A0A3Q0KFE4_SCHMA Loading...

DNA sliding clamp PCNA

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

AlphaFold DB , UniProt , Accession A0A3Q0KFE4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 260 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M92.3Very high96.8Very high98 Ų9839.1 Ų39.148%0.48320%0.196SC..  01450175.8177.8-91.100108.3D63 D94M1-D63 WeakPolarHBondContact CB-OD2 3.43Å; M1-D63 PolarHBondContact N-OD2 2.94Å; M1-D63 PolarHBondContact O-N 3.18Å; M1-D94 WeakPolarHBondContact CA-OD1 3.49Å; M1-D94 PolarHBondContact N-OD1 3.05Å
2F97.6Very high96.8Very high0 Ų036.4 Ų36.40%018%0.182CC..EExtended strand (participates in β ladder)trans-114.1131.5172.7167.2-111000110.4A4 C30 I35 Y60 R61 C62 L66 L68 L90 K91 A92F2-A4 HydrophobicContact CE2-CB 3.84Å; F2-A4 HydrophobicContact CZ-CB 3.66Å; F2-C30 HydrophobicContact CD2-CB 3.79Å; F2-C30 HydrophobicContact CE2-CB 3.75Å; F2-C30 HydrophobicContact CG-CB 4.3Å; F2-C30 HydrophobicContact CZ-CB 4.22Å; F2-C30 VanDerWaalsContact CZ-SG 3.56Å; F2-I35 HydrophobicContact CE2-CD1 4.27Å; F2-I35 HydrophobicContact CE2-CG1 4.31Å; F2-I35 HydrophobicContact CZ-CD1 3.74Å; F2-I35 HydrophobicContact CZ-CG1 4.19Å; F2-Y60 AromaticContact CE2-CE2 3.85Å; F2-Y60 HydrophobicContact CE2-CE2 3.85Å; F2-Y60 AromaticContact CE2-CZ 3.92Å; F2-R61 CarbonylContact C-O 3.56Å; F2-R61 VanDerWaalsContact CA-O 3.3Å; F2-R61 WeakPolarHBondContact CA-O 3.26Å; F2-C62 HydrophobicContact CD2-CB 4.2Å; F2-L66 HydrophobicContact CB-CD1 3.5Å; F2-L66 HydrophobicContact CG-CD1 4.39Å; F2-L68 HydrophobicContact CD1-CD1 4Å; F2-L68 HydrophobicContact CE1-CD1 4.03Å; F2-L90 HydrophobicContact CE1-CB 4.03Å; F2-L90 HydrophobicContact CZ-CB 4.49Å; F2-K91 WeakPolarHBondContact O-CA 3.46Å; F2-A92 HydrophobicContact CB-CB 4.3Å; F2-A92 HydrophobicContact CD1-CB 3.96Å; F2-A92 PolarHBondContact N-O 2.9Å; F2-A92 PolarHBondContact O-N 2.75Å
3E98.2Very high96.8Very high57 Ų5736.8 Ų36.827%0.26618%0.182SC..EExtended strand (participates in β ladder)trans-144.4128.5173.6-173.1167.3134.700109.8Y60 R61 T89 L90 K91E3-Y60 CarbonylContact O-C 3.6Å; E3-Y60 WeakPolarHBondContact O-CA 3.49Å; E3-R61 PolarHBondContact N-O 3.38Å; E3-R61 PolarHBondContact O-N 2.89Å; E3-T89 HydrophobicContact CG-CG2 3.5Å; E3-L90 CarbonylContact C-O 3.56Å; E3-L90 VanDerWaalsContact CA-O 3.26Å; E3-L90 WeakPolarHBondContact CA-O 3.29Å; E3-K91 HydrophobicContact CG-CG 4.17Å; E3-K91 WeakPolarHBondContact OE2-CE 3.46Å; E3-K91 IonicContact OE2-NZ 2.66Å
4A98.5Very high96.9Very high1 Ų138.4 Ų38.41%0.00819%0.187CC..EExtended strand (participates in β ladder)trans-139.7123.3176.500000110.7F2 I35 F57 T59 Y60 T89 L90F2-A4 HydrophobicContact CE2-CB 3.84Å; F2-A4 HydrophobicContact CZ-CB 3.66Å; A4-I35 HydrophobicContact CB-CD1 4.14Å; A4-F57 HydrophobicContact CB-CD1 3.98Å; A4-F57 HydrophobicContact CB-CE1 3.91Å; A4-F57 HydrophobicContact CB-CZ 4.42Å; A4-T59 WeakPolarHBondContact CA-O 3.49Å; A4-Y60 HydrophobicContact CB-CD2 3.69Å; A4-Y60 HydrophobicContact CB-CE2 3.83Å; A4-T89 CarbonylContact O-C 3.53Å; A4-T89 WeakPolarHBondContact O-CA 3.48Å; A4-L90 PolarHBondContact N-O 3.4Å; A4-L90 PolarHBondContact O-N 3.42Å
5R98.3Very high97Very high48 Ų4835.9 Ų35.918%0.18118%0.175CC..EExtended strand (participates in β ladder)trans-117.9131.3-174-174.6179.8179.685.3-3.2112.6F57 E58 T59 A87 I88 T89 E104R5-F57 WeakPolarHBondContact O-CB 3.32Å; R5-E58 HydrophobicContact CB-CB 4.49Å; R5-E58 WeakPolarHBondContact CD-OE2 3.5Å; R5-E58 HydrophobicContact CG-CB 4.32Å; R5-E58 IonicContact CZ-OE2 2.67Å; R5-E58 IonicContact NE-OE2 2.75Å; R5-E58 PolarHBondContact NE-OE2 2.85Å; R5-E58 PolarHBondContact O-N 2.91Å; R5-T59 WeakPolarHBondContact CB-OG1 3.33Å; R5-T59 PolarHBondContact N-O 2.97Å; R5-A87 VanDerWaalsContact NH2-CB 3.29Å; R5-I88 CarbonylContact C-O 3.6Å; R5-I88 VanDerWaalsContact CA-O 3.27Å; R5-I88 WeakPolarHBondContact CA-O 3.39Å; R5-T89 HydrophobicContact CB-CG2 4.33Å; R5-T89 PolarHBondContact NH1-OG1 3.46Å; R5-E104 IonicContact CZ-OE2 3.45Å; R5-E104 IonicContact NH1-OE2 3.69Å; R5-E104 PolarHBondContact NH1-OE2 3.18Å; R5-E104 IonicContact NH2-OE2 3.4Å; R5-E104 PolarHBondContact NH2-OE2 3.01Å
6L97.7Very high97Very high7 Ų733.9 Ų33.94%0.03717%0.166CC..EExtended strand (participates in β ladder)trans-116.7146.6165.8-65.4176.7000110.2Q8 I11 F57 A87 I88 L244L6-Q8 PolarHBondContact O-N 2.88Å; L6-I11 HydrophobicContact CD1-CB 4.01Å; L6-I11 HydrophobicContact CD1-CD1 4.26Å; L6-I11 HydrophobicContact CD1-CG2 3.94Å; L6-F57 HydrophobicContact CD1-CE1 4.24Å; L6-F57 HydrophobicContact CD2-CD1 3.51Å; L6-F57 HydrophobicContact CD2-CE1 3.95Å; L6-F57 HydrophobicContact CD2-CG 4.16Å; L6-F57 HydrophobicContact CG-CD1 3.72Å; L6-F57 HydrophobicContact CG-CE1 3.88Å; L6-A87 WeakPolarHBondContact O-CA 3.23Å; L6-I88 HydrophobicContact CB-CG2 3.86Å; L6-I88 PolarHBondContact N-O 2.81Å; L6-I88 PolarHBondContact O-N 3.15Å; L6-L244 HydrophobicContact CD1-CD2 3.87Å; L6-L244 HydrophobicContact CD2-CD1 4.26Å; L6-L244 HydrophobicContact CD2-CD2 3.97Å
7T95.8Very high97Very high82 Ų8234.8 Ų34.850%0.50317%0.171SC..SBendtrans-69.1-18.9177.154.70000113E58 A87T7-E58 HydrophobicContact CG2-CB 4.24Å; T7-E58 HydrophobicContact CG2-CG 4.41Å; T7-A87 WeakPolarHBondContact O-CA 3.14Å
8Q95.7Very high97Very high73 Ų7332.9 Ų32.934%0.34116%0.162SC..  trans-136.9120.6-179.8-63-173.4-64.500111.7L6 D10 I11 N85 D86L6-Q8 PolarHBondContact O-N 2.88Å; Q8-D10 PolarHBondContact O-N 2.58Å; Q8-I11 PolarHBondContact O-N 3.32Å; Q8-N85 PolarHBondContact NE2-OD1 2.92Å; Q8-D86 CarbonylContact C-O 3.48Å; Q8-D86 WeakPolarHBondContact CA-O 3.5Å
9A96.8Very high97Very high0 Ų031.2 Ų31.20%015%0.153CC..Hα-helixtrans-66.2-19.417500000113I11 W12 K13 A82 G84 D86 I88A9-I11 PolarHBondContact O-N 3.27Å; A9-W12 PolarHBondContact O-N 3.03Å; A9-K13 WeakPolarHBondContact O-CG 3.44Å; A9-K13 PolarHBondContact O-N 2.81Å; A9-A82 HydrophobicContact CB-CB 3.94Å; A9-G84 PolarHBondContact N-O 2.93Å; A9-D86 WeakPolarHBondContact CB-O 2.82Å; A9-D86 PolarHBondContact N-O 3.2Å; A9-I88 HydrophobicContact CB-CB 3.99Å; A9-I88 HydrophobicContact CB-CG2 4.17Å
10D97.1Very high96.9Very high52 Ų5232.7 Ų32.728%0.27816%0.159SC..Hα-helixtrans-58-33.8177.6-164.260.8000113.3Q8 K13 K14 G84Q8-D10 PolarHBondContact O-N 2.58Å; D10-K13 WeakPolarHBondContact O-CB 3.33Å; D10-K13 PolarHBondContact O-N 2.93Å; D10-K14 WeakPolarHBondContact O-CB 3.26Å; D10-K14 VanDerWaalsContact O-CG 3.27Å; D10-K14 WeakPolarHBondContact O-CG 3.17Å; D10-K14 PolarHBondContact O-N 3.1Å; D10-K14 WeakPolarHBondContact OD2-CD 3.45Å; D10-K14 WeakPolarHBondContact OD2-CE 3.5Å; D10-K14 IonicContact OD2-NZ 2.63Å; D10-K14 PolarHBondContact OD2-NZ 3.01Å; D10-G84 WeakPolarHBondContact CB-O 3.49Å; D10-G84 PolarHBondContact N-O 3.23Å; D10-G84 VanDerWaalsContact N-O 3.14Å
11I97Very high96.8Very high12 Ų1234.8 Ų34.86%0.06217%0.171CC..Hα-helixtrans-60.2-51.9176.3-61.4174.7000109.8L6 Q8 A9 K13 K14 V15 I241 L244L6-I11 HydrophobicContact CD1-CB 4.01Å; L6-I11 HydrophobicContact CD1-CD1 4.26Å; L6-I11 HydrophobicContact CD1-CG2 3.94Å; Q8-I11 PolarHBondContact O-N 3.32Å; A9-I11 PolarHBondContact O-N 3.27Å; I11-K13 VanDerWaalsContact C-N 3.34Å; I11-K13 PolarHBondContact O-N 3.42Å; I11-K14 PolarHBondContact O-N 3.5Å; I11-V15 WeakPolarHBondContact O-CG2 3.33Å; I11-V15 PolarHBondContact O-N 3.31Å; I11-I241 HydrophobicContact CG2-CG2 3.81Å; I11-L244 HydrophobicContact CG2-CD2 3.99Å
12W96.7Very high96.8Very high7 Ų731 Ų313%0.02715%0.153CC..Hα-helixtrans-62.8-38.6177.6-87.8109.4000112.9A9 K14 V15 I16 L28 I35 L52 L79 I88 L90A9-W12 PolarHBondContact O-N 3.03Å; W12-K14 PolarHBondContact O-N 3.07Å; W12-V15 HydrophobicContact CE3-CG1 4.44Å; W12-V15 HydrophobicContact CZ3-CG1 4.44Å; W12-V15 PolarHBondContact O-N 2.81Å; W12-I16 HydrophobicContact CE3-CG1 4.46Å; W12-I16 WeakPolarHBondContact O-CB 3.45Å; W12-I16 WeakPolarHBondContact O-CG1 3.3Å; W12-I16 PolarHBondContact O-N 3.09Å; W12-L28 HydrophobicContact CH2-CD1 4.04Å; W12-L28 HydrophobicContact CH2-CD2 4.42Å; W12-L28 HydrophobicContact CZ3-CD1 4.31Å; W12-L28 HydrophobicContact CZ3-CD2 4.48Å; W12-I35 HydrophobicContact CH2-CD1 4.14Å; W12-I35 HydrophobicContact CH2-CG2 4.5Å; W12-I35 HydrophobicContact CZ2-CD1 3.79Å; W12-L52 HydrophobicContact CH2-CD1 3.77Å; W12-L52 HydrophobicContact CZ2-CD1 3.77Å; W12-L52 HydrophobicContact CZ3-CD1 4.42Å; W12-L79 HydrophobicContact CB-CD1 4.18Å; W12-L79 HydrophobicContact CB-CD2 3.91Å; W12-I88 HydrophobicContact CB-CD1 4.08Å; W12-I88 HydrophobicContact CG-CD1 4.02Å; W12-L90 HydrophobicContact CD2-CD1 4.36Å; W12-L90 HydrophobicContact CH2-CD1 3.92Å; W12-L90 HydrophobicContact CZ2-CD1 3.37Å
13K97.4Very high96.7Very high41 Ų4131.4 Ų31.418%0.17816%0.155CC..Hα-helixtrans-57.8-49.3174.5-74.1171.7172.4177.80111.4A9 D10 I11 I16 D17 L79 A82 S83A9-K13 WeakPolarHBondContact O-CG 3.44Å; A9-K13 PolarHBondContact O-N 2.81Å; D10-K13 WeakPolarHBondContact O-CB 3.33Å; D10-K13 PolarHBondContact O-N 2.93Å; I11-K13 VanDerWaalsContact C-N 3.34Å; I11-K13 PolarHBondContact O-N 3.42Å; K13-I16 PolarHBondContact O-N 2.92Å; K13-D17 VanDerWaalsContact O-CB 3.3Å; K13-D17 WeakPolarHBondContact O-CB 3.13Å; K13-D17 PolarHBondContact O-N 2.91Å; K13-L79 WeakPolarHBondContact CE-O 3.37Å; K13-L79 HydrophobicContact CG-CB 3.91Å; K13-A82 PolarHBondContact NZ-O 3.05Å; K13-S83 VanDerWaalsContact NZ-C 3.34Å; K13-S83 PolarHBondContact NZ-O 3.38Å
14K97.8Very high96.5Very high60 Ų6034.7 Ų34.726%0.26117%0.171SC..Hα-helixtrans-63.8-42.8179-70.8166.1165161.90111.7D10 I11 W12 D17 A18 P220 L221D10-K14 WeakPolarHBondContact O-CB 3.26Å; D10-K14 VanDerWaalsContact O-CG 3.27Å; D10-K14 WeakPolarHBondContact O-CG 3.17Å; D10-K14 PolarHBondContact O-N 3.1Å; D10-K14 WeakPolarHBondContact OD2-CD 3.45Å; D10-K14 WeakPolarHBondContact OD2-CE 3.5Å; D10-K14 IonicContact OD2-NZ 2.63Å; D10-K14 PolarHBondContact OD2-NZ 3.01Å; I11-K14 PolarHBondContact O-N 3.5Å; W12-K14 PolarHBondContact O-N 3.07Å; K14-D17 PolarHBondContact O-N 2.92Å; K14-A18 VanDerWaalsContact O-CB 3.23Å; K14-A18 WeakPolarHBondContact O-CB 3.34Å; K14-A18 PolarHBondContact O-N 2.83Å; K14-P220 HydrophobicContact CD-CB 4.04Å; K14-P220 WeakPolarHBondContact CD-O 3.44Å; K14-P220 WeakPolarHBondContact CE-O 3.39Å; K14-P220 HydrophobicContact CG-CB 4.01Å; K14-P220 PolarHBondContact NZ-O 2.8Å; K14-L221 HydrophobicContact CB-CD2 3.4Å; K14-L221 HydrophobicContact CB-CG 3.93Å; K14-L221 HydrophobicContact CD-CD2 4.29Å; K14-L221 HydrophobicContact CG-CD2 4.49Å
15V98Very high96.3Very high1 Ų138.6 Ų38.61%0.00619%0.189CC..Hα-helixtrans-59.7-51176.1168.30000111I11 W12 D17 A18 I19 L50 L221 I241I11-V15 WeakPolarHBondContact O-CG2 3.33Å; I11-V15 PolarHBondContact O-N 3.31Å; W12-V15 HydrophobicContact CE3-CG1 4.44Å; W12-V15 HydrophobicContact CZ3-CG1 4.44Å; W12-V15 PolarHBondContact O-N 2.81Å; V15-D17 PolarHBondContact O-N 2.98Å; V15-A18 WeakPolarHBondContact O-CB 3.16Å; V15-A18 PolarHBondContact O-N 3.38Å; V15-I19 PolarHBondContact O-N 3.12Å; V15-L50 HydrophobicContact CG1-CD1 3.94Å; V15-L50 HydrophobicContact CG1-CD2 3.61Å; V15-L50 HydrophobicContact CG1-CG 4.44Å; V15-L50 HydrophobicContact CG2-CD1 4.4Å; V15-L221 HydrophobicContact CG2-CD1 4.42Å; V15-L221 HydrophobicContact CG2-CD2 3.87Å; V15-I241 HydrophobicContact CG2-CD1 3.87Å
16I97.3Very high96.2Very high4 Ų436.6 Ų36.62%0.02118%0.182CC..Hα-helixtrans-64.9-41.5179.4-67.3-54.2000111.5W12 K13 A18 I19 K20 I72 L79W12-I16 HydrophobicContact CE3-CG1 4.46Å; W12-I16 WeakPolarHBondContact O-CB 3.45Å; W12-I16 WeakPolarHBondContact O-CG1 3.3Å; W12-I16 PolarHBondContact O-N 3.09Å; K13-I16 PolarHBondContact O-N 2.92Å; I16-A18 PolarHBondContact O-N 3.42Å; I16-I19 HydrophobicContact CD1-CD1 3.88Å; I16-I19 HydrophobicContact CD1-CG1 4.5Å; I16-I19 VanDerWaalsContact O-CG1 3.28Å; I16-I19 WeakPolarHBondContact O-CG1 3.12Å; I16-I19 PolarHBondContact O-N 2.88Å; I16-K20 WeakPolarHBondContact O-CB 3.02Å; I16-K20 PolarHBondContact O-N 2.72Å; I16-I72 HydrophobicContact CG2-CG2 4.02Å; I16-L79 HydrophobicContact CB-CD1 3.86Å; I16-L79 HydrophobicContact CG1-CD1 3.43Å; I16-L79 VanDerWaalsContact CG1-CD1 3.43Å; I16-L79 HydrophobicContact CG2-CD1 4.39Å
17D96.2Very high96.1Very high48 Ų4836.5 Ų36.526%0.25718%0.182SC..Hα-helixtrans-64.6-26.9176.1-84.4-25.6000113K13 K14 V15 I19 K20 R80K13-D17 VanDerWaalsContact O-CB 3.3Å; K13-D17 WeakPolarHBondContact O-CB 3.13Å; K13-D17 PolarHBondContact O-N 2.91Å; K14-D17 PolarHBondContact O-N 2.92Å; V15-D17 PolarHBondContact O-N 2.98Å; D17-I19 VanDerWaalsContact C-N 3.34Å; D17-K20 WeakPolarHBondContact OD1-CD 3.15Å; D17-K20 WeakPolarHBondContact OD1-CE 3.36Å; D17-K20 IonicContact OD1-NZ 2.6Å; D17-K20 PolarHBondContact OD1-NZ 3.28Å; D17-R80 IonicContact OD1-NH2 3.91Å
18A97.4Very high96.1Very high1 Ų132.7 Ų32.71%0.00816%0.159CC..Hα-helixtrans-77.3-15.9176.900000113.7K14 V15 I16 A218 L221 I247 Y249K14-A18 VanDerWaalsContact O-CB 3.23Å; K14-A18 WeakPolarHBondContact O-CB 3.34Å; K14-A18 PolarHBondContact O-N 2.83Å; V15-A18 WeakPolarHBondContact O-CB 3.16Å; V15-A18 PolarHBondContact O-N 3.38Å; I16-A18 PolarHBondContact O-N 3.42Å; A18-A218 HydrophobicContact CB-CB 3.93Å; A18-L221 HydrophobicContact CB-CD1 4.11Å; A18-I247 HydrophobicContact CB-CD1 4.22Å; A18-Y249 WeakPolarHBondContact CB-OH 3.4Å; A18-Y249 PolarHBondContact O-OH 3.32Å
19I96.8Very high96.1Very high0 Ų029.9 Ų29.90%015%0.146CC..Hα-helixtrans-112.4-23.4-179.463.9172.8000114.2V15 I16 D17 D21 L22 V23 L37 V48 I72 I247V15-I19 PolarHBondContact O-N 3.12Å; I16-I19 HydrophobicContact CD1-CD1 3.88Å; I16-I19 HydrophobicContact CD1-CG1 4.5Å; I16-I19 VanDerWaalsContact O-CG1 3.28Å; I16-I19 WeakPolarHBondContact O-CG1 3.12Å; I16-I19 PolarHBondContact O-N 2.88Å; D17-I19 VanDerWaalsContact C-N 3.34Å; I19-D21 PolarHBondContact O-N 3.33Å; I19-D21 VanDerWaalsContact O-N 3.08Å; I19-L22 WeakPolarHBondContact O-CB 3.44Å; I19-L22 PolarHBondContact O-N 2.72Å; I19-V23 PolarHBondContact O-N 2.8Å; I19-V23 VanDerWaalsContact O-N 3.15Å; I19-L37 HydrophobicContact CD1-CD1 3.88Å; I19-V48 HydrophobicContact CG2-CG2 3.82Å; I19-I72 HydrophobicContact CD1-CD1 3.83Å; I19-I72 HydrophobicContact CD1-CG1 4.37Å; I19-I72 HydrophobicContact CD1-CG2 4.16Å; I19-I72 HydrophobicContact CG1-CG2 3.91Å; I19-I247 HydrophobicContact CG2-CD1 3.6Å
20K94.9Very high96.1Very high61 Ų6129.9 Ų29.927%0.26515%0.146SC..THydrogen-bonded Turntrans-58-27.8-169.771.4-178.9174.1-168.70116I16 D17 I72I16-K20 WeakPolarHBondContact O-CB 3.02Å; I16-K20 PolarHBondContact O-N 2.72Å; D17-K20 WeakPolarHBondContact OD1-CD 3.15Å; D17-K20 WeakPolarHBondContact OD1-CE 3.36Å; D17-K20 IonicContact OD1-NZ 2.6Å; D17-K20 PolarHBondContact OD1-NZ 3.28Å; K20-I72 HydrophobicContact CB-CG2 3.77Å
21D94.5Very high96.1Very high78 Ų7829.1 Ų29.142%0.41714%0.143SC..THydrogen-bonded Turntrans-95.6-2.4-177-62.1-56.2000111.9I19 I214 K217I19-D21 PolarHBondContact O-N 3.33Å; I19-D21 VanDerWaalsContact O-N 3.08Å; D21-I214 HydrophobicContact CB-CG2 4.23Å; D21-K217 HydrophobicContact CB-CD 4.48Å; D21-K217 IonicContact OD1-NZ 3.81Å; D21-K217 VanDerWaalsContact OD2-CD 3.25Å; D21-K217 WeakPolarHBondContact OD2-CD 3.49Å; D21-K217 WeakPolarHBondContact OD2-CE 3.44Å; D21-K217 IonicContact OD2-NZ 3.08Å; D21-K217 PolarHBondContact OD2-NZ 2.93Å
22L94.2Very high96.1Very high17 Ų1735.3 Ų35.39%0.08917%0.172CC..THydrogen-bonded Turntrans-100.6-43.9175.8-166.666.9000111.3I19 D41 S46 V48 Y211 I214 F215 Y249I19-L22 WeakPolarHBondContact O-CB 3.44Å; I19-L22 PolarHBondContact O-N 2.72Å; L22-D41 HydrophobicContact CD1-CB 4.18Å; L22-D41 HydrophobicContact CG-CB 4.39Å; L22-S46 WeakPolarHBondContact CD1-OG 3.36Å; L22-V48 HydrophobicContact CD2-CB 3.69Å; L22-V48 HydrophobicContact CD2-CG1 3.89Å; L22-Y211 HydrophobicContact CD1-CD1 3.94Å; L22-Y211 HydrophobicContact CD1-CE1 4.12Å; L22-I214 HydrophobicContact CB-CG2 4.12Å; L22-I214 HydrophobicContact CD1-CG2 4.28Å; L22-F215 HydrophobicContact CD1-CE1 4.06Å; L22-F215 HydrophobicContact CD2-CE1 4.24Å; L22-Y249 HydrophobicContact CD2-CD1 4.04Å; L22-Y249 HydrophobicContact CD2-CE1 4.23Å
23V94.5Very high96.2Very high9 Ų940.3 Ų40.36%0.05520%0.199CC..  trans-135.9140.4-175.9-61.90000111.3I19 A26 A39 V48 I72I19-V23 PolarHBondContact O-N 2.8Å; I19-V23 VanDerWaalsContact O-N 3.15Å; V23-A26 HydrophobicContact CG2-CB 4.34Å; V23-A39 HydrophobicContact CB-CB 4.23Å; V23-A39 HydrophobicContact CG1-CB 3.77Å; V23-A39 HydrophobicContact CG2-CB 4.06Å; V23-V48 HydrophobicContact CG2-CG1 4.46Å; V23-I72 HydrophobicContact CG2-CG1 4.42Å
24Q94.3Very high96.2Very high126 Ų12638.5 Ų38.559%0.58919%0.192SC*.SBendtrans-83.7-34.2178.9-62.7-176.116.400111.9I72Q24-I72 WeakPolarHBondContact O-CB 3.34Å; Q24-I72 PolarHBondContact O-N 2.57Å
25E94.4Very high96.2Very high83 Ų8335.6 Ų35.639%0.38818%0.18SC..EExtended strand (participates in β ladder)trans-135.8140.9-174.2-64.9171.3-171.600108.6L70 M119 L121E25-L70 VanDerWaalsContact CA-O 3.26Å; E25-L70 WeakPolarHBondContact CA-O 3.49Å; E25-M119 VanDerWaalsContact CD-CE 3.46Å; E25-M119 HydrophobicContact CG-CE 4.29Å; E25-M119 HydrophobicContact CG-SD 4.07Å; E25-M119 VanDerWaalsContact OE1-CE 3.25Å; E25-M119 WeakPolarHBondContact OE1-CE 3.47Å; E25-L121 HydrophobicContact CB-CD1 4.11Å; E25-L121 HydrophobicContact CB-CD2 4.26Å; E25-L121 WeakPolarHBondContact OE2-CD2 3.03Å
26A95.1Very high96.2Very high6 Ų637.4 Ų37.45%0.0519%0.192CC..EExtended strand (participates in β ladder)trans-157.1161.4174.800000110.6V23 L37 A39 L70 I72V23-A26 HydrophobicContact CG2-CB 4.34Å; A26-L37 HydrophobicContact CB-CD1 3.59Å; A26-L37 HydrophobicContact CB-CD2 4.1Å; A26-L37 HydrophobicContact CB-CG 3.82Å; A26-A39 HydrophobicContact CB-CB 3.98Å; A26-L70 PolarHBondContact N-O 2.9Å; A26-L70 VanDerWaalsContact N-O 3.07Å; A26-L70 PolarHBondContact O-N 2.83Å; A26-I72 HydrophobicContact CB-CD1 3.98Å; A26-I72 HydrophobicContact CB-CG1 4.41Å
27T95.6Very high96.2Very high5 Ų537.3 Ų37.33%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-104.5132.8179.9-64.30000110.6L37 L68 V123T27-L37 WeakPolarHBondContact O-CA 3.37Å; T27-L37 WeakPolarHBondContact O-CG 3.45Å; T27-L68 WeakPolarHBondContact CA-O 3.44Å; T27-V123 HydrophobicContact CG2-CG2 4.05Å; T27-V123 WeakPolarHBondContact OG1-CG2 3.29Å
28L96.5Very high96.1Very high2 Ų236.4 Ų36.41%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-90.5109.3164.5-61.5-177.4000109W12 I35 L37 L68 L70W12-L28 HydrophobicContact CH2-CD1 4.04Å; W12-L28 HydrophobicContact CH2-CD2 4.42Å; W12-L28 HydrophobicContact CZ3-CD1 4.31Å; W12-L28 HydrophobicContact CZ3-CD2 4.48Å; L28-I35 HydrophobicContact CB-CG2 4.01Å; L28-I35 HydrophobicContact CD2-CG2 3.99Å; L28-I35 HydrophobicContact CG-CG2 4.4Å; L28-L37 HydrophobicContact CD2-CB 4.03Å; L28-L37 HydrophobicContact CD2-CD1 3.74Å; L28-L37 HydrophobicContact CD2-CG 4.48Å; L28-L68 HydrophobicContact CB-CB 4.29Å; L28-L68 PolarHBondContact N-O 3.09Å; L28-L68 PolarHBondContact O-N 2.86Å; L28-L70 HydrophobicContact CD1-CD1 3.52Å; L28-L70 HydrophobicContact CG-CD1 3.72Å; L28-L70 HydrophobicContact CG-CG 4.41Å
