4-33.6175.300000112.8Q235 D236 V237Q235-G239 PolarHBondContact O-N 2.86Å; D236-G239 PolarHBondContact O-N 3.25Å; V237-G239 VanDerWaalsContact C-N 3.33Å; V237-G239 PolarHBondContact O-N 3.18Å
240A96.6Very high95.8Very high19 Ų1953.8 Ų53.816%0.15730%0.304CS..Hα-helixtrans-79.1-45.2178.400000113R226 I228 D236 V237 L238R226-A240 HydrophobicContact CB-CB 4.45Å; R226-A240 WeakPolarHBondContact CG-O 3.45Å; I228-A240 HydrophobicContact CG2-CB 3.77Å; D236-A240 WeakPolarHBondContact O-CB 3.46Å; D236-A240 PolarHBondContact O-N 3.17Å; V237-A240 PolarHBondContact O-N 3.47Å; L238-A240 VanDerWaalsContact C-N 3.33Å
241L96.3Very high94.7Very high6 Ų657.7 Ų57.73%0.03133%0.332CS..Hα-helixtrans-113.9-7.5-168.1-57.9-172000114.6I185 L204 L206 R226 I228 V237 Y277 L280 I284I185-L241 WeakPolarHBondContact CD1-O 3.39Å; L204-L241 HydrophobicContact CD1-CD2 4.29Å; L204-L241 HydrophobicContact CD2-CD2 4.19Å; L206-L241 HydrophobicContact CD1-CD2 3.92Å; R226-L241 HydrophobicContact CB-CD2 4.44Å; I228-L241 HydrophobicContact CD1-CD1 3.85Å; I228-L241 HydrophobicContact CG2-CG 4.42Å; V237-L241 HydrophobicContact CG1-CD1 4.42Å; V237-L241 PolarHBondContact O-N 2.86Å; L241-Y277 HydrophobicContact CB-CD1 4.47Å; L241-Y277 HydrophobicContact CB-CE1 3.81Å; L241-Y277 HydrophobicContact CD1-CD2 4.41Å; L241-Y277 HydrophobicContact CD1-CE1 4.47Å; L241-Y277 HydrophobicContact CD1-CE2 4.16Å; L241-L280 HydrophobicContact CD1-CD1 4Å; L241-L280 HydrophobicContact CD2-CD1 4.29Å; L241-I284 HydrophobicContact CD1-CD1 3.92Å
242G94.9Very high93.5Very high34 Ų3462.4 Ų62.435%0.35135%0.348SS..  trans75.4-164.4-170.400000112.7L238 Y277L238-G242 WeakPolarHBondContact CD2-O 3.45Å; L238-G242 WeakPolarHBondContact O-CA 3.47Å; L238-G242 PolarHBondContact O-N 3.19Å; G242-Y277 PolarHBondContact O-OH 3.11Å
243S95.5Very high92.3Very high98 Ų9864.2 Ų64.269%0.68536%0.358SS*.  trans-73.3139.3-177.256.60000112.5
244P97.4Very high91.3Very high24 Ų2470.4 Ų70.416%0.15638%0.382CS..  trans-70.1155.5171.231.7-36.5000111.6K246 V247 F275 Y277P244-K246 VanDerWaalsContact C-N 3.29Å; P244-V247 HydrophobicContact CG-CG2 3.94Å; P244-F275 HydrophobicContact CB-CB 3.79Å; P244-F275 HydrophobicContact CB-CG 4.09Å; P244-F275 HydrophobicContact CG-CB 4.06Å; P244-F275 HydrophobicContact CG-CD1 3.97Å; P244-F275 HydrophobicContact CG-CD2 4.08Å; P244-F275 HydrophobicContact CG-CE1 4.43Å; P244-F275 HydrophobicContact CG-CG 3.77Å; P244-Y277 HydrophobicContact CB-CD1 4.44Å; P244-Y277 HydrophobicContact CB-CD2 4.45Å; P244-Y277 HydrophobicContact CB-CE1 4.08Å; P244-Y277 HydrophobicContact CB-CE2 4.09Å
245H97.1Very high90.4Very high73 Ų7374.9 Ų74.934%0.33840%0.402SS..SBendtrans-69-31.7174-62.783.9000112N184 N276 F278 T279N184-H245 PolarHBondContact OD1-NE2 3.26Å; H245-N276 PolarHBondContact N-O 3.39Å; H245-F278 HydrophobicContact CB-CB 4.34Å; H245-F278 HydrophobicContact CB-CD2 3.31Å; H245-F278 HydrophobicContact CB-CE2 3.69Å; H245-F278 HydrophobicContact CB-CG 3.93Å; H245-F278 AromaticContact CG-CD2 3.85Å; H245-F278 PolarHBondContact ND1-N 2.81Å; H245-T279 PolarHBondContact CE1-OG1 2.93Å
246K97.6Very high89.2Confident113 Ų11372 Ų7249%0.49139%0.388SS..EExtended strand (participates in β ladder)trans-148.9143.6178.6-173.2176.1-179.4179.40110.9P244 N276 F278P244-K246 VanDerWaalsContact C-N 3.29Å; K246-N276 HydrophobicContact CB-CB 4.18Å; K246-N276 PolarHBondContact N-O 2.78Å; K246-N276 PolarHBondContact O-N 2.93Å; K246-N276 PolarHBondContact O-OD1 2.99Å; K246-F278 HydrophobicContact CB-CE2 4.09Å; K246-F278 HydrophobicContact CB-CZ 3.8Å; K246-F278 HydrophobicContact CD-CZ 4.16Å
247V96.9Very high88Confident58 Ų5875 Ų7535%0.35240%0.402SS..EExtended strand (participates in β ladder)trans-106.4127.8165.3-1760000108.2P244 Y249 Y273 F274 F275P244-V247 HydrophobicContact CG-CG2 3.94Å; V247-Y249 HydrophobicContact CG1-CD2 4.43Å; V247-Y249 HydrophobicContact CG1-CE2 3.75Å; V247-Y273 HydrophobicContact CG1-CD2 4.25Å; V247-F274 VanDerWaalsContact CA-O 3.27Å; V247-F274 WeakPolarHBondContact CA-O 3.43Å; V247-F275 HydrophobicContact CG1-CD1 4.21Å; V247-F275 HydrophobicContact CG1-CE1 4.18Å; V247-F275 HydrophobicContact CG2-CD1 3.83Å; V247-F275 HydrophobicContact CG2-CE1 3.83Å
248F93.9Very high87Confident95 Ų9581.4 Ų81.442%0.41743%0.432SS..EExtended strand (participates in β ladder)trans-124.7121.5-179.6172.9-100.3000111.1Y273 F274F248-Y273 CarbonylContact O-C 3.53Å; F248-Y273 VanDerWaalsContact O-CA 3.22Å; F248-Y273 WeakPolarHBondContact O-CA 3.13Å; F248-F274 HydrophobicContact CB-CB 4.38Å; F248-F274 AromaticContact CD1-CD2 3.89Å; F248-F274 HydrophobicContact CD1-CD2 3.89Å; F248-F274 PolarHBondContact N-O 3.44Å; F248-F274 PolarHBondContact O-N 3.22Å
249Y90.6Very high85.9Confident146 Ų14679.6 Ų79.657%0.57343%0.425SS*.EExtended strand (participates in β ladder)trans-92.4127177.8-63-90.7000110.2V247 S251 Y273V247-Y249 HydrophobicContact CG1-CD2 4.43Å; V247-Y249 HydrophobicContact CG1-CE2 3.75Å; Y249-S251 PolarHBondContact O-N 3.42Å; Y249-S251 VanDerWaalsContact O-N 3.11Å; Y249-Y273 HydrophobicContact CD1-CD1 4.42Å; Y249-Y273 HydrophobicContact CD1-CG 4.18Å; Y249-Y273 HydrophobicContact CE1-CD1 4.19Å; Y249-Y273 AromaticContact CE1-CG 3.95Å; Y249-Y273 HydrophobicContact CE1-CG 3.95Å
250K85.8Confident84.8Confident46 Ų4682.8 Ų82.820%0.243%0.433CS..  trans-73.6101.7-177.7-172.8-179.8-179.4-175.10110.2E252 D253 N271 D272K250-E252 VanDerWaalsContact CE-O 3.24Å; K250-E252 WeakPolarHBondContact CE-O 3.49Å; K250-E252 WeakPolarHBondContact CG-O 3.03Å; K250-E252 PolarHBondContact O-N 3.09Å; K250-D253 IonicContact NZ-OD1 3.7Å; K250-D253 PolarHBondContact NZ-OD1 3.43Å; K250-D253 IonicContact NZ-OD2 2.77Å; K250-D253 PolarHBondContact NZ-OD2 2.97Å; K250-N271 WeakPolarHBondContact O-CB 3.39Å; K250-N271 PolarHBondContact O-ND2 3.41Å; K250-N271 PolarHBondContact O-OD1 3.43Å; K250-D272 WeakPolarHBondContact CB-O 3.06Å; K250-D272 PolarHBondContact N-O 3.13Å
251S72.9Confident83.5Confident88 Ų8884.5 Ų84.562%0.61544%0.444SS*.  trans-68.9-32.7-178.953.70000113.9Y249Y249-S251 PolarHBondContact O-N 3.42Å; Y249-S251 VanDerWaalsContact O-N 3.11Å
252E70.9Confident81.9Confident121 Ų12187.3 Ų87.357%0.56546%0.463SS*.  trans-140.8145-174.4-66.2178-172.700111.4K250 K254K250-E252 VanDerWaalsContact CE-O 3.24Å; K250-E252 WeakPolarHBondContact CE-O 3.49Å; K250-E252 WeakPolarHBondContact CG-O 3.03Å; K250-E252 PolarHBondContact O-N 3.09Å; E252-K254 WeakPolarHBondContact OE2-CE 3.42Å; E252-K254 IonicContact OE2-NZ 3.78Å
253D72.1Confident80.5Confident55 Ų5594.5 Ų94.529%0.29449%0.487SS..  trans-120.674.7173.7-162.8-1.4000111.4K250 M255 K256K250-D253 IonicContact NZ-OD1 3.7Å; K250-D253 PolarHBondContact NZ-OD1 3.43Å; K250-D253 IonicContact NZ-OD2 2.77Å; K250-D253 PolarHBondContact NZ-OD2 2.97Å; D253-M255 PolarHBondContact O-N 3.46Å; D253-M255 VanDerWaalsContact O-N 3.08Å; D253-K256 HydrophobicContact CB-CD 3.78Å; D253-K256 HydrophobicContact CB-CG 3.78Å; D253-K256 WeakPolarHBondContact O-CB 3.49Å; D253-K256 PolarHBondContact O-N 3.23Å; D253-K256 WeakPolarHBondContact OD2-CE 3.29Å
254K75.9Confident78.6Confident155 Ų15598.4 Ų98.467%0.67449%0.492SS*.G310 helixtrans-58.4-23.2-178.1-61.7-174.9-179-177.80113E252 K256 I257E252-K254 WeakPolarHBondContact OE2-CE 3.42Å; E252-K254 IonicContact OE2-NZ 3.78Å; K254-K256 VanDerWaalsContact C-N 3.31Å; K254-K256 PolarHBondContact O-N 2.94Å; K254-I257 WeakPolarHBondContact O-CG1 3.47Å
255M75.9Confident76.8Confident106 Ų106101.4 Ų101.452%0.52250%0.504SS..G310 helixtrans-80.1-8.4179.4-61.7-53.2-71.700113.6D253 I257 H258 V357D253-M255 PolarHBondContact O-N 3.46Å; D253-M255 VanDerWaalsContact O-N 3.08Å; M255-I257 PolarHBondContact O-N 2.98Å; M255-I257 VanDerWaalsContact O-N 3.13Å; M255-H258 PolarHBondContact O-N 2.85Å; M255-H258 VanDerWaalsContact O-N 3.16Å; M255-V357 HydrophobicContact CE-CG1 4.38Å
256K72.1Confident75Confident80 Ų80103.8 Ų103.835%0.34852%0.523SS..G310 helixtrans-59.7-23.1176.2-79.5-179.3179.7-176.90113.6D253 K254 H258 S259D253-K256 HydrophobicContact CB-CD 3.78Å; D253-K256 HydrophobicContact CB-CG 3.78Å; D253-K256 WeakPolarHBondContact O-CB 3.49Å; D253-K256 PolarHBondContact O-N 3.23Å; D253-K256 WeakPolarHBondContact OD2-CE 3.29Å; K254-K256 VanDerWaalsContact C-N 3.31Å; K254-K256 PolarHBondContact O-N 2.94Å; K256-H258 PolarHBondContact O-N 2.91Å; K256-S259 VanDerWaalsContact O-CB 3.29Å; K256-S259 WeakPolarHBondContact O-CB 3.24Å; K256-S259 PolarHBondContact O-N 3.02Å; K256-S259 PolarHBondContact O-OG 2.85Å
257I74.4Confident73.1Confident121 Ų121103.8 Ų103.862%0.62153%0.534SS*.G310 helixtrans-60.2-24.8177.868178000113K254 M255 S259K254-I257 WeakPolarHBondContact O-CG1 3.47Å; M255-I257 PolarHBondContact O-N 2.98Å; M255-I257 VanDerWaalsContact O-N 3.13Å; I257-S259 VanDerWaalsContact C-N 3.29Å
258H75.8Confident71.4Confident135 Ų135104.2 Ų104.263%0.62554%0.54SS*.G310 helixtrans-86.51178.9-58.6-71.5000113M255 K256M255-H258 PolarHBondContact O-N 2.85Å; M255-H258 VanDerWaalsContact O-N 3.16Å; K256-H258 PolarHBondContact O-N 2.91Å
259S73.9Confident70.1Confident31 Ų31109.7 Ų109.722%0.21756%0.564CS.*SBendtrans-70.1147175.268.10000110.9K256 I257 S261 P262 Q265K256-S259 VanDerWaalsContact O-CB 3.29Å; K256-S259 WeakPolarHBondContact O-CB 3.24Å; K256-S259 PolarHBondContact O-N 3.02Å; K256-S259 PolarHBondContact O-OG 2.85Å; I257-S259 VanDerWaalsContact C-N 3.29Å; S259-S261 PolarHBondContact O-N 3.21Å; S259-P262 WeakPolarHBondContact O-CD 3.4Å; S259-Q265 PolarHBondContact OG-NE2 2.96Å
260P73.8Confident69.2Low134 Ų134106.4 Ų106.487%0.8756%0.561SS**SBendtrans-64.2-5.6-178.3-21.131.7000115.1
261S70.6Confident69.2Low55 Ų55107.8 Ų107.839%0.38557%0.571SS.*  trans-147.666-175.5-66.90000111.2S259 H263 K264S259-S261 PolarHBondContact O-N 3.21Å; S261-H263 VanDerWaalsContact C-N 3.27Å; S261-H263 PolarHBondContact O-N 3.24Å; S261-K264 PolarHBondContact O-N 3.5Å
262P61.6Low70.1Confident65 Ų65104.8 Ų104.842%0.42255%0.548SS..G310 helixtrans-66.2-29.9-173.826.2-31.6000112.3S259S259-P262 WeakPolarHBondContact O-CD 3.4Å
263H65.3Low71.2Confident186 Ų18699.9 Ų99.986%0.86152%0.524SS*.G310 helixtrans-81.2-13.9-177.5-55.9-37.8000115S261S261-H263 VanDerWaalsContact C-N 3.27Å; S261-H263 PolarHBondContact O-N 3.24Å
264K56.9Low72.4Confident179 Ų17998.9 Ų98.978%0.77852%0.517SS*.G310 helixtrans-91.22.2-179-72-174.5177.3177.90113.3S261S261-K264 PolarHBondContact O-N 3.5Å
265Q58.3Low73.5Confident88 Ų8892.4 Ų92.441%0.41149%0.489SS..PPolyproline II helixtrans-94.9116.2-171.9-64-170.314.700111.3S259S259-Q265 PolarHBondContact OG-NE2 2.96Å
266V59Low74.6Confident123 Ų12387.9 Ų87.975%0.74547%0.467SS*.PPolyproline II helixtrans-68.1137.2165.6-176.20000108S268V266-S268 PolarHBondContact O-N 3.49Å
267P59.4Low75.8Confident112 Ų11284.1 Ų84.173%0.72745%0.451SS*.PPolyproline II helixtrans-51.9124.1171-23.531.9000110.2K269P267-K269 PolarHBondContact O-N 3.12Å
268S60.6Low76.9Confident67 Ų6780.7 Ų80.747%0.46943%0.431SS..PPolyproline II helixtrans-61.9128175.4-59.70000108.9V266 C270V266-S268 PolarHBondContact O-N 3.49Å; S268-C270 VanDerWaalsContact CB-O 3.27Å; S268-C270 WeakPolarHBondContact CB-O 3.45Å; S268-C270 PolarHBondContact O-N 2.81Å
269K65.8Low77.9Confident211 Ų21175 Ų7592%0.91741%0.406SS*.SBendtrans-66.8-23177.5-73-175.2177.5-179.20113P267P267-K269 PolarHBondContact O-N 3.12Å
270C72.4Confident79.1Confident76 Ų7673.5 Ų73.551%0.51440%0.396SS..SBendtrans-130.4157.3179.4-70.10000109.3S268 S288S268-C270 VanDerWaalsContact CB-O 3.27Å; S268-C270 WeakPolarHBondContact CB-O 3.45Å; S268-C270 PolarHBondContact O-N 2.81Å; C270-S288 PolarHBondContact O-OG 3.2Å
271N84.8Confident80.2Confident76 Ų7667.1 Ų67.141%0.40635%0.354SS..  trans-113135.8-174.6-80-26.3000110.3K250 S288K250-N271 WeakPolarHBondContact O-CB 3.39Å; K250-N271 PolarHBondContact O-ND2 3.41Å; K250-N271 PolarHBondContact O-OD1 3.43Å; N271-S288 VanDerWaalsContact O-CB 3.26Å; N271-S288 WeakPolarHBondContact O-CB 3.49Å
272D91.8Very high81.5Confident24 Ų2464.5 Ų64.513%0.12834%0.336CS..  trans-54.8150.7173.1-71.6-8.4000109.4K250 L285 F286 D287 S288 K294K250-D272 WeakPolarHBondContact CB-O 3.06Å; K250-D272 PolarHBondContact N-O 3.13Å; D272-L285 HydrophobicContact CB-CD1 3.71Å; D272-L285 HydrophobicContact CB-CG 4.34Å; D272-F286 WeakPolarHBondContact CA-O 3.5Å; D272-F286 WeakPolarHBondContact CB-O 3.42Å; D272-D287 WeakPolarHBondContact OD1-CA 3.26Å; D272-S288 PolarHBondContact OD1-N 3.44Å; D272-K294 IonicContact OD1-NZ 2.88Å; D272-K294 WeakPolarHBondContact OD2-CE 3.42Å; D272-K294 IonicContact OD2-NZ 3.14Å; D272-K294 PolarHBondContact OD2-NZ 2.83Å
