A0A060VXD0_ONCMY Loading...

Microtubule-associated protein 1 light chain 3 beta

AlphaFold DB (A0A673WPR2), UniProt , Accession A0A060VXD0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110511247, Length 125 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
1M39.2Very low80Confident232 Ų232109 Ų109100%1.14353%0.526SS*.  0132.30-61.2-121.3-177.700107.5S3M1-S3 PolarHBondContact O-N 2.82Å
2P53.6Low81.5Confident88 Ų88105.8 Ų105.857%0.57152%0.519SS*.  trans-56.2129.6171.720.7-26000108.4E4 I46P2-E4 PolarHBondContact O-N 3.37Å; P2-I46 HydrophobicContact CB-CG2 4.26Å; P2-I46 HydrophobicContact CG-CB 4.47Å; P2-I46 HydrophobicContact CG-CD1 3.87Å; P2-I46 HydrophobicContact CG-CG2 3.86Å
3S57.8Low82.8Confident64 Ų64104.2 Ų104.245%0.44851%0.507SS..  trans-56.2129.2-178.3155.70000110M1 K5M1-S3 PolarHBondContact O-N 2.82Å; S3-K5 PolarHBondContact O-N 3.38Å; S3-K5 VanDerWaalsContact O-N 3.08Å; S3-K5 VanDerWaalsContact OG-CB 3.31Å; S3-K5 WeakPolarHBondContact OG-CB 3.45Å; S3-K5 PolarHBondContact OG-N 3.47Å; S3-K5 VanDerWaalsContact OG-N 3.09Å
4E72Confident83.9Confident199 Ų199105.8 Ų105.893%0.9351%0.513SS*.SBendtrans-58.8-18.5172.2-67.9-176154.200112.8P2P2-E4 PolarHBondContact O-N 3.37Å
5K86.8Confident84.9Confident129 Ų129104.4 Ų104.456%0.56151%0.506SS*.SBendtrans-73131.1178.1-55.9-177.5179.2-177.60112.3S3 Q9 R10S3-K5 PolarHBondContact O-N 3.38Å; S3-K5 VanDerWaalsContact O-N 3.08Å; S3-K5 VanDerWaalsContact OG-CB 3.31Å; S3-K5 WeakPolarHBondContact OG-CB 3.45Å; S3-K5 PolarHBondContact OG-N 3.47Å; S3-K5 VanDerWaalsContact OG-N 3.09Å; K5-Q9 VanDerWaalsContact CA-OE1 3.24Å; K5-Q9 HydrophobicContact CB-CB 3.97Å; K5-R10 HydrophobicContact CB-CG 3.9Å; K5-R10 PolarHBondContact O-NE 3.47Å; K5-R10 VanDerWaalsContact O-NE 3.15Å
6T93.6Very high85.8Confident56 Ų5699.1 Ų99.134%0.34448%0.479SS..  trans-64.6166.4176.168.30000112K8 Q9 R10 E36T6-K8 VanDerWaalsContact C-N 3.31Å; T6-K8 PolarHBondContact O-N 3.47Å; T6-Q9 PolarHBondContact O-N 2.67Å; T6-Q9 VanDerWaalsContact O-N 3.11Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.49Å; T6-Q9 PolarHBondContact OG1-N 3.15Å; T6-Q9 PolarHBondContact OG1-OE1 2.96Å; T6-R10 WeakPolarHBondContact O-CG 3.33Å; T6-R10 PolarHBondContact O-N 3.3Å; T6-R10 VanDerWaalsContact O-N 3.09Å; T6-R10 PolarHBondContact O-NE 3.05Å; T6-E36 WeakPolarHBondContact CB-OE2 3.27Å
7F95.5Very high86.5Confident4 Ų496.9 Ų96.92%0.01847%0.472CS..Hα-helixtrans-57-44.1176-177.8-114.3000112.2Q9 R10 R11 R16 I34 E36 K51 F108 Y110F7-Q9 PolarHBondContact O-N 3.48Å; F7-R10 PolarHBondContact O-N 3.17Å; F7-R11 HydrophobicContact CD2-CG 4.25Å; F7-R11 HydrophobicContact CE2-CB 4.41Å; F7-R11 HydrophobicContact CE2-CG 3.68Å; F7-R11 HydrophobicContact CZ-CB 4.44Å; F7-R11 HydrophobicContact CZ-CG 4.06Å; F7-R11 PolarHBondContact O-N 2.9Å; F7-R16 HydrophobicContact CD1-CG 4.37Å; F7-R16 HydrophobicContact CE1-CG 3.62Å; F7-R16 HydrophobicContact CZ-CG 4.04Å; F7-I34 HydrophobicContact CB-CG2 3.82Å; F7-I34 HydrophobicContact CD1-CD1 3.61Å; F7-I34 HydrophobicContact CD1-CG1 3.69Å; F7-I34 HydrophobicContact CD1-CG2 4.37Å; F7-I34 HydrophobicContact CD2-CD1 4.3Å; F7-I34 HydrophobicContact CE1-CD1 3.73Å; F7-I34 HydrophobicContact CE1-CG1 4.04Å; F7-I34 HydrophobicContact CE2-CD1 4.43Å; F7-I34 HydrophobicContact CG-CD1 3.9Å; F7-I34 HydrophobicContact CG-CG1 4.27Å; F7-I34 HydrophobicContact CG-CG2 4.26Å; F7-I34 HydrophobicContact CZ-CD1 4.16Å; F7-E36 PolarHBondContact N-OE1 3.46Å; F7-E36 PolarHBondContact N-OE2 2.98Å; F7-K51 HydrophobicContact CD2-CD 4.25Å; F7-K51 HydrophobicContact CE2-CD 3.7Å; F7-K51 HydrophobicContact CE2-CG 4.47Å; F7-K51 HydrophobicContact CZ-CD 4.18Å; F7-F108 AromaticContact CE1-CD2 3.89Å; F7-F108 HydrophobicContact CE1-CD2 3.89Å; F7-F108 AromaticContact CE1-CE2 3.66Å; F7-F108 HydrophobicContact CE1-CE2 3.66Å; F7-F108 HydrophobicContact CE1-CG 4.48Å; F7-F108 HydrophobicContact CE1-CZ 4.08Å; F7-F108 AromaticContact CZ-CE2 3.96Å; F7-F108 HydrophobicContact CZ-CE2 3.96Å; F7-F108 HydrophobicContact CZ-CZ 4.08Å; F7-Y110 HydrophobicContact CD1-CE1 4.05Å; F7-Y110 WeakPolarHBondContact CD1-OH 3.46Å