29D95.9Very high96Very high15 Ų1537 Ų378%0.0819%0.191CC..EExtended strand (participates in β ladder)trans-87.5109.3173.3-61.2-69000109.2I35 S36 L66 S67 H125D29-I35 CarbonylContact O-C 3.56Å; D29-I35 WeakPolarHBondContact O-CA 3.23Å; D29-S36 PolarHBondContact N-O 2.91Å; D29-S36 PolarHBondContact O-N 2.88Å; D29-L66 CarbonylContact C-O 3.59Å; D29-L66 WeakPolarHBondContact CA-O 3.5Å; D29-S67 WeakPolarHBondContact OD1-CB 3.38Å; D29-S67 PolarHBondContact OD1-OG 2.98Å; D29-H125 IonicContact OD1-CE1 3.81Å; D29-H125 IonicContact OD2-CE1 3.56Å; D29-H125 PolarHBondContact OD2-CE1 3.45Å; D29-H125 IonicContact OD2-NE2 3.73Å; D29-H125 PolarHBondContact OD2-NE2 3.38Å
30C97.2Very high95.8Very high0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-102.1126.6-177.9-540000108.8F2 C62 N65 L66F2-C30 HydrophobicContact CD2-CB 3.79Å; F2-C30 HydrophobicContact CE2-CB 3.75Å; F2-C30 HydrophobicContact CG-CB 4.3Å; F2-C30 HydrophobicContact CZ-CB 4.22Å; F2-C30 VanDerWaalsContact CZ-SG 3.56Å; C30-C62 VanDerWaalsContact C-SG 3.54Å; C30-C62 PolarHBondContact O-SG 3.03Å; C30-C62 VanDerWaalsContact O-SG 3.42Å; C30-N65 VanDerWaalsContact O-CA 3.29Å; C30-N65 WeakPolarHBondContact O-CA 3.25Å; C30-L66 HydrophobicContact CB-CB 4.39Å; C30-L66 PolarHBondContact N-O 3.32Å; C30-L66 PolarHBondContact O-N 2.8Å
31T97.1Very high95.7Very high36 Ų3637.8 Ų37.822%0.22120%0.196CC..EExtended strand (participates in β ladder)trans-138.2174.6179.168.70000109.7N33 G34 Y60 C62 N65T31-N33 PolarHBondContact O-N 2.81Å; T31-N33 PolarHBondContact OG1-N 2.89Å; T31-G34 PolarHBondContact N-O 2.99Å; T31-G34 PolarHBondContact O-N 2.86Å; T31-G34 VanDerWaalsContact O-N 3.09Å; T31-Y60 WeakPolarHBondContact O-CE1 3.46Å; T31-Y60 PolarHBondContact O-OH 2.84Å; T31-C62 WeakPolarHBondContact O-CB 3.27Å; T31-N65 HydrophobicContact CG2-CB 4.46Å
32E97.2Very high95.6Very high142 Ų14240.6 Ų40.666%0.66421%0.211SC*.THydrogen-bonded Turntrans-55.6-24.6174.165.9-176.317300114.1S54E32-S54 WeakPolarHBondContact O-CB 3.37Å; E32-S54 PolarHBondContact O-OG 2.63Å; E32-S54 VanDerWaalsContact O-OG 3.07Å
33N97.5Very high95.5Very high111 Ų11142.7 Ų42.759%0.59423%0.231SC*.THydrogen-bonded Turntrans-87.3-10.3-177.4-63.4-48.2000113.7T31 S54T31-N33 PolarHBondContact O-N 2.81Å; T31-N33 PolarHBondContact OG1-N 2.89Å; N33-S54 PolarHBondContact O-N 2.63Å; N33-S54 PolarHBondContact O-OG 3.11Å
34G98.1Very high95.3Very high3 Ų348.8 Ų48.83%0.03126%0.259CS..EExtended strand (participates in β ladder)trans133.7-158.4-177.900000113.8T31 L52 Y60T31-G34 PolarHBondContact N-O 2.99Å; T31-G34 PolarHBondContact O-N 2.86Å; T31-G34 VanDerWaalsContact O-N 3.09Å; G34-L52 CarbonylContact C-O 3.6Å; G34-L52 VanDerWaalsContact CA-O 3.23Å; G34-L52 WeakPolarHBondContact CA-O 3.27Å; G34-Y60 VanDerWaalsContact C-OH 3.22Å; G34-Y60 PolarHBondContact O-OH 2.89Å
35I98.2Very high95.3Very high0 Ų045.4 Ų45.40%025%0.247CC..EExtended strand (participates in β ladder)trans-114.8128.2-177.1-52.1175000108.8F2 A4 W12 L28 D29 L52 F57 Y60F2-I35 HydrophobicContact CE2-CD1 4.27Å; F2-I35 HydrophobicContact CE2-CG1 4.31Å; F2-I35 HydrophobicContact CZ-CD1 3.74Å; F2-I35 HydrophobicContact CZ-CG1 4.19Å; A4-I35 HydrophobicContact CB-CD1 4.14Å; W12-I35 HydrophobicContact CH2-CD1 4.14Å; W12-I35 HydrophobicContact CH2-CG2 4.5Å; W12-I35 HydrophobicContact CZ2-CD1 3.79Å; L28-I35 HydrophobicContact CB-CG2 4.01Å; L28-I35 HydrophobicContact CD2-CG2 3.99Å; L28-I35 HydrophobicContact CG-CG2 4.4Å; D29-I35 CarbonylContact O-C 3.56Å; D29-I35 WeakPolarHBondContact O-CA 3.23Å; I35-L52 HydrophobicContact CB-CB 4.36Å; I35-L52 PolarHBondContact N-O 3.38Å; I35-L52 PolarHBondContact O-N 3.39Å; I35-F57 HydrophobicContact CD1-CE1 4.26Å; I35-F57 HydrophobicContact CD1-CE2 4.42Å; I35-F57 HydrophobicContact CD1-CZ 3.67Å; I35-F57 HydrophobicContact CG1-CZ 4.19Å; I35-Y60 HydrophobicContact CD1-CE2 4.32Å; I35-Y60 HydrophobicContact CG1-CE2 3.89Å
36S97.2Very high95.3Very high38 Ų3841.6 Ų41.627%0.26623%0.229SC..EExtended strand (participates in β ladder)trans-118.4154.5168.551.40000111.3D29 L50D29-S36 PolarHBondContact N-O 2.91Å; D29-S36 PolarHBondContact O-N 2.88Å; S36-L50 VanDerWaalsContact CA-O 3.25Å; S36-L50 WeakPolarHBondContact CA-O 3.44Å
37L96.5Very high95.4Very high3 Ų342 Ų422%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-139.7133169173.1161.7000107.7I19 A26 T27 L28 A39 V48 S49 L50I19-L37 HydrophobicContact CD1-CD1 3.88Å; A26-L37 HydrophobicContact CB-CD1 3.59Å; A26-L37 HydrophobicContact CB-CD2 4.1Å; A26-L37 HydrophobicContact CB-CG 3.82Å; T27-L37 WeakPolarHBondContact O-CA 3.37Å; T27-L37 WeakPolarHBondContact O-CG 3.45Å; L28-L37 HydrophobicContact CD2-CB 4.03Å; L28-L37 HydrophobicContact CD2-CD1 3.74Å; L28-L37 HydrophobicContact CD2-CG 4.48Å; L37-A39 HydrophobicContact CD2-CB 4.33Å; L37-V48 HydrophobicContact CD2-CG1 4.04Å; L37-S49 CarbonylContact O-C 3.59Å; L37-S49 WeakPolarHBondContact O-CA 3.38Å; L37-L50 HydrophobicContact CB-CB 3.99Å; L37-L50 HydrophobicContact CB-CD2 4.25Å; L37-L50 PolarHBondContact N-O 3.28Å; L37-L50 PolarHBondContact O-N 2.82Å
38Q95.5Very high95.5Very high28 Ų2841.8 Ų41.813%0.13123%0.229CC..EExtended strand (participates in β ladder)trans-131.3131.5170.1-164.1-170.681.100108.9L47 V48 L126Q38-L47 HydrophobicContact CG-CD1 3.98Å; Q38-L47 HydrophobicContact CG-CD2 3.91Å; Q38-L47 HydrophobicContact CG-CG 4.11Å; Q38-V48 WeakPolarHBondContact CA-O 3.37Å; Q38-L126 PolarHBondContact NE2-O 2.93Å; Q38-L126 PolarHBondContact OE1-O 2.85Å
39A94.4Very high95.5Very high13 Ų1342.6 Ų42.611%0.10724%0.235CC..EExtended strand (participates in β ladder)trans-151.5139.917700000110.8V23 A26 L37 L47 V48V23-A39 HydrophobicContact CB-CB 4.23Å; V23-A39 HydrophobicContact CG1-CB 3.77Å; V23-A39 HydrophobicContact CG2-CB 4.06Å; A26-A39 HydrophobicContact CB-CB 3.98Å; L37-A39 HydrophobicContact CD2-CB 4.33Å; A39-L47 WeakPolarHBondContact O-CA 3.31Å; A39-V48 HydrophobicContact CB-CG1 4.09Å; A39-V48 PolarHBondContact N-O 2.89Å; A39-V48 WeakPolarHBondContact O-CG1 3.39Å; A39-V48 PolarHBondContact O-N 3.09Å
40M93.3Very high95.6Very high67 Ų6742 Ų4233%0.3323%0.232SC..EExtended strand (participates in β ladder)trans-97.6146.8174.2-158.1172-161.100109.6H44 S46 L126M40-H44 VanDerWaalsContact CE-CA 3.48Å; M40-H44 HydrophobicContact CE-CB 3.71Å; M40-H44 WeakPolarHBondContact CE-O 3.48Å; M40-H44 HydrophobicContact SD-CB 3.83Å; M40-H44 PolarHBondContact SD-ND1 2.91Å; M40-S46 WeakPolarHBondContact CA-O 3.47Å; M40-S46 VanDerWaalsContact CG-O 3.26Å; M40-S46 WeakPolarHBondContact CG-O 3.4Å; M40-L126 HydrophobicContact CB-CD1 4.47Å; M40-L126 HydrophobicContact SD-CD1 3.97Å
41D93.3Very high95.6Very high11 Ų1144.6 Ų44.66%0.05925%0.245CC..  trans-72.6162.6173.280.7-61.3000111.8L22 A43 H44 V45 S46 Y211L22-D41 HydrophobicContact CD1-CB 4.18Å; L22-D41 HydrophobicContact CG-CB 4.39Å; D41-A43 PolarHBondContact O-N 2.76Å; D41-A43 VanDerWaalsContact O-N 3.13Å; D41-A43 WeakPolarHBondContact OD2-CB 3.38Å; D41-A43 PolarHBondContact OD2-N 3.47Å; D41-H44 PolarHBondContact O-N 3.3Å; D41-H44 PolarHBondContact OD1-N 3.08Å; D41-V45 PolarHBondContact OD1-N 2.92Å; D41-S46 WeakPolarHBondContact CB-OG 3.46Å; D41-S46 PolarHBondContact N-O 3Å; D41-S46 WeakPolarHBondContact OD1-CA 3.41Å; D41-S46 PolarHBondContact OD1-N 3.46Å; D41-S46 PolarHBondContact OD1-OG 2.86Å; D41-Y211 HydrophobicContact CB-CE1 4.49Å; D41-Y211 WeakPolarHBondContact OD2-CE1 3.03Å; D41-Y211 PolarHBondContact OD2-OH 2.94Å
42N91Very high95.7Very high137 Ų13742.9 Ų42.973%0.73324%0.235SC*.THydrogen-bonded Turntrans-61.1-25.4-177.1-69.7-18.4000114H44N42-H44 VanDerWaalsContact C-N 3.29Å
43A92.1Very high95.8Very high61 Ų6140.4 Ų40.450%0.50422%0.219SC..THydrogen-bonded Turntrans-84-5.6177.600000112.8D41 V45D41-A43 PolarHBondContact O-N 2.76Å; D41-A43 VanDerWaalsContact O-N 3.13Å; D41-A43 WeakPolarHBondContact OD2-CB 3.38Å; D41-A43 PolarHBondContact OD2-N 3.47Å; A43-V45 HydrophobicContact CB-CG2 3.94Å; A43-V45 WeakPolarHBondContact O-CG2 3.37Å; A43-V45 PolarHBondContact O-N 3.37Å
44H90.6Very high95.8Very high137 Ų13736.7 Ų36.763%0.63420%0.202SC*.SBendtrans55.936-174.4-65.4-98.2000113.4M40 D41 N42M40-H44 VanDerWaalsContact CE-CA 3.48Å; M40-H44 HydrophobicContact CE-CB 3.71Å; M40-H44 WeakPolarHBondContact CE-O 3.48Å; M40-H44 HydrophobicContact SD-CB 3.83Å; M40-H44 PolarHBondContact SD-ND1 2.91Å; D41-H44 PolarHBondContact O-N 3.3Å; D41-H44 PolarHBondContact OD1-N 3.08Å; N42-H44 VanDerWaalsContact C-N 3.29Å
45V93.7Very high95.7Very high55 Ų5542.4 Ų42.433%0.33323%0.232SC..SBendtrans-107.2-22.3-179.7179.60000111.8D41 A43 Y211 L251 A252D41-V45 PolarHBondContact OD1-N 2.92Å; A43-V45 HydrophobicContact CB-CG2 3.94Å; A43-V45 WeakPolarHBondContact O-CG2 3.37Å; A43-V45 PolarHBondContact O-N 3.37Å; V45-Y211 HydrophobicContact CB-CE2 4.35Å; V45-Y211 HydrophobicContact CG1-CE2 4.1Å; V45-L251 HydrophobicContact CG1-CD1 3.94Å; V45-A252 HydrophobicContact CG1-CB 4.34Å; V45-A252 PolarHBondContact O-N 3.1Å
46S95.9Very high95.6Very high3 Ų343.7 Ų43.72%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-141152.4-174.865.60000112.7L22 M40 D41 Y211 Y250L22-S46 WeakPolarHBondContact CD1-OG 3.36Å; M40-S46 WeakPolarHBondContact CA-O 3.47Å; M40-S46 VanDerWaalsContact CG-O 3.26Å; M40-S46 WeakPolarHBondContact CG-O 3.4Å; D41-S46 WeakPolarHBondContact CB-OG 3.46Å; D41-S46 PolarHBondContact N-O 3Å; D41-S46 WeakPolarHBondContact OD1-CA 3.41Å; D41-S46 PolarHBondContact OD1-N 3.46Å; D41-S46 PolarHBondContact OD1-OG 2.86Å; S46-Y211 WeakPolarHBondContact OG-CD1 3.33Å; S46-Y211 WeakPolarHBondContact OG-CE1 3.44Å; S46-Y250 CarbonylContact C-O 3.55Å; S46-Y250 WeakPolarHBondContact CA-O 3.32Å; S46-Y250 WeakPolarHBondContact CB-O 3.41Å
47L96.2Very high95.7Very high16 Ų1642.6 Ų42.68%0.08424%0.236CC..EExtended strand (participates in β ladder)trans-135.7138.1179.4178149.9000109.8Q38 A39 L126 I128 Y249 Y250Q38-L47 HydrophobicContact CG-CD1 3.98Å; Q38-L47 HydrophobicContact CG-CD2 3.91Å; Q38-L47 HydrophobicContact CG-CG 4.11Å; A39-L47 WeakPolarHBondContact O-CA 3.31Å; L47-L126 HydrophobicContact CD1-CB 4.26Å; L47-L126 HydrophobicContact CD1-CD1 3.66Å; L47-I128 HydrophobicContact CD2-CD1 4Å; L47-Y249 CarbonylContact O-C 3.54Å; L47-Y249 WeakPolarHBondContact O-CA 3.26Å; L47-Y250 HydrophobicContact CB-CD2 4.5Å; L47-Y250 HydrophobicContact CD2-CD2 3.48Å; L47-Y250 VanDerWaalsContact CD2-CD2 3.48Å; L47-Y250 HydrophobicContact CD2-CE2 3.92Å; L47-Y250 HydrophobicContact CD2-CG 4.36Å; L47-Y250 PolarHBondContact N-O 3.17Å; L47-Y250 PolarHBondContact O-N 2.96Å
48V97.2Very high95.7Very high0 Ų047.8 Ų47.80%026%0.26CS..EExtended strand (participates in β ladder)trans-103.5137.5167.557.90000110.2I19 L22 V23 L37 Q38 A39 I247 R248 Y249I19-V48 HydrophobicContact CG2-CG2 3.82Å; L22-V48 HydrophobicContact CD2-CB 3.69Å; L22-V48 HydrophobicContact CD2-CG1 3.89Å; V23-V48 HydrophobicContact CG2-CG1 4.46Å; L37-V48 HydrophobicContact CD2-CG1 4.04Å; Q38-V48 WeakPolarHBondContact CA-O 3.37Å; A39-V48 HydrophobicContact CB-CG1 4.09Å; A39-V48 PolarHBondContact N-O 2.89Å; A39-V48 WeakPolarHBondContact O-CG1 3.39Å; A39-V48 PolarHBondContact O-N 3.09Å; V48-I247 HydrophobicContact CG2-CD1 3.76Å; V48-I247 HydrophobicContact CG2-CG1 3.82Å; V48-R248 CarbonylContact C-O 3.57Å; V48-R248 WeakPolarHBondContact CA-O 3.37Å; V48-Y249 HydrophobicContact CB-CD1 4.03Å; V48-Y249 HydrophobicContact CB-CE1 4.12Å; V48-Y249 HydrophobicContact CG2-CD1 4.04Å; V48-Y249 HydrophobicContact CG2-CE1 3.79Å
49S97.2Very high95.8Very high19 Ų1949.3 Ų49.313%0.13327%0.271CS..EExtended strand (participates in β ladder)trans-130.6118.5172.5179.20000109.5L37 I247 R248L37-S49 CarbonylContact O-C 3.59Å; L37-S49 WeakPolarHBondContact O-CA 3.38Å; S49-I247 CarbonylContact O-C 3.56Å; S49-I247 WeakPolarHBondContact O-CA 3.43Å; S49-R248 PolarHBondContact N-O 2.68Å; S49-R248 PolarHBondContact O-N 3.24Å
50L98.1Very high96Very high2 Ų250.7 Ų50.71%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-107.5138.9174.5179.872.1000108.8V15 S36 L37 L52 I241 I247V15-L50 HydrophobicContact CG1-CD1 3.94Å; V15-L50 HydrophobicContact CG1-CD2 3.61Å; V15-L50 HydrophobicContact CG1-CG 4.44Å; V15-L50 HydrophobicContact CG2-CD1 4.4Å; S36-L50 VanDerWaalsContact CA-O 3.25Å; S36-L50 WeakPolarHBondContact CA-O 3.44Å; L37-L50 HydrophobicContact CB-CB 3.99Å; L37-L50 HydrophobicContact CB-CD2 4.25Å; L37-L50 PolarHBondContact N-O 3.28Å; L37-L50 PolarHBondContact O-N 2.82Å; L50-L52 HydrophobicContact CD1-CD2 3.93Å; L50-L52 HydrophobicContact CD1-CG 4.31Å; L50-L52 HydrophobicContact CD2-CD1 4.27Å; L50-L52 HydrophobicContact CD2-CG 4.27Å; L50-L52 HydrophobicContact CG-CD2 4.31Å; L50-L52 HydrophobicContact CG-CG 4.15Å; L50-I241 HydrophobicContact CD1-CD1 3.59Å; L50-I247 HydrophobicContact CD1-CB 4.08Å
51L98Very high96.2Very high54 Ų5453.9 Ų53.928%0.28328%0.282SS..EExtended strand (participates in β ladder)trans-134.4124.8167.9179.168.6000108.8G245 Y246L51-G245 CarbonylContact O-C 3.58Å; L51-G245 WeakPolarHBondContact O-CA 2.94Å; L51-Y246 HydrophobicContact CB-CD2 4.4Å; L51-Y246 HydrophobicContact CB-CE1 4.24Å; L51-Y246 HydrophobicContact CB-CE2 3.93Å; L51-Y246 HydrophobicContact CD2-CE1 3.73Å; L51-Y246 PolarHBondContact N-O 2.87Å; L51-Y246 PolarHBondContact O-N 3.04Å
52L98.5Very high96.4Very high1 Ų154.1 Ų54.11%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-122.4114172-51.6178.1000107.6W12 G34 I35 L50 F57 I241 L244W12-L52 HydrophobicContact CH2-CD1 3.77Å; W12-L52 HydrophobicContact CZ2-CD1 3.77Å; W12-L52 HydrophobicContact CZ3-CD1 4.42Å; G34-L52 CarbonylContact C-O 3.6Å; G34-L52 VanDerWaalsContact CA-O 3.23Å; G34-L52 WeakPolarHBondContact CA-O 3.27Å; I35-L52 HydrophobicContact CB-CB 4.36Å; I35-L52 PolarHBondContact N-O 3.38Å; I35-L52 PolarHBondContact O-N 3.39Å; L50-L52 HydrophobicContact CD1-CD2 3.93Å; L50-L52 HydrophobicContact CD1-CG 4.31Å; L50-L52 HydrophobicContact CD2-CD1 4.27Å; L50-L52 HydrophobicContact CD2-CG 4.27Å; L50-L52 HydrophobicContact CG-CD2 4.31Å; L50-L52 HydrophobicContact CG-CG 4.15Å; L52-F57 HydrophobicContact CB-CE2 3.96Å; L52-F57 HydrophobicContact CB-CZ 3.87Å; L52-F57 HydrophobicContact CD1-CZ 4.13Å; L52-I241 HydrophobicContact CD2-CD1 3.76Å; L52-L244 CarbonylContact C-O 3.53Å; L52-L244 HydrophobicContact CB-CD1 4.12Å; L52-L244 HydrophobicContact CB-CD2 4.41Å; L52-L244 HydrophobicContact CB-CG 4.03Å; L52-L244 HydrophobicContact CD1-CD2 4.37Å; L52-L244 HydrophobicContact CD2-CD2 3.76Å; L52-L244 HydrophobicContact CD2-CG 3.82Å; L52-L244 HydrophobicContact CG-CD2 4.4Å; L52-L244 HydrophobicContact CG-CG 4.42Å
53R98.4Very high96.7Very high89 Ų8951.4 Ų51.434%0.33627%0.27SS..EExtended strand (participates in β ladder)trans-78.7146.3-175.9-60.9-177.2-63.7-86-0.2111.2D55 G56 F57 D243 L244R53-D55 WeakPolarHBondContact CB-OD1 3.3Å; R53-D55 IonicContact NE-OD1 2.68Å; R53-D55 PolarHBondContact O-N 3.3Å; R53-G56 PolarHBondContact O-N 3.19Å; R53-G56 VanDerWaalsContact O-N 3.12Å; R53-F57 WeakPolarHBondContact O-CD2 3.25Å; R53-F57 WeakPolarHBondContact O-CE2 3.33Å; R53-D243 PolarHBondContact NH2-O 2.7Å; R53-L244 PolarHBondContact N-O 2.9Å
54S97.9Very high96.8Very high33 Ų3356.1 Ų56.123%0.23128%0.275CS..G310 helixtrans-60.7-32-178.153.20000113.4E32 N33 G56 F57E32-S54 WeakPolarHBondContact O-CB 3.37Å; E32-S54 PolarHBondContact O-OG 2.63Å; E32-S54 VanDerWaalsContact O-OG 3.07Å; N33-S54 PolarHBondContact O-N 2.63Å; N33-S54 PolarHBondContact O-OG 3.11Å; S54-G56 VanDerWaalsContact C-N 3.28Å; S54-G56 PolarHBondContact O-N 2.82Å; S54-F57 PolarHBondContact O-N 2.91Å
55D97Very high97Very high124 Ų12455.5 Ų55.566%0.66328%0.276SS*.G310 helixtrans-73.5-15.2178.564.5-17.2000114.2R53R53-D55 WeakPolarHBondContact CB-OD1 3.3Å; R53-D55 IonicContact NE-OD1 2.68Å; R53-D55 PolarHBondContact O-N 3.3Å
56G96.5Very high97.1Very high26 Ų2653.7 Ų53.727%0.26827%0.265SS..G310 helixtrans-84.1-8.6174.300000114.6R53 S54R53-G56 PolarHBondContact O-N 3.19Å; R53-G56 VanDerWaalsContact O-N 3.12Å; S54-G56 VanDerWaalsContact C-N 3.28Å; S54-G56 PolarHBondContact O-N 2.82Å
57F98Very high97Very high16 Ų1657.6 Ų57.67%0.0729%0.292CS..SBendtrans-88.9153.4177.2-68.7-90.9000111.5A4 R5 L6 I35 L52 R53 S54 Y60 L244A4-F57 HydrophobicContact CB-CD1 3.98Å; A4-F57 HydrophobicContact CB-CE1 3.91Å; A4-F57 HydrophobicContact CB-CZ 4.42Å; R5-F57 WeakPolarHBondContact O-CB 3.32Å; L6-F57 HydrophobicContact CD1-CE1 4.24Å; L6-F57 HydrophobicContact CD2-CD1 3.51Å; L6-F57 HydrophobicContact CD2-CE1 3.95Å; L6-F57 HydrophobicContact CD2-CG 4.16Å; L6-F57 HydrophobicContact CG-CD1 3.72Å; L6-F57 HydrophobicContact CG-CE1 3.88Å; I35-F57 HydrophobicContact CD1-CE1 4.26Å; I35-F57 HydrophobicContact CD1-CE2 4.42Å; I35-F57 HydrophobicContact CD1-CZ 3.67Å; I35-F57 HydrophobicContact CG1-CZ 4.19Å; L52-F57 HydrophobicContact CB-CE2 3.96Å; L52-F57 HydrophobicContact CB-CZ 3.87Å; L52-F57 HydrophobicContact CD1-CZ 4.13Å; R53-F57 WeakPolarHBondContact O-CD2 3.25Å; R53-F57 WeakPolarHBondContact O-CE2 3.33Å; S54-F57 PolarHBondContact O-N 2.91Å; F57-Y60 HydrophobicContact CB-CD2 4.37Å; F57-Y60 AromaticContact CD2-CD2 3.5Å; F57-Y60 HydrophobicContact CD2-CD2 3.5Å; F57-Y60 VanDerWaalsContact CD2-CD2 3.5Å; F57-Y60 HydrophobicContact CD2-CE2 4.15Å; F57-Y60 HydrophobicContact CD2-CG 4.29Å; F57-Y60 AromaticContact CE2-CD2 3.82Å; F57-Y60 HydrophobicContact CE2-CD2 3.82Å; F57-Y60 AromaticContact CE2-CE2 3.99Å; F57-Y60 HydrophobicContact CE2-CE2 3.99Å; F57-Y60 AromaticContact CG-CD2 3.89Å; F57-Y60 HydrophobicContact CG-CD2 3.89Å; F57-Y60 HydrophobicContact CZ-CD2 4.47Å; F57-L244 HydrophobicContact CD1-CD1 4.47Å; F57-L244 HydrophobicContact CD2-CD1 3.75Å; F57-L244 HydrophobicContact CE1-CD1 4.36Å; F57-L244 HydrophobicContact CE2-CD1 3.64Å; F57-L244 HydrophobicContact CG-CD1 4.18Å; F57-L244 HydrophobicContact CZ-CD1 3.95Å
58E97.1Very high97Very high111 Ų11157 Ų5752%0.51929%0.289SS..SBendtrans-65.1-43.8172.5-179.1177.7-150.700110.9R5 T7R5-E58 HydrophobicContact CB-CB 4.49Å; R5-E58 WeakPolarHBondContact CD-OE2 3.5Å; R5-E58 HydrophobicContact CG-CB 4.32Å; R5-E58 IonicContact CZ-OE2 2.67Å; R5-E58 IonicContact NE-OE2 2.75Å; R5-E58 PolarHBondContact NE-OE2 2.85Å; R5-E58 PolarHBondContact O-N 2.91Å; T7-E58 HydrophobicContact CG2-CB 4.24Å; T7-E58 HydrophobicContact CG2-CG 4.41Å
59T97.6Very high97Very high60 Ų6057.1 Ų57.137%0.36829%0.29SS..EExtended strand (participates in β ladder)trans-137.5139.1167.762.10000109.1A4 R5A4-T59 WeakPolarHBondContact CA-O 3.49Å; R5-T59 WeakPolarHBondContact CB-OG1 3.33Å; R5-T59 PolarHBondContact N-O 2.97Å
60Y98.4Very high96.9Very high43 Ų4356.4 Ų56.417%0.16929%0.285CS..EExtended strand (participates in β ladder)trans-141.5131.3176.4-168.1-86.9000110.3F2 E3 A4 T31 G34 I35 F57 C62F2-Y60 AromaticContact CE2-CE2 3.85Å; F2-Y60 HydrophobicContact CE2-CE2 3.85Å; F2-Y60 AromaticContact CE2-CZ 3.92Å; E3-Y60 CarbonylContact O-C 3.6Å; E3-Y60 WeakPolarHBondContact O-CA 3.49Å; A4-Y60 HydrophobicContact CB-CD2 3.69Å; A4-Y60 HydrophobicContact CB-CE2 3.83Å; T31-Y60 WeakPolarHBondContact O-CE1 3.46Å; T31-Y60 PolarHBondContact O-OH 2.84Å; G34-Y60 VanDerWaalsContact C-OH 3.22Å; G34-Y60 PolarHBondContact O-OH 2.89Å; I35-Y60 HydrophobicContact CD1-CE2 4.32Å; I35-Y60 HydrophobicContact CG1-CE2 3.89Å; F57-Y60 HydrophobicContact CB-CD2 4.37Å; F57-Y60 AromaticContact CD2-CD2 3.5Å; F57-Y60 HydrophobicContact CD2-CD2 3.5Å; F57-Y60 VanDerWaalsContact CD2-CD2 3.5Å; F57-Y60 HydrophobicContact CD2-CE2 4.15Å; F57-Y60 HydrophobicContact CD2-CG 4.29Å; F57-Y60 AromaticContact CE2-CD2 3.82Å; F57-Y60 HydrophobicContact CE2-CD2 3.82Å; F57-Y60 AromaticContact CE2-CE2 3.99Å; F57-Y60 HydrophobicContact CE2-CE2 3.99Å; F57-Y60 AromaticContact CG-CD2 3.89Å; F57-Y60 HydrophobicContact CG-CD2 3.89Å; F57-Y60 HydrophobicContact CZ-CD2 4.47Å; Y60-C62 HydrophobicContact CE1-CB 3.73Å