273Y95Very high83.3Confident19 Ų1962 Ų628%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-137.6149.1-177.960.9-84.9000112.2C234 V247 F248 Y249 F275 L285 F286 H291C234-Y273 PolarHBondContact SG-OH 3.15Å; V247-Y273 HydrophobicContact CG1-CD2 4.25Å; F248-Y273 CarbonylContact O-C 3.53Å; F248-Y273 VanDerWaalsContact O-CA 3.22Å; F248-Y273 WeakPolarHBondContact O-CA 3.13Å; Y249-Y273 HydrophobicContact CD1-CD1 4.42Å; Y249-Y273 HydrophobicContact CD1-CG 4.18Å; Y249-Y273 HydrophobicContact CE1-CD1 4.19Å; Y249-Y273 AromaticContact CE1-CG 3.95Å; Y249-Y273 HydrophobicContact CE1-CG 3.95Å; Y273-F275 HydrophobicContact CD2-CD1 4.24Å; Y273-F275 AromaticContact CD2-CE1 4Å; Y273-F275 HydrophobicContact CD2-CE1 4Å; Y273-F275 HydrophobicContact CE2-CD1 4.33Å; Y273-F275 AromaticContact CE2-CE1 3.77Å; Y273-F275 HydrophobicContact CE2-CE1 3.77Å; Y273-F275 HydrophobicContact CE2-CZ 4.3Å; Y273-L285 WeakPolarHBondContact O-CD1 3.36Å; Y273-F286 HydrophobicContact CD1-CB 4.37Å; Y273-F286 HydrophobicContact CD2-CB 4.18Å; Y273-F286 HydrophobicContact CD2-CD2 4.08Å; Y273-F286 HydrophobicContact CD2-CG 4.46Å; Y273-F286 HydrophobicContact CE1-CB 3.86Å; Y273-F286 HydrophobicContact CE2-CB 3.66Å; Y273-F286 AromaticContact CE2-CD2 3.67Å; Y273-F286 HydrophobicContact CE2-CD2 3.67Å; Y273-F286 AromaticContact CE2-CG 3.78Å; Y273-F286 HydrophobicContact CE2-CG 3.78Å; Y273-F286 VanDerWaalsContact CZ-CB 3.47Å; Y273-F286 AromaticContact CZ-CG 3.97Å; Y273-F286 PolarHBondContact N-O 2.99Å; Y273-F286 PolarHBondContact O-N 3.21Å; Y273-H291 AromaticContact CE1-CE1 3.99Å; Y273-H291 AromaticContact CE1-ND1 3.48Å; Y273-H291 WeakPolarHBondContact CE1-ND1 3.41Å; Y273-H291 AromaticContact CZ-ND1 3.6Å; Y273-H291 PolarHBondContact OH-ND1 2.94Å
274F97.3Very high84.9Confident34 Ų3453.1 Ų53.115%0.14928%0.278CS..EExtended strand (participates in β ladder)trans-101.4139.8179.4-72.1-90000110.8V247 F248 D283 I284 L285 V297V247-F274 VanDerWaalsContact CA-O 3.27Å; V247-F274 WeakPolarHBondContact CA-O 3.43Å; F248-F274 HydrophobicContact CB-CB 4.38Å; F248-F274 AromaticContact CD1-CD2 3.89Å; F248-F274 HydrophobicContact CD1-CD2 3.89Å; F248-F274 PolarHBondContact N-O 3.44Å; F248-F274 PolarHBondContact O-N 3.22Å; F274-D283 HydrophobicContact CD1-CB 3.98Å; F274-D283 HydrophobicContact CE1-CB 4.47Å; F274-I284 CarbonylContact C-O 3.45Å; F274-I284 VanDerWaalsContact CA-O 3.26Å; F274-I284 WeakPolarHBondContact CA-O 3.21Å; F274-L285 HydrophobicContact CD1-CB 3.91Å; F274-L285 HydrophobicContact CD1-CD1 4Å; F274-L285 HydrophobicContact CD2-CD1 3.63Å; F274-L285 HydrophobicContact CE1-CB 3.63Å; F274-L285 HydrophobicContact CE1-CD1 3.84Å; F274-L285 HydrophobicContact CE1-CD2 4.36Å; F274-L285 HydrophobicContact CE1-CG 4.14Å; F274-L285 HydrophobicContact CE2-CD1 3.45Å; F274-L285 VanDerWaalsContact CE2-CD1 3.45Å; F274-L285 HydrophobicContact CE2-CG 4.45Å; F274-L285 HydrophobicContact CG-CD1 3.93Å; F274-L285 HydrophobicContact CZ-CB 4.11Å; F274-L285 HydrophobicContact CZ-CD1 3.57Å; F274-L285 HydrophobicContact CZ-CD2 4.02Å; F274-L285 HydrophobicContact CZ-CG 4.1Å; F274-V297 HydrophobicContact CE1-CG2 4.49Å
275F98.4Very high86.8Confident18 Ų1844.9 Ų44.98%0.07924%0.242CC..EExtended strand (participates in β ladder)trans-94.8118.5152.5-74.12.2000108.1C234 V237 L238 P244 V247 Y273 Y277 D283 I284 F286C234-F275 HydrophobicContact CB-CE2 4.2Å; C234-F275 HydrophobicContact CB-CZ 4.16Å; V237-F275 HydrophobicContact CG1-CD2 4.29Å; L238-F275 HydrophobicContact CD1-CE2 4.38Å; L238-F275 HydrophobicContact CD2-CE2 3.92Å; L238-F275 HydrophobicContact CG-CE2 3.94Å; P244-F275 HydrophobicContact CB-CB 3.79Å; P244-F275 HydrophobicContact CB-CG 4.09Å; P244-F275 HydrophobicContact CG-CB 4.06Å; P244-F275 HydrophobicContact CG-CD1 3.97Å; P244-F275 HydrophobicContact CG-CD2 4.08Å; P244-F275 HydrophobicContact CG-CE1 4.43Å; P244-F275 HydrophobicContact CG-CG 3.77Å; V247-F275 HydrophobicContact CG1-CD1 4.21Å; V247-F275 HydrophobicContact CG1-CE1 4.18Å; V247-F275 HydrophobicContact CG2-CD1 3.83Å; V247-F275 HydrophobicContact CG2-CE1 3.83Å; Y273-F275 HydrophobicContact CD2-CD1 4.24Å; Y273-F275 AromaticContact CD2-CE1 4Å; Y273-F275 HydrophobicContact CD2-CE1 4Å; Y273-F275 HydrophobicContact CE2-CD1 4.33Å; Y273-F275 AromaticContact CE2-CE1 3.77Å; Y273-F275 HydrophobicContact CE2-CE1 3.77Å; Y273-F275 HydrophobicContact CE2-CZ 4.3Å; F275-Y277 HydrophobicContact CB-CD2 4.37Å; F275-Y277 HydrophobicContact CB-CE2 3.72Å; F275-Y277 HydrophobicContact CD2-CE2 4.43Å; F275-D283 WeakPolarHBondContact O-CA 3.23Å; F275-I284 HydrophobicContact CB-CB 4.5Å; F275-I284 PolarHBondContact N-O 2.78Å; F275-I284 PolarHBondContact O-N 3.32Å; F275-F286 HydrophobicContact CB-CE2 3.92Å; F275-F286 HydrophobicContact CD1-CD2 4.37Å; F275-F286 HydrophobicContact CD1-CE2 4.02Å; F275-F286 HydrophobicContact CD2-CD2 4.48Å; F275-F286 AromaticContact CD2-CE2 3.44Å; F275-F286 HydrophobicContact CD2-CE2 3.44Å; F275-F286 VanDerWaalsContact CD2-CE2 3.44Å; F275-F286 AromaticContact CD2-CZ 3.76Å; F275-F286 HydrophobicContact CD2-CZ 3.76Å; F275-F286 HydrophobicContact CE1-CE2 4.42Å; F275-F286 AromaticContact CE2-CE2 3.88Å; F275-F286 HydrophobicContact CE2-CE2 3.88Å; F275-F286 AromaticContact CE2-CZ 3.97Å; F275-F286 HydrophobicContact CE2-CZ 3.97Å; F275-F286 HydrophobicContact CG-CD2 4.28Å; F275-F286 AromaticContact CG-CE2 3.51Å; F275-F286 HydrophobicContact CG-CE2 3.51Å; F275-F286 HydrophobicContact CG-CZ 4.3Å; F275-F286 HydrophobicContact CZ-CE2 4.36Å
276N98.4Very high88.5Confident11 Ų1140.7 Ų40.76%0.05922%0.223CC..EExtended strand (participates in β ladder)trans-99.7117.2177.9-54.3110.9000109.5H245 K246 F278 D283H245-N276 PolarHBondContact N-O 3.39Å; K246-N276 HydrophobicContact CB-CB 4.18Å; K246-N276 PolarHBondContact N-O 2.78Å; K246-N276 PolarHBondContact O-N 2.93Å; K246-N276 PolarHBondContact O-OD1 2.99Å; N276-F278 HydrophobicContact CB-CD1 4.15Å; N276-F278 HydrophobicContact CB-CE1 3.56Å; N276-F278 HydrophobicContact CB-CZ 4.04Å; N276-D283 WeakPolarHBondContact CA-OD1 3.37Å; N276-D283 WeakPolarHBondContact CB-OD1 3.18Å; N276-D283 PolarHBondContact ND2-OD1 3.36Å
277Y98.3Very high90.1Very high2 Ų236.4 Ų36.41%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-106.485.4175.4-67.2-90.7000109.5V237 L241 G242 P244 F275 T279 L280 G281 V282 I284V237-Y277 HydrophobicContact CG1-CE2 4.29Å; L241-Y277 HydrophobicContact CB-CD1 4.47Å; L241-Y277 HydrophobicContact CB-CE1 3.81Å; L241-Y277 HydrophobicContact CD1-CD2 4.41Å; L241-Y277 HydrophobicContact CD1-CE1 4.47Å; L241-Y277 HydrophobicContact CD1-CE2 4.16Å; G242-Y277 PolarHBondContact O-OH 3.11Å; P244-Y277 HydrophobicContact CB-CD1 4.44Å; P244-Y277 HydrophobicContact CB-CD2 4.45Å; P244-Y277 HydrophobicContact CB-CE1 4.08Å; P244-Y277 HydrophobicContact CB-CE2 4.09Å; F275-Y277 HydrophobicContact CB-CD2 4.37Å; F275-Y277 HydrophobicContact CB-CE2 3.72Å; F275-Y277 HydrophobicContact CD2-CE2 4.43Å; Y277-T279 VanDerWaalsContact C-N 3.32Å; Y277-T279 PolarHBondContact O-N 3.41Å; Y277-L280 HydrophobicContact CD1-CD1 3.93Å; Y277-L280 HydrophobicContact CG-CD1 3.95Å; Y277-L280 HydrophobicContact CG-CG 4.49Å; Y277-L280 PolarHBondContact O-N 2.9Å; Y277-L280 VanDerWaalsContact O-N 3.08Å; Y277-G281 PolarHBondContact O-N 2.65Å; Y277-V282 WeakPolarHBondContact CA-O 3.06Å; Y277-V282 WeakPolarHBondContact CB-O 3.33Å; Y277-V282 PolarHBondContact N-O 3.43Å; Y277-V282 PolarHBondContact O-N 2.77Å; Y277-I284 HydrophobicContact CD2-CD1 4.15Å; Y277-I284 HydrophobicContact CD2-CG1 4.42Å; Y277-I284 HydrophobicContact CE2-CD1 3.79Å; Y277-I284 HydrophobicContact CE2-CG1 4.38Å
278F97.8Very high91.6Very high49 Ų4931.7 Ų31.722%0.21517%0.165CC..G310 helixtrans-59.1-41-174.1-61.6-33000112.4H245 K246 N276 L280 G281 I310 Y311 H312H245-F278 HydrophobicContact CB-CB 4.34Å; H245-F278 HydrophobicContact CB-CD2 3.31Å; H245-F278 HydrophobicContact CB-CE2 3.69Å; H245-F278 HydrophobicContact CB-CG 3.93Å; H245-F278 AromaticContact CG-CD2 3.85Å; H245-F278 PolarHBondContact ND1-N 2.81Å; K246-F278 HydrophobicContact CB-CE2 4.09Å; K246-F278 HydrophobicContact CB-CZ 3.8Å; K246-F278 HydrophobicContact CD-CZ 4.16Å; N276-F278 HydrophobicContact CB-CD1 4.15Å; N276-F278 HydrophobicContact CB-CE1 3.56Å; N276-F278 HydrophobicContact CB-CZ 4.04Å; F278-L280 VanDerWaalsContact C-N 3.27Å; F278-L280 PolarHBondContact O-N 3.43Å; F278-G281 PolarHBondContact O-N 2.75Å; F278-I310 WeakPolarHBondContact CB-O 3.48Å; F278-I310 HydrophobicContact CD1-CG2 3.96Å; F278-I310 HydrophobicContact CE1-CG2 3.8Å; F278-I310 HydrophobicContact CZ-CG2 4.32Å; F278-Y311 AromaticContact CD1-CD1 3.78Å; F278-Y311 HydrophobicContact CD1-CD1 3.78Å; F278-Y311 AromaticContact CD1-CE1 3.47Å; F278-Y311 HydrophobicContact CD1-CE1 3.47Å; F278-Y311 VanDerWaalsContact CD1-CE1 3.47Å; F278-Y311 HydrophobicContact CD1-CG 4.49Å; F278-Y311 AromaticContact CD1-CZ 3.96Å; F278-Y311 AromaticContact CE1-CE1 3.85Å; F278-Y311 HydrophobicContact CE1-CE1 3.85Å; F278-Y311 AromaticContact CE1-CZ 3.93Å; F278-Y311 CarbonylContact O-C 3.54Å; F278-H312 PolarHBondContact O-N 3.16Å
279T96.8Very high92.9Very high14 Ų1434 Ų349%0.08618%0.177CC..G310 helixtrans-75.2-14.3179.757.60000114.3N184 I185 F186 H245 Y277N184-T279 HydrophobicContact CB-CG2 4.13Å; I185-T279 WeakPolarHBondContact O-CB 3.48Å; I185-T279 PolarHBondContact O-OG1 3.06Å; F186-T279 HydrophobicContact CD1-CG2 4.2Å; F186-T279 HydrophobicContact CE1-CG2 3.71Å; F186-T279 HydrophobicContact CZ-CG2 3.98Å; H245-T279 PolarHBondContact CE1-OG1 2.93Å; Y277-T279 VanDerWaalsContact C-N 3.32Å; Y277-T279 PolarHBondContact O-N 3.41Å
280L98.1Very high94.2Very high1 Ų127.8 Ų27.81%0.00516%0.157CC..G310 helixtrans-96.1-16.4174.1-53-174.1000112I185 A187 L204 L206 L241 Y277 F278 V282I185-L280 HydrophobicContact CD1-CD1 4.17Å; I185-L280 HydrophobicContact CD1-CD2 4.1Å; I185-L280 HydrophobicContact CG1-CD2 4.09Å; A187-L280 HydrophobicContact CB-CB 4.3Å; A187-L280 HydrophobicContact CB-CD2 4.06Å; L204-L280 HydrophobicContact CD2-CD1 4.17Å; L206-L280 HydrophobicContact CD2-CD1 4.32Å; L206-L280 HydrophobicContact CD2-CD2 3.67Å; L241-L280 HydrophobicContact CD1-CD1 4Å; L241-L280 HydrophobicContact CD2-CD1 4.29Å; Y277-L280 HydrophobicContact CD1-CD1 3.93Å; Y277-L280 HydrophobicContact CG-CD1 3.95Å; Y277-L280 HydrophobicContact CG-CG 4.49Å; Y277-L280 PolarHBondContact O-N 2.9Å; Y277-L280 VanDerWaalsContact O-N 3.08Å; F278-L280 VanDerWaalsContact C-N 3.27Å; F278-L280 PolarHBondContact O-N 3.43Å; L280-V282 VanDerWaalsContact C-N 3.28Å; L280-V282 HydrophobicContact CB-CB 4.35Å; L280-V282 HydrophobicContact CB-CG2 4.23Å
281G98Very high95.2Very high0 Ų028.7 Ų28.70%015%0.153CC..THydrogen-bonded Turntrans67.828.1-171.400000113.1Y277 F278 H299 H312 C314Y277-G281 PolarHBondContact O-N 2.65Å; F278-G281 PolarHBondContact O-N 2.75Å; G281-H299 PolarHBondContact O-N 3.08Å; G281-H312 WeakPolarHBondContact CA-O 3.36Å; G281-C314 WeakPolarHBondContact O-CB 3.29Å
282V98.4Very high95.7Very high0 Ų028.1 Ų28.10%015%0.149CC..EExtended strand (participates in β ladder)trans-127.4133-173.9-179.10000111.3L202 Y277 L280 I284 V297 L298L202-V282 HydrophobicContact CD1-CG1 3.96Å; Y277-V282 WeakPolarHBondContact CA-O 3.06Å; Y277-V282 WeakPolarHBondContact CB-O 3.33Å; Y277-V282 PolarHBondContact N-O 3.43Å; Y277-V282 PolarHBondContact O-N 2.77Å; L280-V282 VanDerWaalsContact C-N 3.28Å; L280-V282 HydrophobicContact CB-CB 4.35Å; L280-V282 HydrophobicContact CB-CG2 4.23Å; V282-I284 HydrophobicContact CG1-CG1 4.01Å; V282-V297 CarbonylContact C-O 3.53Å; V282-V297 WeakPolarHBondContact CA-O 3.25Å; V282-L298 HydrophobicContact CG1-CD2 4.29Å; V282-L298 HydrophobicContact CG2-CD2 3.85Å
283D98.4Very high96Very high12 Ų1227.2 Ų27.26%0.06415%0.145CC..EExtended strand (participates in β ladder)trans-108.7142.3162.7-58.1-36.4000111.1F274 F275 N276 F296 V297 H299 Y311F274-D283 HydrophobicContact CD1-CB 3.98Å; F274-D283 HydrophobicContact CE1-CB 4.47Å; F275-D283 WeakPolarHBondContact O-CA 3.23Å; N276-D283 WeakPolarHBondContact CA-OD1 3.37Å; N276-D283 WeakPolarHBondContact CB-OD1 3.18Å; N276-D283 PolarHBondContact ND2-OD1 3.36Å; D283-F296 CarbonylContact O-C 3.49Å; D283-F296 WeakPolarHBondContact O-CA 3.38Å; D283-V297 HydrophobicContact CB-CB 4.04Å; D283-V297 HydrophobicContact CB-CG2 4.32Å; D283-V297 PolarHBondContact N-O 3.48Å; D283-V297 PolarHBondContact O-N 3.01Å; D283-H299 IonicContact OD1-NE2 3.63Å; D283-H299 IonicContact OD2-CD2 3.68Å; D283-H299 IonicContact OD2-CE1 3.9Å; D283-H299 IonicContact OD2-NE2 2.86Å; D283-H299 PolarHBondContact OD2-NE2 3.47Å; D283-Y311 VanDerWaalsContact OD1-CE1 3.24Å; D283-Y311 WeakPolarHBondContact OD1-CE1 3.47Å; D283-Y311 PolarHBondContact OD1-OH 3.31Å; D283-Y311 PolarHBondContact OD2-OH 2.95Å