8K96.1Very high87.2Confident83 Ų8395 Ų9536%0.36147%0.465SS..Hα-helixtrans-64.1-25.2176.6-67.5-167.1175.3-173.40113.8T6 D104 Y110T6-K8 VanDerWaalsContact C-N 3.31Å; T6-K8 PolarHBondContact O-N 3.47Å; K8-D104 WeakPolarHBondContact CE-OD1 3.47Å; K8-D104 IonicContact NZ-OD1 3.02Å; K8-D104 PolarHBondContact NZ-OD1 3.09Å; K8-D104 IonicContact NZ-OD2 3.29Å; K8-D104 PolarHBondContact NZ-OD2 3.4Å; K8-Y110 HydrophobicContact CD-CE1 4.27Å; K8-Y110 VanDerWaalsContact CE-CE2 3.44Å; K8-Y110 HydrophobicContact CG-CE1 3.77Å
9Q95.1Very high87.7Confident131 Ų13192.4 Ų92.461%0.61245%0.453SS*.Hα-helixtrans-83.6-22.1174.3-72.3174-33.500113K5 T6 F7K5-Q9 VanDerWaalsContact CA-OE1 3.24Å; K5-Q9 HydrophobicContact CB-CB 3.97Å; T6-Q9 PolarHBondContact O-N 2.67Å; T6-Q9 VanDerWaalsContact O-N 3.11Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.49Å; T6-Q9 PolarHBondContact OG1-N 3.15Å; T6-Q9 PolarHBondContact OG1-OE1 2.96Å; F7-Q9 PolarHBondContact O-N 3.48Å
10R94.8Very high88.3Confident112 Ų11288.3 Ų88.342%0.42343%0.434SS..Hα-helixtrans-91.4-19-179.5-69.6-178.1-70.7157.7-3.8113.1K5 T6 F7 E36K5-R10 HydrophobicContact CB-CG 3.9Å; K5-R10 PolarHBondContact O-NE 3.47Å; K5-R10 VanDerWaalsContact O-NE 3.15Å; T6-R10 WeakPolarHBondContact O-CG 3.33Å; T6-R10 PolarHBondContact O-N 3.3Å; T6-R10 VanDerWaalsContact O-N 3.09Å; T6-R10 PolarHBondContact O-NE 3.05Å; F7-R10 PolarHBondContact O-N 3.17Å; R10-E36 IonicContact NH2-OE1 3.72Å; R10-E36 PolarHBondContact NH2-OE1 3.05Å
11R95.8Very high88.7Confident101 Ų10190.9 Ų90.938%0.38144%0.439SS..SBendtrans-133.7133.9-176.9-66.3-65.7-177.8148.7-2110.4F7 R16F7-R11 HydrophobicContact CD2-CG 4.25Å; F7-R11 HydrophobicContact CE2-CB 4.41Å; F7-R11 HydrophobicContact CE2-CG 3.68Å; F7-R11 HydrophobicContact CZ-CB 4.44Å; F7-R11 HydrophobicContact CZ-CG 4.06Å; F7-R11 PolarHBondContact O-N 2.9Å; R11-R16 HydrophobicContact CB-CG 3.76Å; R11-R16 PolarHBondContact O-NE 3.37Å
12T98.2Very high91.5Very high71 Ų7183 Ų8344%0.43640%0.401SS..  trans-65.6166.3175.3800000110.5E14 Q15 R16T12-E14 VanDerWaalsContact C-N 3.34Å; T12-E14 VanDerWaalsContact CB-OE2 3.27Å; T12-E14 WeakPolarHBondContact CB-OE2 3.36Å; T12-E14 PolarHBondContact OG1-OE2 3.37Å; T12-Q15 VanDerWaalsContact N-OE1 3.12Å; T12-Q15 PolarHBondContact O-N 3.13Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.41Å; T12-Q15 PolarHBondContact OG1-N 2.99Å; T12-R16 WeakPolarHBondContact O-CG 3.3Å; T12-R16 PolarHBondContact O-N 3.34Å; T12-R16 VanDerWaalsContact O-N 3.17Å; T12-R16 PolarHBondContact O-NE 2.97Å
13F98.3Very high93.6Very high84 Ų8480.7 Ų80.737%0.36838%0.383SS..Hα-helixtrans-60.7-45.2177.8179-96.3000111.9Q15 R16 V17 D105 D106F13-Q15 VanDerWaalsContact C-N 3.32Å; F13-Q15 PolarHBondContact O-N 3.45Å; F13-R16 VanDerWaalsContact CA-NH2 3.34Å; F13-R16 WeakPolarHBondContact O-CB 3.38Å; F13-R16 PolarHBondContact O-N 2.61Å; F13-V17 HydrophobicContact CD1-CG2 4.05Å; F13-V17 HydrophobicContact CE1-CG2 3.59Å; F13-V17 HydrophobicContact CE2-CG2 4.3Å; F13-V17 HydrophobicContact CZ-CG2 3.72Å; F13-V17 WeakPolarHBondContact O-CG2 3.4Å; F13-V17 PolarHBondContact O-N 3.37Å; F13-D105 HydrophobicContact CE2-CB 4.05Å; F13-D105 HydrophobicContact CZ-CB 4.23Å; F13-D106 HydrophobicContact CD2-CB 4.05Å; F13-D106 HydrophobicContact CE2-CB 3.8Å
14E98.5Very high95.4Very high127 Ų12783 Ų8359%0.59338%0.382SS*.Hα-helixtrans-62.3-41-178.5-55.171.4-153.400111.2T12 R16 V17 D18T12-E14 VanDerWaalsContact C-N 3.34Å; T12-E14 VanDerWaalsContact CB-OE2 3.27Å; T12-E14 WeakPolarHBondContact CB-OE2 3.36Å; T12-E14 PolarHBondContact OG1-OE2 3.37Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.24Å; E14-V17 PolarHBondContact O-N 2.98Å; E14-D18 WeakPolarHBondContact O-CB 3.34Å; E14-D18 PolarHBondContact O-N 3.42Å