61R98Very high96.8Very high134 Ų13458.3 Ų58.351%0.50630%0.295SS..EExtended strand (participates in β ladder)trans-146.3127.3174.3-178.8178.9175.3-171.3-4.9109.4F2 E3 D63F2-R61 CarbonylContact C-O 3.56Å; F2-R61 VanDerWaalsContact CA-O 3.3Å; F2-R61 WeakPolarHBondContact CA-O 3.26Å; E3-R61 PolarHBondContact N-O 3.38Å; E3-R61 PolarHBondContact O-N 2.89Å; R61-D63 IonicContact CZ-OD1 3.12Å; R61-D63 IonicContact CZ-OD2 3.34Å; R61-D63 IonicContact NE-OD1 2.74Å; R61-D63 PolarHBondContact NE-OD1 3.27Å; R61-D63 IonicContact NE-OD2 2.75Å; R61-D63 PolarHBondContact NE-OD2 2.8Å; R61-D63 IonicContact NH2-OD1 3.05Å; R61-D63 PolarHBondContact NH2-OD1 2.98Å; R61-D63 IonicContact NH2-OD2 2.9Å; R61-D63 PolarHBondContact NH2-OD2 2.81Å
62C97.8Very high96.8Very high16 Ų1655.8 Ų55.811%0.10828%0.282CS..EExtended strand (participates in β ladder)trans-138.497172.7-166.60000108.3F2 C30 T31 Y60 R64F2-C62 HydrophobicContact CD2-CB 4.2Å; C30-C62 VanDerWaalsContact C-SG 3.54Å; C30-C62 PolarHBondContact O-SG 3.03Å; C30-C62 VanDerWaalsContact O-SG 3.42Å; T31-C62 WeakPolarHBondContact O-CB 3.27Å; Y60-C62 HydrophobicContact CE1-CB 3.73Å; C62-R64 VanDerWaalsContact C-N 3.26Å; C62-R64 PolarHBondContact O-N 3.15Å; C62-R64 PolarHBondContact SG-O 2.8Å
63D95.9Very high96.7Very high80 Ų8059 Ų5943%0.42830%0.301SS..SBendtrans-72.3-22.4-175.7-59.1-39.4000113M1 R61M1-D63 WeakPolarHBondContact CB-OD2 3.43Å; M1-D63 PolarHBondContact N-OD2 2.94Å; M1-D63 PolarHBondContact O-N 3.18Å; R61-D63 IonicContact CZ-OD1 3.12Å; R61-D63 IonicContact CZ-OD2 3.34Å; R61-D63 IonicContact NE-OD1 2.74Å; R61-D63 PolarHBondContact NE-OD1 3.27Å; R61-D63 IonicContact NE-OD2 2.75Å; R61-D63 PolarHBondContact NE-OD2 2.8Å; R61-D63 IonicContact NH2-OD1 3.05Å; R61-D63 PolarHBondContact NH2-OD1 2.98Å; R61-D63 IonicContact NH2-OD2 2.9Å; R61-D63 PolarHBondContact NH2-OD2 2.81Å
64R94.8Very high96.6Very high160 Ų16057.1 Ų57.160%0.60430%0.302SS*.SBendtrans-148.5145.7-178.8-65.8-174179.2-168.70.3108.4C62 L66 D94C62-R64 VanDerWaalsContact C-N 3.26Å; C62-R64 PolarHBondContact O-N 3.15Å; C62-R64 PolarHBondContact SG-O 2.8Å; R64-L66 PolarHBondContact O-N 3.05Å; R64-D94 IonicContact NE-OD2 3.96Å
65N95.3Very high96.5Very high124 Ų12455.6 Ų55.666%0.66329%0.291SS*.  trans-59.8129.7173.9-63.9-0.7000109.8C30 T31C30-N65 VanDerWaalsContact O-CA 3.29Å; C30-N65 WeakPolarHBondContact O-CA 3.25Å; T31-N65 HydrophobicContact CG2-CB 4.46Å
66L95Very high96.5Very high17 Ų1750.3 Ų50.39%0.08926%0.264CS..EExtended strand (participates in β ladder)trans-126.7138.5178-63.9179.1000109.7F2 D29 C30 R64 L68 A92 G93F2-L66 HydrophobicContact CB-CD1 3.5Å; F2-L66 HydrophobicContact CG-CD1 4.39Å; D29-L66 CarbonylContact C-O 3.59Å; D29-L66 WeakPolarHBondContact CA-O 3.5Å; C30-L66 HydrophobicContact CB-CB 4.39Å; C30-L66 PolarHBondContact N-O 3.32Å; C30-L66 PolarHBondContact O-N 2.8Å; R64-L66 PolarHBondContact O-N 3.05Å; L66-L68 HydrophobicContact CB-CD2 4.03Å; L66-L68 HydrophobicContact CB-CG 4.3Å; L66-L68 HydrophobicContact CD1-CD2 4.35Å; L66-A92 HydrophobicContact CD1-CB 4.18Å; L66-G93 WeakPolarHBondContact CD1-O 3.44Å
67S94.5Very high96.5Very high85 Ų8555.5 Ų55.559%0.59428%0.279SS*.EExtended strand (participates in β ladder)trans-110.3110.5169.6-66.30000107.6D29D29-S67 WeakPolarHBondContact OD1-CB 3.38Å; D29-S67 PolarHBondContact OD1-OG 2.98Å
68L96.1Very high96.5Very high3 Ų356.1 Ų56.12%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-106.296.7-174.4-52.3177.4000109.2F2 T27 L28 L66 L70 A92 A96 L99 L118F2-L68 HydrophobicContact CD1-CD1 4Å; F2-L68 HydrophobicContact CE1-CD1 4.03Å; T27-L68 WeakPolarHBondContact CA-O 3.44Å; L28-L68 HydrophobicContact CB-CB 4.29Å; L28-L68 PolarHBondContact N-O 3.09Å; L28-L68 PolarHBondContact O-N 2.86Å; L66-L68 HydrophobicContact CB-CD2 4.03Å; L66-L68 HydrophobicContact CB-CG 4.3Å; L66-L68 HydrophobicContact CD1-CD2 4.35Å; L68-L70 PolarHBondContact O-N 3.07Å; L68-A92 HydrophobicContact CD1-CB 4.08Å; L68-A92 HydrophobicContact CD2-CB 4.03Å; L68-A96 HydrophobicContact CD2-CB 4.21Å; L68-L99 HydrophobicContact CD1-CD1 4.13Å; L68-L118 HydrophobicContact CB-CD1 4.44Å; L68-L118 HydrophobicContact CB-CD2 3.95Å; L68-L118 HydrophobicContact CD2-CD1 3.7Å
69G96.5Very high96.4Very high3 Ų351 Ų513%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-71.7123.6178.300000112L118 M119G69-L118 CarbonylContact O-C 3.56Å; G69-L118 WeakPolarHBondContact O-CA 3.17Å; G69-L118 WeakPolarHBondContact O-CD2 3.23Å; G69-M119 WeakPolarHBondContact CA-O 3.47Å; G69-M119 PolarHBondContact O-N 3.35Å
70L96.3Very high96.4Very high4 Ų455.7 Ų55.72%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-120.7136.2-174-61.7-173000112E25 A26 L28 L68 I72 L99 I116 L118E25-L70 VanDerWaalsContact CA-O 3.26Å; E25-L70 WeakPolarHBondContact CA-O 3.49Å; A26-L70 PolarHBondContact N-O 2.9Å; A26-L70 VanDerWaalsContact N-O 3.07Å; A26-L70 PolarHBondContact O-N 2.83Å; L28-L70 HydrophobicContact CD1-CD1 3.52Å; L28-L70 HydrophobicContact CG-CD1 3.72Å; L28-L70 HydrophobicContact CG-CG 4.41Å; L68-L70 PolarHBondContact O-N 3.07Å; L70-I72 HydrophobicContact CB-CD1 4.27Å; L70-I72 PolarHBondContact O-N 3.42Å; L70-L99 HydrophobicContact CD1-CD2 4.29Å; L70-L99 HydrophobicContact CD2-CD2 3.89Å; L70-I116 HydrophobicContact CD2-CD1 3.68Å; L70-I116 HydrophobicContact CD2-CG1 4.45Å; L70-L118 HydrophobicContact CD2-CD2 3.51Å
71N96.4Very high96.2Very high42 Ų4256.6 Ų56.623%0.22528%0.282CS..EExtended strand (participates in β ladder)trans-77.1113155.9-177.5-88.9000109.3T73 S74 A75 M119N71-T73 VanDerWaalsContact C-N 3.31Å; N71-T73 PolarHBondContact O-N 2.89Å; N71-T73 PolarHBondContact OD1-N 3.08Å; N71-S74 WeakPolarHBondContact O-CB 3.46Å; N71-S74 PolarHBondContact O-N 3.45Å; N71-S74 VanDerWaalsContact O-N 3.09Å; N71-S74 WeakPolarHBondContact OD1-CB 3.27Å; N71-S74 PolarHBondContact OD1-N 3.31Å; N71-S74 PolarHBondContact OD1-OG 2.74Å; N71-A75 PolarHBondContact O-N 3.32Å; N71-M119 HydrophobicContact CB-SD 3.8Å
72I96.6Very high96Very high1 Ų150.6 Ų50.61%0.00526%0.261CS..Hα-helixtrans-64.5-35.8-171.7-59-51.5000112.1I16 I19 K20 V23 Q24 A26 L70 A75 S76I16-I72 HydrophobicContact CG2-CG2 4.02Å; I19-I72 HydrophobicContact CD1-CD1 3.83Å; I19-I72 HydrophobicContact CD1-CG1 4.37Å; I19-I72 HydrophobicContact CD1-CG2 4.16Å; I19-I72 HydrophobicContact CG1-CG2 3.91Å; K20-I72 HydrophobicContact CB-CG2 3.77Å; V23-I72 HydrophobicContact CG2-CG1 4.42Å; Q24-I72 WeakPolarHBondContact O-CB 3.34Å; Q24-I72 PolarHBondContact O-N 2.57Å; A26-I72 HydrophobicContact CB-CD1 3.98Å; A26-I72 HydrophobicContact CB-CG1 4.41Å; L70-I72 HydrophobicContact CB-CD1 4.27Å; L70-I72 PolarHBondContact O-N 3.42Å; I72-A75 PolarHBondContact O-N 2.97Å; I72-S76 WeakPolarHBondContact O-CB 3.4Å; I72-S76 PolarHBondContact O-N 2.81Å
73T95.9Very high95.9Very high68 Ų6852.4 Ų52.442%0.41727%0.274SS..Hα-helixtrans-65.4-40.4175.6-66.30000111.6N71 S76 K77N71-T73 VanDerWaalsContact C-N 3.31Å; N71-T73 PolarHBondContact O-N 2.89Å; N71-T73 PolarHBondContact OD1-N 3.08Å; T73-S76 PolarHBondContact O-N 2.81Å; T73-K77 WeakPolarHBondContact O-CG 3.43Å; T73-K77 PolarHBondContact O-N 3.46Å; T73-K77 VanDerWaalsContact O-N 3.08Å
74S96.4Very high95.7Very high49 Ų4949.4 Ų49.434%0.34326%0.262SS..Hα-helixtrans-66.5-44.5176.6-610000111.5N71 S76 K77 I78N71-S74 WeakPolarHBondContact O-CB 3.46Å; N71-S74 PolarHBondContact O-N 3.45Å; N71-S74 VanDerWaalsContact O-N 3.09Å; N71-S74 WeakPolarHBondContact OD1-CB 3.27Å; N71-S74 PolarHBondContact OD1-N 3.31Å; N71-S74 PolarHBondContact OD1-OG 2.74Å; S74-S76 VanDerWaalsContact C-N 3.34Å; S74-S76 PolarHBondContact O-N 2.75Å; S74-K77 WeakPolarHBondContact O-CB 3.33Å; S74-K77 PolarHBondContact O-N 3.18Å; S74-I78 PolarHBondContact O-N 3.46Å; S74-I78 VanDerWaalsContact O-N 3.13Å
75A96.8Very high95.7Very high1 Ų146.4 Ų46.41%0.00826%0.258CS..Hα-helixtrans-58.8-44.3173.700000111.8N71 I72 K77 I78 L79 I116N71-A75 PolarHBondContact O-N 3.32Å; I72-A75 PolarHBondContact O-N 2.97Å; A75-K77 VanDerWaalsContact C-N 3.31Å; A75-K77 PolarHBondContact O-N 3.14Å; A75-I78 PolarHBondContact O-N 3.42Å; A75-L79 WeakPolarHBondContact O-CG 3.4Å; A75-L79 PolarHBondContact O-N 3.27Å; A75-I116 HydrophobicContact CB-CD1 4.37Å
76S96.7Very high95.8Very high13 Ų1340.9 Ų40.99%0.09123%0.229CC..Hα-helixtrans-58.4-40.6175.7-1740000112.3I72 T73 S74 L79 R80I72-S76 WeakPolarHBondContact O-CB 3.4Å; I72-S76 PolarHBondContact O-N 2.81Å; T73-S76 PolarHBondContact O-N 2.81Å; S74-S76 VanDerWaalsContact C-N 3.34Å; S74-S76 PolarHBondContact O-N 2.75Å; S76-L79 PolarHBondContact O-N 3.45Å; S76-R80 WeakPolarHBondContact O-CG 3.46Å; S76-R80 PolarHBondContact O-N 3.43Å; S76-R80 VanDerWaalsContact O-N 3.15Å
77K96.7Very high95.9Very high135 Ų13540.6 Ų40.659%0.58723%0.229SC*.Hα-helixtrans-64-43.3177.1-73.2172.2-177.2173.20112.3T73 S74 A75 R80T73-K77 WeakPolarHBondContact O-CG 3.43Å; T73-K77 PolarHBondContact O-N 3.46Å; T73-K77 VanDerWaalsContact O-N 3.08Å; S74-K77 WeakPolarHBondContact O-CB 3.33Å; S74-K77 PolarHBondContact O-N 3.18Å; A75-K77 VanDerWaalsContact C-N 3.31Å; A75-K77 PolarHBondContact O-N 3.14Å; K77-R80 WeakPolarHBondContact O-CB 3.48Å; K77-R80 PolarHBondContact O-N 2.66Å
78I96.9Very high96.1Very high30 Ų3036.6 Ų36.615%0.15420%0.201CC..Hα-helixtrans-65.8-43.4177.2-66.1-50.3000111.4S74 A75 R80 C81 F101 F103 F114 I116S74-I78 PolarHBondContact O-N 3.46Å; S74-I78 VanDerWaalsContact O-N 3.13Å; A75-I78 PolarHBondContact O-N 3.42Å; I78-R80 PolarHBondContact O-N 2.93Å; I78-C81 VanDerWaalsContact O-CB 3.23Å; I78-C81 WeakPolarHBondContact O-CB 3.34Å; I78-C81 PolarHBondContact O-N 3.41Å; I78-F101 HydrophobicContact CG2-CB 4.01Å; I78-F101 HydrophobicContact CG2-CD1 4.22Å; I78-F101 HydrophobicContact CG2-CD2 3.9Å; I78-F101 HydrophobicContact CG2-CE2 4.47Å; I78-F101 HydrophobicContact CG2-CG 3.77Å; I78-F103 HydrophobicContact CG2-CE2 4.19Å; I78-F103 HydrophobicContact CG2-CZ 4.1Å; I78-F114 HydrophobicContact CD1-CB 4.24Å; I78-F114 HydrophobicContact CD1-CD1 4.31Å; I78-F114 HydrophobicContact CD1-CG 4.49Å; I78-F114 HydrophobicContact CG2-CB 3.68Å; I78-F114 HydrophobicContact CG2-CG 4.2Å; I78-I116 HydrophobicContact CB-CG2 4.37Å; I78-I116 HydrophobicContact CD1-CG2 4.26Å; I78-I116 HydrophobicContact CG1-CG2 3.36Å
79L96.7Very high96.2Very high3 Ų336.7 Ų36.72%0.01620%0.201CC..Hα-helixtrans-61.3-30177.9-71.1171.4000112.4W12 K13 I16 A75 S76 C81 A82 I88 F101 F103W12-L79 HydrophobicContact CB-CD1 4.18Å; W12-L79 HydrophobicContact CB-CD2 3.91Å; K13-L79 WeakPolarHBondContact CE-O 3.37Å; K13-L79 HydrophobicContact CG-CB 3.91Å; I16-L79 HydrophobicContact CB-CD1 3.86Å; I16-L79 HydrophobicContact CG1-CD1 3.43Å; I16-L79 VanDerWaalsContact CG1-CD1 3.43Å; I16-L79 HydrophobicContact CG2-CD1 4.39Å; A75-L79 WeakPolarHBondContact O-CG 3.4Å; A75-L79 PolarHBondContact O-N 3.27Å; S76-L79 PolarHBondContact O-N 3.45Å; L79-C81 PolarHBondContact O-N 2.74Å; L79-A82 PolarHBondContact O-N 3.31Å; L79-I88 HydrophobicContact CD2-CD1 3.57Å; L79-F101 HydrophobicContact CD2-CD1 4.15Å; L79-F101 HydrophobicContact CD2-CE1 4.15Å; L79-F101 HydrophobicContact CG-CE1 4.46Å; L79-F103 HydrophobicContact CD2-CE1 4.26Å; L79-F103 HydrophobicContact CD2-CZ 4.31Å
80R95.9Very high96.3Very high159 Ų15936.6 Ų36.660%0.620%0.2SC*.THydrogen-bonded Turntrans-64.4-16.7173.8-72.8170.1-171.9-82.8-13.1113.9D17 S76 K77 I78 A82D17-R80 IonicContact OD1-NH2 3.91Å; S76-R80 WeakPolarHBondContact O-CG 3.46Å; S76-R80 PolarHBondContact O-N 3.43Å; S76-R80 VanDerWaalsContact O-N 3.15Å; K77-R80 WeakPolarHBondContact O-CB 3.48Å; K77-R80 PolarHBondContact O-N 2.66Å; I78-R80 PolarHBondContact O-N 2.93Å; R80-A82 VanDerWaalsContact C-N 3.32Å
81C94.8Very high96.4Very high62 Ų6240 Ų4042%0.41922%0.215SC..THydrogen-bonded Turntrans-75.6-19.9175.9-60.30000113.2I78 L79 F103 F114I78-C81 VanDerWaalsContact O-CB 3.23Å; I78-C81 WeakPolarHBondContact O-CB 3.34Å; I78-C81 PolarHBondContact O-N 3.41Å; L79-C81 PolarHBondContact O-N 2.74Å; C81-F103 HydrophobicContact CB-CE2 4.36Å; C81-F114 HydrophobicContact CB-CD2 4.42Å; C81-F114 HydrophobicContact CB-CE1 4.34Å; C81-F114 HydrophobicContact CB-CE2 3.71Å; C81-F114 HydrophobicContact CB-CZ 3.67Å
82A94.5Very high96.4Very high8 Ų838.4 Ų38.47%0.06621%0.207CC..SBendtrans-83.3155.8175.600000112A9 K13 L79 R80 F103A9-A82 HydrophobicContact CB-CB 3.94Å; K13-A82 PolarHBondContact NZ-O 3.05Å; L79-A82 PolarHBondContact O-N 3.31Å; R80-A82 VanDerWaalsContact C-N 3.32Å; A82-F103 HydrophobicContact CB-CB 4.3Å; A82-F103 HydrophobicContact CB-CD1 3.62Å; A82-F103 HydrophobicContact CB-CD2 3.87Å; A82-F103 HydrophobicContact CB-CE1 3.78Å; A82-F103 HydrophobicContact CB-CE2 4.02Å; A82-F103 HydrophobicContact CB-CG 3.67Å; A82-F103 HydrophobicContact CB-CZ 3.98Å
83S94.6Very high96.3Very high53 Ų5340.2 Ų40.237%0.37123%0.226SC..  trans-72.1158.7155.8-169.40000110K13 N85 D86K13-S83 VanDerWaalsContact NZ-C 3.34Å; K13-S83 PolarHBondContact NZ-O 3.38Å; S83-N85 PolarHBondContact O-N 3.49Å; S83-D86 VanDerWaalsContact CB-CG 3.45Å; S83-D86 VanDerWaalsContact CB-OD1 3.27Å; S83-D86 WeakPolarHBondContact CB-OD1 3.4Å; S83-D86 WeakPolarHBondContact CB-OD2 3.32Å; S83-D86 PolarHBondContact N-OD2 3.21Å; S83-D86 PolarHBondContact O-N 3.25Å
84G91.6Very high95.9Very high18 Ų1840.4 Ų40.419%0.18622%0.224CC..THydrogen-bonded Turntrans-64.1-31.6174.200000113A9 D10A9-G84 PolarHBondContact N-O 2.93Å; D10-G84 WeakPolarHBondContact CB-O 3.49Å; D10-G84 PolarHBondContact N-O 3.23Å; D10-G84 VanDerWaalsContact N-O 3.14Å
85N94.8Very high95.4Very high97 Ų9747.4 Ų47.452%0.51925%0.248SC..THydrogen-bonded Turntrans-913.1-178.3-66.2-31.1000114.1Q8 S83Q8-N85 PolarHBondContact NE2-OD1 2.92Å; S83-N85 PolarHBondContact O-N 3.49Å
86D97.4Very high94.9Very high8 Ų848.7 Ų48.74%0.04326%0.259CS..SBendtrans-73.8144.8174.6-68.4-8.8000108.8Q8 A9 S83 E104 S105 R110Q8-D86 CarbonylContact C-O 3.48Å; Q8-D86 WeakPolarHBondContact CA-O 3.5Å; A9-D86 WeakPolarHBondContact CB-O 2.82Å; A9-D86 PolarHBondContact N-O 3.2Å; S83-D86 VanDerWaalsContact CB-CG 3.45Å; S83-D86 VanDerWaalsContact CB-OD1 3.27Å; S83-D86 WeakPolarHBondContact CB-OD1 3.4Å; S83-D86 WeakPolarHBondContact CB-OD2 3.32Å; S83-D86 PolarHBondContact N-OD2 3.21Å; S83-D86 PolarHBondContact O-N 3.25Å; D86-E104 CarbonylContact C-O 3.58Å; D86-E104 VanDerWaalsContact CA-O 3.27Å; D86-E104 WeakPolarHBondContact CA-O 2.89Å; D86-E104 WeakPolarHBondContact CB-O 3.16Å; D86-S105 WeakPolarHBondContact OD1-CA 3.47Å; D86-R110 IonicContact OD1-NH2 2.82Å; D86-R110 IonicContact OD2-CZ 2.58Å; D86-R110 IonicContact OD2-NH2 3.95Å; D86-R110 PolarHBondContact OD2-NH2 3.09Å
87A97.9Very high94.8Very high11 Ų1154.6 Ų54.69%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-69.7149.2164.800000109.4R5 L6 T7 F103 E104R5-A87 VanDerWaalsContact NH2-CB 3.29Å; L6-A87 WeakPolarHBondContact O-CA 3.23Å; T7-A87 WeakPolarHBondContact O-CA 3.14Å; A87-F103 VanDerWaalsContact O-CA 3.3Å; A87-F103 WeakPolarHBondContact O-CA 3.19Å; A87-E104 HydrophobicContact CB-CB 4.46Å; A87-E104 PolarHBondContact N-O 3.45Å; A87-E104 PolarHBondContact O-N 2.91Å
88I98.2Very high94.8Very high1 Ų150.4 Ų50.41%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-127.3133.4178.6-178.4177.7000109.5R5 L6 A9 W12 L79 L90 F101 V102 F103R5-I88 CarbonylContact C-O 3.6Å; R5-I88 VanDerWaalsContact CA-O 3.27Å; R5-I88 WeakPolarHBondContact CA-O 3.39Å; L6-I88 HydrophobicContact CB-CG2 3.86Å; L6-I88 PolarHBondContact N-O 2.81Å; L6-I88 PolarHBondContact O-N 3.15Å; A9-I88 HydrophobicContact CB-CB 3.99Å; A9-I88 HydrophobicContact CB-CG2 4.17Å; W12-I88 HydrophobicContact CB-CD1 4.08Å; W12-I88 HydrophobicContact CG-CD1 4.02Å; L79-I88 HydrophobicContact CD2-CD1 3.57Å; I88-L90 HydrophobicContact CD1-CD2 3.99Å; I88-L90 HydrophobicContact CG1-CD2 4.23Å; I88-F101 HydrophobicContact CD1-CD1 4.16Å; I88-V102 CarbonylContact C-O 3.53Å; I88-V102 VanDerWaalsContact CA-O 3.31Å; I88-V102 WeakPolarHBondContact CA-O 3.46Å; I88-F103 HydrophobicContact CB-CD1 4.09Å; I88-F103 HydrophobicContact CB-CE1 4.25Å; I88-F103 HydrophobicContact CD1-CD1 4.33Å; I88-F103 HydrophobicContact CD1-CE1 3.63Å; I88-F103 HydrophobicContact CG1-CD1 3.88Å; I88-F103 HydrophobicContact CG1-CE1 3.65Å
89T98.4Very high94.9Very high4 Ų449 Ų493%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-122.9124.2169.2-48.50000109.6E3 A4 R5 K91 V102E3-T89 HydrophobicContact CG-CG2 3.5Å; A4-T89 CarbonylContact O-C 3.53Å; A4-T89 WeakPolarHBondContact O-CA 3.48Å; R5-T89 HydrophobicContact CB-CG2 4.33Å; R5-T89 PolarHBondContact NH1-OG1 3.46Å; T89-K91 HydrophobicContact CG2-CD 4.44Å; T89-K91 HydrophobicContact CG2-CG 3.97Å; T89-V102 PolarHBondContact N-O 2.78Å; T89-V102 PolarHBondContact O-N 2.82Å
90L98.3Very high94.9Very high1 Ų149.5 Ų49.51%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-90.2132.9169.9-59.2-170.9000109.1F2 E3 A4 W12 I88 L99 T100 F101F2-L90 HydrophobicContact CE1-CB 4.03Å; F2-L90 HydrophobicContact CZ-CB 4.49Å; E3-L90 CarbonylContact C-O 3.56Å; E3-L90 VanDerWaalsContact CA-O 3.26Å; E3-L90 WeakPolarHBondContact CA-O 3.29Å; A4-L90 PolarHBondContact N-O 3.4Å; A4-L90 PolarHBondContact O-N 3.42Å; W12-L90 HydrophobicContact CD2-CD1 4.36Å; W12-L90 HydrophobicContact CH2-CD1 3.92Å; W12-L90 HydrophobicContact CZ2-CD1 3.37Å; I88-L90 HydrophobicContact CD1-CD2 3.99Å; I88-L90 HydrophobicContact CG1-CD2 4.23Å; L90-L99 HydrophobicContact CB-CD1 4.19Å; L90-T100 CarbonylContact C-O 3.53Å; L90-T100 WeakPolarHBondContact CA-O 3.42Å; L90-F101 HydrophobicContact CD2-CD1 3.35Å; L90-F101 HydrophobicContact CD2-CE1 3.39Å; L90-F101 HydrophobicContact CD2-CG 4.06Å; L90-F101 HydrophobicContact CD2-CZ 4.12Å
91K98.1Very high95Very high77 Ų7742.2 Ų42.234%0.33524%0.244SC..EExtended strand (participates in β ladder)trans-134.6135.8179.2-59.1-176.9179.9-173.60111.9F2 E3 T89 L99 T100 V102F2-K91 WeakPolarHBondContact O-CA 3.46Å; E3-K91 HydrophobicContact CG-CG 4.17Å; E3-K91 WeakPolarHBondContact OE2-CE 3.46Å; E3-K91 IonicContact OE2-NZ 2.66Å; T89-K91 HydrophobicContact CG2-CD 4.44Å; T89-K91 HydrophobicContact CG2-CG 3.97Å; K91-L99 WeakPolarHBondContact O-CD1 3.49Å; K91-T100 PolarHBondContact N-O 3.15Å; K91-T100 PolarHBondContact O-N 3.47Å; K91-V102 HydrophobicContact CD-CG2 4.33Å
92A97.9Very high95.2Very high8 Ų840 Ų407%0.06623%0.228CC..EExtended strand (participates in β ladder)trans-144.5144.3173.300000111.4F2 L66 L68 A96 L99F2-A92 HydrophobicContact CB-CB 4.3Å; F2-A92 HydrophobicContact CD1-CB 3.96Å; F2-A92 PolarHBondContact N-O 2.9Å; F2-A92 PolarHBondContact O-N 2.75Å; L66-A92 HydrophobicContact CD1-CB 4.18Å; L68-A92 HydrophobicContact CD1-CB 4.08Å; L68-A92 HydrophobicContact CD2-CB 4.03Å; A92-A96 HydrophobicContact CB-CB 3.86Å; A92-L99 HydrophobicContact CB-CD1 4.31Å