284I98.3Very high96Very high0 Ų029.9 Ų29.90%016%0.157CC..EExtended strand (participates in β ladder)trans-123.9117.6179.4-50.4179.6000108.5I228 V237 L241 F274 F275 Y277 V282 F286 V293 F296I228-I284 HydrophobicContact CD1-CD1 3.49Å; I228-I284 VanDerWaalsContact CD1-CD1 3.49Å; I228-I284 HydrophobicContact CD1-CG1 4.43Å; V237-I284 HydrophobicContact CG1-CD1 3.56Å; L241-I284 HydrophobicContact CD1-CD1 3.92Å; F274-I284 CarbonylContact C-O 3.45Å; F274-I284 VanDerWaalsContact CA-O 3.26Å; F274-I284 WeakPolarHBondContact CA-O 3.21Å; F275-I284 HydrophobicContact CB-CB 4.5Å; F275-I284 PolarHBondContact N-O 2.78Å; F275-I284 PolarHBondContact O-N 3.32Å; Y277-I284 HydrophobicContact CD2-CD1 4.15Å; Y277-I284 HydrophobicContact CD2-CG1 4.42Å; Y277-I284 HydrophobicContact CE2-CD1 3.79Å; Y277-I284 HydrophobicContact CE2-CG1 4.38Å; V282-I284 HydrophobicContact CG1-CG1 4.01Å; I284-F286 HydrophobicContact CB-CE2 4.11Å; I284-F286 HydrophobicContact CB-CZ 4.49Å; I284-F286 HydrophobicContact CG2-CD2 4.47Å; I284-F286 HydrophobicContact CG2-CE2 3.77Å; I284-F286 HydrophobicContact CG2-CZ 3.81Å; I284-V293 HydrophobicContact CG2-CB 4.28Å; I284-V293 HydrophobicContact CG2-CG1 3.73Å; I284-V293 HydrophobicContact CG2-CG2 3.58Å; I284-F296 HydrophobicContact CB-CD1 4.45Å; I284-F296 HydrophobicContact CD1-CE1 4.33Å; I284-F296 HydrophobicContact CG1-CD1 3.99Å; I284-F296 HydrophobicContact CG1-CE1 4.13Å; I284-F296 HydrophobicContact CG2-CD1 4.16Å; I284-F296 HydrophobicContact CG2-CE1 3.89Å
285L96.9Very high95.9Very high5 Ų531.4 Ų31.43%0.02616%0.163CC..EExtended strand (participates in β ladder)trans-92.7129.8176.9-174.658.8000110.5D272 Y273 F274 V293 K294 K295D272-L285 HydrophobicContact CB-CD1 3.71Å; D272-L285 HydrophobicContact CB-CG 4.34Å; Y273-L285 WeakPolarHBondContact O-CD1 3.36Å; F274-L285 HydrophobicContact CD1-CB 3.91Å; F274-L285 HydrophobicContact CD1-CD1 4Å; F274-L285 HydrophobicContact CD2-CD1 3.63Å; F274-L285 HydrophobicContact CE1-CB 3.63Å; F274-L285 HydrophobicContact CE1-CD1 3.84Å; F274-L285 HydrophobicContact CE1-CD2 4.36Å; F274-L285 HydrophobicContact CE1-CG 4.14Å; F274-L285 HydrophobicContact CE2-CD1 3.45Å; F274-L285 VanDerWaalsContact CE2-CD1 3.45Å; F274-L285 HydrophobicContact CE2-CG 4.45Å; F274-L285 HydrophobicContact CG-CD1 3.93Å; F274-L285 HydrophobicContact CZ-CB 4.11Å; F274-L285 HydrophobicContact CZ-CD1 3.57Å; F274-L285 HydrophobicContact CZ-CD2 4.02Å; F274-L285 HydrophobicContact CZ-CG 4.1Å; L285-V293 WeakPolarHBondContact O-CA 3.33Å; L285-K294 HydrophobicContact CB-CG 4.25Å; L285-K294 HydrophobicContact CD2-CD 3.99Å; L285-K294 HydrophobicContact CD2-CG 3.94Å; L285-K294 HydrophobicContact CG-CD 4.03Å; L285-K294 HydrophobicContact CG-CG 3.91Å; L285-K294 PolarHBondContact O-N 3.4Å; L285-K295 HydrophobicContact CB-CB 3.84Å; L285-K295 HydrophobicContact CD2-CB 4.07Å; L285-K295 HydrophobicContact CD2-CD 4.08Å; L285-K295 PolarHBondContact N-O 2.77Å
286F95.8Very high95.9Very high0 Ų030.5 Ų30.50%016%0.16CC..EExtended strand (participates in β ladder)trans-104.6140.3172.3-62.3-91.7000110.5C234 V237 D272 Y273 F275 I284 L292 V293C234-F286 HydrophobicContact CB-CE1 4.28Å; C234-F286 WeakPolarHBondContact SG-CD1 3.24Å; C234-F286 WeakPolarHBondContact SG-CE1 3.14Å; V237-F286 HydrophobicContact CB-CZ 3.99Å; V237-F286 HydrophobicContact CG1-CZ 4.13Å; V237-F286 HydrophobicContact CG2-CE1 4.05Å; V237-F286 HydrophobicContact CG2-CZ 3.83Å; D272-F286 WeakPolarHBondContact CA-O 3.5Å; D272-F286 WeakPolarHBondContact CB-O 3.42Å; Y273-F286 HydrophobicContact CD1-CB 4.37Å; Y273-F286 HydrophobicContact CD2-CB 4.18Å; Y273-F286 HydrophobicContact CD2-CD2 4.08Å; Y273-F286 HydrophobicContact CD2-CG 4.46Å; Y273-F286 HydrophobicContact CE1-CB 3.86Å; Y273-F286 HydrophobicContact CE2-CB 3.66Å; Y273-F286 AromaticContact CE2-CD2 3.67Å; Y273-F286 HydrophobicContact CE2-CD2 3.67Å; Y273-F286 AromaticContact CE2-CG 3.78Å; Y273-F286 HydrophobicContact CE2-CG 3.78Å; Y273-F286 VanDerWaalsContact CZ-CB 3.47Å; Y273-F286 AromaticContact CZ-CG 3.97Å; Y273-F286 PolarHBondContact N-O 2.99Å; Y273-F286 PolarHBondContact O-N 3.21Å; F275-F286 HydrophobicContact CB-CE2 3.92Å; F275-F286 HydrophobicContact CD1-CD2 4.37Å; F275-F286 HydrophobicContact CD1-CE2 4.02Å; F275-F286 HydrophobicContact CD2-CD2 4.48Å; F275-F286 AromaticContact CD2-CE2 3.44Å; F275-F286 HydrophobicContact CD2-CE2 3.44Å; F275-F286 VanDerWaalsContact CD2-CE2 3.44Å; F275-F286 AromaticContact CD2-CZ 3.76Å; F275-F286 HydrophobicContact CD2-CZ 3.76Å; F275-F286 HydrophobicContact CE1-CE2 4.42Å; F275-F286 AromaticContact CE2-CE2 3.88Å; F275-F286 HydrophobicContact CE2-CE2 3.88Å; F275-F286 AromaticContact CE2-CZ 3.97Å; F275-F286 HydrophobicContact CE2-CZ 3.97Å; F275-F286 HydrophobicContact CG-CD2 4.28Å; F275-F286 AromaticContact CG-CE2 3.51Å; F275-F286 HydrophobicContact CG-CE2 3.51Å; F275-F286 HydrophobicContact CG-CZ 4.3Å; F275-F286 HydrophobicContact CZ-CE2 4.36Å; I284-F286 HydrophobicContact CB-CE2 4.11Å; I284-F286 HydrophobicContact CB-CZ 4.49Å; I284-F286 HydrophobicContact CG2-CD2 4.47Å; I284-F286 HydrophobicContact CG2-CE2 3.77Å; I284-F286 HydrophobicContact CG2-CZ 3.81Å; F286-L292 WeakPolarHBondContact CA-O 3.07Å; F286-V293 HydrophobicContact CD1-CG2 3.93Å; F286-V293 HydrophobicContact CE1-CG2 3.38Å; F286-V293 HydrophobicContact CZ-CG2 3.86Å
287D92.2Very high95.9Very high34 Ų3430.7 Ų30.718%0.18216%0.161CC..  trans-67.9132.1169.3-173.3-99.7000110.5D272 T289 T290 H291 L292 K294D272-D287 WeakPolarHBondContact OD1-CA 3.26Å; D287-T289 PolarHBondContact O-N 2.98Å; D287-T289 WeakPolarHBondContact OD1-CA 3.49Å; D287-T289 WeakPolarHBondContact OD1-CB 3.46Å; D287-T289 PolarHBondContact OD1-N 3.33Å; D287-T290 VanDerWaalsContact CB-OG1 3.31Å; D287-T290 WeakPolarHBondContact CB-OG1 3.32Å; D287-T290 PolarHBondContact OD1-N 2.88Å; D287-T290 PolarHBondContact OD1-OG1 3.04Å; D287-T290 VanDerWaalsContact OD1-OG1 3.12Å; D287-H291 WeakPolarHBondContact O-CA 3.18Å; D287-H291 PolarHBondContact O-N 3.25Å; D287-L292 PolarHBondContact N-O 3.41Å; D287-K294 HydrophobicContact CB-CD 3.92Å; D287-K294 IonicContact OD2-NZ 3.55Å; D287-K294 PolarHBondContact OD2-NZ 2.96Å
288S89.8Confident95.9Very high12 Ų1230.6 Ų30.68%0.08416%0.161CC..THydrogen-bonded Turntrans-70.4-17.8-176.371.60000115C270 N271 D272C270-S288 PolarHBondContact O-OG 3.2Å; N271-S288 VanDerWaalsContact O-CB 3.26Å; N271-S288 WeakPolarHBondContact O-CB 3.49Å; D272-S288 PolarHBondContact OD1-N 3.44Å
289T89.1Confident95.9Very high116 Ų11628.7 Ų28.771%0.71215%0.152SC*.THydrogen-bonded Turntrans-94.5-44.5-176.4-48.70000110.2D287D287-T289 PolarHBondContact O-N 2.98Å; D287-T289 WeakPolarHBondContact OD1-CA 3.49Å; D287-T289 WeakPolarHBondContact OD1-CB 3.46Å; D287-T289 PolarHBondContact OD1-N 3.33Å
290T92.2Very high96Very high81 Ų8128 Ų2850%0.49715%0.148SC..THydrogen-bonded Turntrans-97.2-15.5-176.259.50000113.3D287 L292D287-T290 VanDerWaalsContact CB-OG1 3.31Å; D287-T290 WeakPolarHBondContact CB-OG1 3.32Å; D287-T290 PolarHBondContact OD1-N 2.88Å; D287-T290 PolarHBondContact OD1-OG1 3.04Å; D287-T290 VanDerWaalsContact OD1-OG1 3.12Å; T290-L292 WeakPolarHBondContact O-CG 3.32Å; T290-L292 PolarHBondContact O-N 3.28Å
291H93.6Very high95.9Very high95 Ų9528.5 Ų28.544%0.4415%0.151SC..  trans56.526.9-173.2-62.2-78.8000113.7Y273 D287Y273-H291 AromaticContact CE1-CE1 3.99Å; Y273-H291 AromaticContact CE1-ND1 3.48Å; Y273-H291 WeakPolarHBondContact CE1-ND1 3.41Å; Y273-H291 AromaticContact CZ-ND1 3.6Å; Y273-H291 PolarHBondContact OH-ND1 2.94Å; D287-H291 WeakPolarHBondContact O-CA 3.18Å; D287-H291 PolarHBondContact O-N 3.25Å
292L95.9Very high95.8Very high63 Ų6328.5 Ų28.533%0.3315%0.151SC..BIsolated β-bridgetrans-105.2148.5179.6-56.7-174.4000111.5G231 D232 F286 D287 T290 K294G231-L292 WeakPolarHBondContact O-CD2 3.34Å; D232-L292 CarbonylContact O-C 3.58Å; D232-L292 WeakPolarHBondContact O-CA 3.47Å; F286-L292 WeakPolarHBondContact CA-O 3.07Å; D287-L292 PolarHBondContact N-O 3.41Å; T290-L292 WeakPolarHBondContact O-CG 3.32Å; T290-L292 PolarHBondContact O-N 3.28Å; L292-K294 PolarHBondContact O-N 3.07Å
293V97.2Very high95.6Very high5 Ų528.9 Ų28.93%0.0315%0.153CC..EExtended strand (participates in β ladder)trans-61.5126.2176.7177.20000110.8F230 G231 D232 V237 I284 L285 F286 F296F230-V293 HydrophobicContact CD1-CG1 4.28Å; G231-V293 PolarHBondContact N-O 3.03Å; D232-V293 HydrophobicContact CB-CG2 4.24Å; D232-V293 WeakPolarHBondContact O-CG2 3.17Å; D232-V293 PolarHBondContact O-N 3.04Å; V237-V293 HydrophobicContact CG2-CG2 3.7Å; I284-V293 HydrophobicContact CG2-CB 4.28Å; I284-V293 HydrophobicContact CG2-CG1 3.73Å; I284-V293 HydrophobicContact CG2-CG2 3.58Å; L285-V293 WeakPolarHBondContact O-CA 3.33Å; F286-V293 HydrophobicContact CD1-CG2 3.93Å; F286-V293 HydrophobicContact CE1-CG2 3.38Å; F286-V293 HydrophobicContact CZ-CG2 3.86Å; V293-F296 HydrophobicContact CG1-CD1 4.37Å; V293-F296 HydrophobicContact CG1-CE1 3.64Å; V293-F296 HydrophobicContact CG1-CE2 4.02Å; V293-F296 HydrophobicContact CG1-CZ 3.46Å; V293-F296 VanDerWaalsContact CG1-CZ 3.46Å
294K94.5Very high95.3Very high76 Ų7628.8 Ų28.833%0.3316%0.155SC..EExtended strand (participates in β ladder)trans-121-17.6178.173.4-166.2-70.2174.60114.4F230 D272 L285 D287 L292F230-K294 WeakPolarHBondContact CE1-O 3.45Å; D272-K294 IonicContact OD1-NZ 2.88Å; D272-K294 WeakPolarHBondContact OD2-CE 3.42Å; D272-K294 IonicContact OD2-NZ 3.14Å; D272-K294 PolarHBondContact OD2-NZ 2.83Å; L285-K294 HydrophobicContact CB-CG 4.25Å; L285-K294 HydrophobicContact CD2-CD 3.99Å; L285-K294 HydrophobicContact CD2-CG 3.94Å; L285-K294 HydrophobicContact CG-CD 4.03Å; L285-K294 HydrophobicContact CG-CG 3.91Å; L285-K294 PolarHBondContact O-N 3.4Å; D287-K294 HydrophobicContact CB-CD 3.92Å; D287-K294 IonicContact OD2-NZ 3.55Å; D287-K294 PolarHBondContact OD2-NZ 2.96Å; L292-K294 PolarHBondContact O-N 3.07Å
295K95.9Very high95.1Very high65 Ų6529.2 Ų29.228%0.28316%0.157SC..EExtended strand (participates in β ladder)trans-154.2142.2-177.1175.2-174.8-68-170.90111.4L285 V297 T396 L397L285-K295 HydrophobicContact CB-CB 3.84Å; L285-K295 HydrophobicContact CD2-CB 4.07Å; L285-K295 HydrophobicContact CD2-CD 4.08Å; L285-K295 PolarHBondContact N-O 2.77Å; K295-V297 HydrophobicContact CD-CG2 4.48Å; K295-V297 HydrophobicContact CG-CG2 4.47Å; K295-T396 HydrophobicContact CD-CG2 3.45Å; K295-T396 VanDerWaalsContact CD-CG2 3.45Å; K295-T396 HydrophobicContact CG-CG2 3.58Å; K295-L397 WeakPolarHBondContact CA-O 2.95Å; K295-L397 WeakPolarHBondContact CG-O 3.41Å
296F98.3Very high94.8Very high0 Ų032.3 Ų32.30%017%0.169CC..EExtended strand (participates in β ladder)trans-113.6146.2167.3-59.8-70.8000110L202 I228 F230 D283 I284 V293 T396 L397L202-F296 HydrophobicContact CD1-CB 4.09Å; L202-F296 HydrophobicContact CD1-CD1 3.63Å; L202-F296 HydrophobicContact CD1-CD2 4.4Å; L202-F296 HydrophobicContact CD1-CE1 4.12Å; L202-F296 HydrophobicContact CD1-CG 3.78Å; L202-F296 HydrophobicContact CG-CD1 4.17Å; L202-F296 HydrophobicContact CG-CD2 4.15Å; L202-F296 HydrophobicContact CG-CE1 4.4Å; L202-F296 HydrophobicContact CG-CE2 4.38Å; L202-F296 HydrophobicContact CG-CG 4.03Å; L202-F296 HydrophobicContact CG-CZ 4.48Å; I228-F296 HydrophobicContact CD1-CD1 4.36Å; I228-F296 HydrophobicContact CD1-CE1 3.61Å; I228-F296 HydrophobicContact CD1-CZ 4.26Å; I228-F296 HydrophobicContact CG1-CE1 3.99Å; I228-F296 HydrophobicContact CG1-CZ 4.14Å; F230-F296 HydrophobicContact CD1-CD2 4.3Å; F230-F296 AromaticContact CD1-CE2 3.95Å; F230-F296 HydrophobicContact CD1-CE2 3.95Å; F230-F296 HydrophobicContact CD2-CE2 4.2Å; F230-F296 AromaticContact CE1-CD2 3.61Å; F230-F296 HydrophobicContact CE1-CD2 3.61Å; F230-F296 AromaticContact CE1-CE2 3.73Å; F230-F296 HydrophobicContact CE1-CE2 3.73Å; F230-F296 HydrophobicContact CE2-CD2 4.01Å; F230-F296 AromaticContact CE2-CE2 3.97Å; F230-F296 HydrophobicContact CE2-CE2 3.97Å; F230-F296 HydrophobicContact CG-CE2 4.18Å; F230-F296 AromaticContact CZ-CD2 3.45Å; F230-F296 HydrophobicContact CZ-CD2 3.45Å; F230-F296 VanDerWaalsContact CZ-CD2 3.45Å; F230-F296 AromaticContact CZ-CE2 3.75Å; F230-F296 HydrophobicContact CZ-CE2 3.75Å; D283-F296 CarbonylContact O-C 3.49Å; D283-F296 WeakPolarHBondContact O-CA 3.38Å; I284-F296 HydrophobicContact CB-CD1 4.45Å; I284-F296 HydrophobicContact CD1-CE1 4.33Å; I284-F296 HydrophobicContact CG1-CD1 3.99Å; I284-F296 HydrophobicContact CG1-CE1 4.13Å; I284-F296 HydrophobicContact CG2-CD1 4.16Å; I284-F296 HydrophobicContact CG2-CE1 3.89Å; V293-F296 HydrophobicContact CG1-CD1 4.37Å; V293-F296 HydrophobicContact CG1-CE1 3.64Å; V293-F296 HydrophobicContact CG1-CE2 4.02Å; V293-F296 HydrophobicContact CG1-CZ 3.46Å; V293-F296 VanDerWaalsContact CG1-CZ 3.46Å; F296-T396 CarbonylContact O-C 3.59Å; F296-T396 WeakPolarHBondContact O-CA 3.49Å; F296-L397 HydrophobicContact CB-CB 4.24Å; F296-L397 HydrophobicContact CB-CD1 4.25Å; F296-L397 HydrophobicContact CB-CG 4.41Å; F296-L397 HydrophobicContact CD2-CD1 4.5Å; F296-L397 PolarHBondContact N-O 3.38Å; F296-L397 VanDerWaalsContact N-O 3.08Å; F296-L397 PolarHBondContact O-N 2.72Å
297V98.4Very high94.7Very high15 Ų1533.5 Ų33.59%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-126.5124169.5-169.80000108.4F274 V282 D283 K295 V395 T396F274-V297 HydrophobicContact CE1-CG2 4.49Å; V282-V297 CarbonylContact C-O 3.53Å; V282-V297 WeakPolarHBondContact CA-O 3.25Å; D283-V297 HydrophobicContact CB-CB 4.04Å; D283-V297 HydrophobicContact CB-CG2 4.32Å; D283-V297 PolarHBondContact N-O 3.48Å; D283-V297 PolarHBondContact O-N 3.01Å; K295-V297 HydrophobicContact CD-CG2 4.48Å; K295-V297 HydrophobicContact CG-CG2 4.47Å; V297-V395 WeakPolarHBondContact CA-O 3.44Å; V297-T396 HydrophobicContact CG2-CG2 4.38Å