15Q98.4Very high96.6Very high85 Ų8579.9 Ų79.940%0.39737%0.368SS..Hα-helixtrans-63.6-38.2175-70.9178-26.300112.2T12 F13 D19T12-Q15 VanDerWaalsContact N-OE1 3.12Å; T12-Q15 PolarHBondContact O-N 3.13Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.41Å; T12-Q15 PolarHBondContact OG1-N 2.99Å; F13-Q15 VanDerWaalsContact C-N 3.32Å; F13-Q15 PolarHBondContact O-N 3.45Å; Q15-D19 VanDerWaalsContact O-CB 3.3Å; Q15-D19 WeakPolarHBondContact O-CB 3.34Å; Q15-D19 PolarHBondContact O-N 3.47Å
16R98.6Very high97.2Very high20 Ų2079.8 Ų79.88%0.07537%0.369CS..Hα-helixtrans-69.6-42.9179.1-69.3179.2-72124.9-3.6111.3F7 R11 T12 F13 E14 D18 D19 V20 D104 D106 F108 Y110F7-R16 HydrophobicContact CD1-CG 4.37Å; F7-R16 HydrophobicContact CE1-CG 3.62Å; F7-R16 HydrophobicContact CZ-CG 4.04Å; R11-R16 HydrophobicContact CB-CG 3.76Å; R11-R16 PolarHBondContact O-NE 3.37Å; T12-R16 WeakPolarHBondContact O-CG 3.3Å; T12-R16 PolarHBondContact O-N 3.34Å; T12-R16 VanDerWaalsContact O-N 3.17Å; T12-R16 PolarHBondContact O-NE 2.97Å; F13-R16 VanDerWaalsContact CA-NH2 3.34Å; F13-R16 WeakPolarHBondContact O-CB 3.38Å; F13-R16 PolarHBondContact O-N 2.61Å; E14-R16 VanDerWaalsContact C-N 3.32Å; E14-R16 PolarHBondContact O-N 3.24Å; R16-D18 VanDerWaalsContact C-N 3.34Å; R16-D18 PolarHBondContact O-N 3.39Å; R16-D19 PolarHBondContact O-N 3.06Å; R16-V20 WeakPolarHBondContact O-CG2 3.28Å; R16-V20 PolarHBondContact O-N 3.41Å; R16-D104 IonicContact NH1-OD1 2.67Å; R16-D106 HydrophobicContact CB-CB 3.85Å; R16-D106 WeakPolarHBondContact CB-OD2 3.26Å; R16-D106 VanDerWaalsContact CD-OD2 3.28Å; R16-D106 WeakPolarHBondContact CD-OD2 3.41Å; R16-D106 IonicContact CZ-OD2 3.3Å; R16-D106 IonicContact NE-OD2 3.49Å; R16-D106 IonicContact NH1-OD2 3.15Å; R16-D106 PolarHBondContact NH1-OD2 2.53Å; R16-F108 HydrophobicContact CB-CD2 4.27Å; R16-F108 HydrophobicContact CB-CE2 4.18Å; R16-Y110 WeakPolarHBondContact CD-OH 3.5Å
17V98.6Very high97.4Very high61 Ų6180.3 Ų80.337%0.3737%0.367SS..Hα-helixtrans-58.8-46.3174171.90000111F13 E14 V20 R21 D106F13-V17 HydrophobicContact CD1-CG2 4.05Å; F13-V17 HydrophobicContact CE1-CG2 3.59Å; F13-V17 HydrophobicContact CE2-CG2 4.3Å; F13-V17 HydrophobicContact CZ-CG2 3.72Å; F13-V17 WeakPolarHBondContact O-CG2 3.4Å; F13-V17 PolarHBondContact O-N 3.37Å; E14-V17 PolarHBondContact O-N 2.98Å; V17-V20 PolarHBondContact O-N 3.09Å; V17-R21 PolarHBondContact O-N 2.97Å; V17-D106 HydrophobicContact CG2-CB 4.21Å
18D98.4Very high97.4Very high63 Ų6384.1 Ų84.134%0.33739%0.393SS..Hα-helixtrans-66.7-42.3179.1-165.443.8000112.2E14 R16 V20 R21 L22E14-D18 WeakPolarHBondContact O-CB 3.34Å; E14-D18 PolarHBondContact O-N 3.42Å; R16-D18 VanDerWaalsContact C-N 3.34Å; R16-D18 PolarHBondContact O-N 3.39Å; D18-V20 VanDerWaalsContact C-N 3.3Å; D18-V20 PolarHBondContact O-N 3.06Å; D18-R21 PolarHBondContact O-N 3.08Å; D18-R21 IonicContact OD1-CZ 2.9Å; D18-R21 VanDerWaalsContact OD1-CZ 3.3Å; D18-R21 IonicContact OD1-NE 2.87Å; D18-R21 PolarHBondContact OD1-NE 2.9Å; D18-R21 VanDerWaalsContact OD1-NE 3.15Å; D18-R21 IonicContact OD1-NH2 2.64Å; D18-R21 PolarHBondContact OD1-NH2 2.86Å; D18-L22 WeakPolarHBondContact O-CG 3.38Å; D18-L22 PolarHBondContact O-N 2.94Å
19D97.8Very high97.4Very high45 Ų4585.4 Ų85.424%0.24140%0.404CS..Hα-helixtrans-55.6-45173.5-81.4-7.5000111Q15 R16 I23 F108Q15-D19 VanDerWaalsContact O-CB 3.3Å; Q15-D19 WeakPolarHBondContact O-CB 3.34Å; Q15-D19 PolarHBondContact O-N 3.47Å; R16-D19 PolarHBondContact O-N 3.06Å; D19-I23 WeakPolarHBondContact O-CB 3.4Å; D19-I23 WeakPolarHBondContact O-CG2 3.32Å; D19-I23 PolarHBondContact O-N 3.15Å; D19-F108 HydrophobicContact CB-CE2 4.25Å; D19-F108 HydrophobicContact CB-CZ 4.21Å