93G94.9Very high95.3Very high38 Ų3839.7 Ų39.739%0.39223%0.226SC..  trans-76172.6171.900000112.8L66 K95 A96L66-G93 WeakPolarHBondContact CD1-O 3.44Å; G93-K95 PolarHBondContact O-N 3.35Å; G93-A96 WeakPolarHBondContact O-CB 3.45Å
94D87.3Confident95.5Very high72 Ų7240.4 Ų40.439%0.38522%0.223SC..THydrogen-bonded Turntrans-67.2-21.3-180-69.6-12000114M1 R64M1-D94 WeakPolarHBondContact CA-OD1 3.49Å; M1-D94 PolarHBondContact N-OD1 3.05Å; R64-D94 IonicContact NE-OD2 3.96Å
95K85.4Confident95.7Very high197 Ų19740 Ų4086%0.85722%0.218SC*.THydrogen-bonded Turntrans-131.967.6174.3-66.5-175.2178-173.70107.4G93 D97G93-K95 PolarHBondContact O-N 3.35Å; K95-D97 PolarHBondContact O-N 3.23Å
96A86.2Confident95.6Very high27 Ų2744.2 Ų44.222%0.22323%0.231CC..  trans-76.8123.4-171.300000111.1L68 A92 G93 L118L68-A96 HydrophobicContact CD2-CB 4.21Å; A92-A96 HydrophobicContact CB-CB 3.86Å; G93-A96 WeakPolarHBondContact O-CB 3.45Å; A96-L118 HydrophobicContact CB-CD1 3.59Å; A96-L118 WeakPolarHBondContact O-CD1 3.27Å
97D94.3Very high95.4Very high138 Ų13847.9 Ų47.974%0.73826%0.257SS*.SBendtrans-92.2-12162.9-62-39.9000111.2K95 L118K95-D97 PolarHBondContact O-N 3.23Å; D97-L118 PolarHBondContact O-N 2.97Å
98T96.8Very high95Very high46 Ų4655.9 Ų55.928%0.28229%0.293SS..EExtended strand (participates in β ladder)trans-139150.5-17858.40000111.9I116T98-I116 CarbonylContact C-O 3.54Å; T98-I116 WeakPolarHBondContact CA-O 3.49Å; T98-I116 WeakPolarHBondContact CB-O 3.4Å
99L98Very high94.7Very high0 Ų062 Ų620%033%0.326CS..EExtended strand (participates in β ladder)trans-109.3126.5165.6174.962.5000108.6L68 L70 L90 K91 A92 F101 E115 I116 L118L68-L99 HydrophobicContact CD1-CD1 4.13Å; L70-L99 HydrophobicContact CD1-CD2 4.29Å; L70-L99 HydrophobicContact CD2-CD2 3.89Å; L90-L99 HydrophobicContact CB-CD1 4.19Å; K91-L99 WeakPolarHBondContact O-CD1 3.49Å; A92-L99 HydrophobicContact CB-CD1 4.31Å; L99-F101 HydrophobicContact CB-CE2 4.29Å; L99-F101 HydrophobicContact CD2-CE2 3.8Å; L99-F101 HydrophobicContact CD2-CZ 3.64Å; L99-F101 HydrophobicContact CG-CD2 4.4Å; L99-F101 HydrophobicContact CG-CE2 3.72Å; L99-F101 HydrophobicContact CG-CZ 4.06Å; L99-E115 WeakPolarHBondContact O-CA 3.15Å; L99-I116 HydrophobicContact CB-CD1 4.49Å; L99-I116 HydrophobicContact CB-CG1 4.06Å; L99-I116 HydrophobicContact CD2-CD1 4.48Å; L99-I116 PolarHBondContact N-O 3.43Å; L99-I116 PolarHBondContact O-N 2.95Å; L99-L118 HydrophobicContact CB-CD2 3.84Å; L99-L118 HydrophobicContact CB-CG 4.39Å
100T98Very high94.5Very high15 Ų1567.1 Ų67.19%0.09234%0.344CS..EExtended strand (participates in β ladder)trans-98.7134.4-179.4-54.60000110.4L90 K91 V102 E113 F114 E115L90-T100 CarbonylContact C-O 3.53Å; L90-T100 WeakPolarHBondContact CA-O 3.42Å; K91-T100 PolarHBondContact N-O 3.15Å; K91-T100 PolarHBondContact O-N 3.47Å; T100-V102 HydrophobicContact CG2-CG2 4.23Å; T100-E113 HydrophobicContact CG2-CG 3.55Å; T100-E113 WeakPolarHBondContact CG2-OE1 3.4Å; T100-F114 CarbonylContact C-O 3.55Å; T100-F114 WeakPolarHBondContact CA-O 3.27Å; T100-E115 HydrophobicContact CG2-CG 4.23Å
101F98.2Very high94.4Very high5 Ų571 Ų712%0.02237%0.372CS..EExtended strand (participates in β ladder)trans-113114.3175.9-63.3-105.8000108.3I78 L79 I88 L90 L99 F103 E113 F114 I116I78-F101 HydrophobicContact CG2-CB 4.01Å; I78-F101 HydrophobicContact CG2-CD1 4.22Å; I78-F101 HydrophobicContact CG2-CD2 3.9Å; I78-F101 HydrophobicContact CG2-CE2 4.47Å; I78-F101 HydrophobicContact CG2-CG 3.77Å; L79-F101 HydrophobicContact CD2-CD1 4.15Å; L79-F101 HydrophobicContact CD2-CE1 4.15Å; L79-F101 HydrophobicContact CG-CE1 4.46Å; I88-F101 HydrophobicContact CD1-CD1 4.16Å; L90-F101 HydrophobicContact CD2-CD1 3.35Å; L90-F101 HydrophobicContact CD2-CE1 3.39Å; L90-F101 HydrophobicContact CD2-CG 4.06Å; L90-F101 HydrophobicContact CD2-CZ 4.12Å; L99-F101 HydrophobicContact CB-CE2 4.29Å; L99-F101 HydrophobicContact CD2-CE2 3.8Å; L99-F101 HydrophobicContact CD2-CZ 3.64Å; L99-F101 HydrophobicContact CG-CD2 4.4Å; L99-F101 HydrophobicContact CG-CE2 3.72Å; L99-F101 HydrophobicContact CG-CZ 4.06Å; F101-F103 HydrophobicContact CB-CE1 4.17Å; F101-F103 HydrophobicContact CB-CE2 4.29Å; F101-F103 HydrophobicContact CB-CZ 3.83Å; F101-F103 HydrophobicContact CD1-CE1 4.46Å; F101-F103 HydrophobicContact CD1-CZ 4.26Å; F101-F103 HydrophobicContact CG-CZ 4.41Å; F101-E113 WeakPolarHBondContact O-CA 3.26Å; F101-F114 HydrophobicContact CB-CB 4.48Å; F101-F114 PolarHBondContact N-O 2.93Å; F101-F114 PolarHBondContact O-N 3.21Å; F101-I116 HydrophobicContact CE2-CD1 3.47Å; F101-I116 VanDerWaalsContact CE2-CD1 3.47Å; F101-I116 HydrophobicContact CE2-CG1 3.79Å; F101-I116 HydrophobicContact CE2-CG2 4.29Å; F101-I116 HydrophobicContact CZ-CD1 3.79Å
102V98.2Very high94.4Very high16 Ų1669 Ų6910%0.09737%0.367CS..EExtended strand (participates in β ladder)trans-103.7121.9173.1-174.60000108.2I88 T89 K91 T100 E104 S112 E113I88-V102 CarbonylContact C-O 3.53Å; I88-V102 VanDerWaalsContact CA-O 3.31Å; I88-V102 WeakPolarHBondContact CA-O 3.46Å; T89-V102 PolarHBondContact N-O 2.78Å; T89-V102 PolarHBondContact O-N 2.82Å; K91-V102 HydrophobicContact CD-CG2 4.33Å; T100-V102 HydrophobicContact CG2-CG2 4.23Å; V102-E104 HydrophobicContact CG1-CG 4.33Å; V102-S112 CarbonylContact C-O 3.58Å; V102-S112 WeakPolarHBondContact CA-O 3.47Å; V102-E113 HydrophobicContact CG2-CG 4.29Å
103F98Very high94.4Very high2 Ų274.5 Ų74.51%0.00939%0.392CS..EExtended strand (participates in β ladder)trans-111.3129.6176.6-54.6-52000110.4I78 L79 C81 A82 A87 I88 F101 S111 S112 F114I78-F103 HydrophobicContact CG2-CE2 4.19Å; I78-F103 HydrophobicContact CG2-CZ 4.1Å; L79-F103 HydrophobicContact CD2-CE1 4.26Å; L79-F103 HydrophobicContact CD2-CZ 4.31Å; C81-F103 HydrophobicContact CB-CE2 4.36Å; A82-F103 HydrophobicContact CB-CB 4.3Å; A82-F103 HydrophobicContact CB-CD1 3.62Å; A82-F103 HydrophobicContact CB-CD2 3.87Å; A82-F103 HydrophobicContact CB-CE1 3.78Å; A82-F103 HydrophobicContact CB-CE2 4.02Å; A82-F103 HydrophobicContact CB-CG 3.67Å; A82-F103 HydrophobicContact CB-CZ 3.98Å; A87-F103 VanDerWaalsContact O-CA 3.3Å; A87-F103 WeakPolarHBondContact O-CA 3.19Å; I88-F103 HydrophobicContact CB-CD1 4.09Å; I88-F103 HydrophobicContact CB-CE1 4.25Å; I88-F103 HydrophobicContact CD1-CD1 4.33Å; I88-F103 HydrophobicContact CD1-CE1 3.63Å; I88-F103 HydrophobicContact CG1-CD1 3.88Å; I88-F103 HydrophobicContact CG1-CE1 3.65Å; F101-F103 HydrophobicContact CB-CE1 4.17Å; F101-F103 HydrophobicContact CB-CE2 4.29Å; F101-F103 HydrophobicContact CB-CZ 3.83Å; F101-F103 HydrophobicContact CD1-CE1 4.46Å; F101-F103 HydrophobicContact CD1-CZ 4.26Å; F101-F103 HydrophobicContact CG-CZ 4.41Å; F103-S111 CarbonylContact O-C 3.51Å; F103-S111 VanDerWaalsContact O-CA 3.32Å; F103-S111 WeakPolarHBondContact O-CA 3.44Å; F103-S112 PolarHBondContact N-O 3.34Å; F103-S112 PolarHBondContact O-N 2.88Å; F103-F114 AromaticContact CD2-CD2 3.7Å; F103-F114 HydrophobicContact CD2-CD2 3.7Å; F103-F114 AromaticContact CD2-CE2 3.8Å; F103-F114 HydrophobicContact CD2-CE2 3.8Å; F103-F114 AromaticContact CE2-CD2 3.54Å; F103-F114 HydrophobicContact CE2-CD2 3.54Å; F103-F114 AromaticContact CE2-CE2 3.91Å; F103-F114 HydrophobicContact CE2-CE2 3.91Å
104E97.9Very high94.5Very high68 Ų6875.8 Ų75.832%0.31839%0.387SS..EExtended strand (participates in β ladder)trans-126.1125.2-179.9-67.3171.8119.600110.3R5 D86 A87 V102R5-E104 IonicContact CZ-OE2 3.45Å; R5-E104 IonicContact NH1-OE2 3.69Å; R5-E104 PolarHBondContact NH1-OE2 3.18Å; R5-E104 IonicContact NH2-OE2 3.4Å; R5-E104 PolarHBondContact NH2-OE2 3.01Å; D86-E104 CarbonylContact C-O 3.58Å; D86-E104 VanDerWaalsContact CA-O 3.27Å; D86-E104 WeakPolarHBondContact CA-O 2.89Å; D86-E104 WeakPolarHBondContact CB-O 3.16Å; A87-E104 HydrophobicContact CB-CB 4.46Å; A87-E104 PolarHBondContact N-O 3.45Å; A87-E104 PolarHBondContact O-N 2.91Å; V102-E104 HydrophobicContact CG1-CG 4.33Å
105S96.3Very high94.9Very high10 Ų1078 Ų787%0.0740%0.395CS..  trans-65.3150.1177.966.30000111.2D86 S107 Q108 D109 R110D86-S105 WeakPolarHBondContact OD1-CA 3.47Å; S105-S107 PolarHBondContact O-N 3.08Å; S105-S107 PolarHBondContact OG-OG 3.44Å; S105-Q108 WeakPolarHBondContact O-CA 3.21Å; S105-Q108 PolarHBondContact O-N 2.85Å; S105-Q108 PolarHBondContact OG-N 2.88Å; S105-D109 PolarHBondContact OG-N 3.43Å; S105-D109 PolarHBondContact OG-OD1 3.13Å; S105-R110 PolarHBondContact N-O 3.13Å; S105-R110 PolarHBondContact OG-N 3.13Å; S105-R110 VanDerWaalsContact OG-N 3.11Å; S105-R110 PolarHBondContact OG-O 3.01Å
106K92Very high95.4Very high184 Ų18469.2 Ų69.280%0.836%0.357SS*.THydrogen-bonded Turntrans-59-29.8175.6-169.2172.3-175.41730113.1Q108K106-Q108 VanDerWaalsContact C-N 3.29Å
107S92.2Very high95.9Very high85 Ų8576.5 Ų76.559%0.59438%0.384SS*.THydrogen-bonded Turntrans-78.7-7.3174.334.40000114S105 D109S105-S107 PolarHBondContact O-N 3.08Å; S105-S107 PolarHBondContact OG-OG 3.44Å; S107-D109 WeakPolarHBondContact CB-OD1 3.41Å; S107-D109 PolarHBondContact O-N 3.42Å; S107-D109 VanDerWaalsContact O-N 3.09Å; S107-D109 PolarHBondContact OG-OD1 2.87Å
108Q89.6Confident96.1Very high180 Ų18071.4 Ų71.484%0.84136%0.356SS*.SBendtrans58.614.2-177.2-55.5-179.31.700114.8S105 K106S105-Q108 WeakPolarHBondContact O-CA 3.21Å; S105-Q108 PolarHBondContact O-N 2.85Å; S105-Q108 PolarHBondContact OG-N 2.88Å; K106-Q108 VanDerWaalsContact C-N 3.29Å
109D93.6Very high96Very high129 Ų12972.4 Ų72.469%0.6936%0.358SS*.SBendtrans-86.8-14.2178.166.3-33000112.9S105 S107S105-D109 PolarHBondContact OG-N 3.43Å; S105-D109 PolarHBondContact OG-OD1 3.13Å; S107-D109 WeakPolarHBondContact CB-OD1 3.41Å; S107-D109 PolarHBondContact O-N 3.42Å; S107-D109 VanDerWaalsContact O-N 3.09Å; S107-D109 PolarHBondContact OG-OD1 2.87Å
110R93.8Very high95.6Very high111 Ų11180 Ų8042%0.41940%0.399SS..  trans-134.4123.9-179.9-174.4-177.973.5176.64.2110.5D86 S105D86-R110 IonicContact OD1-NH2 2.82Å; D86-R110 IonicContact OD2-CZ 2.58Å; D86-R110 IonicContact OD2-NH2 3.95Å; D86-R110 PolarHBondContact OD2-NH2 3.09Å; S105-R110 PolarHBondContact N-O 3.13Å; S105-R110 PolarHBondContact OG-N 3.13Å; S105-R110 VanDerWaalsContact OG-N 3.11Å; S105-R110 PolarHBondContact OG-O 3.01Å
111S96.2Very high95.2Very high82 Ų8281.1 Ų81.157%0.57341%0.405SS*.EExtended strand (participates in β ladder)trans-121.9133.6165.3178.60000108.6F103F103-S111 CarbonylContact O-C 3.51Å; F103-S111 VanDerWaalsContact O-CA 3.32Å; F103-S111 WeakPolarHBondContact O-CA 3.44Å
112S97.3Very high94.2Very high35 Ų3589.2 Ų89.225%0.24545%0.448CS..EExtended strand (participates in β ladder)trans-131.3139.5178.8-57.80000109.6V102 F103V102-S112 CarbonylContact C-O 3.58Å; V102-S112 WeakPolarHBondContact CA-O 3.47Å; F103-S112 PolarHBondContact N-O 3.34Å; F103-S112 PolarHBondContact O-N 2.88Å
113E97.5Very high92.9Very high125 Ų12590.9 Ų90.958%0.58446%0.458SS*.EExtended strand (participates in β ladder)trans-123.7131.2178.8-173.5169.1-169.300109.4T100 F101 V102T100-E113 HydrophobicContact CG2-CG 3.55Å; T100-E113 WeakPolarHBondContact CG2-OE1 3.4Å; F101-E113 WeakPolarHBondContact O-CA 3.26Å; V102-E113 HydrophobicContact CG2-CG 4.29Å
114F97.6Very high91.6Very high64 Ų6497.8 Ų97.828%0.28150%0.495SS..EExtended strand (participates in β ladder)trans-131.8143.7178.1-63.9-86.3000109.7I78 C81 T100 F101 F103I78-F114 HydrophobicContact CD1-CB 4.24Å; I78-F114 HydrophobicContact CD1-CD1 4.31Å; I78-F114 HydrophobicContact CD1-CG 4.49Å; I78-F114 HydrophobicContact CG2-CB 3.68Å; I78-F114 HydrophobicContact CG2-CG 4.2Å; C81-F114 HydrophobicContact CB-CD2 4.42Å; C81-F114 HydrophobicContact CB-CE1 4.34Å; C81-F114 HydrophobicContact CB-CE2 3.71Å; C81-F114 HydrophobicContact CB-CZ 3.67Å; T100-F114 CarbonylContact C-O 3.55Å; T100-F114 WeakPolarHBondContact CA-O 3.27Å; F101-F114 HydrophobicContact CB-CB 4.48Å; F101-F114 PolarHBondContact N-O 2.93Å; F101-F114 PolarHBondContact O-N 3.21Å; F103-F114 AromaticContact CD2-CD2 3.7Å; F103-F114 HydrophobicContact CD2-CD2 3.7Å; F103-F114 AromaticContact CD2-CE2 3.8Å; F103-F114 HydrophobicContact CD2-CE2 3.8Å; F103-F114 AromaticContact CE2-CD2 3.54Å; F103-F114 HydrophobicContact CE2-CD2 3.54Å; F103-F114 AromaticContact CE2-CE2 3.91Å; F103-F114 HydrophobicContact CE2-CE2 3.91Å
115E96.1Very high90.6Very high118 Ų11899.8 Ų99.855%0.55150%0.504SS*.EExtended strand (participates in β ladder)trans-120.5139.5176-62.3-173.3164.900110L99 T100L99-E115 WeakPolarHBondContact O-CA 3.15Å; T100-E115 HydrophobicContact CG2-CG 4.23Å
116I96.4Very high90Very high14 Ų14103 Ų1037%0.07252%0.52CS..EExtended strand (participates in β ladder)trans-116.2146166.667.2-173000109.5L70 A75 I78 T98 L99 F101L70-I116 HydrophobicContact CD2-CD1 3.68Å; L70-I116 HydrophobicContact CD2-CG1 4.45Å; A75-I116 HydrophobicContact CB-CD1 4.37Å; I78-I116 HydrophobicContact CB-CG2 4.37Å; I78-I116 HydrophobicContact CD1-CG2 4.26Å; I78-I116 HydrophobicContact CG1-CG2 3.36Å; T98-I116 CarbonylContact C-O 3.54Å; T98-I116 WeakPolarHBondContact CA-O 3.49Å; T98-I116 WeakPolarHBondContact CB-O 3.4Å; L99-I116 HydrophobicContact CB-CD1 4.49Å; L99-I116 HydrophobicContact CB-CG1 4.06Å; L99-I116 HydrophobicContact CD2-CD1 4.48Å; L99-I116 PolarHBondContact N-O 3.43Å; L99-I116 PolarHBondContact O-N 2.95Å; F101-I116 HydrophobicContact CE2-CD1 3.47Å; F101-I116 VanDerWaalsContact CE2-CD1 3.47Å; F101-I116 HydrophobicContact CE2-CG1 3.79Å; F101-I116 HydrophobicContact CE2-CG2 4.29Å; F101-I116 HydrophobicContact CZ-CD1 3.79Å
117K96.9Very high89.7Confident180 Ų18098 Ų9878%0.78352%0.521SS*.EExtended strand (participates in β ladder)trans-70.6135.3170.2-66.7-175.7177-175.20109.6
118L97.1Very high89.5Confident30 Ų3096.9 Ų96.916%0.15751%0.508CS..  trans-79.9155.6170.9-65.5173.8000109.9L68 G69 L70 A96 D97 L99L68-L118 HydrophobicContact CB-CD1 4.44Å; L68-L118 HydrophobicContact CB-CD2 3.95Å; L68-L118 HydrophobicContact CD2-CD1 3.7Å; G69-L118 CarbonylContact O-C 3.56Å; G69-L118 WeakPolarHBondContact O-CA 3.17Å; G69-L118 WeakPolarHBondContact O-CD2 3.23Å; L70-L118 HydrophobicContact CD2-CD2 3.51Å; A96-L118 HydrophobicContact CB-CD1 3.59Å; A96-L118 WeakPolarHBondContact O-CD1 3.27Å; D97-L118 PolarHBondContact O-N 2.97Å; L99-L118 HydrophobicContact CB-CD2 3.84Å; L99-L118 HydrophobicContact CB-CG 4.39Å
119M94.2Very high89.5Confident67 Ų6792.9 Ų92.933%0.3350%0.497SS..BIsolated β-bridgetrans-108.9144175.7-58.9-176.268.300108.8E25 G69 N71 L121E25-M119 VanDerWaalsContact CD-CE 3.46Å; E25-M119 HydrophobicContact CG-CE 4.29Å; E25-M119 HydrophobicContact CG-SD 4.07Å; E25-M119 VanDerWaalsContact OE1-CE 3.25Å; E25-M119 WeakPolarHBondContact OE1-CE 3.47Å; G69-M119 WeakPolarHBondContact CA-O 3.47Å; G69-M119 PolarHBondContact O-N 3.35Å; N71-M119 HydrophobicContact CB-SD 3.8Å; M119-L121 HydrophobicContact CB-CD2 3.86Å; M119-L121 HydrophobicContact CB-CG 3.99Å; M119-L121 HydrophobicContact CE-CD2 4.4Å; M119-L121 PolarHBondContact O-N 2.68Å
120D90.3Very high89.3Confident161 Ų16195 Ų9586%0.86151%0.509SS*.  trans-83.2109.3166-163.45.2000107.1
121L89.3Confident89.4Confident38 Ų3891.8 Ų91.820%0.19950%0.501CS..  trans-114.9127.6-176.8-61-179.2000108.3E25 M119 V123E25-L121 HydrophobicContact CB-CD1 4.11Å; E25-L121 HydrophobicContact CB-CD2 4.26Å; E25-L121 WeakPolarHBondContact OE2-CD2 3.03Å; M119-L121 HydrophobicContact CB-CD2 3.86Å; M119-L121 HydrophobicContact CB-CG 3.99Å; M119-L121 HydrophobicContact CE-CD2 4.4Å; M119-L121 PolarHBondContact O-N 2.68Å; L121-V123 HydrophobicContact CB-CG2 4.21Å; L121-V123 PolarHBondContact O-N 3.34Å; L121-V123 VanDerWaalsContact O-N 3.1Å
122D78.6Confident89.3Confident174 Ų17493 Ų9393%0.9350%0.502SS*.  trans-72100.8167.4-72.8-39.3000108.1
123V69.6Low89.3Confident51 Ų5193.1 Ų93.131%0.30950%0.497SS..  trans-97.9110.5-179-171.10000110.4T27 L121 H125T27-V123 HydrophobicContact CG2-CG2 4.05Å; T27-V123 WeakPolarHBondContact OG1-CG2 3.29Å; L121-V123 HydrophobicContact CB-CG2 4.21Å; L121-V123 PolarHBondContact O-N 3.34Å; L121-V123 VanDerWaalsContact O-N 3.1Å; V123-H125 PolarHBondContact O-N 2.67Å
124D71.5Confident89.3Confident147 Ų14789.4 Ų89.479%0.78648%0.479SS*.  trans-83101.5162.3-74.6-33.3000109.2L126D124-L126 PolarHBondContact O-N 2.9Å; D124-L126 VanDerWaalsContact O-N 3.15Å
125H76.3Confident89.4Confident110 Ų11086.3 Ų86.351%0.50947%0.465SS..  trans-66.9112169.2-91.972.3000109.5D29 V123D29-H125 IonicContact OD1-CE1 3.81Å; D29-H125 IonicContact OD2-CE1 3.56Å; D29-H125 PolarHBondContact OD2-CE1 3.45Å; D29-H125 IonicContact OD2-NE2 3.73Å; D29-H125 PolarHBondContact OD2-NE2 3.38Å; V123-H125 PolarHBondContact O-N 2.67Å
126L83.7Confident89.5Confident79 Ų7982.7 Ų82.741%0.41445%0.449SS..  trans-82.3124176-64.5166.6000109.2Q38 M40 L47 D124 I128Q38-L126 PolarHBondContact NE2-O 2.93Å; Q38-L126 PolarHBondContact OE1-O 2.85Å; M40-L126 HydrophobicContact CB-CD1 4.47Å; M40-L126 HydrophobicContact SD-CD1 3.97Å; L47-L126 HydrophobicContact CD1-CB 4.26Å; L47-L126 HydrophobicContact CD1-CD1 3.66Å; D124-L126 PolarHBondContact O-N 2.9Å; D124-L126 VanDerWaalsContact O-N 3.15Å; L126-I128 PolarHBondContact O-N 3.42Å
127G86.3Confident89.6Confident79 Ų7982 Ų8281%0.81445%0.445SS*.  trans-66.5112169.300000109.8P129G127-P129 WeakPolarHBondContact O-CD 3.27Å
128I88Confident89.7Confident61 Ų6178.8 Ų78.831%0.31343%0.428SS..PPolyproline II helixtrans-82.5119.2173.3-58.4172.7000107.4L47 L126 Y250L47-I128 HydrophobicContact CD2-CD1 4Å; L126-I128 PolarHBondContact O-N 3.42Å; I128-Y250 HydrophobicContact CD1-CD2 4.47Å; I128-Y250 HydrophobicContact CD1-CE2 3.73Å; I128-Y250 HydrophobicContact CG2-CD1 4.47Å; I128-Y250 HydrophobicContact CG2-CE1 3.68Å
129P89.5Confident89.7Confident95 Ų9577.4 Ų77.462%0.61742%0.421SS*.PPolyproline II helixtrans-72.4142.9-178.528.9-33.6000111.6G127 T131G127-P129 WeakPolarHBondContact O-CD 3.27Å; P129-T131 PolarHBondContact O-N 2.93Å; P129-T131 VanDerWaalsContact O-N 3.15Å; P129-T131 PolarHBondContact O-OG1 2.68Å; P129-T131 VanDerWaalsContact O-OG1 3.09Å
130D90.2Very high89.9Confident175 Ų17575.4 Ų75.494%0.93641%0.413SS*.PPolyproline II helixtrans-61.6116.5167.1-69.6-37000109.1
131T94.2Very high90.3Very high43 Ų4368 Ų6826%0.26437%0.374SS..  trans-119.3126.9-173.5-58.40000109.8P129 Y133 V233P129-T131 PolarHBondContact O-N 2.93Å; P129-T131 VanDerWaalsContact O-N 3.15Å; P129-T131 PolarHBondContact O-OG1 2.68Å; P129-T131 VanDerWaalsContact O-OG1 3.09Å; T131-Y133 HydrophobicContact CG2-CD1 4.34Å; T131-Y133 HydrophobicContact CG2-CD2 4.22Å; T131-Y133 HydrophobicContact CG2-CE1 4.01Å; T131-Y133 HydrophobicContact CG2-CE2 3.86Å; T131-Y133 HydrophobicContact CG2-CG 4.43Å; T131-Y133 WeakPolarHBondContact O-CD2 3.33Å; T131-Y133 PolarHBondContact O-N 2.94Å; T131-V233 HydrophobicContact CG2-CB 4.42Å; T131-V233 HydrophobicContact CG2-CG1 4.42Å; T131-V233 HydrophobicContact CG2-CG2 4.02Å
132D94.8Very high90.8Very high108 Ų10868.9 Ų68.958%0.57839%0.387SS*.  trans-8191.7175.5-179.533.9000110.4K134D132-K134 PolarHBondContact O-N 3.28Å; D132-K134 IonicContact OD2-NZ 3.3Å; D132-K134 PolarHBondContact OD2-NZ 2.7Å