298L98.6Very high94.8Very high0 Ų033.6 Ų33.60%017%0.174CC..EExtended strand (participates in β ladder)trans-106.1122179-49.5180000108.7V190 V192 L202 V282 F316 S394 V395 L397V190-L298 HydrophobicContact CG1-CD2 4.43Å; V192-L298 HydrophobicContact CG2-CD1 3.7Å; L202-L298 HydrophobicContact CD1-CD2 3.84Å; L202-L298 HydrophobicContact CD2-CD1 4.42Å; L202-L298 HydrophobicContact CD2-CD2 4.13Å; V282-L298 HydrophobicContact CG1-CD2 4.29Å; V282-L298 HydrophobicContact CG2-CD2 3.85Å; L298-F316 HydrophobicContact CB-CD1 3.69Å; L298-F316 HydrophobicContact CB-CE1 4.04Å; L298-F316 HydrophobicContact CD1-CB 3.87Å; L298-F316 HydrophobicContact CD1-CD1 3.89Å; L298-F316 HydrophobicContact CD1-CG 3.92Å; L298-F316 HydrophobicContact CG-CD1 4.44Å; L298-S394 CarbonylContact O-C 3.53Å; L298-S394 WeakPolarHBondContact O-CA 3.41Å; L298-S394 WeakPolarHBondContact O-CB 3.2Å; L298-V395 PolarHBondContact N-O 3.34Å; L298-V395 PolarHBondContact O-N 3Å; L298-L397 HydrophobicContact CD1-CD1 4.32Å
299H98.3Very high95Very high8 Ų835 Ų354%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-102.9130.3-175.8-63-82.2000111.4G281 D283 Y311 C314G281-H299 PolarHBondContact O-N 3.08Å; D283-H299 IonicContact OD1-NE2 3.63Å; D283-H299 IonicContact OD2-CD2 3.68Å; D283-H299 IonicContact OD2-CE1 3.9Å; D283-H299 IonicContact OD2-NE2 2.86Å; D283-H299 PolarHBondContact OD2-NE2 3.47Å; H299-Y311 HydrophobicContact CB-CD1 4.45Å; H299-Y311 HydrophobicContact CB-CD2 4.3Å; H299-Y311 HydrophobicContact CB-CG 4.01Å; H299-Y311 AromaticContact CD2-CD1 3.59Å; H299-Y311 AromaticContact CD2-CE1 3.6Å; H299-Y311 AromaticContact CD2-CG 3.85Å; H299-Y311 AromaticContact CD2-CZ 3.88Å; H299-Y311 AromaticContact CE1-CE2 3.96Å; H299-Y311 AromaticContact CG-CD2 3.93Å; H299-Y311 AromaticContact CG-CG 3.89Å; H299-Y311 AromaticContact NE2-CE1 3.7Å; H299-Y311 AromaticContact NE2-CE2 3.9Å; H299-Y311 AromaticContact NE2-CZ 3.58Å; H299-C314 VanDerWaalsContact O-CB 3.24Å; H299-C314 WeakPolarHBondContact O-CB 3.33Å; H299-C314 PolarHBondContact O-N 2.87Å
300T97.4Very high95.3Very high0 Ų033.2 Ų33.20%017%0.166CC..  trans-90.1-13.2-178.763.70000113.4F302 R313 F316 T338 I392 A393T300-F302 PolarHBondContact O-N 3Å; T300-F302 WeakPolarHBondContact OG1-CD2 3.25Å; T300-R313 VanDerWaalsContact O-CG 3.26Å; T300-R313 WeakPolarHBondContact O-CG 3.23Å; T300-R313 PolarHBondContact O-NE 2.6Å; T300-R313 PolarHBondContact O-NH1 2.92Å; T300-F316 HydrophobicContact CG2-CE1 3.63Å; T300-F316 HydrophobicContact CG2-CZ 3.94Å; T300-T338 HydrophobicContact CG2-CG2 3.89Å; T300-I392 WeakPolarHBondContact CB-O 3.43Å; T300-I392 WeakPolarHBondContact CG2-O 3.5Å; T300-I392 PolarHBondContact OG1-O 3.4Å; T300-A393 PolarHBondContact N-O 2.77Å; T300-A393 WeakPolarHBondContact OG1-CA 3.32Å; T300-A393 PolarHBondContact OG1-O 3.21Å
301N96.6Very high95.5Very high11 Ų1130.3 Ų30.36%0.05915%0.146CC..  trans54.742.4177-164.147.3000114.7Q74 F308 N309 Y311 R313Q74-N301 PolarHBondContact NE2-O 3.31Å; Q74-N301 PolarHBondContact OE1-ND2 2.89Å; N301-F308 WeakPolarHBondContact O-CD2 3.38Å; N301-F308 WeakPolarHBondContact OD1-CA 3.24Å; N301-F308 WeakPolarHBondContact OD1-CD2 3.4Å; N301-N309 PolarHBondContact OD1-N 2.94Å; N301-Y311 PolarHBondContact ND2-O 2.8Å; N301-Y311 PolarHBondContact OD1-O 2.82Å; N301-Y311 VanDerWaalsContact OD1-O 3.1Å; N301-R313 HydrophobicContact CB-CB 4.19Å
302F96.2Very high95.7Very high1 Ų127.7 Ų27.70%0.00413%0.134CC..  trans-71.5140.5170.3-79.1-71.5000111.9P51 L52 T300 H305 F308 M387 H391P51-F302 HydrophobicContact CB-CD1 4.05Å; P51-F302 HydrophobicContact CB-CE1 4.42Å; P51-F302 HydrophobicContact CG-CD1 3.79Å; P51-F302 HydrophobicContact CG-CE1 3.99Å; L52-F302 HydrophobicContact CD1-CE1 4.27Å; L52-F302 HydrophobicContact CD1-CZ 4.19Å; L52-F302 HydrophobicContact CD2-CE1 3.61Å; L52-F302 HydrophobicContact CD2-CZ 4.07Å; L52-F302 HydrophobicContact CG-CE1 3.79Å; L52-F302 HydrophobicContact CG-CZ 4.2Å; T300-F302 PolarHBondContact O-N 3Å; T300-F302 WeakPolarHBondContact OG1-CD2 3.25Å; F302-H305 WeakPolarHBondContact O-CB 3.45Å; F302-H305 PolarHBondContact O-N 2.82Å; F302-F308 WeakPolarHBondContact O-CD2 3.02Å; F302-M387 HydrophobicContact CB-SD 3.88Å; F302-H391 HydrophobicContact CD2-CB 3.96Å; F302-H391 AromaticContact CE1-ND1 3.89Å; F302-H391 HydrophobicContact CE2-CB 4.01Å; F302-H391 AromaticContact CE2-ND1 3.9Å; F302-H391 HydrophobicContact CG-CB 4.34Å; F302-H391 HydrophobicContact CZ-CB 4.41Å; F302-H391 AromaticContact CZ-ND1 3.51Å
303P94.6Very high95.7Very high8 Ų825.8 Ų25.85%0.05212%0.122CC..THydrogen-bonded Turntrans-63.2150.7169.530.9-35.7000110Y46 P51 H305 F308 M387Y46-P303 HydrophobicContact CD1-CB 3.98Å; Y46-P303 HydrophobicContact CD2-CB 3.58Å; Y46-P303 HydrophobicContact CD2-CG 3.65Å; Y46-P303 HydrophobicContact CE1-CB 4.28Å; Y46-P303 HydrophobicContact CE2-CB 3.91Å; Y46-P303 HydrophobicContact CE2-CG 4.32Å; Y46-P303 HydrophobicContact CG-CB 3.62Å; Y46-P303 HydrophobicContact CG-CG 3.87Å; P51-P303 HydrophobicContact CB-CG 4.2Å; P303-H305 VanDerWaalsContact C-N 3.28Å; P303-F308 HydrophobicContact CB-CD1 4.37Å; P303-F308 HydrophobicContact CB-CD2 4.23Å; P303-F308 HydrophobicContact CB-CE1 4.12Å; P303-F308 HydrophobicContact CB-CE2 3.99Å; P303-F308 HydrophobicContact CB-CG 4.41Å; P303-F308 HydrophobicContact CB-CZ 3.93Å; P303-M387 WeakPolarHBondContact O-CE 3.4Å
304G91.4Very high95.7Very high10 Ų1025.5 Ų25.510%0.10312%0.121CC..THydrogen-bonded Turntrans81.53.9-171.200000114.1F371 M387G304-F371 WeakPolarHBondContact O-CB 3.23Å; G304-F371 VanDerWaalsContact O-CG 3.25Å; G304-F371 WeakPolarHBondContact O-CG 3.45Å; G304-M387 VanDerWaalsContact C-CE 3.45Å; G304-M387 WeakPolarHBondContact O-CE 3.18Å
305H93.8Very high95.8Very high8 Ų824.2 Ų24.24%0.03712%0.117CC..SBendtrans-99.5147.6166.8-173.1-105000110.9F302 P303 N307 F308 R361 E385 M387 A393F302-H305 WeakPolarHBondContact O-CB 3.45Å; F302-H305 PolarHBondContact O-N 2.82Å; P303-H305 VanDerWaalsContact C-N 3.28Å; H305-N307 VanDerWaalsContact C-N 3.25Å; H305-N307 PolarHBondContact ND1-N 2.83Å; H305-N307 PolarHBondContact O-N 2.85Å; H305-F308 WeakPolarHBondContact O-CB 3.23Å; H305-F308 PolarHBondContact O-N 2.83Å; H305-R361 PolarHBondContact CE1-NH2 3.38Å; H305-R361 PolarHBondContact NE2-NH2 3.07Å; H305-E385 IonicContact CD2-OE1 3.96Å; H305-E385 IonicContact CE1-OE1 3.96Å; H305-E385 IonicContact CE1-OE2 2.72Å; H305-E385 IonicContact NE2-OE1 3.71Å; H305-E385 PolarHBondContact NE2-OE1 3.15Å; H305-E385 IonicContact NE2-OE2 3.46Å; H305-M387 HydrophobicContact CB-CE 4.31Å; H305-M387 HydrophobicContact CB-SD 4Å; H305-A393 WeakPolarHBondContact CD2-CB 3.4Å; H305-A393 WeakPolarHBondContact NE2-CB 3.32Å
306Y91.4Very high95.9Very high70 Ų7021.1 Ų21.128%0.27510%0.104SC..THydrogen-bonded Turntrans-58.4-33.8-179.1178.1-87.4000113.8F308 R361 N367 N369Y306-F308 VanDerWaalsContact C-N 3.3Å; Y306-R361 VanDerWaalsContact CD1-NH1 3.32Å; Y306-R361 HydrophobicContact CD2-CB 4.5Å; Y306-N367 WeakPolarHBondContact CE2-OD1 3.37Å; Y306-N367 PolarHBondContact OH-ND2 3.01Å; Y306-N367 PolarHBondContact OH-OD1 3.46Å; Y306-N369 HydrophobicContact CD2-CB 3.7Å; Y306-N369 HydrophobicContact CE2-CB 4.08Å
307N92.6Very high95.9Very high25 Ų2525.6 Ų25.613%0.13412%0.124CC..THydrogen-bonded Turntrans-88.96.1178.8-71.6-18.3000113.3H305 N309 I310 Y311 R361H305-N307 VanDerWaalsContact C-N 3.25Å; H305-N307 PolarHBondContact ND1-N 2.83Å; H305-N307 PolarHBondContact O-N 2.85Å; N307-N309 PolarHBondContact O-N 2.87Å; N307-I310 HydrophobicContact CB-CD1 4.42Å; N307-I310 VanDerWaalsContact O-CB 3.32Å; N307-I310 WeakPolarHBondContact O-CB 3.47Å; N307-I310 PolarHBondContact O-N 3.14Å; N307-Y311 HydrophobicContact CB-CD2 4.04Å; N307-Y311 HydrophobicContact CB-CE2 4.03Å; N307-R361 PolarHBondContact ND2-NH1 3.13Å; N307-R361 PolarHBondContact OD1-NH1 2.86Å
308F94.5Very high95.7Very high36 Ų3624.9 Ų24.916%0.15812%0.119CC..THydrogen-bonded Turntrans-54.2137.2-178.7177.9-115.6000111.2F25 L56 N301 F302 P303 H305 Y306 I310F25-F308 HydrophobicContact CD1-CZ 4.16Å; F25-F308 AromaticContact CE1-CE1 3.84Å; F25-F308 HydrophobicContact CE1-CE1 3.84Å; F25-F308 AromaticContact CE1-CZ 3.76Å; F25-F308 HydrophobicContact CE1-CZ 3.76Å; F25-F308 HydrophobicContact CZ-CE1 4.29Å; F25-F308 HydrophobicContact CZ-CZ 4.28Å; L56-F308 HydrophobicContact CD1-CZ 4.39Å; L56-F308 HydrophobicContact CD2-CE2 4.5Å; L56-F308 HydrophobicContact CD2-CZ 3.78Å; N301-F308 WeakPolarHBondContact O-CD2 3.38Å; N301-F308 WeakPolarHBondContact OD1-CA 3.24Å; N301-F308 WeakPolarHBondContact OD1-CD2 3.4Å; F302-F308 WeakPolarHBondContact O-CD2 3.02Å; P303-F308 HydrophobicContact CB-CD1 4.37Å; P303-F308 HydrophobicContact CB-CD2 4.23Å; P303-F308 HydrophobicContact CB-CE1 4.12Å; P303-F308 HydrophobicContact CB-CE2 3.99Å; P303-F308 HydrophobicContact CB-CG 4.41Å; P303-F308 HydrophobicContact CB-CZ 3.93Å; H305-F308 WeakPolarHBondContact O-CB 3.23Å; H305-F308 PolarHBondContact O-N 2.83Å; Y306-F308 VanDerWaalsContact C-N 3.3Å; F308-I310 PolarHBondContact O-N 2.92Å; F308-I310 VanDerWaalsContact O-N 3.15Å
309N94.9Very high95.4Very high43 Ų4327.7 Ų27.723%0.2314%0.138CC..THydrogen-bonded Turntrans67.31-178.4-165.658000115.6F25 S26 N301 N307F25-N309 VanDerWaalsContact CD1-OD1 3.29Å; F25-N309 WeakPolarHBondContact CD1-OD1 3.08Å; F25-N309 HydrophobicContact CE1-CB 4.34Å; S26-N309 WeakPolarHBondContact CA-OD1 3.49Å; S26-N309 WeakPolarHBondContact CB-OD1 3.4Å; N301-N309 PolarHBondContact OD1-N 2.94Å; N307-N309 PolarHBondContact O-N 2.87Å
310I94.9Very high94.9Very high78 Ų7827.4 Ų27.440%0.414%0.136SC..THydrogen-bonded Turntrans-78.8-39.3166.2-58.9-179.9000109.9F278 N307 F308F278-I310 WeakPolarHBondContact CB-O 3.48Å; F278-I310 HydrophobicContact CD1-CG2 3.96Å; F278-I310 HydrophobicContact CE1-CG2 3.8Å; F278-I310 HydrophobicContact CZ-CG2 4.32Å; N307-I310 HydrophobicContact CB-CD1 4.42Å; N307-I310 VanDerWaalsContact O-CB 3.32Å; N307-I310 WeakPolarHBondContact O-CB 3.47Å; N307-I310 PolarHBondContact O-N 3.14Å; F308-I310 PolarHBondContact O-N 2.92Å; F308-I310 VanDerWaalsContact O-N 3.15Å
311Y96.8Very high94Very high19 Ų1930 Ų308%0.07515%0.152CC..SBendtrans-111.2153-176.9-62.1-88.6000110.9F278 D283 H299 N301 N307F278-Y311 AromaticContact CD1-CD1 3.78Å; F278-Y311 HydrophobicContact CD1-CD1 3.78Å; F278-Y311 AromaticContact CD1-CE1 3.47Å; F278-Y311 HydrophobicContact CD1-CE1 3.47Å; F278-Y311 VanDerWaalsContact CD1-CE1 3.47Å; F278-Y311 HydrophobicContact CD1-CG 4.49Å; F278-Y311 AromaticContact CD1-CZ 3.96Å; F278-Y311 AromaticContact CE1-CE1 3.85Å; F278-Y311 HydrophobicContact CE1-CE1 3.85Å; F278-Y311 AromaticContact CE1-CZ 3.93Å; F278-Y311 CarbonylContact O-C 3.54Å; D283-Y311 VanDerWaalsContact OD1-CE1 3.24Å; D283-Y311 WeakPolarHBondContact OD1-CE1 3.47Å; D283-Y311 PolarHBondContact OD1-OH 3.31Å; D283-Y311 PolarHBondContact OD2-OH 2.95Å; H299-Y311 HydrophobicContact CB-CD1 4.45Å; H299-Y311 HydrophobicContact CB-CD2 4.3Å; H299-Y311 HydrophobicContact CB-CG 4.01Å; H299-Y311 AromaticContact CD2-CD1 3.59Å; H299-Y311 AromaticContact CD2-CE1 3.6Å; H299-Y311 AromaticContact CD2-CG 3.85Å; H299-Y311 AromaticContact CD2-CZ 3.88Å; H299-Y311 AromaticContact CE1-CE2 3.96Å; H299-Y311 AromaticContact CG-CD2 3.93Å; H299-Y311 AromaticContact CG-CG 3.89Å; H299-Y311 AromaticContact NE2-CE1 3.7Å; H299-Y311 AromaticContact NE2-CE2 3.9Å; H299-Y311 AromaticContact NE2-CZ 3.58Å; N301-Y311 PolarHBondContact ND2-O 2.8Å; N301-Y311 PolarHBondContact OD1-O 2.82Å; N301-Y311 VanDerWaalsContact OD1-O 3.1Å; N307-Y311 HydrophobicContact CB-CD2 4.04Å; N307-Y311 HydrophobicContact CB-CE2 4.03Å
312H96.7Very high93.1Very high40 Ų4029.8 Ų29.819%0.18515%0.151CC..  trans-72.5151.5155.4-85.4-110.9000109.8P24 S26 F186 F278 G281 C314P24-H312 VanDerWaalsContact CB-CE1 3.44Å; P24-H312 WeakPolarHBondContact CB-CE1 3.42Å; S26-H312 PolarHBondContact OG-NE2 2.86Å; F186-H312 AromaticContact CD1-CE1 3.78Å; F186-H312 AromaticContact CD1-ND1 3.88Å; F186-H312 AromaticContact CE1-CE1 3.47Å; F186-H312 VanDerWaalsContact CE1-CE1 3.47Å; F186-H312 WeakPolarHBondContact CE1-CE1 3.45Å; F186-H312 AromaticContact CE1-NE2 3.61Å; F278-H312 PolarHBondContact O-N 3.16Å; G281-H312 WeakPolarHBondContact CA-O 3.36Å; H312-C314 PolarHBondContact O-N 2.92Å
313R96.8Very high91.7Very high23 Ų2337.9 Ų37.99%0.08719%0.186CC..  trans-61.4120.3171.2177.4177.8-59.5-91.51.7109.4T72 T300 N301 D315 T338T72-R313 WeakPolarHBondContact O-CD 3.34Å; T72-R313 PolarHBondContact O-NE 2.9Å; T72-R313 VanDerWaalsContact O-NE 3.16Å; T300-R313 VanDerWaalsContact O-CG 3.26Å; T300-R313 WeakPolarHBondContact O-CG 3.23Å; T300-R313 PolarHBondContact O-NE 2.6Å; T300-R313 PolarHBondContact O-NH1 2.92Å; N301-R313 HydrophobicContact CB-CB 4.19Å; R313-D315 PolarHBondContact O-N 3.49Å; R313-T338 HydrophobicContact CG-CG2 3.67Å