20V98.3Very high97.6Very high11 Ų1183 Ų837%0.06739%0.391CS..Hα-helixtrans-66-45.1178.3172.20000111.4R16 V17 D18 L22 I23 R24 P32 D106 F108R16-V20 WeakPolarHBondContact O-CG2 3.28Å; R16-V20 PolarHBondContact O-N 3.41Å; V17-V20 PolarHBondContact O-N 3.09Å; D18-V20 VanDerWaalsContact C-N 3.3Å; D18-V20 PolarHBondContact O-N 3.06Å; V20-L22 PolarHBondContact O-N 3.28Å; V20-I23 WeakPolarHBondContact O-CG2 3.48Å; V20-I23 PolarHBondContact O-N 2.8Å; V20-R24 HydrophobicContact CG1-CG 4.07Å; V20-R24 WeakPolarHBondContact O-CB 3.36Å; V20-R24 WeakPolarHBondContact O-CG 3.49Å; V20-R24 PolarHBondContact O-N 3.5Å; V20-P32 HydrophobicContact CG1-CG 4.32Å; V20-P32 HydrophobicContact CG2-CG 4.43Å; V20-D106 WeakPolarHBondContact CG2-O 3.39Å; V20-F108 HydrophobicContact CG2-CD1 4.21Å; V20-F108 HydrophobicContact CG2-CD2 3.3Å; V20-F108 HydrophobicContact CG2-CE1 4.2Å; V20-F108 HydrophobicContact CG2-CE2 3.3Å; V20-F108 HydrophobicContact CG2-CG 3.77Å; V20-F108 HydrophobicContact CG2-CZ 3.76Å
21R97.9Very high97.7Very high143 Ų14378.1 Ų78.154%0.5437%0.373SS..Hα-helixtrans-54.8-54.8177.6179.7179.567.71390.5110.6V17 D18 I23 R24 E25V17-R21 PolarHBondContact O-N 2.97Å; D18-R21 PolarHBondContact O-N 3.08Å; D18-R21 IonicContact OD1-CZ 2.9Å; D18-R21 VanDerWaalsContact OD1-CZ 3.3Å; D18-R21 IonicContact OD1-NE 2.87Å; D18-R21 PolarHBondContact OD1-NE 2.9Å; D18-R21 VanDerWaalsContact OD1-NE 3.15Å; D18-R21 IonicContact OD1-NH2 2.64Å; D18-R21 PolarHBondContact OD1-NH2 2.86Å; R21-I23 PolarHBondContact O-N 2.84Å; R21-R24 PolarHBondContact O-N 3.33Å; R21-E25 WeakPolarHBondContact O-CG 3.31Å; R21-E25 PolarHBondContact O-N 3.11Å; R21-E25 VanDerWaalsContact O-N 3.08Å
22L97.9Very high97.9Very high66 Ų6673.4 Ų73.435%0.34636%0.356SS..Hα-helixtrans-61.7-42.9-178.5-67.9171.9000112D18 V20 E25 Q26D18-L22 WeakPolarHBondContact O-CG 3.38Å; D18-L22 PolarHBondContact O-N 2.94Å; V20-L22 PolarHBondContact O-N 3.28Å; L22-E25 PolarHBondContact O-N 3.39Å; L22-Q26 WeakPolarHBondContact O-CG 3.38Å; L22-Q26 PolarHBondContact O-N 3.26Å; L22-Q26 VanDerWaalsContact O-N 3.13Å
23I97.1Very high97.9Very high40 Ų4070 Ų7021%0.20534%0.335CS..Hα-helixtrans-73.9-31-176-15460.1000112.6D19 V20 R21 Q26 H27 P32 L53D19-I23 WeakPolarHBondContact O-CB 3.4Å; D19-I23 WeakPolarHBondContact O-CG2 3.32Å; D19-I23 PolarHBondContact O-N 3.15Å; V20-I23 WeakPolarHBondContact O-CG2 3.48Å; V20-I23 PolarHBondContact O-N 2.8Å; R21-I23 PolarHBondContact O-N 2.84Å; I23-Q26 PolarHBondContact O-N 3.44Å; I23-H27 VanDerWaalsContact CD1-CD2 3.49Å; I23-H27 WeakPolarHBondContact CD1-CD2 3.49Å; I23-H27 WeakPolarHBondContact O-CB 3.37Å; I23-H27 PolarHBondContact O-N 2.79Å; I23-P32 HydrophobicContact CG2-CB 4.14Å; I23-L53 HydrophobicContact CD1-CD1 4Å; I23-L53 HydrophobicContact CG1-CD1 3.86Å; I23-L53 HydrophobicContact CG1-CD2 3.72Å; I23-L53 HydrophobicContact CG1-CG 4.36Å; I23-L53 HydrophobicContact CG2-CD2 4.44Å
24R96.4Very high97.9Very high111 Ų11166 Ų6642%0.41932%0.318SS..Hα-helixtrans-74.7-31.1175.2-70.8-164.372.3-164.61.3112.4V20 R21 H27 P28V20-R24 HydrophobicContact CG1-CG 4.07Å; V20-R24 WeakPolarHBondContact O-CB 3.36Å; V20-R24 WeakPolarHBondContact O-CG 3.49Å; V20-R24 PolarHBondContact O-N 3.5Å; R21-R24 PolarHBondContact O-N 3.33Å; R24-H27 CarbonylContact O-C 3.54Å; R24-P28 VanDerWaalsContact O-CA 3.29Å; R24-P28 WeakPolarHBondContact O-CA 3.48Å
25E97.1Very high97.8Very high134 Ų13460 Ų6063%0.62629%0.289SS*.Hα-helixtrans-63.6-42.7168.9-73.9172.8-174.400111.4R21 L22R21-E25 WeakPolarHBondContact O-CG 3.31Å; R21-E25 PolarHBondContact O-N 3.11Å; R21-E25 VanDerWaalsContact O-N 3.08Å; L22-E25 PolarHBondContact O-N 3.39Å
26Q98Very high97.7Very high128 Ų12857.3 Ų57.360%0.59828%0.277SS*.Hα-helixtrans-76.6-31.1-179.8-68.4174.824.600113.6L22 I23L22-Q26 WeakPolarHBondContact O-CG 3.38Å; L22-Q26 PolarHBondContact O-N 3.26Å; L22-Q26 VanDerWaalsContact O-N 3.13Å; I23-Q26 PolarHBondContact O-N 3.44Å