133Y97.5Very high91.7Very high36 Ų3663.5 Ų63.514%0.14136%0.356CS..  trans-73.7117.1-177.8-72.4-79.3000112.3T131 C135 S228 T230 V233 P234 V236T131-Y133 HydrophobicContact CG2-CD1 4.34Å; T131-Y133 HydrophobicContact CG2-CD2 4.22Å; T131-Y133 HydrophobicContact CG2-CE1 4.01Å; T131-Y133 HydrophobicContact CG2-CE2 3.86Å; T131-Y133 HydrophobicContact CG2-CG 4.43Å; T131-Y133 WeakPolarHBondContact O-CD2 3.33Å; T131-Y133 PolarHBondContact O-N 2.94Å; Y133-C135 VanDerWaalsContact C-N 3.33Å; Y133-C135 PolarHBondContact O-N 2.98Å; Y133-S228 VanDerWaalsContact CG-CB 3.5Å; Y133-T230 WeakPolarHBondContact CA-OG1 3.44Å; Y133-V233 HydrophobicContact CE1-CG2 4.19Å; Y133-P234 PolarHBondContact OH-O 3.03Å; Y133-V236 HydrophobicContact CE1-CG2 4.07Å; Y133-V236 HydrophobicContact CE2-CG2 3.85Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.37Å
134K97.9Very high93.1Very high47 Ų4761.1 Ų61.120%0.20434%0.342CS..SBendtrans-70.4-24.2-179.8-54.6-51.7177.9-174.80114.5D132 H200 E201 V203 L229 T230D132-K134 PolarHBondContact O-N 3.28Å; D132-K134 IonicContact OD2-NZ 3.3Å; D132-K134 PolarHBondContact OD2-NZ 2.7Å; K134-H200 PolarHBondContact O-N 2.8Å; K134-E201 HydrophobicContact CB-CB 4.14Å; K134-E201 HydrophobicContact CG-CB 4.33Å; K134-V203 HydrophobicContact CB-CG2 4.29Å; K134-L229 PolarHBondContact N-O 2.88Å; K134-T230 HydrophobicContact CG-CG2 3.93Å; K134-T230 PolarHBondContact N-OG1 2.86Å
135C98.4Very high94.4Very high0 Ų057.3 Ų57.30%032%0.319CS..EExtended strand (participates in β ladder)trans-129.5127.4177-65.10000110.1Y133 I137 V162 E198 E201 S228 L229Y133-C135 VanDerWaalsContact C-N 3.33Å; Y133-C135 PolarHBondContact O-N 2.98Å; C135-I137 HydrophobicContact CB-CD1 4.15Å; C135-V162 HydrophobicContact CB-CB 4.26Å; C135-V162 HydrophobicContact CB-CG1 4.15Å; C135-V162 HydrophobicContact CB-CG2 4.03Å; C135-E198 CarbonylContact C-O 3.59Å; C135-E198 VanDerWaalsContact CA-O 3.31Å; C135-E198 WeakPolarHBondContact CA-O 3.14Å; C135-E201 PolarHBondContact SG-O 3.07Å; C135-S228 CarbonylContact O-C 3.52Å; C135-S228 WeakPolarHBondContact O-CA 3.28Å; C135-L229 HydrophobicContact CB-CB 4.16Å; C135-L229 PolarHBondContact N-O 3.38Å; C135-L229 PolarHBondContact O-N 3.19Å
136I98.4Very high95.4Very high41 Ų4158.6 Ų58.621%0.2132%0.32CS..EExtended strand (participates in β ladder)trans-125.8115.4173.8-56.3176.3000107.9E198 V226I136-E198 HydrophobicContact CB-CB 4.33Å; I136-E198 PolarHBondContact N-O 3.12Å; I136-E198 PolarHBondContact O-N 3.18Å; I136-V226 HydrophobicContact CG2-CG1 3.63Å
137I98.5Very high96.2Very high0 Ų055 Ų550%030%0.301CS..EExtended strand (participates in β ladder)trans-113.2122-179.6-53.892.2000109.1C135 M139 V162 V167 S196 I197 V226 L227 L229C135-I137 HydrophobicContact CB-CD1 4.15Å; I137-M139 HydrophobicContact CB-CE 4.28Å; I137-M139 HydrophobicContact CG2-CE 3.32Å; I137-V162 HydrophobicContact CD1-CG2 3.86Å; I137-V167 HydrophobicContact CG1-CB 4.49Å; I137-V167 HydrophobicContact CG2-CG1 4.2Å; I137-S196 CarbonylContact C-O 3.51Å; I137-S196 VanDerWaalsContact CA-O 3.32Å; I137-S196 WeakPolarHBondContact CA-O 3.46Å; I137-I197 HydrophobicContact CG1-CG2 4.35Å; I137-I197 HydrophobicContact CG2-CG1 4.14Å; I137-V226 CarbonylContact O-C 3.59Å; I137-V226 WeakPolarHBondContact O-CA 3.4Å; I137-L227 HydrophobicContact CB-CB 4.36Å; I137-L227 PolarHBondContact N-O 3.32Å; I137-L227 PolarHBondContact O-N 3.49Å; I137-L229 HydrophobicContact CD1-CD1 4.02Å
138R98.6Very high96.8Very high112 Ų11251.3 Ų51.342%0.42326%0.263SS..EExtended strand (participates in β ladder)trans-105.1127.8169.2-56.1-176.8-176.3-90.9-4.6108.6V195 S196 V225 V226R138-V195 CarbonylContact O-C 3.56Å; R138-V195 VanDerWaalsContact O-CA 3.31Å; R138-V195 WeakPolarHBondContact O-CA 3.49Å; R138-S196 PolarHBondContact N-O 2.64Å; R138-S196 PolarHBondContact O-N 3.26Å; R138-V225 WeakPolarHBondContact CA-O 3.45Å; R138-V226 HydrophobicContact CG-CG1 4.23Å; R138-V226 HydrophobicContact CG-CG2 4.17Å; R138-V226 VanDerWaalsContact NH1-CG2 3.26Å
139M98.6Very high97.2Very high1 Ų154 Ų541%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-149.7165.9179.269.5179.471.400111.5I137 S141 L144 F169 L182 V195 Q224 V225I137-M139 HydrophobicContact CB-CE 4.28Å; I137-M139 HydrophobicContact CG2-CE 3.32Å; M139-S141 PolarHBondContact O-N 2.75Å; M139-L144 HydrophobicContact SD-CB 3.92Å; M139-L144 HydrophobicContact SD-CD1 4.29Å; M139-F169 HydrophobicContact CE-CE2 4.11Å; M139-F169 HydrophobicContact CE-CZ 3.78Å; M139-F169 HydrophobicContact SD-CZ 4.49Å; M139-L182 HydrophobicContact CB-CD1 4.48Å; M139-L182 HydrophobicContact CE-CD1 3.73Å; M139-L182 HydrophobicContact SD-CD1 3.6Å; M139-V195 HydrophobicContact CB-CG1 4.46Å; M139-V195 HydrophobicContact CB-CG2 4.14Å; M139-Q224 VanDerWaalsContact N-OE1 3.14Å; M139-Q224 CarbonylContact O-C 3.53Å; M139-Q224 WeakPolarHBondContact O-CA 3.41Å; M139-Q224 VanDerWaalsContact O-CD 3.26Å; M139-Q224 PolarHBondContact O-OE1 3.12Å; M139-Q224 VanDerWaalsContact O-OE1 3.13Å; M139-V225 HydrophobicContact CG-CG1 3.65Å; M139-V225 PolarHBondContact N-O 3.45Å; M139-V225 VanDerWaalsContact N-O 3.09Å; M139-V225 PolarHBondContact O-N 3.3Å
140P98.5Very high97.7Very high25 Ų2552.4 Ų52.416%0.16226%0.255CS..EExtended strand (participates in β ladder)trans-59.2129.8174.2-2334.6000110.2A142 Q143 L144 S194 S223P140-A142 VanDerWaalsContact C-N 3.26Å; P140-A142 PolarHBondContact O-N 2.97Å; P140-Q143 HydrophobicContact CB-CB 4.05Å; P140-Q143 HydrophobicContact CG-CB 4.46Å; P140-Q143 WeakPolarHBondContact O-CA 3.44Å; P140-Q143 VanDerWaalsContact O-CB 3.25Å; P140-Q143 WeakPolarHBondContact O-CB 3.42Å; P140-Q143 PolarHBondContact O-N 2.88Å; P140-L144 PolarHBondContact O-N 3Å; P140-S194 WeakPolarHBondContact CD-O 3.25Å; P140-S223 WeakPolarHBondContact CA-O 3.39Å
141S98.6Very high98.1Very high5 Ų544.3 Ų44.34%0.03521%0.212CC..Hα-helixtrans-59.6-39-177.854.90000112M139 Q143 L144 Q145 S222 S223M139-S141 PolarHBondContact O-N 2.75Å; S141-Q143 PolarHBondContact O-N 2.82Å; S141-L144 PolarHBondContact O-N 2.97Å; S141-Q145 PolarHBondContact O-N 3.15Å; S141-S222 VanDerWaalsContact CB-O 3.26Å; S141-S222 WeakPolarHBondContact CB-O 3.33Å; S141-S222 PolarHBondContact OG-O 3.33Å; S141-S223 PolarHBondContact N-O 2.98Å; S141-S223 PolarHBondContact OG-O 2.85Å
142A98.5Very high98.2Very high58 Ų5844 Ų4448%0.47921%0.212SC..Hα-helixtrans-62-29.3174.100000113.2P140 R146P140-A142 VanDerWaalsContact C-N 3.26Å; P140-A142 PolarHBondContact O-N 2.97Å; A142-R146 WeakPolarHBondContact O-CB 3.42Å; A142-R146 PolarHBondContact O-N 2.75Å
143Q98.3Very high98.3Very high61 Ų6145.3 Ų45.329%0.28521%0.214SC..Hα-helixtrans-70.2-47.2176-176.46225.100110.5P140 S141 Q145 R146 I147 L182P140-Q143 HydrophobicContact CB-CB 4.05Å; P140-Q143 HydrophobicContact CG-CB 4.46Å; P140-Q143 WeakPolarHBondContact O-CA 3.44Å; P140-Q143 VanDerWaalsContact O-CB 3.25Å; P140-Q143 WeakPolarHBondContact O-CB 3.42Å; P140-Q143 PolarHBondContact O-N 2.88Å; S141-Q143 PolarHBondContact O-N 2.82Å; Q143-Q145 PolarHBondContact O-N 2.96Å; Q143-R146 PolarHBondContact O-N 3.05Å; Q143-I147 HydrophobicContact CG-CD1 4.08Å; Q143-I147 VanDerWaalsContact O-CG1 3.29Å; Q143-I147 WeakPolarHBondContact O-CG1 3.14Å; Q143-I147 PolarHBondContact O-N 3.08Å; Q143-L182 HydrophobicContact CG-CD1 4.12Å; Q143-L182 HydrophobicContact CG-CD2 4.09Å
144L98.8Very high98.4Very high1 Ų145.7 Ų45.71%0.00522%0.218CC..Hα-helixtrans-59.9-46.6174.7-177.364.2000111.2M139 P140 S141 R146 I147 C148 F169 T216 V225 V237M139-L144 HydrophobicContact SD-CB 3.92Å; M139-L144 HydrophobicContact SD-CD1 4.29Å; P140-L144 PolarHBondContact O-N 3Å; S141-L144 PolarHBondContact O-N 2.97Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 2.93Å; L144-I147 PolarHBondContact O-N 2.65Å; L144-I147 VanDerWaalsContact O-N 3.16Å; L144-C148 PolarHBondContact O-N 2.87Å; L144-C148 PolarHBondContact O-SG 2.83Å; L144-F169 HydrophobicContact CD1-CE1 3.99Å; L144-F169 HydrophobicContact CD1-CZ 4.28Å; L144-T216 HydrophobicContact CD2-CG2 4.22Å; L144-T216 HydrophobicContact CG-CG2 4.04Å; L144-V225 HydrophobicContact CB-CG1 3.89Å; L144-V225 HydrophobicContact CD2-CB 4.41Å; L144-V225 HydrophobicContact CD2-CG1 3.73Å; L144-V225 HydrophobicContact CD2-CG2 3.9Å; L144-V225 HydrophobicContact CG-CG1 4.46Å; L144-V237 HydrophobicContact CD2-CG1 4.18Å
145Q98.7Very high98.3Very high66 Ų6643.9 Ų43.931%0.30821%0.213SC..Hα-helixtrans-56-44.4177.6-175.3179.561.400112.3S141 Q143 R149 T216S141-Q145 PolarHBondContact O-N 3.15Å; Q143-Q145 PolarHBondContact O-N 2.96Å; Q145-R149 WeakPolarHBondContact O-CB 3.3Å; Q145-R149 PolarHBondContact O-N 3.09Å; Q145-R149 VanDerWaalsContact O-N 3.12Å; Q145-T216 HydrophobicContact CB-CG2 4.17Å; Q145-T216 PolarHBondContact NE2-O 2.9Å; Q145-T216 VanDerWaalsContact NE2-O 3.12Å
146R98.7Very high98.3Very high138 Ų13850.1 Ų50.152%0.52125%0.246SC..Hα-helixtrans-63.7-47176.4174.9168.4-173.6-170.62.8111.8A142 Q143 L144 C148 R149 D150A142-R146 WeakPolarHBondContact O-CB 3.42Å; A142-R146 PolarHBondContact O-N 2.75Å; Q143-R146 PolarHBondContact O-N 3.05Å; L144-R146 VanDerWaalsContact C-N 3.3Å; L144-R146 PolarHBondContact O-N 2.93Å; R146-C148 PolarHBondContact O-N 2.89Å; R146-R149 PolarHBondContact O-N 2.88Å; R146-D150 VanDerWaalsContact CG-OD2 3.22Å; R146-D150 WeakPolarHBondContact CG-OD2 3.2Å; R146-D150 IonicContact NE-OD2 3.77Å; R146-D150 PolarHBondContact NE-OD2 3.27Å; R146-D150 VanDerWaalsContact O-CB 3.29Å; R146-D150 WeakPolarHBondContact O-CB 3.28Å; R146-D150 PolarHBondContact O-N 3.49Å
147I98.7Very high98.2Very high3 Ų349.8 Ų49.82%0.01525%0.248CC..Hα-helixtrans-56-50.6178.8-71167.5000110.4Q143 L144 R149 D150 L151 F169 V180 L182Q143-I147 HydrophobicContact CG-CD1 4.08Å; Q143-I147 VanDerWaalsContact O-CG1 3.29Å; Q143-I147 WeakPolarHBondContact O-CG1 3.14Å; Q143-I147 PolarHBondContact O-N 3.08Å; L144-I147 PolarHBondContact O-N 2.65Å; L144-I147 VanDerWaalsContact O-N 3.16Å; I147-R149 PolarHBondContact O-N 3.1Å; I147-D150 PolarHBondContact O-N 3.35Å; I147-L151 HydrophobicContact CG2-CD1 3.75Å; I147-L151 HydrophobicContact CG2-CG 4.32Å; I147-L151 WeakPolarHBondContact O-CB 3.36Å; I147-L151 WeakPolarHBondContact O-CG 3.44Å; I147-L151 PolarHBondContact O-N 2.81Å; I147-F169 HydrophobicContact CD1-CD2 4.01Å; I147-F169 HydrophobicContact CD1-CE2 4.17Å; I147-F169 HydrophobicContact CG2-CB 3.59Å; I147-F169 HydrophobicContact CG2-CD1 4.02Å; I147-F169 HydrophobicContact CG2-CD2 4.21Å; I147-F169 HydrophobicContact CG2-CG 3.69Å; I147-V180 HydrophobicContact CD1-CG1 3.98Å; I147-V180 HydrophobicContact CG1-CB 4.23Å; I147-V180 HydrophobicContact CG1-CG1 3.87Å; I147-V180 HydrophobicContact CG1-CG2 4.48Å; I147-L182 HydrophobicContact CD1-CD1 3.95Å; I147-L182 HydrophobicContact CD1-CD2 4.39Å; I147-L182 HydrophobicContact CD1-CG 4.28Å
148C98.6Very high98.2Very high2 Ų249.9 Ų49.91%0.01425%0.248CC..Hα-helixtrans-62-45-178.6-60.50000112L144 R146 S152 L209 F212L144-C148 PolarHBondContact O-N 2.87Å; L144-C148 PolarHBondContact O-SG 2.83Å; R146-C148 PolarHBondContact O-N 2.89Å; C148-S152 WeakPolarHBondContact O-CB 3.45Å; C148-S152 PolarHBondContact O-N 2.8Å; C148-S152 PolarHBondContact O-OG 2.76Å; C148-L209 HydrophobicContact CB-CD2 4.15Å; C148-F212 HydrophobicContact CB-CB 4.36Å
149R98.3Very high98.2Very high118 Ų11846.4 Ų46.445%0.44524%0.239SC..Hα-helixtrans-63.1-46.5178.4-178.4-170.563.5-131.1-6.1112.2Q145 R146 I147 S152 N213Q145-R149 WeakPolarHBondContact O-CB 3.3Å; Q145-R149 PolarHBondContact O-N 3.09Å; Q145-R149 VanDerWaalsContact O-N 3.12Å; R146-R149 PolarHBondContact O-N 2.88Å; I147-R149 PolarHBondContact O-N 3.1Å; R149-S152 PolarHBondContact O-N 2.86Å; R149-N213 PolarHBondContact N-OD1 3.37Å
150D98.4Very high98.2Very high61 Ų6146.4 Ų46.433%0.32624%0.239SC..Hα-helixtrans-69-41.9-175.7-640.2000109.8R146 I147 S152 Q153R146-D150 VanDerWaalsContact CG-OD2 3.22Å; R146-D150 WeakPolarHBondContact CG-OD2 3.2Å; R146-D150 IonicContact NE-OD2 3.77Å; R146-D150 PolarHBondContact NE-OD2 3.27Å; R146-D150 VanDerWaalsContact O-CB 3.29Å; R146-D150 WeakPolarHBondContact O-CB 3.28Å; R146-D150 PolarHBondContact O-N 3.49Å; I147-D150 PolarHBondContact O-N 3.35Å; D150-S152 PolarHBondContact O-N 3.03Å; D150-Q153 WeakPolarHBondContact O-CB 3.12Å; D150-Q153 PolarHBondContact O-N 3.34Å
151L98.5Very high98.2Very high5 Ų546.5 Ų46.53%0.02624%0.241CC..Hα-helixtrans-70.1-26.9176.3-68.2-179.1000113.6I147 Q153 I154 G155 V158 F169 L209I147-L151 HydrophobicContact CG2-CD1 3.75Å; I147-L151 HydrophobicContact CG2-CG 4.32Å; I147-L151 WeakPolarHBondContact O-CB 3.36Å; I147-L151 WeakPolarHBondContact O-CG 3.44Å; I147-L151 PolarHBondContact O-N 2.81Å; L151-Q153 PolarHBondContact O-N 2.62Å; L151-I154 WeakPolarHBondContact O-CB 3.4Å; L151-I154 PolarHBondContact O-N 3.37Å; L151-G155 PolarHBondContact O-N 3.22Å; L151-V158 HydrophobicContact CD1-CG2 3.87Å; L151-F169 HydrophobicContact CD1-CB 3.71Å; L151-L209 HydrophobicContact CB-CD1 3.88Å; L151-L209 HydrophobicContact CB-CD2 4.32Å
152S97.9Very high98.2Very high37 Ų3746.4 Ų46.426%0.25924%0.24SC..THydrogen-bonded Turntrans-67-13171.8-71.20000114.2C148 R149 D150 L209 N213C148-S152 WeakPolarHBondContact O-CB 3.45Å; C148-S152 PolarHBondContact O-N 2.8Å; C148-S152 PolarHBondContact O-OG 2.76Å; R149-S152 PolarHBondContact O-N 2.86Å; D150-S152 PolarHBondContact O-N 3.03Å; S152-L209 WeakPolarHBondContact OG-CB 3.37Å; S152-N213 PolarHBondContact OG-ND2 3.49Å
153Q97.2Very high98.1Very high134 Ų13445.5 Ų45.563%0.62623%0.232SC*.THydrogen-bonded Turntrans-77.4-14.2168.5-54.9-53.8-65.900112.3D150 L151 L175D150-Q153 WeakPolarHBondContact O-CB 3.12Å; D150-Q153 PolarHBondContact O-N 3.34Å; L151-Q153 PolarHBondContact O-N 2.62Å; Q153-L175 WeakPolarHBondContact O-CD1 3.49Å
154I97.6Very high97.8Very high45 Ų4552.4 Ų52.423%0.23126%0.261CS..THydrogen-bonded Turntrans-100.5-47.6-176.9-55-57.9000111.3L151 G173 G176L151-I154 WeakPolarHBondContact O-CB 3.4Å; L151-I154 PolarHBondContact O-N 3.37Å; I154-G173 VanDerWaalsContact O-CA 3.32Å; I154-G173 WeakPolarHBondContact O-CA 3.33Å; I154-G176 WeakPolarHBondContact CG2-O 3.41Å
155G97.2Very high97.5Very high9 Ų957.1 Ų57.19%0.09329%0.286CS..  trans-164.5175.5-178.400000112.9L151 S171 L209L151-G155 PolarHBondContact O-N 3.22Å; G155-S171 WeakPolarHBondContact CA-OG 3.33Å; G155-S171 PolarHBondContact N-OG 2.58Å; G155-L209 WeakPolarHBondContact O-CD1 3.32Å
156D97.2Very high97.5Very high130 Ų13054.2 Ų54.270%0.69528%0.275SS*.SBendtrans-89.3-8.5-172.3-64.3-36000114.4L209D156-L209 PolarHBondContact O-N 3.39Å
157S97.9Very high97.5Very high35 Ų3547.7 Ų47.725%0.24525%0.25CC..EExtended strand (participates in β ladder)trans-121.3151.8-178.4-55.50000111S171 Y207 L209 K254S157-S171 VanDerWaalsContact O-CB 3.26Å; S157-S171 WeakPolarHBondContact O-CB 3.33Å; S157-S171 PolarHBondContact O-OG 3.45Å; S157-Y207 CarbonylContact C-O 3.6Å; S157-Y207 VanDerWaalsContact CA-O 3.26Å; S157-Y207 WeakPolarHBondContact CA-O 3.31Å; S157-L209 VanDerWaalsContact O-CD1 3.31Å; S157-L209 WeakPolarHBondContact O-CD1 3.42Å; S157-K254 WeakPolarHBondContact OG-CD 3.47Å; S157-K254 PolarHBondContact OG-NZ 2.88Å
158V98.4Very high97.4Very high2 Ų248.9 Ų48.91%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-122.8126.8168.259.10000109.2L151 I160 F169 S170 T206 Y207 L209 F212L151-V158 HydrophobicContact CD1-CG2 3.87Å; V158-I160 HydrophobicContact CG1-CD1 4.33Å; V158-I160 HydrophobicContact CG1-CG1 4.17Å; V158-I160 HydrophobicContact CG2-CG1 4Å; V158-F169 HydrophobicContact CG2-CB 3.95Å; V158-F169 HydrophobicContact CG2-CD1 4.11Å; V158-S170 CarbonylContact C-O 3.55Å; V158-S170 WeakPolarHBondContact CA-O 3.36Å; V158-T206 CarbonylContact O-C 3.55Å; V158-T206 WeakPolarHBondContact O-CA 3.46Å; V158-Y207 PolarHBondContact N-O 2.86Å; V158-Y207 PolarHBondContact O-N 3.13Å; V158-L209 HydrophobicContact CB-CD1 4.17Å; V158-L209 HydrophobicContact CB-CD2 3.78Å; V158-L209 HydrophobicContact CB-CG 3.75Å; V158-L209 HydrophobicContact CG1-CD2 3.82Å; V158-L209 HydrophobicContact CG1-CG 3.92Å; V158-F212 HydrophobicContact CG1-CD2 4.31Å
159V98.1Very high97.4Very high39 Ų3948.9 Ų48.924%0.23626%0.258CS..EExtended strand (participates in β ladder)trans-86.5119.3165-171.90000106.9F169 S170 M205V159-F169 WeakPolarHBondContact O-CA 3.2Å; V159-S170 PolarHBondContact N-O 3.15Å; V159-S170 PolarHBondContact O-N 2.99Å; V159-M205 WeakPolarHBondContact CA-O 3.44Å
160I98.4Very high97.5Very high0 Ų044.9 Ų44.90%025%0.249CC..EExtended strand (participates in β ladder)trans-105.5111.5176-50.7178.4000107.4V158 V167 S168 F169 S204 M205 Y207 F212 L227 L229V158-I160 HydrophobicContact CG1-CD1 4.33Å; V158-I160 HydrophobicContact CG1-CG1 4.17Å; V158-I160 HydrophobicContact CG2-CG1 4Å; I160-V167 HydrophobicContact CG2-CG2 3.85Å; I160-S168 WeakPolarHBondContact CA-O 3.49Å; I160-F169 HydrophobicContact CD1-CD1 4.12Å; I160-F169 HydrophobicContact CD1-CE1 3.88Å; I160-F169 HydrophobicContact CG1-CD1 3.82Å; I160-F169 HydrophobicContact CG1-CE1 3.99Å; I160-F169 HydrophobicContact CG2-CD1 4.2Å; I160-F169 HydrophobicContact CG2-CE1 3.88Å; I160-F169 HydrophobicContact CG2-CZ 4.26Å; I160-S204 WeakPolarHBondContact O-CA 3.45Å; I160-M205 PolarHBondContact N-O 3.1Å; I160-M205 PolarHBondContact O-N 3.47Å; I160-M205 VanDerWaalsContact O-N 3.07Å; I160-Y207 HydrophobicContact CD1-CD2 3.75Å; I160-Y207 HydrophobicContact CD1-CE2 4.15Å; I160-Y207 HydrophobicContact CG1-CD2 4.09Å; I160-F212 HydrophobicContact CD1-CE1 4.24Å; I160-F212 HydrophobicContact CD1-CE2 4.03Å; I160-F212 HydrophobicContact CD1-CZ 3.59Å; I160-L227 HydrophobicContact CD1-CD2 4.09Å; I160-L227 HydrophobicContact CG2-CD2 4.23Å; I160-L229 HydrophobicContact CB-CD1 4.3Å; I160-L229 HydrophobicContact CG2-CD1 3.62Å
161S98.1Very high97.4Very high28 Ų2842.2 Ų42.220%0.19624%0.235CC..EExtended strand (participates in β ladder)trans-115.4125.1-179.3-45.90000110.3V167 S168 V203 S204S161-V167 CarbonylContact O-C 3.58Å; S161-V167 WeakPolarHBondContact O-CA 3.42Å; S161-S168 PolarHBondContact N-O 3.01Å; S161-S168 PolarHBondContact O-N 2.85Å; S161-S168 PolarHBondContact O-OG 3.3Å; S161-V203 CarbonylContact C-O 3.57Å; S161-V203 VanDerWaalsContact CA-O 3.3Å; S161-V203 WeakPolarHBondContact CA-O 3.41Å; S161-S204 PolarHBondContact OG-OG 2.99Å
162V98.3Very high97.4Very high3 Ų348 Ų482%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-111.1120.8177.7-169.70000108C135 I137 V167 I197 M199 A202 V203 L229C135-V162 HydrophobicContact CB-CB 4.26Å; C135-V162 HydrophobicContact CB-CG1 4.15Å; C135-V162 HydrophobicContact CB-CG2 4.03Å; I137-V162 HydrophobicContact CD1-CG2 3.86Å; V162-V167 HydrophobicContact CG2-CB 4.41Å; V162-V167 HydrophobicContact CG2-CG2 3.98Å; V162-I197 HydrophobicContact CG1-CG2 3.93Å; V162-M199 HydrophobicContact CG1-CB 4.2Å; V162-M199 HydrophobicContact CG1-CG 4.02Å; V162-M199 HydrophobicContact CG1-SD 4.04Å; V162-A202 WeakPolarHBondContact O-CA 3.41Å; V162-V203 PolarHBondContact N-O 3.26Å; V162-V203 PolarHBondContact O-N 3.05Å; V162-L229 HydrophobicContact CG2-CD1 3.88Å
163A96.3Very high97.3Very high38 Ų3847.3 Ų47.331%0.31426%0.264SS..EExtended strand (participates in β ladder)trans-137.3176.7179.900000110.4D165 G166 M199A163-D165 WeakPolarHBondContact CB-OD1 3.36Å; A163-D165 PolarHBondContact O-N 3.02Å; A163-D165 VanDerWaalsContact O-N 3.07Å; A163-G166 PolarHBondContact N-O 3.36Å; A163-G166 PolarHBondContact O-N 3.49Å; A163-G166 VanDerWaalsContact O-N 3.09Å; A163-M199 VanDerWaalsContact CA-SD 3.51Å