314C97.6Very high90.2Very high0 Ų042.3 Ų42.30%020%0.204CC..  trans-78.7110.1166.3-176.50000108.1V190 G281 H299 H312 F316 T338V190-C314 VanDerWaalsContact CG2-SG 3.56Å; G281-C314 WeakPolarHBondContact O-CB 3.29Å; H299-C314 VanDerWaalsContact O-CB 3.24Å; H299-C314 WeakPolarHBondContact O-CB 3.33Å; H299-C314 PolarHBondContact O-N 2.87Å; H312-C314 PolarHBondContact O-N 2.92Å; C314-F316 HydrophobicContact CB-CD1 4.47Å; C314-F316 PolarHBondContact O-N 3.4Å; C314-T338 WeakPolarHBondContact O-CG2 3.39Å; C314-T338 PolarHBondContact O-OG1 3.36Å
315D96.9Very high88.5Confident48 Ų4850 Ų5026%0.25724%0.238SC..  trans-83.686.6174.1-172.221.4000109.6C189 V190 R313 T338C189-D315 CarbonylContact C-O 3.57Å; C189-D315 VanDerWaalsContact CA-O 3.28Å; C189-D315 WeakPolarHBondContact CA-O 3.44Å; V190-D315 PolarHBondContact N-O 3.34Å; R313-D315 PolarHBondContact O-N 3.49Å; D315-T338 WeakPolarHBondContact CA-OG1 3.38Å
316F97.7Very high86.7Confident0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans-98.8156.5-17462.2-112.5000112.7V190 L298 T300 C314 I318 L336 T337 T338 V395V190-F316 HydrophobicContact CB-CB 4.29Å; V190-F316 CarbonylContact O-C 3.49Å; V190-F316 WeakPolarHBondContact O-CA 3.45Å; V190-F316 WeakPolarHBondContact O-CB 3.48Å; L298-F316 HydrophobicContact CB-CD1 3.69Å; L298-F316 HydrophobicContact CB-CE1 4.04Å; L298-F316 HydrophobicContact CD1-CB 3.87Å; L298-F316 HydrophobicContact CD1-CD1 3.89Å; L298-F316 HydrophobicContact CD1-CG 3.92Å; L298-F316 HydrophobicContact CG-CD1 4.44Å; T300-F316 HydrophobicContact CG2-CE1 3.63Å; T300-F316 HydrophobicContact CG2-CZ 3.94Å; C314-F316 HydrophobicContact CB-CD1 4.47Å; C314-F316 PolarHBondContact O-N 3.4Å; F316-I318 HydrophobicContact CD2-CD1 3.89Å; F316-I318 HydrophobicContact CD2-CG1 3.72Å; F316-I318 HydrophobicContact CE2-CD1 4.01Å; F316-I318 HydrophobicContact CE2-CG1 4.21Å; F316-L336 HydrophobicContact CD2-CD2 4.3Å; F316-L336 HydrophobicContact CE2-CD2 3.46Å; F316-L336 VanDerWaalsContact CE2-CD2 3.46Å; F316-L336 HydrophobicContact CZ-CD2 4.29Å; F316-T337 WeakPolarHBondContact O-CA 3.19Å; F316-T338 VanDerWaalsContact CD1-OG1 3.3Å; F316-T338 WeakPolarHBondContact CD1-OG1 3.28Å; F316-T338 WeakPolarHBondContact CG-OG1 3.41Å; F316-T338 PolarHBondContact N-OG1 2.92Å; F316-T338 PolarHBondContact O-N 2.8Å; F316-V395 HydrophobicContact CE1-CG2 4.05Å; F316-V395 HydrophobicContact CE2-CG2 4.23Å; F316-V395 HydrophobicContact CZ-CG2 3.58Å
317K97.7Very high84.8Confident95 Ų9554.2 Ų54.241%0.41329%0.293SS..EExtended strand (participates in β ladder)trans-127.8126.8168.9-63.3178.1-173171.70109.6V190 V192 I335 L336V190-K317 PolarHBondContact O-N 3Å; V192-K317 PolarHBondContact N-O 2.77Å; K317-I335 HydrophobicContact CB-CG2 4Å; K317-I335 HydrophobicContact CG-CG2 4.37Å; K317-L336 WeakPolarHBondContact CA-O 3.29Å
318I95.1Very high82.9Confident0 Ų059.4 Ų59.40%032%0.321CS..EExtended strand (participates in β ladder)trans-123.5111.9-178.5-48.4-172.2000107.9V192 F316 L320 L336 M382 V395V192-I318 HydrophobicContact CB-CB 4.46Å; V192-I318 HydrophobicContact CB-CG1 4.05Å; V192-I318 HydrophobicContact CB-CG2 4.37Å; V192-I318 HydrophobicContact CG1-CG2 4.41Å; V192-I318 HydrophobicContact CG2-CD1 4.11Å; V192-I318 HydrophobicContact CG2-CG1 3.68Å; F316-I318 HydrophobicContact CD2-CD1 3.89Å; F316-I318 HydrophobicContact CD2-CG1 3.72Å; F316-I318 HydrophobicContact CE2-CD1 4.01Å; F316-I318 HydrophobicContact CE2-CG1 4.21Å; I318-L320 HydrophobicContact CG2-CD2 4.09Å; I318-L320 PolarHBondContact O-N 2.94Å; I318-L336 HydrophobicContact CB-CB 4.3Å; I318-L336 HydrophobicContact CB-CD2 4.36Å; I318-L336 HydrophobicContact CD1-CD2 4.09Å; I318-L336 HydrophobicContact CG1-CD2 4.26Å; I318-L336 PolarHBondContact N-O 2.91Å; I318-L336 PolarHBondContact O-N 3.03Å; I318-M382 HydrophobicContact CD1-SD 4.38Å; I318-M382 HydrophobicContact CG2-CE 4.15Å; I318-M382 HydrophobicContact CG2-SD 3.78Å; I318-V395 HydrophobicContact CD1-CB 4.33Å; I318-V395 HydrophobicContact CD1-CG1 3.86Å; I318-V395 HydrophobicContact CD1-CG2 4.33Å
319P91.9Very high80.9Confident59 Ų5962.8 Ų62.838%0.38335%0.349SS..EExtended strand (participates in β ladder)trans-64.1133.9168.9-5.919.7000107.9V192 R194 C334V192-P319 WeakPolarHBondContact O-CD 3.37Å; R194-P319 WeakPolarHBondContact CD-O 3.5Å; R194-P319 HydrophobicContact CG-CB 4.42Å; R194-P319 HydrophobicContact CG-CG 4.04Å; R194-P319 PolarHBondContact NH1-O 3.01Å; P319-C334 CarbonylContact C-O 3.57Å
320L86.6Confident79.1Confident2 Ų266.8 Ų66.81%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-119.8134.8174.5-66.3-174.9000108.7I318 I322 C334 L336 I345 M382I318-L320 HydrophobicContact CG2-CD2 4.09Å; I318-L320 PolarHBondContact O-N 2.94Å; L320-I322 HydrophobicContact CB-CG1 4.36Å; L320-C334 HydrophobicContact CB-CB 4.38Å; L320-C334 PolarHBondContact N-O 3.1Å; L320-C334 PolarHBondContact O-N 3.46Å; L320-L336 HydrophobicContact CD1-CB 3.76Å; L320-L336 HydrophobicContact CD1-CD1 3.74Å; L320-L336 HydrophobicContact CD1-CG 4.41Å; L320-L336 HydrophobicContact CG-CB 4.01Å; L320-I345 HydrophobicContact CD1-CG2 4.45Å; L320-M382 HydrophobicContact CD2-CE 3.67Å
321V80Confident77.6Confident55 Ų5567.2 Ų67.233%0.33337%0.373SS..EExtended strand (participates in β ladder)trans-97108.4174.9-179.30000107.5T331 Q380V321-T331 HydrophobicContact CG1-CG2 3.54Å; V321-Q380 PolarHBondContact O-NE2 3.11Å
322I76.1Confident76.1Confident5 Ų570 Ų703%0.02639%0.386CS..EExtended strand (participates in β ladder)trans-106.6122.8-179.2-55.4-175.8000108.4L320 E332 C334 L348L320-I322 HydrophobicContact CB-CG1 4.36Å; I322-E332 PolarHBondContact N-O 3.36Å; I322-E332 VanDerWaalsContact N-O 3.11Å; I322-E332 PolarHBondContact O-N 3.08Å; I322-E332 VanDerWaalsContact O-N 3.14Å; I322-C334 HydrophobicContact CD1-CB 3.83Å; I322-C334 HydrophobicContact CG1-CB 4.43Å; I322-L348 HydrophobicContact CD1-CB 3.68Å; I322-L348 HydrophobicContact CD1-CD1 3.96Å; I322-L348 HydrophobicContact CD1-CG 4.41Å; I322-L348 WeakPolarHBondContact CG2-O 3.31Å
323K68.8Low74.9Confident172 Ų17274.7 Ų74.775%0.74841%0.413SS*.EExtended strand (participates in β ladder)trans-95.7110.7174.3-65.5-174.5179.4-175.50107.9
324K63.1Low74.3Confident101 Ų10175.5 Ų75.544%0.43942%0.422SS..  trans-76.4127.9168.2-76.2-179.2176.9168.60108.8G326 E332K324-G326 PolarHBondContact O-N 2.91Å; K324-E332 WeakPolarHBondContact CE-OE2 3.25Å; K324-E332 IonicContact NZ-OE1 2.77Å; K324-E332 PolarHBondContact NZ-OE1 2.87Å; K324-E332 IonicContact NZ-OE2 3.03Å; K324-E332 PolarHBondContact NZ-OE2 3.39Å
325E53.9Low74Confident171 Ų17180.7 Ų80.780%0.79945%0.448SS*.  trans-78.5113.1170.5-68.4-168.4171.500108.9H351E325-H351 IonicContact OE2-CD2 2.65Å; E325-H351 IonicContact OE2-NE2 3.94Å; E325-H351 PolarHBondContact OE2-NE2 2.86Å
326G57.4Low73.9Confident52 Ų5278.5 Ų78.554%0.53644%0.437SS..SBendtrans-175.9163.3-178.700000111.8K324 D328K324-G326 PolarHBondContact O-N 2.91Å; G326-D328 PolarHBondContact O-N 2.82Å; G326-D328 VanDerWaalsContact O-N 3.17Å
327A51Low73.8Confident115 Ų11580.4 Ų80.495%0.9545%0.448SS*.SBendtrans-60.4-24.4-175.700000113.9
328D52.4Low73.7Confident134 Ų13475.9 Ų75.972%0.71743%0.429SS*.SBendtrans-106.299.8166.3-77.4-33.1000109.1G326 Q330G326-D328 PolarHBondContact O-N 2.82Å; G326-D328 VanDerWaalsContact O-N 3.17Å; D328-Q330 PolarHBondContact O-N 3.45Å
329S53Low73.7Confident107 Ų10779.3 Ų79.375%0.74844%0.442SS*.  trans-71.972.2179.443.10000111.6
330Q56.8Low73.8Confident127 Ų12777.5 Ų77.559%0.59343%0.431SS*.PPolyproline II helixtrans-82.5125.3172.9-64.6-172.31.800109.8D328D328-Q330 PolarHBondContact O-N 3.45Å
331T63.1Low74.2Confident86 Ų8680.3 Ų80.353%0.52844%0.443SS..EExtended strand (participates in β ladder)trans-83.8119.3171-52.70000107.2V321V321-T331 HydrophobicContact CG1-CG2 3.54Å
332E65.4Low74.8Confident77 Ų7777.7 Ų77.736%0.3643%0.427SS..EExtended strand (participates in β ladder)trans-99.1123.6173.8-79-178.3-175.100109.5I322 K324I322-E332 PolarHBondContact N-O 3.36Å; I322-E332 VanDerWaalsContact N-O 3.11Å; I322-E332 PolarHBondContact O-N 3.08Å; I322-E332 VanDerWaalsContact O-N 3.14Å; K324-E332 WeakPolarHBondContact CE-OE2 3.25Å; K324-E332 IonicContact NZ-OE1 2.77Å; K324-E332 PolarHBondContact NZ-OE1 2.87Å; K324-E332 IonicContact NZ-OE2 3.03Å; K324-E332 PolarHBondContact NZ-OE2 3.39Å
333D71.3Confident75.5Confident140 Ų14079.8 Ų79.875%0.74944%0.438SS*.EExtended strand (participates in β ladder)trans-82.5116.8170.7-72.2-21.7000108.8
334C85.1Confident76.5Confident39 Ų3976.7 Ų76.726%0.26443%0.427SS..EExtended strand (participates in β ladder)trans-112.6136.5176.3179.50000109.4P319 L320 I322P319-C334 CarbonylContact C-O 3.57Å; L320-C334 HydrophobicContact CB-CB 4.38Å; L320-C334 PolarHBondContact N-O 3.1Å; L320-C334 PolarHBondContact O-N 3.46Å; I322-C334 HydrophobicContact CD1-CB 3.83Å; I322-C334 HydrophobicContact CG1-CB 4.43Å
335I91.3Very high77.6Confident110 Ų11072.3 Ų72.356%0.56441%0.408SS*.EExtended strand (participates in β ladder)trans-100.1108.4173-58.7177.2000108.4K317 T337K317-I335 HydrophobicContact CB-CG2 4Å; K317-I335 HydrophobicContact CG-CG2 4.37Å; I335-T337 HydrophobicContact CG2-CG2 4.32Å
336L93.4Very high79Confident2 Ų267.5 Ų67.51%0.0139%0.385CS..EExtended strand (participates in β ladder)trans-76.4135.4170-177.8155.6000109F316 K317 I318 L320 I345 F384 I392F316-L336 HydrophobicContact CD2-CD2 4.3Å; F316-L336 HydrophobicContact CE2-CD2 3.46Å; F316-L336 VanDerWaalsContact CE2-CD2 3.46Å; F316-L336 HydrophobicContact CZ-CD2 4.29Å; K317-L336 WeakPolarHBondContact CA-O 3.29Å; I318-L336 HydrophobicContact CB-CB 4.3Å; I318-L336 HydrophobicContact CB-CD2 4.36Å; I318-L336 HydrophobicContact CD1-CD2 4.09Å; I318-L336 HydrophobicContact CG1-CD2 4.26Å; I318-L336 PolarHBondContact N-O 2.91Å; I318-L336 PolarHBondContact O-N 3.03Å; L320-L336 HydrophobicContact CD1-CB 3.76Å; L320-L336 HydrophobicContact CD1-CD1 3.74Å; L320-L336 HydrophobicContact CD1-CG 4.41Å; L320-L336 HydrophobicContact CG-CB 4.01Å; L336-I345 HydrophobicContact CD1-CD1 3.24Å; L336-I345 HydrophobicContact CD1-CG1 4.02Å; L336-I345 HydrophobicContact CG-CD1 4.01Å; L336-F384 HydrophobicContact CD1-CD1 4.36Å; L336-F384 HydrophobicContact CD1-CE1 3.51Å; L336-F384 HydrophobicContact CD1-CZ 4.04Å; L336-F384 HydrophobicContact CD2-CE1 4.18Å; L336-I392 HydrophobicContact CD1-CD1 4.23Å; L336-I392 HydrophobicContact CD2-CD1 4.44Å
337T96Very high80.2Confident39 Ų3972.6 Ų72.624%0.23940%0.395CS..EExtended strand (participates in β ladder)trans-122.5168.1-179.9700000110.9F316 I335 Y339 S340F316-T337 WeakPolarHBondContact O-CA 3.19Å; I335-T337 HydrophobicContact CG2-CG2 4.32Å; T337-Y339 PolarHBondContact O-N 3.39Å; T337-Y339 PolarHBondContact OG1-N 2.78Å; T337-S340 PolarHBondContact N-OG 2.86Å; T337-S340 WeakPolarHBondContact O-CB 3.41Å; T337-S340 PolarHBondContact O-N 2.64Å; T337-S340 VanDerWaalsContact O-N 3.08Å; T337-S340 PolarHBondContact O-OG 3.14Å; T337-S340 PolarHBondContact OG1-N 2.96Å; T337-S340 PolarHBondContact OG1-OG 3.5Å
338T95.3Very high81.5Confident1 Ų170.4 Ų70.41%0.00637%0.367CS..THydrogen-bonded Turntrans-56.1-20.1172.7-65.10000114.2T300 R313 C314 D315 F316T300-T338 HydrophobicContact CG2-CG2 3.89Å; R313-T338 HydrophobicContact CG-CG2 3.67Å; C314-T338 WeakPolarHBondContact O-CG2 3.39Å; C314-T338 PolarHBondContact O-OG1 3.36Å; D315-T338 WeakPolarHBondContact CA-OG1 3.38Å; F316-T338 VanDerWaalsContact CD1-OG1 3.3Å; F316-T338 WeakPolarHBondContact CD1-OG1 3.28Å; F316-T338 WeakPolarHBondContact CG-OG1 3.41Å; F316-T338 PolarHBondContact N-OG1 2.92Å; F316-T338 PolarHBondContact O-N 2.8Å
339Y95.6Very high82.6Confident72 Ų7266 Ų6628%0.28234%0.343SS..THydrogen-bonded Turntrans-99.8-6-178.1-51.9-67.3000113.6L52 T72 T337L52-Y339 HydrophobicContact CD1-CD1 3.76Å; L52-Y339 HydrophobicContact CD1-CG 4.31Å; L52-Y339 HydrophobicContact CD2-CD1 3.71Å; L52-Y339 HydrophobicContact CD2-CE1 4.03Å; L52-Y339 HydrophobicContact CG-CD1 4.42Å; T72-Y339 HydrophobicContact CG2-CE1 4.42Å; T72-Y339 PolarHBondContact O-OH 2.82Å; T337-Y339 PolarHBondContact O-N 3.39Å; T337-Y339 PolarHBondContact OG1-N 2.78Å
340S94.4Very high82.8Confident21 Ų2163.5 Ų63.515%0.14733%0.334CS..  trans-64.7143.7178.2-61.90000111.5T337T337-S340 PolarHBondContact N-OG 2.86Å; T337-S340 WeakPolarHBondContact O-CB 3.41Å; T337-S340 PolarHBondContact O-N 2.64Å; T337-S340 VanDerWaalsContact O-N 3.08Å; T337-S340 PolarHBondContact O-OG 3.14Å; T337-S340 PolarHBondContact OG1-N 2.96Å; T337-S340 PolarHBondContact OG1-OG 3.5Å
341K94.1Very high82.9Confident60 Ų6063.4 Ų63.426%0.26133%0.333SS..BIsolated β-bridgetrans-96.2149.7171.6-66.8-169.5170.3-167.60111.4D343 Q344 I345K341-D343 WeakPolarHBondContact CB-OD1 3.47Å; K341-Q344 HydrophobicContact CB-CG 4.34Å; K341-I345 WeakPolarHBondContact O-CD1 3.48Å; K341-I345 WeakPolarHBondContact O-CG1 3.41Å; K341-I345 PolarHBondContact O-N 3.35Å