27H97.7Very high97.5Very high66 Ų6659.6 Ų59.631%0.30629%0.285SS..  trans-135.770-174.2-57.4-48.3000111.4I23 R24 N29 K30 L53I23-H27 VanDerWaalsContact CD1-CD2 3.49Å; I23-H27 WeakPolarHBondContact CD1-CD2 3.49Å; I23-H27 WeakPolarHBondContact O-CB 3.37Å; I23-H27 PolarHBondContact O-N 2.79Å; R24-H27 CarbonylContact O-C 3.54Å; H27-N29 PolarHBondContact O-N 3.06Å; H27-N29 VanDerWaalsContact O-N 3.17Å; H27-K30 HydrophobicContact CB-CB 4.03Å; H27-K30 HydrophobicContact CB-CD 4.16Å; H27-K30 HydrophobicContact CB-CG 4.14Å; H27-K30 PolarHBondContact O-N 3.17Å; H27-L53 VanDerWaalsContact CD2-CD1 3.43Å; H27-L53 WeakPolarHBondContact CD2-CD1 3.34Å
28P96.6Very high97.3Very high85 Ų8560.2 Ų60.255%0.55228%0.282SS*.THydrogen-bonded Turntrans-61.4-29.9-171.922.3-34.2000114.1R24 K30R24-P28 VanDerWaalsContact O-CA 3.29Å; R24-P28 WeakPolarHBondContact O-CA 3.48Å; P28-K30 VanDerWaalsContact C-N 3.32Å; P28-K30 PolarHBondContact O-N 2.89Å
29N96.8Very high96.8Very high110 Ų11067.2 Ų67.259%0.58831%0.309SS*.THydrogen-bonded Turntrans-94.318.2-179.2-52.9-18.5000112.8H27 D56H27-N29 PolarHBondContact O-N 3.06Å; H27-N29 VanDerWaalsContact O-N 3.17Å; N29-D56 PolarHBondContact O-N 2.64Å; N29-D56 VanDerWaalsContact O-N 3.1Å
30K98.1Very high96.3Very high80 Ų8066.9 Ų66.935%0.34832%0.316SS..EExtended strand (participates in β ladder)trans-124.2141.6178-60-166.5-175-178.50111.2H27 P28 L53 V54H27-K30 HydrophobicContact CB-CB 4.03Å; H27-K30 HydrophobicContact CB-CD 4.16Å; H27-K30 HydrophobicContact CB-CG 4.14Å; H27-K30 PolarHBondContact O-N 3.17Å; P28-K30 VanDerWaalsContact C-N 3.32Å; P28-K30 PolarHBondContact O-N 2.89Å; K30-L53 HydrophobicContact CB-CB 4.18Å; K30-L53 HydrophobicContact CD-CB 3.75Å; K30-L53 HydrophobicContact CD-CD1 4.45Å; K30-V54 CarbonylContact C-O 3.55Å; K30-V54 WeakPolarHBondContact CA-O 3.41Å
31I98.3Very high96Very high10 Ų1066.6 Ų66.65%0.05131%0.314CS..EExtended strand (participates in β ladder)trans-95.5123.9177.8-55.7-50.7000109.1V33 L53 V54 I95 Y99I31-V33 HydrophobicContact CB-CG2 4.4Å; I31-V33 HydrophobicContact CG2-CG2 3.87Å; I31-V33 PolarHBondContact O-N 2.87Å; I31-L53 WeakPolarHBondContact O-CA 3.34Å; I31-V54 PolarHBondContact N-O 2.82Å; I31-V54 PolarHBondContact O-N 2.97Å; I31-I95 HydrophobicContact CB-CG2 4.45Å; I31-I95 HydrophobicContact CG1-CG2 3.98Å; I31-Y99 HydrophobicContact CD1-CD1 4.26Å; I31-Y99 HydrophobicContact CD1-CG 4.21Å; I31-Y99 HydrophobicContact CG2-CD2 3.29Å; I31-Y99 HydrophobicContact CG2-CE2 4Å; I31-Y99 HydrophobicContact CG2-CG 3.68Å
32P98.3Very high95.6Very high1 Ų168.4 Ų68.41%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-78.3115.1174.432.3-33.2000110.4V20 I23 L53 Y99 F108 L109V20-P32 HydrophobicContact CG1-CG 4.32Å; V20-P32 HydrophobicContact CG2-CG 4.43Å; I23-P32 HydrophobicContact CG2-CB 4.14Å; P32-L53 HydrophobicContact CB-CD2 4.21Å; P32-Y99 HydrophobicContact CG-CE2 4.23Å; P32-F108 HydrophobicContact CB-CD1 3.66Å; P32-F108 HydrophobicContact CB-CE1 3.66Å; P32-F108 HydrophobicContact CG-CD1 4.38Å; P32-L109 PolarHBondContact O-N 2.78Å
33V98.3Very high95.3Very high0 Ų070.9 Ų70.90%034%0.336CS..EExtended strand (participates in β ladder)trans-122.8132.9-176-167.70000110.5I31 I35 F52 V54 I95 L109 M111I31-V33 HydrophobicContact CB-CG2 4.4Å; I31-V33 HydrophobicContact CG2-CG2 3.87Å; I31-V33 PolarHBondContact O-N 2.87Å; V33-I35 HydrophobicContact CG1-CD1 4.07Å; V33-I35 HydrophobicContact CG1-CG1 3.67Å; V33-F52 HydrophobicContact CB-CB 4.42Å; V33-F52 PolarHBondContact N-O 3.48Å; V33-F52 PolarHBondContact O-N 3.4Å; V33-V54 HydrophobicContact CB-CG2 4.41Å; V33-V54 HydrophobicContact CG2-CB 4.44Å; V33-V54 HydrophobicContact CG2-CG2 3.84Å; V33-I95 HydrophobicContact CG2-CD1 3.74Å; V33-L109 CarbonylContact C-O 3.55Å; V33-L109 WeakPolarHBondContact CA-O 3.14Å; V33-L109 HydrophobicContact CG1-CB 4.45Å; V33-L109 HydrophobicContact CG1-CG 4.47Å; V33-L109 WeakPolarHBondContact CG1-O 3.44Å; V33-L109 HydrophobicContact CG2-CB 4.42Å; V33-L109 HydrophobicContact CG2-CD2 4.39Å; V33-M111 HydrophobicContact CG1-CE 4.24Å; V33-M111 HydrophobicContact CG1-CG 4.27Å; V33-M111 HydrophobicContact CG1-SD 3.98Å