164K93.2Very high97.2Very high206 Ų20649.4 Ų49.490%0.89628%0.28SS*.THydrogen-bonded Turntrans-57.5-27-177.9-68.1-175.8179.2178.90113.6M199K164-M199 HydrophobicContact CB-CE 4.42Å; K164-M199 HydrophobicContact CG-CE 3.72Å
165D92.8Very high96.9Very high100 Ų10054.5 Ų54.554%0.53531%0.307SS..THydrogen-bonded Turntrans-96.23.6-175.667.3-27.9000113.4A163 K181A163-D165 WeakPolarHBondContact CB-OD1 3.36Å; A163-D165 PolarHBondContact O-N 3.02Å; A163-D165 VanDerWaalsContact O-N 3.07Å; D165-K181 WeakPolarHBondContact O-CE 3.49Å; D165-K181 PolarHBondContact O-NZ 3.09Å; D165-K181 IonicContact OD1-NZ 2.75Å; D165-K181 IonicContact OD2-NZ 3.89Å; D165-K181 PolarHBondContact OD2-NZ 3.4Å
166G97.1Very high96.9Very high6 Ų655.4 Ų55.46%0.06232%0.316CS..EExtended strand (participates in β ladder)trans135.3-165174.100000113.7A163 L182A163-G166 PolarHBondContact N-O 3.36Å; A163-G166 PolarHBondContact O-N 3.49Å; A163-G166 VanDerWaalsContact O-N 3.09Å; G166-L182 VanDerWaalsContact CA-O 3.32Å; G166-L182 WeakPolarHBondContact CA-O 3.31Å
167V98.5Very high96.9Very high0 Ų054.7 Ų54.70%032%0.317CS..EExtended strand (participates in β ladder)trans-111.1132.6172.159.40000109.6I137 I160 S161 V162 F169 K181 L182 I197I137-V167 HydrophobicContact CG1-CB 4.49Å; I137-V167 HydrophobicContact CG2-CG1 4.2Å; I160-V167 HydrophobicContact CG2-CG2 3.85Å; S161-V167 CarbonylContact O-C 3.58Å; S161-V167 WeakPolarHBondContact O-CA 3.42Å; V162-V167 HydrophobicContact CG2-CB 4.41Å; V162-V167 HydrophobicContact CG2-CG2 3.98Å; V167-F169 HydrophobicContact CB-CE2 4.46Å; V167-F169 HydrophobicContact CG1-CE2 3.93Å; V167-F169 HydrophobicContact CG2-CD2 4.39Å; V167-F169 HydrophobicContact CG2-CE2 3.74Å; V167-F169 HydrophobicContact CG2-CZ 3.96Å; V167-K181 CarbonylContact O-C 3.53Å; V167-K181 WeakPolarHBondContact O-CA 3.33Å; V167-L182 HydrophobicContact CG1-CB 3.85Å; V167-L182 HydrophobicContact CG1-CD1 4.5Å; V167-L182 HydrophobicContact CG1-CG 4.5Å; V167-L182 PolarHBondContact N-O 2.83Å; V167-L182 PolarHBondContact O-N 2.94Å; V167-I197 HydrophobicContact CB-CD1 4.38Å; V167-I197 HydrophobicContact CG1-CD1 3.96Å
168S98.5Very high96.9Very high28 Ų2853.8 Ų53.820%0.19631%0.313CS..EExtended strand (participates in β ladder)trans-114.5140.817455.90000111.5I160 S161 V180I160-S168 WeakPolarHBondContact CA-O 3.49Å; S161-S168 PolarHBondContact N-O 3.01Å; S161-S168 PolarHBondContact O-N 2.85Å; S161-S168 PolarHBondContact O-OG 3.3Å; S168-V180 CarbonylContact C-O 3.45Å; S168-V180 WeakPolarHBondContact CA-O 3.47Å
169F98.7Very high96.9Very high2 Ų258.9 Ų58.91%0.00934%0.34CS..EExtended strand (participates in β ladder)trans-116.7110.3173.5-60.7-98.8000107.2M139 L144 I147 L151 V158 V159 I160 V167 N179 V180 L182 L227M139-F169 HydrophobicContact CE-CE2 4.11Å; M139-F169 HydrophobicContact CE-CZ 3.78Å; M139-F169 HydrophobicContact SD-CZ 4.49Å; L144-F169 HydrophobicContact CD1-CE1 3.99Å; L144-F169 HydrophobicContact CD1-CZ 4.28Å; I147-F169 HydrophobicContact CD1-CD2 4.01Å; I147-F169 HydrophobicContact CD1-CE2 4.17Å; I147-F169 HydrophobicContact CG2-CB 3.59Å; I147-F169 HydrophobicContact CG2-CD1 4.02Å; I147-F169 HydrophobicContact CG2-CD2 4.21Å; I147-F169 HydrophobicContact CG2-CG 3.69Å; L151-F169 HydrophobicContact CD1-CB 3.71Å; V158-F169 HydrophobicContact CG2-CB 3.95Å; V158-F169 HydrophobicContact CG2-CD1 4.11Å; V159-F169 WeakPolarHBondContact O-CA 3.2Å; I160-F169 HydrophobicContact CD1-CD1 4.12Å; I160-F169 HydrophobicContact CD1-CE1 3.88Å; I160-F169 HydrophobicContact CG1-CD1 3.82Å; I160-F169 HydrophobicContact CG1-CE1 3.99Å; I160-F169 HydrophobicContact CG2-CD1 4.2Å; I160-F169 HydrophobicContact CG2-CE1 3.88Å; I160-F169 HydrophobicContact CG2-CZ 4.26Å; V167-F169 HydrophobicContact CB-CE2 4.46Å; V167-F169 HydrophobicContact CG1-CE2 3.93Å; V167-F169 HydrophobicContact CG2-CD2 4.39Å; V167-F169 HydrophobicContact CG2-CE2 3.74Å; V167-F169 HydrophobicContact CG2-CZ 3.96Å; F169-N179 WeakPolarHBondContact O-CA 3.35Å; F169-V180 PolarHBondContact N-O 2.93Å; F169-V180 PolarHBondContact O-N 3.22Å; F169-L182 HydrophobicContact CE2-CD1 4.17Å; F169-L227 HydrophobicContact CE1-CD2 4.15Å; F169-L227 HydrophobicContact CZ-CD2 4.2Å
170S98.4Very high96.9Very high35 Ų3559 Ų5925%0.24534%0.341CS..EExtended strand (participates in β ladder)trans-121142.7-179.253.30000112.4V158 V159 G178V158-S170 CarbonylContact C-O 3.55Å; V158-S170 WeakPolarHBondContact CA-O 3.36Å; V159-S170 PolarHBondContact N-O 3.15Å; V159-S170 PolarHBondContact O-N 2.99Å; S170-G178 CarbonylContact C-O 3.57Å; S170-G178 WeakPolarHBondContact CA-O 3.13Å
171S98.3Very high96.9Very high5 Ų563.4 Ų63.44%0.03536%0.36CS..EExtended strand (participates in β ladder)trans-132.5145.7174.6179.50000109.5G155 S157 T177 G178G155-S171 WeakPolarHBondContact CA-OG 3.33Å; G155-S171 PolarHBondContact N-OG 2.58Å; S157-S171 VanDerWaalsContact O-CB 3.26Å; S157-S171 WeakPolarHBondContact O-CB 3.33Å; S157-S171 PolarHBondContact O-OG 3.45Å; S171-T177 WeakPolarHBondContact O-CA 3.26Å; S171-G178 PolarHBondContact N-O 3.02Å; S171-G178 PolarHBondContact O-N 3.33Å
172N97.2Very high96.9Very high125 Ų12563 Ų6367%0.66836%0.356SS*.EExtended strand (participates in β ladder)trans-129.5134.4177.2-17733.5000108.4G176 T177N172-G176 PolarHBondContact OD1-O 3.1Å; N172-T177 HydrophobicContact CB-CG2 4.33Å; N172-T177 WeakPolarHBondContact OD1-CG2 3.29Å
173G96.2Very high96.9Very high23 Ų2366.2 Ų66.224%0.23738%0.378CS..EExtended strand (participates in β ladder)trans-164.3-172.1175.600000111.3I154 L175 G176I154-G173 VanDerWaalsContact O-CA 3.32Å; I154-G173 WeakPolarHBondContact O-CA 3.33Å; G173-L175 PolarHBondContact O-N 3.48Å; G173-L175 VanDerWaalsContact O-N 3.15Å; G173-G176 PolarHBondContact N-O 2.92Å; G173-G176 PolarHBondContact O-N 3.03Å
174D94.6Very high96.9Very high179 Ų17969.8 Ų69.896%0.95739%0.388SS*.THydrogen-bonded Turntrans-61.4-30.2-168.7-64.1-18.6000114G176D174-G176 VanDerWaalsContact C-N 3.31Å
175L92.6Very high97Very high151 Ų15162.3 Ų62.379%0.79136%0.362SS*.THydrogen-bonded Turntrans-76.9-17.7178.3-65.1-179.6000113.1Q153 G173Q153-L175 WeakPolarHBondContact O-CD1 3.49Å; G173-L175 PolarHBondContact O-N 3.48Å; G173-L175 VanDerWaalsContact O-N 3.15Å
176G96.6Very high97Very high29 Ų2962.3 Ų62.330%0.29938%0.375SS..EExtended strand (participates in β ladder)trans136.4-146.9-178.900000112.9I154 N172 G173 D174I154-G176 WeakPolarHBondContact CG2-O 3.41Å; N172-G176 PolarHBondContact OD1-O 3.1Å; G173-G176 PolarHBondContact N-O 2.92Å; G173-G176 PolarHBondContact O-N 3.03Å; D174-G176 VanDerWaalsContact C-N 3.31Å
177T97.7Very high96.7Very high114 Ų11464.3 Ų64.370%0.69938%0.384SS*.EExtended strand (participates in β ladder)trans-121.6148-17858.30000111.2S171 N172S171-T177 WeakPolarHBondContact O-CA 3.26Å; N172-T177 HydrophobicContact CB-CG2 4.33Å; N172-T177 WeakPolarHBondContact OD1-CG2 3.29Å
178G97.9Very high96.4Very high16 Ų1669 Ų6917%0.16542%0.423CS..EExtended strand (participates in β ladder)trans-127.3140.3171.800000109.4S170 S171S170-G178 CarbonylContact C-O 3.57Å; S170-G178 WeakPolarHBondContact CA-O 3.13Å; S171-G178 PolarHBondContact N-O 3.02Å; S171-G178 PolarHBondContact O-N 3.33Å
179N98.1Very high96.3Very high109 Ų10975 Ų7558%0.58345%0.453SS*.EExtended strand (participates in β ladder)trans-142.8126175.9-178.836000109.8F169F169-N179 WeakPolarHBondContact O-CA 3.35Å
180V98.4Very high96.1Very high43 Ų4379.5 Ų79.526%0.26147%0.473SS..EExtended strand (participates in β ladder)trans-121.8124.6173.2-1750000108.4I147 S168 F169I147-V180 HydrophobicContact CD1-CG1 3.98Å; I147-V180 HydrophobicContact CG1-CB 4.23Å; I147-V180 HydrophobicContact CG1-CG1 3.87Å; I147-V180 HydrophobicContact CG1-CG2 4.48Å; S168-V180 CarbonylContact C-O 3.45Å; S168-V180 WeakPolarHBondContact CA-O 3.47Å; F169-V180 PolarHBondContact N-O 2.93Å; F169-V180 PolarHBondContact O-N 3.22Å
181K98.3Very high95.8Very high92 Ų9281.9 Ų81.940%0.449%0.487SS..EExtended strand (participates in β ladder)trans-112.3132.5178.5-174.2176.1175.8-172.40110.7D165 V167D165-K181 WeakPolarHBondContact O-CE 3.49Å; D165-K181 PolarHBondContact O-NZ 3.09Å; D165-K181 IonicContact OD1-NZ 2.75Å; D165-K181 IonicContact OD2-NZ 3.89Å; D165-K181 PolarHBondContact OD2-NZ 3.4Å; V167-K181 CarbonylContact O-C 3.53Å; V167-K181 WeakPolarHBondContact O-CA 3.33Å
182L98.1Very high95.6Very high19 Ų1985.5 Ų85.510%0.09950%0.504CS..EExtended strand (participates in β ladder)trans-111.9133.4170.5-53.6-180000109.1M139 Q143 I147 G166 V167 F169 V195M139-L182 HydrophobicContact CB-CD1 4.48Å; M139-L182 HydrophobicContact CE-CD1 3.73Å; M139-L182 HydrophobicContact SD-CD1 3.6Å; Q143-L182 HydrophobicContact CG-CD1 4.12Å; Q143-L182 HydrophobicContact CG-CD2 4.09Å; I147-L182 HydrophobicContact CD1-CD1 3.95Å; I147-L182 HydrophobicContact CD1-CD2 4.39Å; I147-L182 HydrophobicContact CD1-CG 4.28Å; G166-L182 VanDerWaalsContact CA-O 3.32Å; G166-L182 WeakPolarHBondContact CA-O 3.31Å; V167-L182 HydrophobicContact CG1-CB 3.85Å; V167-L182 HydrophobicContact CG1-CD1 4.5Å; V167-L182 HydrophobicContact CG1-CG 4.5Å; V167-L182 PolarHBondContact N-O 2.83Å; V167-L182 PolarHBondContact O-N 2.94Å; F169-L182 HydrophobicContact CE2-CD1 4.17Å; L182-V195 HydrophobicContact CB-CG1 4.3Å
183C96.8Very high95.6Very high71 Ų7184 Ų8448%0.4849%0.492SS..  trans-107158.3173.3-60.50000109.2S185C183-S185 PolarHBondContact O-N 3.03Å
184Q96.4Very high95.6Very high112 Ų11283.9 Ų83.952%0.52349%0.488SS..  trans-48.8127.7168.7-173.975.822.100109.7V195Q184-V195 WeakPolarHBondContact CA-O 3.36Å; Q184-V195 PolarHBondContact NE2-O 2.92Å
185S95.6Very high95.8Very high50 Ų5075.8 Ų75.835%0.3545%0.445SS..BIsolated β-bridgetrans-141.5145.7176.569.40000109.7C183 S194 V195C183-S185 PolarHBondContact O-N 3.03Å; S185-S194 WeakPolarHBondContact O-CB 3.38Å; S185-V195 PolarHBondContact N-O 3.49Å; S185-V195 PolarHBondContact O-N 3.14Å; S185-V195 VanDerWaalsContact O-N 3.11Å; S185-V195 PolarHBondContact OG-N 2.97Å
186A93.3Very high96.1Very high99 Ų9970.3 Ų70.382%0.81842%0.42SS*.  trans-128.6128.7175.800000108.8
187N91.9Very high96.1Very high48 Ų4870.3 Ų70.326%0.25741%0.412SS..  trans-120.2106.6173-175.3-17.6000108.2D189 K190 P191 E193 S194N187-D189 VanDerWaalsContact C-N 3.33Å; N187-D189 PolarHBondContact OD1-N 3.11Å; N187-K190 WeakPolarHBondContact CB-O 3.21Å; N187-K190 CarbonylContact O-C 3.5Å; N187-K190 VanDerWaalsContact O-C 3.22Å; N187-K190 PolarHBondContact O-N 3.13Å; N187-K190 PolarHBondContact OD1-N 3.08Å; N187-K190 VanDerWaalsContact OD1-N 3.1Å; N187-P191 WeakPolarHBondContact O-CA 3.39Å; N187-E193 PolarHBondContact ND2-OE2 3.29Å; N187-E193 VanDerWaalsContact ND2-OE2 3.12Å; N187-S194 PolarHBondContact N-OG 2.92Å
188A91.9Very high96.1Very high98 Ų9869.1 Ų69.181%0.8140%0.399SS*.SBendtrans-69.4-31.4-176.200000112.8
189D95.3Very high96.1Very high155 Ų15571.1 Ų71.183%0.82941%0.405SS*.SBendtrans-79.7-29.2-179.9-63.7-37.3000111.8N187N187-D189 VanDerWaalsContact C-N 3.33Å; N187-D189 PolarHBondContact OD1-N 3.11Å
190K93.8Very high96Very high96 Ų9672.7 Ų72.742%0.41741%0.408SS..  trans-138.579.1179.5-65.6-177.3179.2176.80111.4N187 E192 E193N187-K190 WeakPolarHBondContact CB-O 3.21Å; N187-K190 CarbonylContact O-C 3.5Å; N187-K190 VanDerWaalsContact O-C 3.22Å; N187-K190 PolarHBondContact O-N 3.13Å; N187-K190 PolarHBondContact OD1-N 3.08Å; N187-K190 VanDerWaalsContact OD1-N 3.1Å; K190-E192 VanDerWaalsContact C-OE2 3.23Å; K190-E192 WeakPolarHBondContact CA-OE2 3.39Å; K190-E192 WeakPolarHBondContact CB-OE1 3.19Å; K190-E192 PolarHBondContact O-N 2.71Å; K190-E192 VanDerWaalsContact O-N 3.09Å; K190-E193 HydrophobicContact CB-CB 4.34Å; K190-E193 HydrophobicContact CB-CG 4.05Å; K190-E193 HydrophobicContact CD-CG 4.15Å; K190-E193 WeakPolarHBondContact CD-OE1 3.43Å; K190-E193 IonicContact NZ-OE1 3.24Å; K190-E193 PolarHBondContact NZ-OE1 2.92Å; K190-E193 PolarHBondContact O-N 2.79Å
191P93.6Very high95.9Very high85 Ų8576.2 Ų76.255%0.55242%0.422SS*.G310 helixtrans-54.1-31-178.6-27.336.2000113.5N187 E193 S194N187-P191 WeakPolarHBondContact O-CA 3.39Å; P191-E193 PolarHBondContact O-N 3.27Å; P191-S194 WeakPolarHBondContact O-CB 3.3Å; P191-S194 PolarHBondContact O-N 3.17Å; P191-S194 PolarHBondContact O-OG 3.28Å
192E94.3Very high95.9Very high82 Ų8275 Ų7538%0.38343%0.43SS..G310 helixtrans-68.1-8.7176.575.2-75.1-179.900115K190 Q224K190-E192 VanDerWaalsContact C-OE2 3.23Å; K190-E192 WeakPolarHBondContact CA-OE2 3.39Å; K190-E192 WeakPolarHBondContact CB-OE1 3.19Å; K190-E192 PolarHBondContact O-N 2.71Å; K190-E192 VanDerWaalsContact O-N 3.09Å; E192-Q224 VanDerWaalsContact C-NE2 3.3Å; E192-Q224 HydrophobicContact CB-CG 4.44Å; E192-Q224 PolarHBondContact O-NE2 3.47Å
193E96.1Very high95.8Very high92 Ų9274.3 Ų74.343%0.4343%0.426SS..G310 helixtrans-95.5-3.7170.9-66.4-177.9179.600112.3N187 K190 P191N187-E193 PolarHBondContact ND2-OE2 3.29Å; N187-E193 VanDerWaalsContact ND2-OE2 3.12Å; K190-E193 HydrophobicContact CB-CB 4.34Å; K190-E193 HydrophobicContact CB-CG 4.05Å; K190-E193 HydrophobicContact CD-CG 4.15Å; K190-E193 WeakPolarHBondContact CD-OE1 3.43Å; K190-E193 IonicContact NZ-OE1 3.24Å; K190-E193 PolarHBondContact NZ-OE1 2.92Å; K190-E193 PolarHBondContact O-N 2.79Å; P191-E193 PolarHBondContact O-N 3.27Å
194S97.3Very high95.8Very high22 Ų2274 Ų7415%0.15443%0.425CS..  trans-77.8156.4-176.6-55.20000112.7P140 S185 N187 P191 Q224P140-S194 WeakPolarHBondContact CD-O 3.25Å; S185-S194 WeakPolarHBondContact O-CB 3.38Å; N187-S194 PolarHBondContact N-OG 2.92Å; P191-S194 WeakPolarHBondContact O-CB 3.3Å; P191-S194 PolarHBondContact O-N 3.17Å; P191-S194 PolarHBondContact O-OG 3.28Å; S194-Q224 PolarHBondContact O-NE2 3.35Å; S194-Q224 VanDerWaalsContact O-NE2 3.08Å
195V98.2Very high95.9Very high9 Ų969.8 Ų69.86%0.05541%0.405CS..BIsolated β-bridgetrans-119.1119.5171.3178.40000108.9R138 M139 L182 Q184 S185 I197R138-V195 CarbonylContact O-C 3.56Å; R138-V195 VanDerWaalsContact O-CA 3.31Å; R138-V195 WeakPolarHBondContact O-CA 3.49Å; M139-V195 HydrophobicContact CB-CG1 4.46Å; M139-V195 HydrophobicContact CB-CG2 4.14Å; L182-V195 HydrophobicContact CB-CG1 4.3Å; Q184-V195 WeakPolarHBondContact CA-O 3.36Å; Q184-V195 PolarHBondContact NE2-O 2.92Å; S185-V195 PolarHBondContact N-O 3.49Å; S185-V195 PolarHBondContact O-N 3.14Å; S185-V195 VanDerWaalsContact O-N 3.11Å; S185-V195 PolarHBondContact OG-N 2.97Å; V195-I197 HydrophobicContact CG1-CD1 4.24Å; V195-I197 HydrophobicContact CG1-CG1 4.05Å
196S97.9Very high96Very high36 Ų3668.1 Ų68.125%0.25239%0.393SS..EExtended strand (participates in β ladder)trans-110.8132.7173.2-164.30000111I137 R138I137-S196 CarbonylContact C-O 3.51Å; I137-S196 VanDerWaalsContact CA-O 3.32Å; I137-S196 WeakPolarHBondContact CA-O 3.46Å; R138-S196 PolarHBondContact N-O 2.64Å; R138-S196 PolarHBondContact O-N 3.26Å
197I98Very high96.2Very high28 Ų2863.4 Ų63.414%0.14435%0.354CS..EExtended strand (participates in β ladder)trans-129.2105.6-179.2-56.2171.9000107.4I137 V162 V167 V195I137-I197 HydrophobicContact CG1-CG2 4.35Å; I137-I197 HydrophobicContact CG2-CG1 4.14Å; V162-I197 HydrophobicContact CG1-CG2 3.93Å; V167-I197 HydrophobicContact CB-CD1 4.38Å; V167-I197 HydrophobicContact CG1-CD1 3.96Å; V195-I197 HydrophobicContact CG1-CD1 4.24Å; V195-I197 HydrophobicContact CG1-CG1 4.05Å
198E97.5Very high96.5Very high90 Ų9062 Ų6242%0.42135%0.348SS..EExtended strand (participates in β ladder)trans-97.8118.8170.3-65.9170.5-138.800107.6C135 I136C135-E198 CarbonylContact C-O 3.59Å; C135-E198 VanDerWaalsContact CA-O 3.31Å; C135-E198 WeakPolarHBondContact CA-O 3.14Å; I136-E198 HydrophobicContact CB-CB 4.33Å; I136-E198 PolarHBondContact N-O 3.12Å; I136-E198 PolarHBondContact O-N 3.18Å
199M96.5Very high96.8Very high58 Ų5857.4 Ų57.429%0.28631%0.309SS..EExtended strand (participates in β ladder)trans-132.5116.3-176.3-176.1-167.473.100109.9V162 A163 K164 E201V162-M199 HydrophobicContact CG1-CB 4.2Å; V162-M199 HydrophobicContact CG1-CG 4.02Å; V162-M199 HydrophobicContact CG1-SD 4.04Å; A163-M199 VanDerWaalsContact CA-SD 3.51Å; K164-M199 HydrophobicContact CB-CE 4.42Å; K164-M199 HydrophobicContact CG-CE 3.72Å; M199-E201 WeakPolarHBondContact CG-O 3.35Å
200H96.7Very high96.9Very high141 Ų14155.8 Ų55.865%0.65330%0.297SS*.SBendtrans-89.5-41.5171.3-66.1-68.4000111.5K134K134-H200 PolarHBondContact O-N 2.8Å
201E96.2Very high97.1Very high117 Ų11752.6 Ų52.655%0.54728%0.282SS..SBendtrans-136.1150.3177.9-66.8176.9-165.100109.4K134 C135 M199K134-E201 HydrophobicContact CB-CB 4.14Å; K134-E201 HydrophobicContact CG-CB 4.33Å; C135-E201 PolarHBondContact SG-O 3.07Å; M199-E201 WeakPolarHBondContact CG-O 3.35Å
202A97.2Very high97.3Very high68 Ų6848.6 Ų48.656%0.56226%0.256SS*.  trans-68.7139.8174.300000109.3V162V162-A202 WeakPolarHBondContact O-CA 3.41Å
203V97.2Very high97.5Very high4 Ų446.7 Ų46.72%0.02425%0.249CC..EExtended strand (participates in β ladder)trans-132.3137.2-180173.70000108.1K134 S161 V162 M205 L229K134-V203 HydrophobicContact CB-CG2 4.29Å; S161-V203 CarbonylContact C-O 3.57Å; S161-V203 VanDerWaalsContact CA-O 3.3Å; S161-V203 WeakPolarHBondContact CA-O 3.41Å; V162-V203 PolarHBondContact N-O 3.26Å; V162-V203 PolarHBondContact O-N 3.05Å; V203-M205 HydrophobicContact CG1-CG 3.68Å; V203-L229 HydrophobicContact CG1-CB 4.11Å
204S97Very high97.6Very high65 Ų6542.9 Ų42.946%0.45523%0.231SC..EExtended strand (participates in β ladder)trans-139.1110.7170.9-170.50000109.5I160 S161I160-S204 WeakPolarHBondContact O-CA 3.45Å; S161-S204 PolarHBondContact OG-OG 2.99Å
205M97.1Very high97.7Very high23 Ų2341.9 Ų41.911%0.11322%0.224CC..EExtended strand (participates in β ladder)trans-135145.3-173.3-63.3-62.7-63.400111.2V159 I160 V203 Y207 E231 P253V159-M205 WeakPolarHBondContact CA-O 3.44Å; I160-M205 PolarHBondContact N-O 3.1Å; I160-M205 PolarHBondContact O-N 3.47Å; I160-M205 VanDerWaalsContact O-N 3.07Å; V203-M205 HydrophobicContact CG1-CG 3.68Å; M205-Y207 HydrophobicContact CB-CD2 4.4Å; M205-Y207 HydrophobicContact CB-CE2 3.48Å; M205-Y207 VanDerWaalsContact CB-CE2 3.48Å; M205-Y207 WeakPolarHBondContact CB-OH 3.48Å; M205-E231 HydrophobicContact SD-CB 4.38Å; M205-E231 HydrophobicContact SD-CG 4.34Å; M205-P253 HydrophobicContact CE-CB 3.3Å; M205-P253 HydrophobicContact CE-CG 3.52Å
206T97.8Very high97.7Very high14 Ų1441.6 Ų41.69%0.08622%0.223CC..EExtended strand (participates in β ladder)trans-99.9131.7-179.9-59.50000110.4V158 P253 K254 E256V158-T206 CarbonylContact O-C 3.55Å; V158-T206 WeakPolarHBondContact O-CA 3.46Å; T206-P253 CarbonylContact O-C 3.58Å; T206-P253 WeakPolarHBondContact O-CA 3.16Å; T206-K254 HydrophobicContact CG2-CB 4.16Å; T206-K254 HydrophobicContact CG2-CD 4.41Å; T206-K254 PolarHBondContact O-N 3.19Å; T206-E256 PolarHBondContact OG1-OE1 3.45Å