342W92.9Very high82.4Confident1 Ų165.4 Ų65.40%0.00435%0.348CS..Hα-helixtrans-68.7-40.7-175.6-175.4-112.1000113.7Q344 I345 Q346 M353 F377 F384 V386 N390 I392W342-Q344 VanDerWaalsContact C-N 3.32Å; W342-Q344 PolarHBondContact O-N 2.82Å; W342-I345 HydrophobicContact CE3-CB 4.43Å; W342-I345 HydrophobicContact CE3-CD1 4.09Å; W342-I345 HydrophobicContact CE3-CG2 4.5Å; W342-I345 HydrophobicContact CZ3-CG2 4.27Å; W342-I345 WeakPolarHBondContact O-CB 3.41Å; W342-I345 PolarHBondContact O-N 3.42Å; W342-Q346 HydrophobicContact CD2-CG 4.32Å; W342-Q346 HydrophobicContact CG-CG 4.36Å; W342-Q346 HydrophobicContact CZ2-CG 4.26Å; W342-Q346 WeakPolarHBondContact O-CG 3.48Å; W342-Q346 PolarHBondContact O-N 2.92Å; W342-M353 HydrophobicContact CH2-CE 3.52Å; W342-M353 HydrophobicContact CZ2-CE 3.18Å; W342-F377 AromaticContact CD1-CE2 3.91Å; W342-F377 HydrophobicContact CD2-CD2 4.4Å; W342-F377 AromaticContact CE2-CD2 3.56Å; W342-F377 AromaticContact CE2-CE2 3.94Å; W342-F377 AromaticContact CE2-CG 3.65Å; W342-F377 HydrophobicContact CH2-CB 3.61Å; W342-F377 HydrophobicContact CH2-CG 4.18Å; W342-F377 HydrophobicContact CZ2-CB 3.17Å; W342-F377 AromaticContact CZ2-CD1 3.78Å; W342-F377 HydrophobicContact CZ2-CD1 3.78Å; W342-F377 AromaticContact CZ2-CD2 3.64Å; W342-F377 HydrophobicContact CZ2-CD2 3.64Å; W342-F377 HydrophobicContact CZ2-CE2 4.41Å; W342-F377 AromaticContact CZ2-CG 3.27Å; W342-F377 HydrophobicContact CZ2-CG 3.27Å; W342-F377 AromaticContact NE1-CD1 3.89Å; W342-F377 AromaticContact NE1-CD2 3.46Å; W342-F377 AromaticContact NE1-CE1 3.77Å; W342-F377 AromaticContact NE1-CE2 3.34Å; W342-F377 VanDerWaalsContact NE1-CE2 3.34Å; W342-F377 AromaticContact NE1-CG 3.74Å; W342-F377 AromaticContact NE1-CZ 3.5Å; W342-F384 HydrophobicContact CE3-CB 4.01Å; W342-F384 HydrophobicContact CE3-CD1 4.39Å; W342-F384 HydrophobicContact CE3-CG 4.18Å; W342-F384 HydrophobicContact CH2-CB 3.87Å; W342-F384 AromaticContact CH2-CD2 3.88Å; W342-F384 HydrophobicContact CH2-CD2 3.88Å; W342-F384 AromaticContact CH2-CG 3.93Å; W342-F384 HydrophobicContact CH2-CG 3.93Å; W342-F384 HydrophobicContact CZ3-CB 3.48Å; W342-F384 VanDerWaalsContact CZ3-CB 3.48Å; W342-F384 AromaticContact CZ3-CD1 3.83Å; W342-F384 HydrophobicContact CZ3-CD1 3.83Å; W342-F384 AromaticContact CZ3-CD2 3.68Å; W342-F384 HydrophobicContact CZ3-CD2 3.68Å; W342-F384 HydrophobicContact CZ3-CE2 4.4Å; W342-F384 AromaticContact CZ3-CG 3.36Å; W342-F384 HydrophobicContact CZ3-CG 3.36Å; W342-V386 HydrophobicContact CB-CB 4.44Å; W342-V386 HydrophobicContact CB-CG1 3.58Å; W342-V386 HydrophobicContact CB-CG2 3.93Å; W342-V386 HydrophobicContact CD2-CG2 3.61Å; W342-V386 HydrophobicContact CE3-CG2 4Å; W342-V386 HydrophobicContact CG-CB 4.31Å; W342-V386 HydrophobicContact CG-CG1 3.81Å; W342-V386 HydrophobicContact CG-CG2 3.57Å; W342-N390 HydrophobicContact CB-CB 4.46Å; W342-N390 WeakPolarHBondContact CB-O 3.44Å; W342-N390 PolarHBondContact N-O 2.83Å; W342-I392 HydrophobicContact CE3-CD1 4.43Å; W342-I392 HydrophobicContact CE3-CG1 4.47Å
343D91.3Very high82.3Confident49 Ų4964.1 Ų64.126%0.26234%0.343SS..Hα-helixtrans-55.2-45.8176.348.36.3000112.1K341 I345 Q346 E347 N390K341-D343 WeakPolarHBondContact CB-OD1 3.47Å; D343-I345 VanDerWaalsContact C-N 3.28Å; D343-I345 PolarHBondContact O-N 2.86Å; D343-Q346 WeakPolarHBondContact O-CB 3.37Å; D343-Q346 PolarHBondContact O-N 2.8Å; D343-Q346 VanDerWaalsContact O-N 3.15Å; D343-E347 WeakPolarHBondContact O-CG 3.32Å; D343-E347 PolarHBondContact O-N 2.87Å; D343-N390 PolarHBondContact OD2-ND2 3.34Å
344Q89.1Confident82.3Confident107 Ų10766.1 Ų66.150%0.535%0.347SS..Hα-helixtrans-59.7-38.3175.3-64.3172.7-12.100112.3K341 W342 L348K341-Q344 HydrophobicContact CB-CG 4.34Å; W342-Q344 VanDerWaalsContact C-N 3.32Å; W342-Q344 PolarHBondContact O-N 2.82Å; Q344-L348 WeakPolarHBondContact O-CG 3.25Å; Q344-L348 PolarHBondContact O-N 2.86Å
345I86.5Confident82.2Confident8 Ų873.8 Ų73.84%0.04138%0.376CS..Hα-helixtrans-71.8-38.9177.9-63.3154.6000110.3L320 L336 K341 W342 D343 L348 L349 L379 I392L320-I345 HydrophobicContact CD1-CG2 4.45Å; L336-I345 HydrophobicContact CD1-CD1 3.24Å; L336-I345 HydrophobicContact CD1-CG1 4.02Å; L336-I345 HydrophobicContact CG-CD1 4.01Å; K341-I345 WeakPolarHBondContact O-CD1 3.48Å; K341-I345 WeakPolarHBondContact O-CG1 3.41Å; K341-I345 PolarHBondContact O-N 3.35Å; W342-I345 HydrophobicContact CE3-CB 4.43Å; W342-I345 HydrophobicContact CE3-CD1 4.09Å; W342-I345 HydrophobicContact CE3-CG2 4.5Å; W342-I345 HydrophobicContact CZ3-CG2 4.27Å; W342-I345 WeakPolarHBondContact O-CB 3.41Å; W342-I345 PolarHBondContact O-N 3.42Å; D343-I345 VanDerWaalsContact C-N 3.28Å; D343-I345 PolarHBondContact O-N 2.86Å; I345-L348 PolarHBondContact O-N 2.93Å; I345-L349 HydrophobicContact CG2-CD1 4.09Å; I345-L349 WeakPolarHBondContact O-CG 3.31Å; I345-L349 PolarHBondContact O-N 2.83Å; I345-L379 HydrophobicContact CG2-CD2 4.4Å; I345-I392 HydrophobicContact CD1-CD1 3.7Å
346Q84.4Confident82.1Confident71 Ų7170.6 Ų70.633%0.33236%0.363SS..Hα-helixtrans-63.6-41.2177.9-71.3-176.8-6900112.1W342 D343 L348 L349W342-Q346 HydrophobicContact CD2-CG 4.32Å; W342-Q346 HydrophobicContact CG-CG 4.36Å; W342-Q346 HydrophobicContact CZ2-CG 4.26Å; W342-Q346 WeakPolarHBondContact O-CG 3.48Å; W342-Q346 PolarHBondContact O-N 2.92Å; D343-Q346 WeakPolarHBondContact O-CB 3.37Å; D343-Q346 PolarHBondContact O-N 2.8Å; D343-Q346 VanDerWaalsContact O-N 3.15Å; Q346-L348 PolarHBondContact O-N 3.36Å; Q346-L349 PolarHBondContact O-N 2.83Å; Q346-L349 VanDerWaalsContact O-N 3.08Å
347E82.6Confident82Confident159 Ų15974.3 Ų74.374%0.74339%0.385SS*.Hα-helixtrans-58.2-38.2176.1-74.5176.5-17900112.1D343 L349D343-E347 WeakPolarHBondContact O-CG 3.32Å; D343-E347 PolarHBondContact O-N 2.87Å; E347-L349 VanDerWaalsContact C-N 3.26Å; E347-L349 PolarHBondContact O-N 2.86Å
348L78.6Confident81.7Confident68 Ų6875.5 Ų75.536%0.35639%0.393SS..Hα-helixtrans-70.3-20.5178.5-64.4170.4000113.4I322 Q344 I345 Q346I322-L348 HydrophobicContact CD1-CB 3.68Å; I322-L348 HydrophobicContact CD1-CD1 3.96Å; I322-L348 HydrophobicContact CD1-CG 4.41Å; I322-L348 WeakPolarHBondContact CG2-O 3.31Å; Q344-L348 WeakPolarHBondContact O-CG 3.25Å; Q344-L348 PolarHBondContact O-N 2.86Å; I345-L348 PolarHBondContact O-N 2.93Å; Q346-L348 PolarHBondContact O-N 3.36Å
349L73.6Confident81.4Confident42 Ų4278.5 Ų78.522%0.2241%0.408CS..Hα-helixtrans-91.8-9.7-175.5-67.1166000114.2I345 Q346 E347 H351 M353 L379I345-L349 HydrophobicContact CG2-CD1 4.09Å; I345-L349 WeakPolarHBondContact O-CG 3.31Å; I345-L349 PolarHBondContact O-N 2.83Å; Q346-L349 PolarHBondContact O-N 2.83Å; Q346-L349 VanDerWaalsContact O-N 3.08Å; E347-L349 VanDerWaalsContact C-N 3.26Å; E347-L349 PolarHBondContact O-N 2.86Å; L349-H351 VanDerWaalsContact C-N 3.28Å; L349-H351 PolarHBondContact O-N 3.45Å; L349-M353 HydrophobicContact CD1-CE 4.44Å; L349-M353 HydrophobicContact CD1-SD 3.99Å; L349-L379 HydrophobicContact CD1-CD1 3.91Å; L349-L379 HydrophobicContact CD1-CD2 3.69Å; L349-L379 HydrophobicContact CD1-CG 4.44Å; L349-L379 HydrophobicContact CD2-CD1 3.96Å; L349-L379 HydrophobicContact CD2-CD2 4.44Å
350G59Low80.8Confident54 Ų5480.8 Ų80.856%0.55742%0.421SS*.  trans72.4-20.8164.400000119.1
351H57.2Low80Confident125 Ų12582.4 Ų82.458%0.57942%0.424SS*.SBendtrans-144.8157.7-172.3-76-52.7000114.4E325 L349 M353E325-H351 IonicContact OE2-CD2 2.65Å; E325-H351 IonicContact OE2-NE2 3.94Å; E325-H351 PolarHBondContact OE2-NE2 2.86Å; L349-H351 VanDerWaalsContact C-N 3.28Å; L349-H351 PolarHBondContact O-N 3.45Å; H351-M353 PolarHBondContact O-N 3.41Å
352P53.6Low78.5Confident128 Ų12884.8 Ų84.883%0.83145%0.448SS*.  trans-68.3108.9-164.125.8-32.7000111.3
353M63Low76.7Confident50 Ų5088.1 Ų88.125%0.24647%0.472CS..PPolyproline II helixtrans-58.6145.5170.6-63.3-112.6-71.400109.7W342 L349 H351 F377 L379W342-M353 HydrophobicContact CH2-CE 3.52Å; W342-M353 HydrophobicContact CZ2-CE 3.18Å; L349-M353 HydrophobicContact CD1-CE 4.44Å; L349-M353 HydrophobicContact CD1-SD 3.99Å; H351-M353 PolarHBondContact O-N 3.41Å; M353-F377 HydrophobicContact CE-CB 3.99Å; M353-F377 HydrophobicContact CE-CD1 4.21Å; M353-F377 HydrophobicContact CE-CG 4.45Å; M353-L379 HydrophobicContact SD-CD1 4.43Å
354E71.9Confident75.1Confident182 Ų18289.3 Ų89.385%0.8548%0.484SS*.PPolyproline II helixtrans-47.1145.3171.6-71.6-176.4168.400110.5
355K82.6Confident73.4Confident200 Ų20089.3 Ų89.387%0.8750%0.502SS*.PPolyproline II helixtrans-55.2133.3178.1-72-173.6178.7-1790109.3
356P89.5Confident71.7Confident43 Ų4396.8 Ų96.828%0.27954%0.542SS..PPolyproline II helixtrans-65.8152.7-176.225.8-33.7000111.6F375 C376 F377P356-F375 HydrophobicContact CB-CB 3.93Å; P356-F375 HydrophobicContact CB-CD1 4.42Å; P356-F375 HydrophobicContact CG-CB 4.17Å; P356-F375 HydrophobicContact CG-CD1 3.96Å; P356-F375 HydrophobicContact CG-CG 4.44Å; P356-C376 VanDerWaalsContact CA-O 3.31Å; P356-C376 WeakPolarHBondContact CA-O 3.46Å; P356-C376 WeakPolarHBondContact CB-O 3.38Å; P356-F377 HydrophobicContact CB-CD1 3.82Å; P356-F377 HydrophobicContact CB-CD2 4.23Å; P356-F377 HydrophobicContact CB-CE1 3.57Å; P356-F377 HydrophobicContact CB-CE2 4Å; P356-F377 HydrophobicContact CB-CG 4.15Å; P356-F377 HydrophobicContact CB-CZ 3.66Å; P356-F377 HydrophobicContact CG-CD1 4.37Å; P356-F377 HydrophobicContact CG-CE1 3.65Å; P356-F377 HydrophobicContact CG-CE2 4.41Å; P356-F377 HydrophobicContact CG-CZ 3.67Å
357V90.4Very high70.7Confident80 Ų8096.8 Ų96.849%0.48555%0.545SS..EExtended strand (participates in β ladder)trans-76.5127.7165.5177.40000108.2M255 C376M255-V357 HydrophobicContact CE-CG1 4.38Å; V357-C376 HydrophobicContact CB-CB 4.19Å; V357-C376 PolarHBondContact N-O 3.43Å; V357-C376 PolarHBondContact O-N 3.02Å
358V91.1Very high70.1Confident65 Ų6594 Ų9439%0.39454%0.538SS..EExtended strand (participates in β ladder)trans-89.3126.4179.4-171.40000110.1H360 F375V358-H360 WeakPolarHBondContact CG1-NE2 3.06Å; V358-F375 HydrophobicContact CG1-CE1 4.36Å; V358-F375 HydrophobicContact CG2-CD1 4.03Å; V358-F375 HydrophobicContact CG2-CE1 4.03Å
359L89.1Confident70.3Confident64 Ų6491.9 Ų91.934%0.33553%0.528SS..EExtended strand (participates in β ladder)trans-110.7105.7-179.4-170.194000110.1R361 S373 T374 E385L359-R361 HydrophobicContact CD2-CG 3.6Å; L359-R361 VanDerWaalsContact CD2-NE 3.27Å; L359-R361 HydrophobicContact CG-CG 4.02Å; L359-S373 WeakPolarHBondContact O-CA 3.41Å; L359-S373 WeakPolarHBondContact O-CB 3.31Å; L359-T374 PolarHBondContact N-O 3.4Å; L359-T374 PolarHBondContact O-N 3.2Å; L359-E385 WeakPolarHBondContact CD2-OE1 3.24Å
360H82.9Confident70.9Confident120 Ų12094.5 Ų94.556%0.55655%0.547SS*.  trans-84.7-21-178.2-72-85.4000114.5V358 N369V358-H360 WeakPolarHBondContact CG1-NE2 3.06Å; H360-N369 PolarHBondContact O-ND2 3.19Å; H360-N369 VanDerWaalsContact O-ND2 3.12Å
361R77.8Confident72.3Confident54 Ų5495.7 Ų95.720%0.20454%0.537CS..  trans44.170.9-169.9-59.5-177.4-175.3-142.3-1.4110.7H305 Y306 N307 L359 S363 N369 E385H305-R361 PolarHBondContact CE1-NH2 3.38Å; H305-R361 PolarHBondContact NE2-NH2 3.07Å; Y306-R361 VanDerWaalsContact CD1-NH1 3.32Å; Y306-R361 HydrophobicContact CD2-CB 4.5Å; N307-R361 PolarHBondContact ND2-NH1 3.13Å; N307-R361 PolarHBondContact OD1-NH1 2.86Å; L359-R361 HydrophobicContact CD2-CG 3.6Å; L359-R361 VanDerWaalsContact CD2-NE 3.27Å; L359-R361 HydrophobicContact CG-CG 4.02Å; R361-S363 PolarHBondContact O-N 3.15Å; R361-N369 WeakPolarHBondContact O-CB 3.33Å; R361-E385 IonicContact CZ-OE1 2.74Å; R361-E385 IonicContact NE-OE1 2.84Å; R361-E385 VanDerWaalsContact NH2-CD 3.3Å; R361-E385 IonicContact NH2-OE1 2.95Å; R361-E385 PolarHBondContact NH2-OE1 2.81Å; R361-E385 IonicContact NH2-OE2 3.54Å; R361-E385 PolarHBondContact NH2-OE2 2.85Å
362S61.6Low73.7Confident110 Ų11091.5 Ų91.577%0.76953%0.527SS*.PPolyproline II helixtrans-50.9138.1-172.2-48.40000112.8S364S362-S364 PolarHBondContact O-N 2.86Å
363S55.3Low75.5Confident72 Ų7286.3 Ų86.350%0.50349%0.494SS..PPolyproline II helixtrans-60.2128.2175.6-53.30000111.2R361 N367 T368R361-S363 PolarHBondContact O-N 3.15Å; S363-N367 CarbonylContact C-O 3.56Å; S363-N367 WeakPolarHBondContact CA-O 3.07Å; S363-T368 WeakPolarHBondContact OG-CA 3.31Å
364S57.3Low77.1Confident74 Ų7484.5 Ų84.552%0.51749%0.486SS..BIsolated β-bridgetrans-92.4168.4161.566.50000109.3S362 N366 N367S362-S364 PolarHBondContact O-N 2.86Å; S364-N366 PolarHBondContact O-N 3.21Å; S364-N367 PolarHBondContact N-O 3.07Å; S364-N367 PolarHBondContact O-N 3.31Å; S364-N367 WeakPolarHBondContact OG-CB 3.43Å
365A52.9Low78.2Confident106 Ų10679 Ų7988%0.87646%0.46SS*.THydrogen-bonded Turntrans-50.2-26.2-174.700000114.6
366N52.1Low78.7Confident165 Ų16570.7 Ų70.788%0.88243%0.426SS*.THydrogen-bonded Turntrans-122.68.2-179.4-62.9-26.5000114.1S364S364-N366 PolarHBondContact O-N 3.21Å