34I98.3Very high95.1Very high1 Ų169.3 Ų69.31%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-102.9119.1170.3-55.6-62.2000108.3F7 E36 T50 K51 F108 L109 Y110 M111F7-I34 HydrophobicContact CB-CG2 3.82Å; F7-I34 HydrophobicContact CD1-CD1 3.61Å; F7-I34 HydrophobicContact CD1-CG1 3.69Å; F7-I34 HydrophobicContact CD1-CG2 4.37Å; F7-I34 HydrophobicContact CD2-CD1 4.3Å; F7-I34 HydrophobicContact CE1-CD1 3.73Å; F7-I34 HydrophobicContact CE1-CG1 4.04Å; F7-I34 HydrophobicContact CE2-CD1 4.43Å; F7-I34 HydrophobicContact CG-CD1 3.9Å; F7-I34 HydrophobicContact CG-CG1 4.27Å; F7-I34 HydrophobicContact CG-CG2 4.26Å; F7-I34 HydrophobicContact CZ-CD1 4.16Å; I34-E36 HydrophobicContact CG2-CG 3.94Å; I34-T50 CarbonylContact C-O 3.52Å; I34-T50 WeakPolarHBondContact CA-O 3.43Å; I34-K51 HydrophobicContact CD1-CB 4.26Å; I34-K51 HydrophobicContact CD1-CD 4.16Å; I34-K51 HydrophobicContact CD1-CG 3.66Å; I34-F108 HydrophobicContact CD1-CD1 3.77Å; I34-F108 HydrophobicContact CD1-CE1 3.85Å; I34-F108 HydrophobicContact CD1-CG 4.35Å; I34-F108 HydrophobicContact CD1-CZ 4.49Å; I34-F108 HydrophobicContact CG1-CB 4.06Å; I34-F108 HydrophobicContact CG1-CD1 3.64Å; I34-F108 HydrophobicContact CG1-CE1 4.26Å; I34-F108 HydrophobicContact CG1-CG 3.89Å; I34-L109 PolarHBondContact N-O 3.16Å; I34-Y110 HydrophobicContact CB-CD1 3.73Å; I34-Y110 HydrophobicContact CB-CE1 3.81Å; I34-Y110 HydrophobicContact CB-CG 4.44Å; I34-Y110 HydrophobicContact CG1-CD1 4.21Å; I34-Y110 HydrophobicContact CG1-CE1 3.81Å; I34-Y110 HydrophobicContact CG2-CD1 3.91Å; I34-Y110 HydrophobicContact CG2-CE1 3.93Å; I34-M111 PolarHBondContact O-N 3.02Å
35I97.4Very high95Very high0 Ų066.7 Ų66.70%033%0.325CS..EExtended strand (participates in β ladder)trans-121.1111.8179.4-52.2177.1000108.3V33 L47 T50 F52 L63 I67 L81 M111 Y113V33-I35 HydrophobicContact CG1-CD1 4.07Å; V33-I35 HydrophobicContact CG1-CG1 3.67Å; I35-L47 HydrophobicContact CB-CD1 4.48Å; I35-L47 HydrophobicContact CG2-CD1 4.02Å; I35-T50 PolarHBondContact N-O 2.79Å; I35-T50 WeakPolarHBondContact O-CA 3.4Å; I35-T50 WeakPolarHBondContact O-CB 3.38Å; I35-F52 HydrophobicContact CB-CD2 4Å; I35-F52 HydrophobicContact CB-CE2 3.82Å; I35-F52 HydrophobicContact CD1-CD2 3.81Å; I35-F52 HydrophobicContact CD1-CE2 4.13Å; I35-F52 HydrophobicContact CD1-CG 4.28Å; I35-F52 HydrophobicContact CG1-CD2 3.86Å; I35-F52 HydrophobicContact CG1-CE2 4.17Å; I35-L63 HydrophobicContact CD1-CD1 4.2Å; I35-L63 HydrophobicContact CD1-CD2 4.46Å; I35-I67 HydrophobicContact CD1-CD1 3.58Å; I35-I67 HydrophobicContact CD1-CG1 4Å; I35-I67 HydrophobicContact CG2-CD1 4.48Å; I35-L81 HydrophobicContact CG2-CD1 3.86Å; I35-M111 WeakPolarHBondContact CA-O 3.43Å; I35-M111 HydrophobicContact CG1-CB 4.27Å; I35-Y113 HydrophobicContact CG2-CD1 4.08Å
36E96.3Very high94.8Very high28 Ų2864.8 Ų64.813%0.13132%0.318CS..EExtended strand (participates in β ladder)trans-120.5160.9-178.4-66.7-173.8138.400111.1T6 F7 R10 I34 T50 M111 V112 Y113T6-E36 WeakPolarHBondContact CB-OE2 3.27Å; F7-E36 PolarHBondContact N-OE1 3.46Å; F7-E36 PolarHBondContact N-OE2 2.98Å; R10-E36 IonicContact NH2-OE1 3.72Å; R10-E36 PolarHBondContact NH2-OE1 3.05Å; I34-E36 HydrophobicContact CG2-CG 3.94Å; E36-T50 HydrophobicContact CG-CG2 3.99Å; E36-M111 PolarHBondContact N-O 3.33Å; E36-V112 CarbonylContact O-C 3.51Å; E36-V112 WeakPolarHBondContact O-CA 3.33Å; E36-Y113 WeakPolarHBondContact O-CD1 3.47Å; E36-Y113 PolarHBondContact O-N 3.29Å
37R94.9Very high94.6Very high68 Ų6859.1 Ų59.126%0.25729%0.292SS..EExtended strand (participates in β ladder)trans-72.8136.4173.7-175.4173.3165.6163.28.5109E41 K42 L44 Y113R37-E41 HydrophobicContact CG-CB 3.87Å; R37-E41 HydrophobicContact CG-CG 3.88Å; R37-E41 PolarHBondContact NE-O 2.91Å; R37-E41 VanDerWaalsContact NH2-C 3.32Å; R37-E41 PolarHBondContact NH2-O 2.84Å; R37-K42 PolarHBondContact NH2-O 3.09Å; R37-L44 PolarHBondContact NH1-O 3.49Å; R37-L44 PolarHBondContact NH2-O 3.08Å; R37-L44 VanDerWaalsContact NH2-O 3.12Å; R37-Y113 VanDerWaalsContact CA-CE1 3.48Å; R37-Y113 HydrophobicContact CB-CE1 3.85Å; R37-Y113 HydrophobicContact CB-CE2 4.11Å; R37-Y113 HydrophobicContact CG-CE2 3.96Å