207Y98Very high97.7Very high0 Ų043.9 Ų43.90%023%0.228CC..EExtended strand (participates in β ladder)trans-131.9158.5179.3-59.5-80.3000111.8S157 V158 I160 M205 L209 F212 L229 A235 L251 P253S157-Y207 CarbonylContact C-O 3.6Å; S157-Y207 VanDerWaalsContact CA-O 3.26Å; S157-Y207 WeakPolarHBondContact CA-O 3.31Å; V158-Y207 PolarHBondContact N-O 2.86Å; V158-Y207 PolarHBondContact O-N 3.13Å; I160-Y207 HydrophobicContact CD1-CD2 3.75Å; I160-Y207 HydrophobicContact CD1-CE2 4.15Å; I160-Y207 HydrophobicContact CG1-CD2 4.09Å; M205-Y207 HydrophobicContact CB-CD2 4.4Å; M205-Y207 HydrophobicContact CB-CE2 3.48Å; M205-Y207 VanDerWaalsContact CB-CE2 3.48Å; M205-Y207 WeakPolarHBondContact CB-OH 3.48Å; Y207-L209 PolarHBondContact O-N 3.49Å; Y207-F212 HydrophobicContact CD2-CE2 4.16Å; Y207-F212 AromaticContact CG-CE2 3.84Å; Y207-F212 HydrophobicContact CG-CE2 3.84Å; Y207-L229 HydrophobicContact CE2-CD2 3.96Å; Y207-A235 HydrophobicContact CD1-CB 4.23Å; Y207-A235 HydrophobicContact CE1-CB 3.55Å; Y207-A235 HydrophobicContact CE2-CB 4.2Å; Y207-L251 HydrophobicContact CD1-CD2 4.15Å; Y207-L251 HydrophobicContact CD1-CG 4.17Å; Y207-L251 HydrophobicContact CG-CD2 4.43Å; Y207-P253 HydrophobicContact CD1-CB 4.33Å; Y207-P253 HydrophobicContact CE1-CB 3.86Å
208S97.8Very high97.7Very high19 Ų1942.6 Ų42.613%0.13322%0.221CC..EExtended strand (participates in β ladder)trans-74.6123.7173.7174.60000111.4H210 Y211 F212S208-H210 PolarHBondContact O-N 3.38Å; S208-H210 PolarHBondContact OG-N 3.45Å; S208-Y211 PolarHBondContact O-N 2.85Å; S208-F212 PolarHBondContact O-N 2.84Å
209L98.3Very high97.8Very high1 Ų139.2 Ų39.21%0.00521%0.207CC..Hα-helixtrans-67.9-24.9175.4-85.9166.6000112.5C148 L151 S152 G155 D156 S157 V158 Y207 Y211 F212 N213C148-L209 HydrophobicContact CB-CD2 4.15Å; L151-L209 HydrophobicContact CB-CD1 3.88Å; L151-L209 HydrophobicContact CB-CD2 4.32Å; S152-L209 WeakPolarHBondContact OG-CB 3.37Å; G155-L209 WeakPolarHBondContact O-CD1 3.32Å; D156-L209 PolarHBondContact O-N 3.39Å; S157-L209 VanDerWaalsContact O-CD1 3.31Å; S157-L209 WeakPolarHBondContact O-CD1 3.42Å; V158-L209 HydrophobicContact CB-CD1 4.17Å; V158-L209 HydrophobicContact CB-CD2 3.78Å; V158-L209 HydrophobicContact CB-CG 3.75Å; V158-L209 HydrophobicContact CG1-CD2 3.82Å; V158-L209 HydrophobicContact CG1-CG 3.92Å; Y207-L209 PolarHBondContact O-N 3.49Å; L209-Y211 PolarHBondContact O-N 3.4Å; L209-F212 PolarHBondContact O-N 3.41Å; L209-N213 WeakPolarHBondContact O-CB 3.25Å; L209-N213 PolarHBondContact O-N 3.34Å; L209-N213 PolarHBondContact O-ND2 3.15Å
210H97.7Very high97.8Very high121 Ų12140 Ų4056%0.5622%0.216SC*.Hα-helixtrans-56.3-50.8175.1176.871.2000111.3S208 N213 I214S208-H210 PolarHBondContact O-N 3.38Å; S208-H210 PolarHBondContact OG-N 3.45Å; H210-N213 PolarHBondContact O-N 2.79Å; H210-I214 WeakPolarHBondContact NE2-CD1 3.25Å; H210-I214 WeakPolarHBondContact O-CG1 3.2Å; H210-I214 PolarHBondContact O-N 2.92Å; H210-I214 VanDerWaalsContact O-N 3.15Å
211Y98.3Very high97.9Very high29 Ų2934.1 Ų34.111%0.11419%0.19CC..Hα-helixtrans-68.3-41.2179.2-71.9-81.3000112.2L22 D41 V45 S46 S208 L209 N213 I214 F215 L251L22-Y211 HydrophobicContact CD1-CD1 3.94Å; L22-Y211 HydrophobicContact CD1-CE1 4.12Å; D41-Y211 HydrophobicContact CB-CE1 4.49Å; D41-Y211 WeakPolarHBondContact OD2-CE1 3.03Å; D41-Y211 PolarHBondContact OD2-OH 2.94Å; V45-Y211 HydrophobicContact CB-CE2 4.35Å; V45-Y211 HydrophobicContact CG1-CE2 4.1Å; S46-Y211 WeakPolarHBondContact OG-CD1 3.33Å; S46-Y211 WeakPolarHBondContact OG-CE1 3.44Å; S208-Y211 PolarHBondContact O-N 2.85Å; L209-Y211 PolarHBondContact O-N 3.4Å; Y211-N213 VanDerWaalsContact C-N 3.29Å; Y211-N213 PolarHBondContact O-N 3.36Å; Y211-I214 CarbonylContact O-C 3.59Å; Y211-I214 WeakPolarHBondContact O-CA 3.46Å; Y211-I214 WeakPolarHBondContact O-CB 3.37Å; Y211-I214 PolarHBondContact O-N 2.94Å; Y211-F215 HydrophobicContact CD1-CE1 4.45Å; Y211-F215 HydrophobicContact CD1-CZ 4.44Å; Y211-F215 VanDerWaalsContact O-CD1 3.3Å; Y211-F215 WeakPolarHBondContact O-CD1 3.41Å; Y211-F215 WeakPolarHBondContact O-CG 3.3Å; Y211-F215 PolarHBondContact O-N 3.41Å; Y211-L251 HydrophobicContact CD1-CD1 4.31Å; Y211-L251 HydrophobicContact CD2-CD1 3.76Å; Y211-L251 HydrophobicContact CE2-CD1 4.42Å; Y211-L251 HydrophobicContact CG-CD1 3.69Å
212F98.4Very high98Very high1 Ų129.9 Ų29.90%0.00417%0.173CC..Hα-helixtrans-59.3-38.4174.9-96.2-84.5000112.9C148 V158 I160 Y207 S208 L209 I214 F215 T216 L227 V237 L251C148-F212 HydrophobicContact CB-CB 4.36Å; V158-F212 HydrophobicContact CG1-CD2 4.31Å; I160-F212 HydrophobicContact CD1-CE1 4.24Å; I160-F212 HydrophobicContact CD1-CE2 4.03Å; I160-F212 HydrophobicContact CD1-CZ 3.59Å; Y207-F212 HydrophobicContact CD2-CE2 4.16Å; Y207-F212 AromaticContact CG-CE2 3.84Å; Y207-F212 HydrophobicContact CG-CE2 3.84Å; S208-F212 PolarHBondContact O-N 2.84Å; L209-F212 PolarHBondContact O-N 3.41Å; F212-I214 VanDerWaalsContact C-N 3.32Å; F212-I214 PolarHBondContact O-N 2.85Å; F212-F215 PolarHBondContact O-N 3.48Å; F212-T216 VanDerWaalsContact O-CG2 3.23Å; F212-T216 WeakPolarHBondContact O-CG2 3.5Å; F212-T216 PolarHBondContact O-N 3.17Å; F212-T216 PolarHBondContact O-OG1 2.82Å; F212-T216 VanDerWaalsContact O-OG1 3.1Å; F212-L227 HydrophobicContact CE1-CD1 4.12Å; F212-L227 HydrophobicContact CZ-CD1 4.05Å; F212-V237 HydrophobicContact CD1-CG2 4.5Å; F212-V237 HydrophobicContact CE1-CG2 3.81Å; F212-V237 HydrophobicContact CZ-CG2 4.15Å; F212-L251 HydrophobicContact CD2-CD2 3.76Å; F212-L251 HydrophobicContact CE2-CD2 3.79Å
213N98.4Very high98Very high42 Ų4230 Ų3023%0.22517%0.17CC..Hα-helixtrans-67.5-31.2173-77.9-62.1000112.9R149 S152 L209 H210 Y211 T216R149-N213 PolarHBondContact N-OD1 3.37Å; S152-N213 PolarHBondContact OG-ND2 3.49Å; L209-N213 WeakPolarHBondContact O-CB 3.25Å; L209-N213 PolarHBondContact O-N 3.34Å; L209-N213 PolarHBondContact O-ND2 3.15Å; H210-N213 PolarHBondContact O-N 2.79Å; Y211-N213 VanDerWaalsContact C-N 3.29Å; Y211-N213 PolarHBondContact O-N 3.36Å; N213-T216 WeakPolarHBondContact CA-OG1 3.23Å; N213-T216 PolarHBondContact O-OG1 3.22Å; N213-T216 VanDerWaalsContact O-OG1 3.13Å
214I98.1Very high98.1Very high13 Ų1331.8 Ų31.87%0.06718%0.178CC..Hα-helixtrans-67.6-49.6171.3-66.8167.3000110D21 L22 H210 Y211 F212 T216 K217D21-I214 HydrophobicContact CB-CG2 4.23Å; L22-I214 HydrophobicContact CB-CG2 4.12Å; L22-I214 HydrophobicContact CD1-CG2 4.28Å; H210-I214 WeakPolarHBondContact NE2-CD1 3.25Å; H210-I214 WeakPolarHBondContact O-CG1 3.2Å; H210-I214 PolarHBondContact O-N 2.92Å; H210-I214 VanDerWaalsContact O-N 3.15Å; Y211-I214 CarbonylContact O-C 3.59Å; Y211-I214 WeakPolarHBondContact O-CA 3.46Å; Y211-I214 WeakPolarHBondContact O-CB 3.37Å; Y211-I214 PolarHBondContact O-N 2.94Å; F212-I214 VanDerWaalsContact C-N 3.32Å; F212-I214 PolarHBondContact O-N 2.85Å; I214-T216 VanDerWaalsContact C-N 3.29Å; I214-T216 PolarHBondContact O-N 3.12Å; I214-K217 WeakPolarHBondContact O-CB 3.42Å; I214-K217 WeakPolarHBondContact O-CG 3.48Å; I214-K217 PolarHBondContact O-N 3.09Å
215F98.6Very high98.2Very high0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-61.2-37.3-177.5-57.5-17.4000112.5L22 Y211 F212 K217 A218 V237 Y249 L251L22-F215 HydrophobicContact CD1-CE1 4.06Å; L22-F215 HydrophobicContact CD2-CE1 4.24Å; Y211-F215 HydrophobicContact CD1-CE1 4.45Å; Y211-F215 HydrophobicContact CD1-CZ 4.44Å; Y211-F215 VanDerWaalsContact O-CD1 3.3Å; Y211-F215 WeakPolarHBondContact O-CD1 3.41Å; Y211-F215 WeakPolarHBondContact O-CG 3.3Å; Y211-F215 PolarHBondContact O-N 3.41Å; F212-F215 PolarHBondContact O-N 3.48Å; F215-K217 PolarHBondContact O-N 2.96Å; F215-A218 VanDerWaalsContact O-CB 3.29Å; F215-A218 WeakPolarHBondContact O-CB 3.26Å; F215-A218 PolarHBondContact O-N 3.25Å; F215-V237 HydrophobicContact CD2-CB 4.36Å; F215-V237 HydrophobicContact CD2-CG2 3.93Å; F215-V237 HydrophobicContact CE2-CG2 4.49Å; F215-Y249 HydrophobicContact CB-CD1 4.46Å; F215-Y249 HydrophobicContact CB-CD2 3.74Å; F215-Y249 HydrophobicContact CB-CE2 4.05Å; F215-Y249 HydrophobicContact CB-CG 3.95Å; F215-Y249 AromaticContact CD1-CD1 3.29Å; F215-Y249 HydrophobicContact CD1-CD1 3.29Å; F215-Y249 HydrophobicContact CD1-CD2 4.09Å; F215-Y249 AromaticContact CD1-CE1 3.86Å; F215-Y249 HydrophobicContact CD1-CE1 3.86Å; F215-Y249 AromaticContact CD1-CG 3.39Å; F215-Y249 HydrophobicContact CD1-CG 3.39Å; F215-Y249 HydrophobicContact CD2-CG 4.1Å; F215-Y249 AromaticContact CE1-CD1 3.62Å; F215-Y249 HydrophobicContact CE1-CD1 3.62Å; F215-Y249 HydrophobicContact CE1-CE1 4.47Å; F215-Y249 AromaticContact CE1-CG 3.85Å; F215-Y249 HydrophobicContact CE1-CG 3.85Å; F215-Y249 HydrophobicContact CE2-CG 4.47Å; F215-Y249 AromaticContact CG-CD1 3.95Å; F215-Y249 HydrophobicContact CG-CD1 3.95Å; F215-Y249 AromaticContact CG-CD2 3.88Å; F215-Y249 HydrophobicContact CG-CD2 3.88Å; F215-Y249 AromaticContact CG-CG 3.54Å; F215-Y249 HydrophobicContact CG-CG 3.54Å; F215-Y249 HydrophobicContact CZ-CD1 4.48Å; F215-Y249 HydrophobicContact CZ-CG 4.36Å; F215-L251 HydrophobicContact CE2-CB 3.75Å; F215-L251 HydrophobicContact CE2-CD2 3.99Å; F215-L251 HydrophobicContact CE2-CG 4.36Å; F215-L251 HydrophobicContact CZ-CB 4.02Å; F215-L251 HydrophobicContact CZ-CD1 4.45Å; F215-L251 HydrophobicContact CZ-CD2 4.49Å
216T98.5Very high98.2Very high4 Ų428.3 Ų28.33%0.02516%0.155CC..G310 helixtrans-68.8-2177.956.60000113.7L144 Q145 F212 N213 I214 A218 T219L144-T216 HydrophobicContact CD2-CG2 4.22Å; L144-T216 HydrophobicContact CG-CG2 4.04Å; Q145-T216 HydrophobicContact CB-CG2 4.17Å; Q145-T216 PolarHBondContact NE2-O 2.9Å; Q145-T216 VanDerWaalsContact NE2-O 3.12Å; F212-T216 VanDerWaalsContact O-CG2 3.23Å; F212-T216 WeakPolarHBondContact O-CG2 3.5Å; F212-T216 PolarHBondContact O-N 3.17Å; F212-T216 PolarHBondContact O-OG1 2.82Å; F212-T216 VanDerWaalsContact O-OG1 3.1Å; N213-T216 WeakPolarHBondContact CA-OG1 3.23Å; N213-T216 PolarHBondContact O-OG1 3.22Å; N213-T216 VanDerWaalsContact O-OG1 3.13Å; I214-T216 VanDerWaalsContact C-N 3.29Å; I214-T216 PolarHBondContact O-N 3.12Å; T216-A218 PolarHBondContact O-N 3.31Å; T216-T219 VanDerWaalsContact O-CB 3.25Å; T216-T219 WeakPolarHBondContact O-CB 3.05Å; T216-T219 PolarHBondContact O-N 2.93Å; T216-T219 VanDerWaalsContact O-N 3.15Å; T216-T219 PolarHBondContact O-OG1 2.82Å
217K98.1Very high98.3Very high84 Ų8427.6 Ų27.637%0.36515%0.151SC..G310 helixtrans-67.1-16.6164.2-66176.4178.3169.50112.9D21 I214 F215 T219 P220D21-K217 HydrophobicContact CB-CD 4.48Å; D21-K217 IonicContact OD1-NZ 3.81Å; D21-K217 VanDerWaalsContact OD2-CD 3.25Å; D21-K217 WeakPolarHBondContact OD2-CD 3.49Å; D21-K217 WeakPolarHBondContact OD2-CE 3.44Å; D21-K217 IonicContact OD2-NZ 3.08Å; D21-K217 PolarHBondContact OD2-NZ 2.93Å; I214-K217 WeakPolarHBondContact O-CB 3.42Å; I214-K217 WeakPolarHBondContact O-CG 3.48Å; I214-K217 PolarHBondContact O-N 3.09Å; F215-K217 PolarHBondContact O-N 2.96Å; K217-T219 VanDerWaalsContact C-N 3.26Å; K217-T219 PolarHBondContact O-N 3.26Å; K217-P220 WeakPolarHBondContact O-CD 3.32Å
218A98.5Very high98.3Very high0 Ų028.3 Ų28.30%016%0.156CC..G310 helixtrans-75-7.5169.500000114.2A18 F215 T216 P220 L221 F239 I247 Y249A18-A218 HydrophobicContact CB-CB 3.93Å; F215-A218 VanDerWaalsContact O-CB 3.29Å; F215-A218 WeakPolarHBondContact O-CB 3.26Å; F215-A218 PolarHBondContact O-N 3.25Å; T216-A218 PolarHBondContact O-N 3.31Å; A218-P220 VanDerWaalsContact C-N 3.25Å; A218-P220 VanDerWaalsContact O-N 3.08Å; A218-L221 HydrophobicContact CB-CD1 4.07Å; A218-L221 VanDerWaalsContact O-CB 3.27Å; A218-L221 WeakPolarHBondContact O-CB 3.4Å; A218-L221 PolarHBondContact O-N 2.83Å; A218-F239 HydrophobicContact CB-CB 4.22Å; A218-F239 HydrophobicContact CB-CD1 4.07Å; A218-F239 HydrophobicContact CB-CD2 3.42Å; A218-F239 VanDerWaalsContact CB-CD2 3.42Å; A218-F239 HydrophobicContact CB-CE1 4.27Å; A218-F239 HydrophobicContact CB-CE2 3.65Å; A218-F239 HydrophobicContact CB-CG 3.65Å; A218-F239 HydrophobicContact CB-CZ 4.08Å; A218-I247 HydrophobicContact CB-CG2 4.16Å; A218-Y249 HydrophobicContact CB-CE2 3.96Å
219T98.5Very high98.3Very high19 Ų1927.4 Ų27.412%0.11715%0.149CC..G310 helixtrans-46.2-39.2178-62.70000114.2T216 K217 L221 S222T216-T219 VanDerWaalsContact O-CB 3.25Å; T216-T219 WeakPolarHBondContact O-CB 3.05Å; T216-T219 PolarHBondContact O-N 2.93Å; T216-T219 VanDerWaalsContact O-N 3.15Å; T216-T219 PolarHBondContact O-OG1 2.82Å; K217-T219 VanDerWaalsContact C-N 3.26Å; K217-T219 PolarHBondContact O-N 3.26Å; T219-L221 PolarHBondContact O-N 3.31Å; T219-S222 PolarHBondContact O-N 3.04Å
220P98Very high98.2Very high75 Ų7528.3 Ų28.349%0.48716%0.155SC..G310 helixtrans-67.9-11.9177.3-22.436.3000115.9K14 K217 A218K14-P220 HydrophobicContact CD-CB 4.04Å; K14-P220 WeakPolarHBondContact CD-O 3.44Å; K14-P220 WeakPolarHBondContact CE-O 3.39Å; K14-P220 HydrophobicContact CG-CB 4.01Å; K14-P220 PolarHBondContact NZ-O 2.8Å; K217-P220 WeakPolarHBondContact O-CD 3.32Å; A218-P220 VanDerWaalsContact C-N 3.25Å; A218-P220 VanDerWaalsContact O-N 3.08Å
221L97.9Very high98.1Very high18 Ų1827.7 Ų27.79%0.09415%0.152CC..G310 helixtrans-81.1-29.7177.3-67.1166.6000112.4K14 V15 A18 A218 T219 G240 I241 I247K14-L221 HydrophobicContact CB-CD2 3.4Å; K14-L221 HydrophobicContact CB-CG 3.93Å; K14-L221 HydrophobicContact CD-CD2 4.29Å; K14-L221 HydrophobicContact CG-CD2 4.49Å; V15-L221 HydrophobicContact CG2-CD1 4.42Å; V15-L221 HydrophobicContact CG2-CD2 3.87Å; A18-L221 HydrophobicContact CB-CD1 4.11Å; A218-L221 HydrophobicContact CB-CD1 4.07Å; A218-L221 VanDerWaalsContact O-CB 3.27Å; A218-L221 WeakPolarHBondContact O-CB 3.4Å; A218-L221 PolarHBondContact O-N 2.83Å; T219-L221 PolarHBondContact O-N 3.31Å; L221-G240 CarbonylContact C-O 3.59Å; L221-G240 VanDerWaalsContact O-O 3.14Å; L221-I241 HydrophobicContact CB-CG1 4.37Å; L221-I241 HydrophobicContact CD1-CD1 4.42Å; L221-I241 HydrophobicContact CD1-CG1 4.29Å; L221-I241 HydrophobicContact CD2-CG1 4.25Å; L221-I241 HydrophobicContact CD2-CG2 4.32Å; L221-I247 HydrophobicContact CD1-CG2 3.76Å
222S98.3Very high97.6Very high27 Ų2732.9 Ų32.919%0.18918%0.182CC..  trans-147.8137.7-173-152.60000111.9S141 T219 Q224 G240S141-S222 VanDerWaalsContact CB-O 3.26Å; S141-S222 WeakPolarHBondContact CB-O 3.33Å; S141-S222 PolarHBondContact OG-O 3.33Å; T219-S222 PolarHBondContact O-N 3.04Å; S222-Q224 WeakPolarHBondContact CB-O 3.29Å; S222-Q224 PolarHBondContact O-N 3.45Å; S222-Q224 PolarHBondContact OG-O 2.92Å; S222-Q224 VanDerWaalsContact OG-O 3.1Å; S222-G240 WeakPolarHBondContact CB-O 3.21Å; S222-G240 PolarHBondContact OG-O 3Å
223S97.8Very high97.4Very high72 Ų7234.7 Ų34.750%0.50319%0.193SC..SBendtrans-68.5-21.617356.10000112.9P140 S141P140-S223 WeakPolarHBondContact CA-O 3.39Å; S141-S223 PolarHBondContact N-O 2.98Å; S141-S223 PolarHBondContact OG-O 2.85Å
224Q98.3Very high97.3Very high40 Ų4035.3 Ų35.319%0.18720%0.199CC..EExtended strand (participates in β ladder)trans-124.1152.7-178.9-77.3-86.4-42.500110.5M139 E192 S194 S222M139-Q224 VanDerWaalsContact N-OE1 3.14Å; M139-Q224 CarbonylContact O-C 3.53Å; M139-Q224 WeakPolarHBondContact O-CA 3.41Å; M139-Q224 VanDerWaalsContact O-CD 3.26Å; M139-Q224 PolarHBondContact O-OE1 3.12Å; M139-Q224 VanDerWaalsContact O-OE1 3.13Å; E192-Q224 VanDerWaalsContact C-NE2 3.3Å; E192-Q224 HydrophobicContact CB-CG 4.44Å; E192-Q224 PolarHBondContact O-NE2 3.47Å; S194-Q224 PolarHBondContact O-NE2 3.35Å; S194-Q224 VanDerWaalsContact O-NE2 3.08Å; S222-Q224 WeakPolarHBondContact CB-O 3.29Å; S222-Q224 PolarHBondContact O-N 3.45Å; S222-Q224 PolarHBondContact OG-O 2.92Å; S222-Q224 VanDerWaalsContact OG-O 3.1Å
225V98.8Very high97.3Very high1 Ų134.7 Ų34.71%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-126.3143.2173.962.10000108.9R138 M139 L144 V237 E238 F239R138-V225 WeakPolarHBondContact CA-O 3.45Å; M139-V225 HydrophobicContact CG-CG1 3.65Å; M139-V225 PolarHBondContact N-O 3.45Å; M139-V225 VanDerWaalsContact N-O 3.09Å; M139-V225 PolarHBondContact O-N 3.3Å; L144-V225 HydrophobicContact CB-CG1 3.89Å; L144-V225 HydrophobicContact CD2-CB 4.41Å; L144-V225 HydrophobicContact CD2-CG1 3.73Å; L144-V225 HydrophobicContact CD2-CG2 3.9Å; L144-V225 HydrophobicContact CG-CG1 4.46Å; V225-V237 HydrophobicContact CG2-CG1 3.51Å; V225-E238 WeakPolarHBondContact CA-O 3.38Å; V225-E238 WeakPolarHBondContact CG2-O 3.31Å; V225-F239 HydrophobicContact CB-CD1 4.07Å; V225-F239 HydrophobicContact CB-CE1 3.71Å; V225-F239 HydrophobicContact CB-CZ 4.1Å; V225-F239 HydrophobicContact CG2-CD1 4.08Å; V225-F239 HydrophobicContact CG2-CD2 4.26Å; V225-F239 HydrophobicContact CG2-CE1 3.66Å; V225-F239 HydrophobicContact CG2-CE2 3.86Å; V225-F239 HydrophobicContact CG2-CG 4.37Å; V225-F239 HydrophobicContact CG2-CZ 3.54Å
226V98.8Very high97.3Very high14 Ų1435 Ų359%0.08520%0.198CC..EExtended strand (participates in β ladder)trans-107.9121.5173.3-1670000108.9I136 I137 R138 V237 E238I136-V226 HydrophobicContact CG2-CG1 3.63Å; I137-V226 CarbonylContact O-C 3.59Å; I137-V226 WeakPolarHBondContact O-CA 3.4Å; R138-V226 HydrophobicContact CG-CG1 4.23Å; R138-V226 HydrophobicContact CG-CG2 4.17Å; R138-V226 VanDerWaalsContact NH1-CG2 3.26Å; V226-V237 WeakPolarHBondContact O-CA 3.4Å; V226-E238 HydrophobicContact CB-CB 4.21Å; V226-E238 PolarHBondContact N-O 2.85Å; V226-E238 PolarHBondContact O-N 2.79Å
227L98.6Very high97.4Very high0 Ų034.8 Ų34.80%020%0.196CC..EExtended strand (participates in β ladder)trans-106.3118.1173.3-179.265.3000108.8I137 I160 F169 F212 L229 V236 V237I137-L227 HydrophobicContact CB-CB 4.36Å; I137-L227 PolarHBondContact N-O 3.32Å; I137-L227 PolarHBondContact O-N 3.49Å; I160-L227 HydrophobicContact CD1-CD2 4.09Å; I160-L227 HydrophobicContact CG2-CD2 4.23Å; F169-L227 HydrophobicContact CE1-CD2 4.15Å; F169-L227 HydrophobicContact CZ-CD2 4.2Å; F212-L227 HydrophobicContact CE1-CD1 4.12Å; F212-L227 HydrophobicContact CZ-CD1 4.05Å; L227-L229 HydrophobicContact CD1-CD2 3.95Å; L227-L229 HydrophobicContact CD1-CG 4.43Å; L227-L229 HydrophobicContact CD2-CD1 3.98Å; L227-L229 HydrophobicContact CD2-CD2 4.41Å; L227-L229 HydrophobicContact CD2-CG 4.33Å; L227-L229 HydrophobicContact CG-CD1 4.15Å; L227-L229 HydrophobicContact CG-CD2 4.03Å; L227-L229 HydrophobicContact CG-CG 3.96Å; L227-V236 CarbonylContact C-O 3.54Å; L227-V236 WeakPolarHBondContact CA-O 3.46Å; L227-V237 HydrophobicContact CD1-CG2 3.87Å
228S98.6Very high97.4Very high15 Ų1532.8 Ų32.811%0.10519%0.188CC..EExtended strand (participates in β ladder)trans-112.1126.8178.2-450000110.1Y133 C135 V236Y133-S228 VanDerWaalsContact CG-CB 3.5Å; C135-S228 CarbonylContact O-C 3.52Å; C135-S228 WeakPolarHBondContact O-CA 3.28Å; S228-V236 PolarHBondContact N-O 2.97Å; S228-V236 PolarHBondContact O-N 2.9Å
229L98.2Very high97.4Very high0 Ų032.8 Ų32.80%019%0.188CC..EExtended strand (participates in β ladder)trans-133.5142.2-171-56.1171.1000111.3K134 C135 I137 I160 V162 V203 Y207 L227 A235K134-L229 PolarHBondContact N-O 2.88Å; C135-L229 HydrophobicContact CB-CB 4.16Å; C135-L229 PolarHBondContact N-O 3.38Å; C135-L229 PolarHBondContact O-N 3.19Å; I137-L229 HydrophobicContact CD1-CD1 4.02Å; I160-L229 HydrophobicContact CB-CD1 4.3Å; I160-L229 HydrophobicContact CG2-CD1 3.62Å; V162-L229 HydrophobicContact CG2-CD1 3.88Å; V203-L229 HydrophobicContact CG1-CB 4.11Å; Y207-L229 HydrophobicContact CE2-CD2 3.96Å; L227-L229 HydrophobicContact CD1-CD2 3.95Å; L227-L229 HydrophobicContact CD1-CG 4.43Å; L227-L229 HydrophobicContact CD2-CD1 3.98Å; L227-L229 HydrophobicContact CD2-CD2 4.41Å; L227-L229 HydrophobicContact CD2-CG 4.33Å; L227-L229 HydrophobicContact CG-CD1 4.15Å; L227-L229 HydrophobicContact CG-CD2 4.03Å; L227-L229 HydrophobicContact CG-CG 3.96Å; L229-A235 HydrophobicContact CD2-CB 3.54Å