367N62.6Low78.9Confident72 Ų7269.8 Ų69.839%0.38542%0.418SS..BIsolated β-bridgetrans-14592.6-177-162.5-23.1000109.6Y306 S363 S364Y306-N367 WeakPolarHBondContact CE2-OD1 3.37Å; Y306-N367 PolarHBondContact OH-ND2 3.01Å; Y306-N367 PolarHBondContact OH-OD1 3.46Å; S363-N367 CarbonylContact C-O 3.56Å; S363-N367 WeakPolarHBondContact CA-O 3.07Å; S364-N367 PolarHBondContact N-O 3.07Å; S364-N367 PolarHBondContact O-N 3.31Å; S364-N367 WeakPolarHBondContact OG-CB 3.43Å
368T71.2Confident78.9Confident100 Ų10068.4 Ų68.461%0.61342%0.42SS*.  trans-92.9128.9175.345.50000109.4S363 P370S363-T368 WeakPolarHBondContact OG-CA 3.31Å; T368-P370 WeakPolarHBondContact O-CD 3.23Å
369N82.7Confident78.7Confident24 Ų2466.5 Ų66.513%0.12841%0.407CS..  trans-77.6109.1172.4176.214.9000109.5Y306 H360 R361 F371 G372Y306-N369 HydrophobicContact CD2-CB 3.7Å; Y306-N369 HydrophobicContact CE2-CB 4.08Å; H360-N369 PolarHBondContact O-ND2 3.19Å; H360-N369 VanDerWaalsContact O-ND2 3.12Å; R361-N369 WeakPolarHBondContact O-CB 3.33Å; N369-F371 VanDerWaalsContact C-N 3.34Å; N369-F371 PolarHBondContact OD1-N 3.47Å; N369-F371 VanDerWaalsContact OD1-N 3.14Å; N369-G372 PolarHBondContact ND2-O 2.7Å
370P85.2Confident78.6Confident97 Ų9765.9 Ų65.963%0.6340%0.403SS*.THydrogen-bonded Turntrans-84.7-9.5-176.136-33.7000112.9T368T368-P370 WeakPolarHBondContact O-CD 3.23Å
371F88Confident78.9Confident79 Ų7965.5 Ų65.535%0.34640%0.396SS..THydrogen-bonded Turntrans-99.13.8-168.7-51.6-62.4000114.3G304 N369G304-F371 WeakPolarHBondContact O-CB 3.23Å; G304-F371 VanDerWaalsContact O-CG 3.25Å; G304-F371 WeakPolarHBondContact O-CG 3.45Å; N369-F371 VanDerWaalsContact C-N 3.34Å; N369-F371 PolarHBondContact OD1-N 3.47Å; N369-F371 VanDerWaalsContact OD1-N 3.14Å
372G87.5Confident79.6Confident36 Ų3662.9 Ų62.937%0.37139%0.387SS..  trans74.3-167.9-177.200000113.8N369N369-G372 PolarHBondContact ND2-O 2.7Å
373S91.8Very high81.2Confident20 Ų2060.3 Ų60.314%0.1436%0.364CS..  trans-84.1154.9-176.753.20000113.5L359L359-S373 WeakPolarHBondContact O-CA 3.41Å; L359-S373 WeakPolarHBondContact O-CB 3.31Å
374T94.8Very high83.1Confident12 Ų1256.9 Ų56.97%0.07434%0.34CS..EExtended strand (participates in β ladder)trans-108.4164.7167.153.50000111.1L359 E385 V386 M387L359-T374 PolarHBondContact N-O 3.4Å; L359-T374 PolarHBondContact O-N 3.2Å; T374-E385 HydrophobicContact CG2-CG 4.25Å; T374-E385 WeakPolarHBondContact OG1-CG 3.45Å; T374-E385 PolarHBondContact OG1-OE1 2.74Å; T374-V386 WeakPolarHBondContact CA-O 3.38Å; T374-V386 WeakPolarHBondContact CB-O 3.3Å; T374-M387 HydrophobicContact CG2-CG 4.33Å
375F95Very high85Confident67 Ų6753.8 Ų53.829%0.29432%0.317SS..EExtended strand (participates in β ladder)trans-116.9126.7-177.9-59-80.4000110.6P356 V358 F377 V386 Q388P356-F375 HydrophobicContact CB-CB 3.93Å; P356-F375 HydrophobicContact CB-CD1 4.42Å; P356-F375 HydrophobicContact CG-CB 4.17Å; P356-F375 HydrophobicContact CG-CD1 3.96Å; P356-F375 HydrophobicContact CG-CG 4.44Å; V358-F375 HydrophobicContact CG1-CE1 4.36Å; V358-F375 HydrophobicContact CG2-CD1 4.03Å; V358-F375 HydrophobicContact CG2-CE1 4.03Å; F375-F377 HydrophobicContact CB-CD2 4.36Å; F375-F377 HydrophobicContact CB-CE2 3.58Å; F375-F377 HydrophobicContact CB-CZ 4.09Å; F375-V386 PolarHBondContact N-O 3.38Å; F375-V386 PolarHBondContact O-N 3.26Å; F375-Q388 HydrophobicContact CE2-CG 4.38Å
376C94.6Very high87Confident25 Ų2548.9 Ų48.917%0.16928%0.276CS..EExtended strand (participates in β ladder)trans-104.3121.4-178.2-67.10000110.7P356 V357 I383 F384P356-C376 VanDerWaalsContact CA-O 3.31Å; P356-C376 WeakPolarHBondContact CA-O 3.46Å; P356-C376 WeakPolarHBondContact CB-O 3.38Å; V357-C376 HydrophobicContact CB-CB 4.19Å; V357-C376 PolarHBondContact N-O 3.43Å; V357-C376 PolarHBondContact O-N 3.02Å; C376-I383 HydrophobicContact CB-CG2 3.83Å; C376-F384 CarbonylContact C-O 3.54Å; C376-F384 VanDerWaalsContact CA-O 3.3Å; C376-F384 WeakPolarHBondContact CA-O 3.45Å
377F92.9Very high89.1Confident24 Ų2441.7 Ų41.711%0.10524%0.237CC..EExtended strand (participates in β ladder)trans-116134-179.9-61.3-94.3000111.1W342 M353 P356 F375 I383 F384 V386W342-F377 AromaticContact CD1-CE2 3.91Å; W342-F377 HydrophobicContact CD2-CD2 4.4Å; W342-F377 AromaticContact CE2-CD2 3.56Å; W342-F377 AromaticContact CE2-CE2 3.94Å; W342-F377 AromaticContact CE2-CG 3.65Å; W342-F377 HydrophobicContact CH2-CB 3.61Å; W342-F377 HydrophobicContact CH2-CG 4.18Å; W342-F377 HydrophobicContact CZ2-CB 3.17Å; W342-F377 AromaticContact CZ2-CD1 3.78Å; W342-F377 HydrophobicContact CZ2-CD1 3.78Å; W342-F377 AromaticContact CZ2-CD2 3.64Å; W342-F377 HydrophobicContact CZ2-CD2 3.64Å; W342-F377 HydrophobicContact CZ2-CE2 4.41Å; W342-F377 AromaticContact CZ2-CG 3.27Å; W342-F377 HydrophobicContact CZ2-CG 3.27Å; W342-F377 AromaticContact NE1-CD1 3.89Å; W342-F377 AromaticContact NE1-CD2 3.46Å; W342-F377 AromaticContact NE1-CE1 3.77Å; W342-F377 AromaticContact NE1-CE2 3.34Å; W342-F377 VanDerWaalsContact NE1-CE2 3.34Å; W342-F377 AromaticContact NE1-CG 3.74Å; W342-F377 AromaticContact NE1-CZ 3.5Å; M353-F377 HydrophobicContact CE-CB 3.99Å; M353-F377 HydrophobicContact CE-CD1 4.21Å; M353-F377 HydrophobicContact CE-CG 4.45Å; P356-F377 HydrophobicContact CB-CD1 3.82Å; P356-F377 HydrophobicContact CB-CD2 4.23Å; P356-F377 HydrophobicContact CB-CE1 3.57Å; P356-F377 HydrophobicContact CB-CE2 4Å; P356-F377 HydrophobicContact CB-CG 4.15Å; P356-F377 HydrophobicContact CB-CZ 3.66Å; P356-F377 HydrophobicContact CG-CD1 4.37Å; P356-F377 HydrophobicContact CG-CE1 3.65Å; P356-F377 HydrophobicContact CG-CE2 4.41Å; P356-F377 HydrophobicContact CG-CZ 3.67Å; F375-F377 HydrophobicContact CB-CD2 4.36Å; F375-F377 HydrophobicContact CB-CE2 3.58Å; F375-F377 HydrophobicContact CB-CZ 4.09Å; F377-I383 CarbonylContact O-C 3.52Å; F377-I383 VanDerWaalsContact O-CA 3.29Å; F377-I383 WeakPolarHBondContact O-CA 3.39Å; F377-F384 PolarHBondContact N-O 2.93Å; F377-F384 PolarHBondContact O-N 2.92Å; F377-V386 HydrophobicContact CD2-CB 4.24Å; F377-V386 HydrophobicContact CD2-CG2 3.72Å; F377-V386 HydrophobicContact CE2-CB 4.01Å; F377-V386 HydrophobicContact CE2-CG2 3.94Å
378G90.4Very high90.5Very high51 Ų5143.9 Ų43.953%0.52625%0.245SC..EExtended strand (participates in β ladder)trans-89.4131.1174.900000111.8M382G378-M382 CarbonylContact C-O 3.49Å; G378-M382 WeakPolarHBondContact CA-O 3.45Å
379L87.9Confident91.6Very high24 Ų2440.5 Ų40.513%0.12622%0.223CC..EExtended strand (participates in β ladder)trans-153.8128.3174.8176.569.2000110.5I345 L349 M353 R381 M382 F384I345-L379 HydrophobicContact CG2-CD2 4.4Å; L349-L379 HydrophobicContact CD1-CD1 3.91Å; L349-L379 HydrophobicContact CD1-CD2 3.69Å; L349-L379 HydrophobicContact CD1-CG 4.44Å; L349-L379 HydrophobicContact CD2-CD1 3.96Å; L349-L379 HydrophobicContact CD2-CD2 4.44Å; M353-L379 HydrophobicContact SD-CD1 4.43Å; L379-R381 VanDerWaalsContact C-N 3.32Å; L379-R381 PolarHBondContact O-N 2.7Å; L379-M382 PolarHBondContact N-O 3.31Å; L379-M382 WeakPolarHBondContact O-CA 3.27Å; L379-M382 WeakPolarHBondContact O-CB 3.38Å; L379-M382 PolarHBondContact O-N 3.22Å; L379-F384 HydrophobicContact CB-CD2 4.17Å; L379-F384 HydrophobicContact CB-CE2 3.88Å; L379-F384 HydrophobicContact CD2-CE2 4.13Å; L379-F384 HydrophobicContact CG-CE2 4.43Å
380Q87.1Confident92.2Very high52 Ų5242 Ų4224%0.24323%0.232CC..THydrogen-bonded Turntrans47.446.8173.1-60.9-177.129.700114.8R194 V321 M382R194-Q380 VanDerWaalsContact CZ-OE1 3.31Å; V321-Q380 PolarHBondContact O-NE2 3.11Å; Q380-M382 VanDerWaalsContact C-N 3.28Å; Q380-M382 HydrophobicContact CB-CE 3.95Å; Q380-M382 PolarHBondContact O-N 3.13Å
381R88.9Confident92.7Very high111 Ų11137.7 Ų37.742%0.41920%0.203SC..THydrogen-bonded Turntrans62.531.3-176.2-59.7-178.3169.7-178.6-7.2114.7A197 L379 Y398A197-R381 WeakPolarHBondContact O-CD 3.45Å; A197-R381 VanDerWaalsContact O-CZ 3.25Å; A197-R381 PolarHBondContact O-NE 2.96Å; A197-R381 PolarHBondContact O-NH1 2.92Å; L379-R381 VanDerWaalsContact C-N 3.32Å; L379-R381 PolarHBondContact O-N 2.7Å; R381-Y398 VanDerWaalsContact C-CZ 3.4Å; R381-Y398 VanDerWaalsContact CA-CZ 3.45Å; R381-Y398 HydrophobicContact CB-CD2 4.28Å; R381-Y398 HydrophobicContact CB-CE2 3.96Å; R381-Y398 HydrophobicContact CG-CE2 4.29Å; R381-Y398 VanDerWaalsContact O-CD1 3.24Å; R381-Y398 WeakPolarHBondContact O-CD1 3.32Å; R381-Y398 VanDerWaalsContact O-CE1 3.24Å; R381-Y398 WeakPolarHBondContact O-CE1 3.48Å; R381-Y398 PolarHBondContact O-N 3.33Å
382M92.8Very high93.1Very high0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-132.4150.9173.6-56175.3-79.500109.2P199 I318 L320 G378 L379 Q380 F384 V395 T396 L397P199-M382 HydrophobicContact CG-CG 3.88Å; P199-M382 HydrophobicContact CG-SD 4.23Å; I318-M382 HydrophobicContact CD1-SD 4.38Å; I318-M382 HydrophobicContact CG2-CE 4.15Å; I318-M382 HydrophobicContact CG2-SD 3.78Å; L320-M382 HydrophobicContact CD2-CE 3.67Å; G378-M382 CarbonylContact C-O 3.49Å; G378-M382 WeakPolarHBondContact CA-O 3.45Å; L379-M382 PolarHBondContact N-O 3.31Å; L379-M382 WeakPolarHBondContact O-CA 3.27Å; L379-M382 WeakPolarHBondContact O-CB 3.38Å; L379-M382 PolarHBondContact O-N 3.22Å; Q380-M382 VanDerWaalsContact C-N 3.28Å; Q380-M382 HydrophobicContact CB-CE 3.95Å; Q380-M382 PolarHBondContact O-N 3.13Å; M382-F384 HydrophobicContact CB-CD2 4.45Å; M382-F384 HydrophobicContact CB-CE2 3.76Å; M382-F384 HydrophobicContact CB-CZ 4.19Å; M382-F384 HydrophobicContact CE-CE2 4.31Å; M382-F384 HydrophobicContact CE-CZ 4.09Å; M382-F384 HydrophobicContact SD-CZ 4.27Å; M382-V395 HydrophobicContact CB-CG1 4.26Å; M382-T396 CarbonylContact C-O 3.53Å; M382-T396 WeakPolarHBondContact CA-O 3.14Å; M382-L397 HydrophobicContact CB-CD2 4.24Å; M382-L397 HydrophobicContact CG-CD2 3.48Å; M382-L397 VanDerWaalsContact CG-CD2 3.48Å; M382-L397 HydrophobicContact SD-CD2 3.49Å; M382-L397 WeakPolarHBondContact SD-CD2 3.26Å
383I94.2Very high93.6Very high56 Ų5632.3 Ų32.329%0.28717%0.169SC..EExtended strand (participates in β ladder)trans-113.7124.9169.9-64.3155.9000107.7C376 F377 V395 T396 Y398C376-I383 HydrophobicContact CB-CG2 3.83Å; F377-I383 CarbonylContact O-C 3.52Å; F377-I383 VanDerWaalsContact O-CA 3.29Å; F377-I383 WeakPolarHBondContact O-CA 3.39Å; I383-V395 WeakPolarHBondContact O-CA 3.17Å; I383-T396 PolarHBondContact N-O 2.76Å; I383-T396 PolarHBondContact O-N 2.59Å; I383-Y398 HydrophobicContact CD1-CE1 4.1Å; I383-Y398 HydrophobicContact CG1-CE1 3.92Å
384F95.3Very high93.9Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-99.5115175.7-64.7-94000108.5L336 W342 C376 F377 L379 M382 V386 I392 V395L336-F384 HydrophobicContact CD1-CD1 4.36Å; L336-F384 HydrophobicContact CD1-CE1 3.51Å; L336-F384 HydrophobicContact CD1-CZ 4.04Å; L336-F384 HydrophobicContact CD2-CE1 4.18Å; W342-F384 HydrophobicContact CE3-CB 4.01Å; W342-F384 HydrophobicContact CE3-CD1 4.39Å; W342-F384 HydrophobicContact CE3-CG 4.18Å; W342-F384 HydrophobicContact CH2-CB 3.87Å; W342-F384 AromaticContact CH2-CD2 3.88Å; W342-F384 HydrophobicContact CH2-CD2 3.88Å; W342-F384 AromaticContact CH2-CG 3.93Å; W342-F384 HydrophobicContact CH2-CG 3.93Å; W342-F384 HydrophobicContact CZ3-CB 3.48Å; W342-F384 VanDerWaalsContact CZ3-CB 3.48Å; W342-F384 AromaticContact CZ3-CD1 3.83Å; W342-F384 HydrophobicContact CZ3-CD1 3.83Å; W342-F384 AromaticContact CZ3-CD2 3.68Å; W342-F384 HydrophobicContact CZ3-CD2 3.68Å; W342-F384 HydrophobicContact CZ3-CE2 4.4Å; W342-F384 AromaticContact CZ3-CG 3.36Å; W342-F384 HydrophobicContact CZ3-CG 3.36Å; C376-F384 CarbonylContact C-O 3.54Å; C376-F384 VanDerWaalsContact CA-O 3.3Å; C376-F384 WeakPolarHBondContact CA-O 3.45Å; F377-F384 PolarHBondContact N-O 2.93Å; F377-F384 PolarHBondContact O-N 2.92Å; L379-F384 HydrophobicContact CB-CD2 4.17Å; L379-F384 HydrophobicContact CB-CE2 3.88Å; L379-F384 HydrophobicContact CD2-CE2 4.13Å; L379-F384 HydrophobicContact CG-CE2 4.43Å; M382-F384 HydrophobicContact CB-CD2 4.45Å; M382-F384 HydrophobicContact CB-CE2 3.76Å; M382-F384 HydrophobicContact CB-CZ 4.19Å; M382-F384 HydrophobicContact CE-CE2 4.31Å; M382-F384 HydrophobicContact CE-CZ 4.09Å; M382-F384 HydrophobicContact SD-CZ 4.27Å; F384-V386 HydrophobicContact CB-CG2 4.27Å; F384-I392 HydrophobicContact CD1-CD1 4.07Å; F384-I392 HydrophobicContact CD1-CG2 4.31Å; F384-V395 HydrophobicContact CD1-CG1 4.16Å; F384-V395 HydrophobicContact CD1-CG2 3.73Å; F384-V395 HydrophobicContact CE1-CG1 3.86Å; F384-V395 HydrophobicContact CE1-CG2 3.8Å; F384-V395 HydrophobicContact CZ-CG1 4.17Å