38Y92.9Very high94.2Very high75 Ų7561.3 Ų61.329%0.29431%0.306SS..  trans-59.5141.2173.9-178.1-101.1000111.1G40 E41 V112 Y113 A114 T118 M122Y38-G40 VanDerWaalsContact C-N 3.26Å; Y38-G40 PolarHBondContact O-N 2.84Å; Y38-E41 VanDerWaalsContact O-CB 3.28Å; Y38-E41 WeakPolarHBondContact O-CB 3.47Å; Y38-E41 PolarHBondContact O-N 3.29Å; Y38-V112 HydrophobicContact CD2-CG2 3.98Å; Y38-Y113 WeakPolarHBondContact CB-O 3.49Å; Y38-Y113 PolarHBondContact N-O 3.38Å; Y38-A114 HydrophobicContact CG-CB 4.46Å; Y38-T118 HydrophobicContact CD1-CG2 3.91Å; Y38-T118 HydrophobicContact CE1-CG2 4.31Å; Y38-M122 HydrophobicContact CD1-SD 3.75Å; Y38-M122 HydrophobicContact CD2-SD 3.98Å; Y38-M122 HydrophobicContact CE1-CG 4.1Å; Y38-M122 HydrophobicContact CE1-SD 3.26Å; Y38-M122 WeakPolarHBondContact CE1-SD 3.44Å; Y38-M122 HydrophobicContact CE2-SD 3.48Å; Y38-M122 WeakPolarHBondContact CE2-SD 3.11Å; Y38-M122 HydrophobicContact CG-SD 4.1Å; Y38-M122 PolarHBondContact OH-SD 3.22Å; Y38-M122 VanDerWaalsContact OH-SD 3.38Å
39K88.3Confident94.1Very high209 Ų20963.1 Ų63.191%0.90931%0.305SS*.THydrogen-bonded Turntrans-59.2-33.5-172.9-173.5178.3178.2-176.40113.6
40G87.4Confident94Very high38 Ų3859.3 Ų59.339%0.39229%0.286SS..THydrogen-bonded Turntrans-86.9-8.1177.500000115Y38 K42Y38-G40 VanDerWaalsContact C-N 3.26Å; Y38-G40 PolarHBondContact O-N 2.84Å; G40-K42 PolarHBondContact O-N 3.04Å
41E91.4Very high93.9Very high5 Ų560.9 Ų60.92%0.02329%0.293CS..  trans-72.7122.6-176.3173.848.8-12300110.1R37 Y38 Q43 L44 S115 T118R37-E41 HydrophobicContact CG-CB 3.87Å; R37-E41 HydrophobicContact CG-CG 3.88Å; R37-E41 PolarHBondContact NE-O 2.91Å; R37-E41 VanDerWaalsContact NH2-C 3.32Å; R37-E41 PolarHBondContact NH2-O 2.84Å; Y38-E41 VanDerWaalsContact O-CB 3.28Å; Y38-E41 WeakPolarHBondContact O-CB 3.47Å; Y38-E41 PolarHBondContact O-N 3.29Å; E41-Q43 WeakPolarHBondContact OE1-CA 3.2Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.35Å; E41-Q43 PolarHBondContact OE1-N 3Å; E41-L44 HydrophobicContact CG-CB 4.01Å; E41-L44 HydrophobicContact CG-CD1 4.35Å; E41-L44 HydrophobicContact CG-CG 4.26Å; E41-L44 PolarHBondContact OE1-N 3.49Å; E41-S115 WeakPolarHBondContact OE2-CB 3.29Å; E41-S115 PolarHBondContact OE2-N 2.82Å; E41-S115 PolarHBondContact OE2-OG 2.8Å; E41-T118 HydrophobicContact CB-CG2 4.4Å; E41-T118 WeakPolarHBondContact OE2-CB 3.33Å; E41-T118 PolarHBondContact OE2-OG1 3.44Å
42K89.9Confident93.8Very high182 Ų18261.5 Ų61.579%0.79130%0.295SS*.  trans-118.3-16.1-176.8-70.4-173-177.1179.40114.8R37 G40R37-K42 PolarHBondContact NH2-O 3.09Å; G40-K42 PolarHBondContact O-N 3.04Å
43Q90.8Very high93.8Very high118 Ų11864.5 Ų64.555%0.55131%0.311SS*.SBendtrans-95.6-40.6-172.2-52.5-174.18.400113.3E41 E117E41-Q43 WeakPolarHBondContact OE1-CA 3.2Å; E41-Q43 WeakPolarHBondContact OE1-CB 3.35Å; E41-Q43 PolarHBondContact OE1-N 3Å; Q43-E117 PolarHBondContact OE1-OE2 2.75Å
44L93.8Very high93.8Very high6 Ų664.9 Ų64.93%0.03131%0.313CS..SBendtrans-75.5150-177-60.7-179.2000111.8R37 E41 L73 F79 Y113 A114R37-L44 PolarHBondContact NH1-O 3.49Å; R37-L44 PolarHBondContact NH2-O 3.08Å; R37-L44 VanDerWaalsContact NH2-O 3.12Å; E41-L44 HydrophobicContact CG-CB 4.01Å; E41-L44 HydrophobicContact CG-CD1 4.35Å; E41-L44 HydrophobicContact CG-CG 4.26Å; E41-L44 PolarHBondContact OE1-N 3.49Å; L44-L73 HydrophobicContact CD2-CD1 4.18Å; L44-L73 HydrophobicContact CD2-CD2 3.91Å; L44-F79 HydrophobicContact CD1-CB 3.61Å; L44-Y113 HydrophobicContact CB-CD2 4.37Å; L44-Y113 HydrophobicContact CB-CE2 4.05Å; L44-Y113 HydrophobicContact CD1-CD2 3.84Å; L44-Y113 HydrophobicContact CD1-CE2 4.36Å; L44-A114 VanDerWaalsContact CD1-C 3.49Å