230T96.8Very high97.4Very high19 Ų1933 Ų3312%0.11719%0.194CC..  trans-156.2150170.8-69.80000107.9Y133 K134 V233Y133-T230 WeakPolarHBondContact CA-OG1 3.44Å; K134-T230 HydrophobicContact CG-CG2 3.93Å; K134-T230 PolarHBondContact N-OG1 2.86Å; T230-V233 VanDerWaalsContact CB-CG2 3.5Å; T230-V233 HydrophobicContact CG2-CG2 3.93Å; T230-V233 WeakPolarHBondContact O-CG2 3.32Å
231E94.3Very high97.4Very high108 Ų10829.5 Ų29.551%0.50517%0.171SC..THydrogen-bonded Turntrans-58145.6178.8-66.2-171.2170.200111.9M205 V233M205-E231 HydrophobicContact SD-CB 4.38Å; M205-E231 HydrophobicContact SD-CG 4.34Å; E231-V233 PolarHBondContact O-N 3.41Å
232N89.1Confident97.1Very high139 Ų13934.8 Ų34.874%0.74320%0.196SC*.THydrogen-bonded Turntrans58.213172.2-54.6-49.9000116.2
233V93.9Very high96.9Very high38 Ų3840.2 Ų40.223%0.2322%0.223CC..SBendtrans-125.5156.2173.6-61.70000110.8T131 Y133 T230 E231 A235T131-V233 HydrophobicContact CG2-CB 4.42Å; T131-V233 HydrophobicContact CG2-CG1 4.42Å; T131-V233 HydrophobicContact CG2-CG2 4.02Å; Y133-V233 HydrophobicContact CE1-CG2 4.19Å; T230-V233 VanDerWaalsContact CB-CG2 3.5Å; T230-V233 HydrophobicContact CG2-CG2 3.93Å; T230-V233 WeakPolarHBondContact O-CG2 3.32Å; E231-V233 PolarHBondContact O-N 3.41Å; V233-A235 PolarHBondContact O-N 2.92Å
234P96.4Very high96.8Very high55 Ų5537 Ų3736%0.35720%0.2SC..  trans-57.7138.7176.3-26.135.7000112.7Y133 L251Y133-P234 PolarHBondContact OH-O 3.03Å; P234-L251 CarbonylContact C-O 3.53Å; P234-L251 WeakPolarHBondContact CA-O 3.35Å
235A98.1Very high96.8Very high0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-66.4144.816800000110.2Y207 L229 V233 Y250 L251Y207-A235 HydrophobicContact CD1-CB 4.23Å; Y207-A235 HydrophobicContact CE1-CB 3.55Å; Y207-A235 HydrophobicContact CE2-CB 4.2Å; L229-A235 HydrophobicContact CD2-CB 3.54Å; V233-A235 PolarHBondContact O-N 2.92Å; A235-Y250 VanDerWaalsContact O-CA 3.27Å; A235-Y250 WeakPolarHBondContact O-CA 3.29Å; A235-L251 PolarHBondContact N-O 2.92Å; A235-L251 PolarHBondContact O-N 3.16Å
236V98.6Very high96.8Very high6 Ų637.7 Ų37.74%0.03620%0.203CC..EExtended strand (participates in β ladder)trans-110.1125.4172-1770000109.9Y133 L227 S228 R248 Y249 Y250Y133-V236 HydrophobicContact CE1-CG2 4.07Å; Y133-V236 HydrophobicContact CE2-CG2 3.85Å; Y133-V236 WeakPolarHBondContact OH-CG2 3.37Å; L227-V236 CarbonylContact C-O 3.54Å; L227-V236 WeakPolarHBondContact CA-O 3.46Å; S228-V236 PolarHBondContact N-O 2.97Å; S228-V236 PolarHBondContact O-N 2.9Å; V236-R248 HydrophobicContact CG1-CB 4.34Å; V236-R248 HydrophobicContact CG1-CG 4.17Å; V236-Y249 CarbonylContact C-O 3.58Å; V236-Y249 VanDerWaalsContact CA-O 3.29Å; V236-Y249 WeakPolarHBondContact CA-O 3.43Å; V236-Y250 HydrophobicContact CG1-CE1 4.44Å; V236-Y250 HydrophobicContact CG2-CD1 3.61Å; V236-Y250 HydrophobicContact CG2-CE1 3.48Å; V236-Y250 VanDerWaalsContact CG2-CE1 3.48Å
237V98.8Very high96.8Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-111.7111.4170.5-168.50000108.2L144 F212 F215 V225 V226 L227 F239 R248 Y249L144-V237 HydrophobicContact CD2-CG1 4.18Å; F212-V237 HydrophobicContact CD1-CG2 4.5Å; F212-V237 HydrophobicContact CE1-CG2 3.81Å; F212-V237 HydrophobicContact CZ-CG2 4.15Å; F215-V237 HydrophobicContact CD2-CB 4.36Å; F215-V237 HydrophobicContact CD2-CG2 3.93Å; F215-V237 HydrophobicContact CE2-CG2 4.49Å; V225-V237 HydrophobicContact CG2-CG1 3.51Å; V226-V237 WeakPolarHBondContact O-CA 3.4Å; L227-V237 HydrophobicContact CD1-CG2 3.87Å; V237-F239 HydrophobicContact CG1-CD2 4.37Å; V237-F239 HydrophobicContact CG1-CE2 3.56Å; V237-F239 HydrophobicContact CG1-CZ 4.07Å; V237-R248 CarbonylContact O-C 3.22Å; V237-R248 WeakPolarHBondContact O-CA 3.21Å; V237-Y249 HydrophobicContact CB-CD2 4.37Å; V237-Y249 PolarHBondContact N-O 2.9Å; V237-Y249 PolarHBondContact O-N 2.93Å
238E98.8Very high96.8Very high42 Ų4240.2 Ų40.220%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-112.2131.4-177.1-176.8-175.4104.900111.4V225 V226 I247 R248V225-E238 WeakPolarHBondContact CA-O 3.38Å; V225-E238 WeakPolarHBondContact CG2-O 3.31Å; V226-E238 HydrophobicContact CB-CB 4.21Å; V226-E238 PolarHBondContact N-O 2.85Å; V226-E238 PolarHBondContact O-N 2.79Å; E238-I247 WeakPolarHBondContact CA-O 3.39Å; E238-R248 HydrophobicContact CB-CG 3.97Å; E238-R248 HydrophobicContact CG-CG 3.84Å; E238-R248 IonicContact OE2-CZ 2.72Å; E238-R248 IonicContact OE2-NE 2.8Å; E238-R248 PolarHBondContact OE2-NE 2.89Å; E238-R248 IonicContact OE2-NH2 3.17Å; E238-R248 PolarHBondContact OE2-NH2 2.92Å
239F98.8Very high96.8Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-117.4124.2167.4-59.3-99.1000108.6A218 V225 V237 Y246 I247 Y249A218-F239 HydrophobicContact CB-CB 4.22Å; A218-F239 HydrophobicContact CB-CD1 4.07Å; A218-F239 HydrophobicContact CB-CD2 3.42Å; A218-F239 VanDerWaalsContact CB-CD2 3.42Å; A218-F239 HydrophobicContact CB-CE1 4.27Å; A218-F239 HydrophobicContact CB-CE2 3.65Å; A218-F239 HydrophobicContact CB-CG 3.65Å; A218-F239 HydrophobicContact CB-CZ 4.08Å; V225-F239 HydrophobicContact CB-CD1 4.07Å; V225-F239 HydrophobicContact CB-CE1 3.71Å; V225-F239 HydrophobicContact CB-CZ 4.1Å; V225-F239 HydrophobicContact CG2-CD1 4.08Å; V225-F239 HydrophobicContact CG2-CD2 4.26Å; V225-F239 HydrophobicContact CG2-CE1 3.66Å; V225-F239 HydrophobicContact CG2-CE2 3.86Å; V225-F239 HydrophobicContact CG2-CG 4.37Å; V225-F239 HydrophobicContact CG2-CZ 3.54Å; V237-F239 HydrophobicContact CG1-CD2 4.37Å; V237-F239 HydrophobicContact CG1-CE2 3.56Å; V237-F239 HydrophobicContact CG1-CZ 4.07Å; F239-Y246 WeakPolarHBondContact O-CA 3.22Å; F239-I247 HydrophobicContact CB-CG2 3.84Å; F239-I247 HydrophobicContact CD2-CG2 4.38Å; F239-I247 PolarHBondContact N-O 2.76Å; F239-I247 PolarHBondContact O-N 2.82Å; F239-Y249 HydrophobicContact CD2-CD2 4.38Å; F239-Y249 AromaticContact CD2-CE2 3.99Å; F239-Y249 HydrophobicContact CD2-CE2 3.99Å; F239-Y249 HydrophobicContact CE2-CD2 4.26Å; F239-Y249 HydrophobicContact CE2-CE2 4Å
240G98.1Very high96.8Very high23 Ų2340.9 Ų40.924%0.23721%0.211CC..EExtended strand (participates in β ladder)trans-68.5147.4170.700000110.9L221 S222L221-G240 CarbonylContact C-O 3.59Å; L221-G240 VanDerWaalsContact O-O 3.14Å; S222-G240 WeakPolarHBondContact CB-O 3.21Å; S222-G240 PolarHBondContact OG-O 3Å
241I97.8Very high96.8Very high2 Ų240 Ų401%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-117.383.1175.4-54.8171.4000106.3I11 V15 L50 L52 L221 D243 L244 G245 I247I11-I241 HydrophobicContact CG2-CG2 3.81Å; V15-I241 HydrophobicContact CG2-CD1 3.87Å; L50-I241 HydrophobicContact CD1-CD1 3.59Å; L52-I241 HydrophobicContact CD2-CD1 3.76Å; L221-I241 HydrophobicContact CB-CG1 4.37Å; L221-I241 HydrophobicContact CD1-CD1 4.42Å; L221-I241 HydrophobicContact CD1-CG1 4.29Å; L221-I241 HydrophobicContact CD2-CG1 4.25Å; L221-I241 HydrophobicContact CD2-CG2 4.32Å; I241-D243 PolarHBondContact O-N 3.01Å; I241-L244 HydrophobicContact CG2-CB 4.36Å; I241-L244 HydrophobicContact CG2-CD2 4.24Å; I241-L244 WeakPolarHBondContact O-CA 3.46Å; I241-L244 WeakPolarHBondContact O-CB 3.42Å; I241-L244 PolarHBondContact O-N 2.79Å; I241-G245 PolarHBondContact N-O 3.07Å; I241-G245 PolarHBondContact O-N 2.76Å; I241-G245 VanDerWaalsContact O-N 3.08Å; I241-I247 HydrophobicContact CD1-CB 4.36Å
242E92.8Very high96.9Very high130 Ų13036.7 Ų36.761%0.60720%0.197SC*.THydrogen-bonded Turntrans44.4-137.2-176.4-59.1179.3-171.100111.3L244E242-L244 VanDerWaalsContact C-N 3.28Å
243D92.5Very high97.3Very high141 Ų14131.5 Ų31.575%0.75417%0.171SC*.THydrogen-bonded Turntrans-88.56.5170.9-62.7-37000112.6R53 I241R53-D243 PolarHBondContact NH2-O 2.7Å; I241-D243 PolarHBondContact O-N 3.01Å
244L97.5Very high97.3Very high5 Ų533.7 Ų33.73%0.02618%0.177CC..THydrogen-bonded Turntrans-82.9-37.8-177.1178.863.2000112.1L6 I11 L52 R53 F57 I241 E242L6-L244 HydrophobicContact CD1-CD2 3.87Å; L6-L244 HydrophobicContact CD2-CD1 4.26Å; L6-L244 HydrophobicContact CD2-CD2 3.97Å; I11-L244 HydrophobicContact CG2-CD2 3.99Å; L52-L244 CarbonylContact C-O 3.53Å; L52-L244 HydrophobicContact CB-CD1 4.12Å; L52-L244 HydrophobicContact CB-CD2 4.41Å; L52-L244 HydrophobicContact CB-CG 4.03Å; L52-L244 HydrophobicContact CD1-CD2 4.37Å; L52-L244 HydrophobicContact CD2-CD2 3.76Å; L52-L244 HydrophobicContact CD2-CG 3.82Å; L52-L244 HydrophobicContact CG-CD2 4.4Å; L52-L244 HydrophobicContact CG-CG 4.42Å; R53-L244 PolarHBondContact N-O 2.9Å; F57-L244 HydrophobicContact CD1-CD1 4.47Å; F57-L244 HydrophobicContact CD2-CD1 3.75Å; F57-L244 HydrophobicContact CE1-CD1 4.36Å; F57-L244 HydrophobicContact CE2-CD1 3.64Å; F57-L244 HydrophobicContact CG-CD1 4.18Å; F57-L244 HydrophobicContact CZ-CD1 3.95Å; I241-L244 HydrophobicContact CG2-CB 4.36Å; I241-L244 HydrophobicContact CG2-CD2 4.24Å; I241-L244 WeakPolarHBondContact O-CA 3.46Å; I241-L244 WeakPolarHBondContact O-CB 3.42Å; I241-L244 PolarHBondContact O-N 2.79Å; E242-L244 VanDerWaalsContact C-N 3.28Å
245G98.4Very high96.6Very high6 Ų638.3 Ų38.36%0.06220%0.198CC..EExtended strand (participates in β ladder)trans165.8-148.7-171.400000115.1L51 I241L51-G245 CarbonylContact O-C 3.58Å; L51-G245 WeakPolarHBondContact O-CA 2.94Å; I241-G245 PolarHBondContact N-O 3.07Å; I241-G245 PolarHBondContact O-N 2.76Å; I241-G245 VanDerWaalsContact O-N 3.08Å
246Y98.6Very high95.2Very high48 Ų4844.4 Ų44.419%0.18823%0.226CC..EExtended strand (participates in β ladder)trans-152.4160.7178.158.9-106.7000111.7L51 F239 R248L51-Y246 HydrophobicContact CB-CD2 4.4Å; L51-Y246 HydrophobicContact CB-CE1 4.24Å; L51-Y246 HydrophobicContact CB-CE2 3.93Å; L51-Y246 HydrophobicContact CD2-CE1 3.73Å; L51-Y246 PolarHBondContact N-O 2.87Å; L51-Y246 PolarHBondContact O-N 3.04Å; F239-Y246 WeakPolarHBondContact O-CA 3.22Å; Y246-R248 HydrophobicContact CD2-CG 3.72Å; Y246-R248 HydrophobicContact CE2-CG 3.94Å; Y246-R248 PolarHBondContact OH-NH1 2.6Å
247I98.6Very high93.1Very high0 Ų051.2 Ų51.20%026%0.262CS..EExtended strand (participates in β ladder)trans-118.1131.3161.8-173.8164.8000109.1A18 I19 V48 S49 L50 A218 L221 E238 F239 I241 Y249A18-I247 HydrophobicContact CB-CD1 4.22Å; I19-I247 HydrophobicContact CG2-CD1 3.6Å; V48-I247 HydrophobicContact CG2-CD1 3.76Å; V48-I247 HydrophobicContact CG2-CG1 3.82Å; S49-I247 CarbonylContact O-C 3.56Å; S49-I247 WeakPolarHBondContact O-CA 3.43Å; L50-I247 HydrophobicContact CD1-CB 4.08Å; A218-I247 HydrophobicContact CB-CG2 4.16Å; L221-I247 HydrophobicContact CD1-CG2 3.76Å; E238-I247 WeakPolarHBondContact CA-O 3.39Å; F239-I247 HydrophobicContact CB-CG2 3.84Å; F239-I247 HydrophobicContact CD2-CG2 4.38Å; F239-I247 PolarHBondContact N-O 2.76Å; F239-I247 PolarHBondContact O-N 2.82Å; I241-I247 HydrophobicContact CD1-CB 4.36Å; I247-Y249 HydrophobicContact CD1-CE1 4.16Å; I247-Y249 HydrophobicContact CD1-CE2 4.28Å; I247-Y249 VanDerWaalsContact CD1-OH 3.28Å; I247-Y249 WeakPolarHBondContact CD1-OH 3.39Å; I247-Y249 HydrophobicContact CG1-CE1 4.4Å; I247-Y249 HydrophobicContact CG1-CE2 4.09Å; I247-Y249 HydrophobicContact CG2-CE2 4.37Å
248R98.6Very high90.5Very high67 Ų6758.4 Ų58.425%0.25330%0.3SS..EExtended strand (participates in β ladder)trans-118.3139.6176.9-73.8175.3-177.8164.82.7109.9V48 S49 V236 V237 E238 Y246 Y250V48-R248 CarbonylContact C-O 3.57Å; V48-R248 WeakPolarHBondContact CA-O 3.37Å; S49-R248 PolarHBondContact N-O 2.68Å; S49-R248 PolarHBondContact O-N 3.24Å; V236-R248 HydrophobicContact CG1-CB 4.34Å; V236-R248 HydrophobicContact CG1-CG 4.17Å; V237-R248 CarbonylContact O-C 3.22Å; V237-R248 WeakPolarHBondContact O-CA 3.21Å; E238-R248 HydrophobicContact CB-CG 3.97Å; E238-R248 HydrophobicContact CG-CG 3.84Å; E238-R248 IonicContact OE2-CZ 2.72Å; E238-R248 IonicContact OE2-NE 2.8Å; E238-R248 PolarHBondContact OE2-NE 2.89Å; E238-R248 IonicContact OE2-NH2 3.17Å; E238-R248 PolarHBondContact OE2-NH2 2.92Å; Y246-R248 HydrophobicContact CD2-CG 3.72Å; Y246-R248 HydrophobicContact CE2-CG 3.94Å; Y246-R248 PolarHBondContact OH-NH1 2.6Å; R248-Y250 HydrophobicContact CB-CE2 3.82Å; R248-Y250 WeakPolarHBondContact CD-OH 3.45Å
249Y98.5Very high87.7Confident0 Ų061.1 Ų61.10%033%0.33CS..EExtended strand (participates in β ladder)trans-116.3136169-54.7-84.1000109.4A18 L22 L47 V48 F215 A218 V236 V237 F239 I247A18-Y249 WeakPolarHBondContact CB-OH 3.4Å; A18-Y249 PolarHBondContact O-OH 3.32Å; L22-Y249 HydrophobicContact CD2-CD1 4.04Å; L22-Y249 HydrophobicContact CD2-CE1 4.23Å; L47-Y249 CarbonylContact O-C 3.54Å; L47-Y249 WeakPolarHBondContact O-CA 3.26Å; V48-Y249 HydrophobicContact CB-CD1 4.03Å; V48-Y249 HydrophobicContact CB-CE1 4.12Å; V48-Y249 HydrophobicContact CG2-CD1 4.04Å; V48-Y249 HydrophobicContact CG2-CE1 3.79Å; F215-Y249 HydrophobicContact CB-CD1 4.46Å; F215-Y249 HydrophobicContact CB-CD2 3.74Å; F215-Y249 HydrophobicContact CB-CE2 4.05Å; F215-Y249 HydrophobicContact CB-CG 3.95Å; F215-Y249 AromaticContact CD1-CD1 3.29Å; F215-Y249 HydrophobicContact CD1-CD1 3.29Å; F215-Y249 HydrophobicContact CD1-CD2 4.09Å; F215-Y249 AromaticContact CD1-CE1 3.86Å; F215-Y249 HydrophobicContact CD1-CE1 3.86Å; F215-Y249 AromaticContact CD1-CG 3.39Å; F215-Y249 HydrophobicContact CD1-CG 3.39Å; F215-Y249 HydrophobicContact CD2-CG 4.1Å; F215-Y249 AromaticContact CE1-CD1 3.62Å; F215-Y249 HydrophobicContact CE1-CD1 3.62Å; F215-Y249 HydrophobicContact CE1-CE1 4.47Å; F215-Y249 AromaticContact CE1-CG 3.85Å; F215-Y249 HydrophobicContact CE1-CG 3.85Å; F215-Y249 HydrophobicContact CE2-CG 4.47Å; F215-Y249 AromaticContact CG-CD1 3.95Å; F215-Y249 HydrophobicContact CG-CD1 3.95Å; F215-Y249 AromaticContact CG-CD2 3.88Å; F215-Y249 HydrophobicContact CG-CD2 3.88Å; F215-Y249 AromaticContact CG-CG 3.54Å; F215-Y249 HydrophobicContact CG-CG 3.54Å; F215-Y249 HydrophobicContact CZ-CD1 4.48Å; F215-Y249 HydrophobicContact CZ-CG 4.36Å; A218-Y249 HydrophobicContact CB-CE2 3.96Å; V236-Y249 CarbonylContact C-O 3.58Å; V236-Y249 VanDerWaalsContact CA-O 3.29Å; V236-Y249 WeakPolarHBondContact CA-O 3.43Å; V237-Y249 HydrophobicContact CB-CD2 4.37Å; V237-Y249 PolarHBondContact N-O 2.9Å; V237-Y249 PolarHBondContact O-N 2.93Å; F239-Y249 HydrophobicContact CD2-CD2 4.38Å; F239-Y249 AromaticContact CD2-CE2 3.99Å; F239-Y249 HydrophobicContact CD2-CE2 3.99Å; F239-Y249 HydrophobicContact CE2-CD2 4.26Å; F239-Y249 HydrophobicContact CE2-CE2 4Å; I247-Y249 HydrophobicContact CD1-CE1 4.16Å; I247-Y249 HydrophobicContact CD1-CE2 4.28Å; I247-Y249 VanDerWaalsContact CD1-OH 3.28Å; I247-Y249 WeakPolarHBondContact CD1-OH 3.39Å; I247-Y249 HydrophobicContact CG1-CE1 4.4Å; I247-Y249 HydrophobicContact CG1-CE2 4.09Å; I247-Y249 HydrophobicContact CG2-CE2 4.37Å
250Y97.8Very high84.6Confident29 Ų2972.1 Ų72.111%0.11439%0.389CS..EExtended strand (participates in β ladder)trans-111.4132.6174.2-58.8-100.9000107.7S46 L47 I128 A235 V236 R248S46-Y250 CarbonylContact C-O 3.55Å; S46-Y250 WeakPolarHBondContact CA-O 3.32Å; S46-Y250 WeakPolarHBondContact CB-O 3.41Å; L47-Y250 HydrophobicContact CB-CD2 4.5Å; L47-Y250 HydrophobicContact CD2-CD2 3.48Å; L47-Y250 VanDerWaalsContact CD2-CD2 3.48Å; L47-Y250 HydrophobicContact CD2-CE2 3.92Å; L47-Y250 HydrophobicContact CD2-CG 4.36Å; L47-Y250 PolarHBondContact N-O 3.17Å; L47-Y250 PolarHBondContact O-N 2.96Å; I128-Y250 HydrophobicContact CD1-CD2 4.47Å; I128-Y250 HydrophobicContact CD1-CE2 3.73Å; I128-Y250 HydrophobicContact CG2-CD1 4.47Å; I128-Y250 HydrophobicContact CG2-CE1 3.68Å; A235-Y250 VanDerWaalsContact O-CA 3.27Å; A235-Y250 WeakPolarHBondContact O-CA 3.29Å; V236-Y250 HydrophobicContact CG1-CE1 4.44Å; V236-Y250 HydrophobicContact CG2-CD1 3.61Å; V236-Y250 HydrophobicContact CG2-CE1 3.48Å; V236-Y250 VanDerWaalsContact CG2-CE1 3.48Å; R248-Y250 HydrophobicContact CB-CE2 3.82Å; R248-Y250 WeakPolarHBondContact CD-OH 3.45Å
251L97.8Very high84Confident1 Ų174.6 Ų74.61%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-135.3121.2179.6179.363.7000110.7V45 Y207 Y211 F212 F215 P234 A235V45-L251 HydrophobicContact CG1-CD1 3.94Å; Y207-L251 HydrophobicContact CD1-CD2 4.15Å; Y207-L251 HydrophobicContact CD1-CG 4.17Å; Y207-L251 HydrophobicContact CG-CD2 4.43Å; Y211-L251 HydrophobicContact CD1-CD1 4.31Å; Y211-L251 HydrophobicContact CD2-CD1 3.76Å; Y211-L251 HydrophobicContact CE2-CD1 4.42Å; Y211-L251 HydrophobicContact CG-CD1 3.69Å; F212-L251 HydrophobicContact CD2-CD2 3.76Å; F212-L251 HydrophobicContact CE2-CD2 3.79Å; F215-L251 HydrophobicContact CE2-CB 3.75Å; F215-L251 HydrophobicContact CE2-CD2 3.99Å; F215-L251 HydrophobicContact CE2-CG 4.36Å; F215-L251 HydrophobicContact CZ-CB 4.02Å; F215-L251 HydrophobicContact CZ-CD1 4.45Å; F215-L251 HydrophobicContact CZ-CD2 4.49Å; P234-L251 CarbonylContact C-O 3.53Å; P234-L251 WeakPolarHBondContact CA-O 3.35Å; A235-L251 PolarHBondContact N-O 2.92Å; A235-L251 PolarHBondContact O-N 3.16Å
252A96.2Very high83.2Confident38 Ų3878.4 Ų78.431%0.31442%0.417SS..PPolyproline II helixtrans-61.9138.7173.700000110.4V45V45-A252 HydrophobicContact CG1-CB 4.34Å; V45-A252 PolarHBondContact O-N 3.1Å
253P96.2Very high82.7Confident31 Ų3175.5 Ų75.520%0.20141%0.406CS..PPolyproline II helixtrans-63.9150.5171.729.2-34.6000110.4M205 T206 Y207 I255M205-P253 HydrophobicContact CE-CB 3.3Å; M205-P253 HydrophobicContact CE-CG 3.52Å; T206-P253 CarbonylContact O-C 3.58Å; T206-P253 WeakPolarHBondContact O-CA 3.16Å; Y207-P253 HydrophobicContact CD1-CB 4.33Å; Y207-P253 HydrophobicContact CE1-CB 3.86Å; P253-I255 PolarHBondContact O-N 3.24Å
254K93.5Very high82.1Confident84 Ų8471.6 Ų71.637%0.36539%0.386SS..PPolyproline II helixtrans-68.2129.2164.6-72.8-170.6174.8-176.50107.7S157 T206 E256S157-K254 WeakPolarHBondContact OG-CD 3.47Å; S157-K254 PolarHBondContact OG-NZ 2.88Å; T206-K254 HydrophobicContact CG2-CB 4.16Å; T206-K254 HydrophobicContact CG2-CD 4.41Å; T206-K254 PolarHBondContact O-N 3.19Å; K254-E256 PolarHBondContact O-N 3.47Å
255I82.6Confident81.2Confident152 Ų15275.8 Ų75.878%0.77941%0.408SS*.PPolyproline II helixtrans-72.1117164.5-55.5172.6000104.9P253 D257P253-I255 PolarHBondContact O-N 3.24Å; I255-D257 PolarHBondContact O-N 3Å
256E68.4Low80Confident128 Ų12880.5 Ų80.560%0.59843%0.432SS*.  trans-69.7112.7162.6-71.7177.9-169.400104.9T206 K254 D258T206-E256 PolarHBondContact OG1-OE1 3.45Å; K254-E256 PolarHBondContact O-N 3.47Å; E256-D258 VanDerWaalsContact C-N 3.34Å; E256-D258 PolarHBondContact O-N 3.44Å
257D54.2Low78.7Confident149 Ų14982.8 Ų82.880%0.79745%0.449SS*.  trans-58.1109.9163.4-74.6-31.4000104.3I255 A259I255-D257 PolarHBondContact O-N 3Å; D257-A259 VanDerWaalsContact C-N 3.29Å; D257-A259 PolarHBondContact O-N 2.96Å
258D45.1Very low77.1Confident150 Ų15089.2 Ų89.280%0.80248%0.483SS*.  trans-50.6103.5170.5-80.3-39.3000106.1E256 D260E256-D258 VanDerWaalsContact C-N 3.34Å; E256-D258 PolarHBondContact O-N 3.44Å; D258-D260 PolarHBondContact O-N 3.15Å
259A40.2Very low75.4Confident100 Ų10091 Ų9183%0.82650%0.503SS*.  trans-7189.7169.800000105.7D257D257-A259 VanDerWaalsContact C-N 3.29Å; D257-A259 PolarHBondContact O-N 2.96Å
260D33.9Very low73.3Confident230 Ų23099.3 Ų99.3100%1.2355%0.548SS*.  trans-52.60161.1-79.2-32.8000111.1D258D258-D260 PolarHBondContact O-N 3.15Å

Retrieved 260 of 260 residues in 147.4 ms (Link to these results)

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