385E96.8Very high94Very high9 Ų931 Ų314%0.04216%0.161CC..EExtended strand (participates in β ladder)trans-86.6117.7169.6-176-174.5-174.700108.4H305 L359 R361 T374 I392 A393 S394H305-E385 IonicContact CD2-OE1 3.96Å; H305-E385 IonicContact CE1-OE1 3.96Å; H305-E385 IonicContact CE1-OE2 2.72Å; H305-E385 IonicContact NE2-OE1 3.71Å; H305-E385 PolarHBondContact NE2-OE1 3.15Å; H305-E385 IonicContact NE2-OE2 3.46Å; L359-E385 WeakPolarHBondContact CD2-OE1 3.24Å; R361-E385 IonicContact CZ-OE1 2.74Å; R361-E385 IonicContact NE-OE1 2.84Å; R361-E385 VanDerWaalsContact NH2-CD 3.3Å; R361-E385 IonicContact NH2-OE1 2.95Å; R361-E385 PolarHBondContact NH2-OE1 2.81Å; R361-E385 IonicContact NH2-OE2 3.54Å; R361-E385 PolarHBondContact NH2-OE2 2.85Å; T374-E385 HydrophobicContact CG2-CG 4.25Å; T374-E385 WeakPolarHBondContact OG1-CG 3.45Å; T374-E385 PolarHBondContact OG1-OE1 2.74Å; E385-I392 CarbonylContact O-C 3.54Å; E385-A393 HydrophobicContact CG-CB 4.29Å; E385-A393 PolarHBondContact O-N 3.25Å; E385-S394 WeakPolarHBondContact CB-OG 3.01Å; E385-S394 PolarHBondContact N-O 3.35Å; E385-S394 PolarHBondContact O-N 2.97Å; E385-S394 PolarHBondContact OE2-OG 3.22Å
386V96.3Very high94.1Very high2 Ų228.8 Ų28.81%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-116.8133.3-171.2-1760000109.7W342 T374 F375 F377 F384W342-V386 HydrophobicContact CB-CB 4.44Å; W342-V386 HydrophobicContact CB-CG1 3.58Å; W342-V386 HydrophobicContact CB-CG2 3.93Å; W342-V386 HydrophobicContact CD2-CG2 3.61Å; W342-V386 HydrophobicContact CE3-CG2 4Å; W342-V386 HydrophobicContact CG-CB 4.31Å; W342-V386 HydrophobicContact CG-CG1 3.81Å; W342-V386 HydrophobicContact CG-CG2 3.57Å; T374-V386 WeakPolarHBondContact CA-O 3.38Å; T374-V386 WeakPolarHBondContact CB-O 3.3Å; F375-V386 PolarHBondContact N-O 3.38Å; F375-V386 PolarHBondContact O-N 3.26Å; F377-V386 HydrophobicContact CD2-CB 4.24Å; F377-V386 HydrophobicContact CD2-CG2 3.72Å; F377-V386 HydrophobicContact CE2-CB 4.01Å; F377-V386 HydrophobicContact CE2-CG2 3.94Å; F384-V386 HydrophobicContact CB-CG2 4.27Å
387M95.5Very high94.2Very high14 Ų1427.6 Ų27.67%0.06914%0.144CC..  trans-80.8167.1175.4-63.6175.460.500111.3F302 P303 G304 H305 T374 N389 N390 H391 A393F302-M387 HydrophobicContact CB-SD 3.88Å; P303-M387 WeakPolarHBondContact O-CE 3.4Å; G304-M387 VanDerWaalsContact C-CE 3.45Å; G304-M387 WeakPolarHBondContact O-CE 3.18Å; H305-M387 HydrophobicContact CB-CE 4.31Å; H305-M387 HydrophobicContact CB-SD 4Å; T374-M387 HydrophobicContact CG2-CG 4.33Å; M387-N389 VanDerWaalsContact CB-OD1 3.23Å; M387-N389 WeakPolarHBondContact CB-OD1 3.49Å; M387-N389 PolarHBondContact O-N 2.95Å; M387-N389 VanDerWaalsContact O-N 3.16Å; M387-N390 PolarHBondContact O-N 2.84Å; M387-H391 PolarHBondContact N-O 3.31Å; M387-A393 HydrophobicContact CG-CB 3.86Å; M387-A393 HydrophobicContact SD-CB 4.17Å
388Q92.6Very high94.1Very high119 Ų11930.7 Ų30.756%0.55616%0.156SC*.THydrogen-bonded Turntrans-61.9-24-179.9-62.4179.918.600113.7F375 N390F375-Q388 HydrophobicContact CE2-CG 4.38Å; Q388-N390 VanDerWaalsContact C-N 3.29Å; Q388-N390 PolarHBondContact O-N 3.3Å
389N93.6Very high93.5Very high28 Ų2829.2 Ų29.215%0.1514%0.141CC..THydrogen-bonded Turntrans-8916.4176.965.11000113.7E48 M387 H391E48-N389 PolarHBondContact O-ND2 2.85Å; M387-N389 VanDerWaalsContact CB-OD1 3.23Å; M387-N389 WeakPolarHBondContact CB-OD1 3.49Å; M387-N389 PolarHBondContact O-N 2.95Å; M387-N389 VanDerWaalsContact O-N 3.16Å; N389-H391 PolarHBondContact O-N 3.29Å; N389-H391 VanDerWaalsContact O-N 3.14Å; N389-H391 WeakPolarHBondContact OD1-CB 3.26Å; N389-H391 PolarHBondContact OD1-N 2.9Å; N389-H391 VanDerWaalsContact OD1-N 3.17Å
390N94.9Very high92.4Very high57 Ų5730.9 Ų30.931%0.30516%0.158SC..SBendtrans63.85.6-177.2-64.9-49000116.1W342 D343 M387 Q388W342-N390 HydrophobicContact CB-CB 4.46Å; W342-N390 WeakPolarHBondContact CB-O 3.44Å; W342-N390 PolarHBondContact N-O 2.83Å; D343-N390 PolarHBondContact OD2-ND2 3.34Å; M387-N390 PolarHBondContact O-N 2.84Å; Q388-N390 VanDerWaalsContact C-N 3.29Å; Q388-N390 PolarHBondContact O-N 3.3Å
391H96.1Very high90.9Very high5 Ų533.8 Ų33.82%0.02318%0.181CC..BIsolated β-bridgetrans-75.2139.2170-75.2-76.5000110.8F302 M387 N389 A393F302-H391 HydrophobicContact CD2-CB 3.96Å; F302-H391 AromaticContact CE1-ND1 3.89Å; F302-H391 HydrophobicContact CE2-CB 4.01Å; F302-H391 AromaticContact CE2-ND1 3.9Å; F302-H391 HydrophobicContact CG-CB 4.34Å; F302-H391 HydrophobicContact CZ-CB 4.41Å; F302-H391 AromaticContact CZ-ND1 3.51Å; M387-H391 PolarHBondContact N-O 3.31Å; N389-H391 PolarHBondContact O-N 3.29Å; N389-H391 VanDerWaalsContact O-N 3.14Å; N389-H391 WeakPolarHBondContact OD1-CB 3.26Å; N389-H391 PolarHBondContact OD1-N 2.9Å; N389-H391 VanDerWaalsContact OD1-N 3.17Å; H391-A393 PolarHBondContact O-N 3.32Å
392I96.7Very high89.3Confident2 Ų231.6 Ų31.61%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-77.2118.6174.8-61.3164.7000107.7T300 L336 W342 I345 F384 E385 V395T300-I392 WeakPolarHBondContact CB-O 3.43Å; T300-I392 WeakPolarHBondContact CG2-O 3.5Å; T300-I392 PolarHBondContact OG1-O 3.4Å; L336-I392 HydrophobicContact CD1-CD1 4.23Å; L336-I392 HydrophobicContact CD2-CD1 4.44Å; W342-I392 HydrophobicContact CE3-CD1 4.43Å; W342-I392 HydrophobicContact CE3-CG1 4.47Å; I345-I392 HydrophobicContact CD1-CD1 3.7Å; F384-I392 HydrophobicContact CD1-CD1 4.07Å; F384-I392 HydrophobicContact CD1-CG2 4.31Å; E385-I392 CarbonylContact O-C 3.54Å; I392-V395 HydrophobicContact CG2-CG2 3.7Å
393A96.8Very high87.2Confident1 Ų136.5 Ų36.51%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-81.5-39.9176.700000112.5T300 H305 E385 M387 H391T300-A393 PolarHBondContact N-O 2.77Å; T300-A393 WeakPolarHBondContact OG1-CA 3.32Å; T300-A393 PolarHBondContact OG1-O 3.21Å; H305-A393 WeakPolarHBondContact CD2-CB 3.4Å; H305-A393 WeakPolarHBondContact NE2-CB 3.32Å; E385-A393 HydrophobicContact CG-CB 4.29Å; E385-A393 PolarHBondContact O-N 3.25Å; M387-A393 HydrophobicContact CG-CB 3.86Å; M387-A393 HydrophobicContact SD-CB 4.17Å; H391-A393 PolarHBondContact O-N 3.32Å
394S98Very high84.9Confident4 Ų441.3 Ų41.33%0.02824%0.235CC..EExtended strand (participates in β ladder)trans-153.4154.6176.773.80000112.2L298 E385L298-S394 CarbonylContact O-C 3.53Å; L298-S394 WeakPolarHBondContact O-CA 3.41Å; L298-S394 WeakPolarHBondContact O-CB 3.2Å; E385-S394 WeakPolarHBondContact CB-OG 3.01Å; E385-S394 PolarHBondContact N-O 3.35Å; E385-S394 PolarHBondContact O-N 2.97Å; E385-S394 PolarHBondContact OE2-OG 3.22Å
395V97.9Very high82.3Confident0 Ų046 Ų460%027%0.268CS..EExtended strand (participates in β ladder)trans-121.2120.8171.3-172.60000108.8V297 L298 F316 I318 M382 I383 F384 I392 L397V297-V395 WeakPolarHBondContact CA-O 3.44Å; L298-V395 PolarHBondContact N-O 3.34Å; L298-V395 PolarHBondContact O-N 3Å; F316-V395 HydrophobicContact CE1-CG2 4.05Å; F316-V395 HydrophobicContact CE2-CG2 4.23Å; F316-V395 HydrophobicContact CZ-CG2 3.58Å; I318-V395 HydrophobicContact CD1-CB 4.33Å; I318-V395 HydrophobicContact CD1-CG1 3.86Å; I318-V395 HydrophobicContact CD1-CG2 4.33Å; M382-V395 HydrophobicContact CB-CG1 4.26Å; I383-V395 WeakPolarHBondContact O-CA 3.17Å; F384-V395 HydrophobicContact CD1-CG1 4.16Å; F384-V395 HydrophobicContact CD1-CG2 3.73Å; F384-V395 HydrophobicContact CE1-CG1 3.86Å; F384-V395 HydrophobicContact CE1-CG2 3.8Å; F384-V395 HydrophobicContact CZ-CG1 4.17Å; I392-V395 HydrophobicContact CG2-CG2 3.7Å; V395-L397 HydrophobicContact CG1-CD2 3.87Å
396T97.6Very high79.8Confident20 Ų2051.8 Ų51.812%0.12330%0.295CS..EExtended strand (participates in β ladder)trans-99121.7175-63.20000109.9K295 F296 V297 M382 I383K295-T396 HydrophobicContact CD-CG2 3.45Å; K295-T396 VanDerWaalsContact CD-CG2 3.45Å; K295-T396 HydrophobicContact CG-CG2 3.58Å; F296-T396 CarbonylContact O-C 3.59Å; F296-T396 WeakPolarHBondContact O-CA 3.49Å; V297-T396 HydrophobicContact CG2-CG2 4.38Å; M382-T396 CarbonylContact C-O 3.53Å; M382-T396 WeakPolarHBondContact CA-O 3.14Å; I383-T396 PolarHBondContact N-O 2.76Å; I383-T396 PolarHBondContact O-N 2.59Å
397L96.3Very high77.3Confident0 Ų056 Ų560%033%0.331CS..EExtended strand (participates in β ladder)trans-101134.2176.9-46.5178.4000109.9V192 P199 L202 F230 K295 F296 L298 M382 V395V192-L397 HydrophobicContact CB-CD1 4.46Å; V192-L397 HydrophobicContact CG1-CD1 3.68Å; V192-L397 HydrophobicContact CG1-CD2 4.4Å; V192-L397 HydrophobicContact CG2-CD1 3.88Å; P199-L397 HydrophobicContact CB-CB 4.27Å; P199-L397 HydrophobicContact CG-CB 4.47Å; P199-L397 HydrophobicContact CG-CD2 4.39Å; L202-L397 HydrophobicContact CD2-CD1 3.68Å; F230-L397 HydrophobicContact CZ-CB 4Å; K295-L397 WeakPolarHBondContact CA-O 2.95Å; K295-L397 WeakPolarHBondContact CG-O 3.41Å; F296-L397 HydrophobicContact CB-CB 4.24Å; F296-L397 HydrophobicContact CB-CD1 4.25Å; F296-L397 HydrophobicContact CB-CG 4.41Å; F296-L397 HydrophobicContact CD2-CD1 4.5Å; F296-L397 PolarHBondContact N-O 3.38Å; F296-L397 VanDerWaalsContact N-O 3.08Å; F296-L397 PolarHBondContact O-N 2.72Å; L298-L397 HydrophobicContact CD1-CD1 4.32Å; M382-L397 HydrophobicContact CB-CD2 4.24Å; M382-L397 HydrophobicContact CG-CD2 3.48Å; M382-L397 VanDerWaalsContact CG-CD2 3.48Å; M382-L397 HydrophobicContact SD-CD2 3.49Å; M382-L397 WeakPolarHBondContact SD-CD2 3.26Å; V395-L397 HydrophobicContact CG1-CD2 3.87Å
398Y91.2Very high75.2Confident89 Ų8962.7 Ų62.735%0.34936%0.355SS..EExtended strand (participates in β ladder)trans-133.2119.9172.353.1-81.3000110.2R381 I383R381-Y398 VanDerWaalsContact C-CZ 3.4Å; R381-Y398 VanDerWaalsContact CA-CZ 3.45Å; R381-Y398 HydrophobicContact CB-CD2 4.28Å; R381-Y398 HydrophobicContact CB-CE2 3.96Å; R381-Y398 HydrophobicContact CG-CE2 4.29Å; R381-Y398 VanDerWaalsContact O-CD1 3.24Å; R381-Y398 WeakPolarHBondContact O-CD1 3.32Å; R381-Y398 VanDerWaalsContact O-CE1 3.24Å; R381-Y398 WeakPolarHBondContact O-CE1 3.48Å; R381-Y398 PolarHBondContact O-N 3.33Å; I383-Y398 HydrophobicContact CD1-CE1 4.1Å; I383-Y398 HydrophobicContact CG1-CE1 3.92Å
399G76.4Confident73.1Confident20 Ų2060.8 Ų60.821%0.20635%0.353CS..PPolyproline II helixtrans-103.4162.6179.900000112
400A65.4Low70.5Confident59 Ų5968.1 Ų68.149%0.48839%0.386SS..PPolyproline II helixtrans-68.6142.4164.600000109R402A400-R402 PolarHBondContact O-N 2.76Å
401P55.7Low67.9Low113 Ų11370.3 Ų70.373%0.73441%0.407SS*.PPolyproline II helixtrans-55.5128.5170.4-18.229.2000108.9T403P401-T403 PolarHBondContact O-N 3.34Å; P401-T403 VanDerWaalsContact O-N 3.13Å
402R56.2Low64.9Low65 Ų6575 Ų7525%0.24544%0.44CS..PPolyproline II helixtrans-58120.1172.3-89.2-177.1161.5161-1.3108.4F229 A400F229-R402 VanDerWaalsContact CG-NH1 3.34Å; A400-R402 PolarHBondContact O-N 2.76Å
403T47.2Very low61.9Low103 Ų10379 Ų7963%0.63247%0.473SS*.PPolyproline II helixtrans-65.9133.316052.80000106.5P401 S405P401-T403 PolarHBondContact O-N 3.34Å; P401-T403 VanDerWaalsContact O-N 3.13Å; T403-S405 PolarHBondContact O-N 3.41Å
404T45.8Very low58.8Low157 Ų15784.5 Ų84.596%0.96351%0.511SS*.THydrogen-bonded Turntrans-57.15.9-171.339.80000116.2
405S40.9Very low55.6Low99 Ų9988.8 Ų88.869%0.69254%0.541SS*.THydrogen-bonded Turntrans-97.4-3.8-173.864.90000115.6T403T403-S405 PolarHBondContact O-N 3.41Å
406Q44.1Very low52.5Low130 Ų130101 Ų10161%0.60760%0.598SS**SBendtrans-103.4116.6176-72.2-172.3-10.300110.8
407A43.8Very low50.2Low92 Ų92105.1 Ų105.176%0.7662%0.622SS**PPolyproline II helixtrans-56.5145.3174.700000110.9
408R51.1Low47.8Very low153 Ų153110.6 Ų110.658%0.57765%0.654SS**PPolyproline II helixtrans-52.2129.3171.1-77.4179.8171.6170-2.5107.7D236 E410D236-R408 IonicContact OD1-NH2 2.96Å; D236-R408 PolarHBondContact OD1-NH2 3.13Å; R408-E410 PolarHBondContact O-N 3.19Å
409P49.4Very low45.4Very low79 Ų79111.8 Ų111.851%0.51367%0.671SS.*  trans-59.7114.3163.823.7-28000105.7F229 S411F229-P409 HydrophobicContact CE1-CG 4.33Å; F229-P409 HydrophobicContact CZ-CG 4.2Å; P409-S411 PolarHBondContact O-N 3.15Å
410E39.9Very low43.6Very low182 Ų182117.2 Ų117.285%0.8570%0.699SS**  trans-52.6126.9-177.1-69.7-175.7159.100108.3R408 S412R408-E410 PolarHBondContact O-N 3.19Å; E410-S412 PolarHBondContact O-N 2.93Å
411S39.3Very low42.2Very low104 Ų104120.8 Ų120.873%0.72771%0.712SS**  trans-56.4111.3159.953.40000105.5P409 A413P409-S411 PolarHBondContact O-N 3.15Å; S411-A413 PolarHBondContact O-N 2.68Å
412S33.8Very low41.3Very low104 Ų104121.3 Ų121.373%0.72771%0.71SS**  trans-59.392166.955.10000106.7E410 S414E410-S412 PolarHBondContact O-N 2.93Å; S412-S414 VanDerWaalsContact C-N 3.33Å; S412-S414 PolarHBondContact O-N 2.99Å
413A33.3Very low40.3Very low84 Ų84125.4 Ų125.469%0.69474%0.744SS**  trans-60.9104.8164.600000104.8S411 S415S411-A413 PolarHBondContact O-N 2.68Å; A413-S415 PolarHBondContact O-N 3.28Å
414S30.6Very low39.7Very low117 Ų117127.1 Ų127.182%0.81875%0.752SS**  trans-65.587.2164.253.60000106.7S412 H416S412-S414 VanDerWaalsContact C-N 3.33Å; S412-S414 PolarHBondContact O-N 2.99Å; S414-H416 PolarHBondContact O-N 3.41Å; S414-H416 VanDerWaalsContact O-N 3.16Å
415S31.4Very low39.2Very low94 Ų94124.6 Ų124.666%0.65774%0.735SS**  trans-61.7102.6152.549.50000106.8A413A413-S415 PolarHBondContact O-N 3.28Å
416H33.1Very low39.1Very low257 Ų257126.9 Ų126.9100%1.1974%0.738SS**  176.90126.2-86.7-55.2000110.9S414S414-H416 PolarHBondContact O-N 3.41Å; S414-H416 VanDerWaalsContact O-N 3.16Å

Retrieved 416 of 416 residues in 371 ms (Link to these results)

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