45P94.3Very high93.8Very high56 Ų5667 Ų6736%0.36433%0.327SS..PPolyproline II helixtrans-68.6166.2176.225.4-28.8000112.2L71 L73 Y113P45-L71 HydrophobicContact CG-CB 4.16Å; P45-L71 HydrophobicContact CG-CD2 3.99Å; P45-L71 WeakPolarHBondContact CG-O 3.29Å; P45-L71 WeakPolarHBondContact O-CD2 3.35Å; P45-L73 HydrophobicContact CG-CD2 4.24Å; P45-Y113 WeakPolarHBondContact O-CE2 3.39Å; P45-Y113 PolarHBondContact O-OH 3.36Å
46I92.6Very high93.8Very high95 Ų9569.6 Ų69.649%0.48734%0.341SS..PPolyproline II helixtrans-89.2132.8174.9-57.2178.2000109.1P2 Y113P2-I46 HydrophobicContact CB-CG2 4.26Å; P2-I46 HydrophobicContact CG-CB 4.47Å; P2-I46 HydrophobicContact CG-CD1 3.87Å; P2-I46 HydrophobicContact CG-CG2 3.86Å; I46-Y113 WeakPolarHBondContact CA-OH 3.34Å
47L94.1Very high93.7Very high9 Ų974.9 Ų74.95%0.04737%0.365CS..PPolyproline II helixtrans-63.1142.8171.9-73171.8000111.7I35 K49 F52 I67 R70 L71 Y113I35-L47 HydrophobicContact CB-CD1 4.48Å; I35-L47 HydrophobicContact CG2-CD1 4.02Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 WeakPolarHBondContact CB-O 3.33Å; L47-K49 PolarHBondContact O-N 2.92Å; L47-F52 HydrophobicContact CD1-CE2 4.29Å; L47-F52 HydrophobicContact CD1-CZ 4.13Å; L47-I67 HydrophobicContact CD1-CD1 4.44Å; L47-I67 HydrophobicContact CD1-CG2 4.48Å; L47-R70 HydrophobicContact CD2-CB 3.61Å; L47-L71 HydrophobicContact CD2-CD2 3.67Å; L47-L71 HydrophobicContact CD2-CG 3.81Å; L47-L71 HydrophobicContact CG-CD2 3.79Å; L47-L71 HydrophobicContact CG-CG 4.34Å; L47-Y113 HydrophobicContact CD1-CD1 4.17Å; L47-Y113 HydrophobicContact CD1-CE1 3.69Å; L47-Y113 HydrophobicContact CG-CE1 3.89Å; L47-Y113 PolarHBondContact N-OH 3.1Å; L47-Y113 VanDerWaalsContact N-OH 3.16Å
48D90.3Very high93.8Very high111 Ų11172.2 Ų72.259%0.59436%0.357SS*.SBendtrans-63.3-34.1173.767.8-43.1000112.5R70D48-R70 IonicContact OD1-NH1 3.05Å; D48-R70 PolarHBondContact OD1-NH1 3.44Å; D48-R70 IonicContact OD2-NH1 3.37Å; D48-R70 PolarHBondContact OD2-NH1 2.82Å
49K92.7Very high93.9Very high123 Ų12370.6 Ų70.654%0.53535%0.353SS..  trans-133.3141-179.2-65.1179.2-172.6-175.90109.7L47 F52L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 WeakPolarHBondContact CB-O 3.33Å; L47-K49 PolarHBondContact O-N 2.92Å; K49-F52 WeakPolarHBondContact O-CE2 3.48Å; K49-F52 WeakPolarHBondContact O-CZ 3.42Å
50T94.8Very high94.3Very high31 Ų3160.8 Ų60.819%0.1931%0.31CS..  trans-108.2-11.7177.664.30000113.1I34 I35 E36I34-T50 CarbonylContact C-O 3.52Å; I34-T50 WeakPolarHBondContact CA-O 3.43Å; I35-T50 PolarHBondContact N-O 2.79Å; I35-T50 WeakPolarHBondContact O-CA 3.4Å; I35-T50 WeakPolarHBondContact O-CB 3.38Å; E36-T50 HydrophobicContact CG-CG2 3.99Å
51K96.2Very high94.7Very high112 Ų11260.6 Ų60.649%0.48730%0.303SS..EExtended strand (participates in β ladder)trans-104.9126.9179.2-56.4-163.5-70.1173.30110.3F7 I34F7-K51 HydrophobicContact CD2-CD 4.25Å; F7-K51 HydrophobicContact CE2-CD 3.7Å; F7-K51 HydrophobicContact CE2-CG 4.47Å; F7-K51 HydrophobicContact CZ-CD 4.18Å; I34-K51 HydrophobicContact CD1-CB 4.26Å; I34-K51 HydrophobicContact CD1-CD 4.16Å; I34-K51 HydrophobicContact CD1-CG 3.66Å
52F97.7Very high95Very high24 Ų2464.3 Ų64.311%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-129.7145.6-176.2-62.7-91.3000110.7V33 I35 L47 K49 V54 I67V33-F52 HydrophobicContact CB-CB 4.42Å; V33-F52 PolarHBondContact N-O 3.48Å; V33-F52 PolarHBondContact O-N 3.4Å; I35-F52 HydrophobicContact CB-CD2 4Å; I35-F52 HydrophobicContact CB-CE2 3.82Å; I35-F52 HydrophobicContact CD1-CD2 3.81Å; I35-F52 HydrophobicContact CD1-CE2 4.13Å; I35-F52 HydrophobicContact CD1-CG 4.28Å; I35-F52 HydrophobicContact CG1-CD2 3.86Å; I35-F52 HydrophobicContact CG1-CE2 4.17Å; L47-F52 HydrophobicContact CD1-CE2 4.29Å; L47-F52 HydrophobicContact CD1-CZ 4.13Å; K49-F52 WeakPolarHBondContact O-CE2 3.48Å; K49-F52 WeakPolarHBondContact O-CZ 3.42Å; F52-V54 HydrophobicContact CB-CG2 4.18Å; F52-I67 HydrophobicContact CE1-CD1 4.23Å; F52-I67 HydrophobicContact CZ-CD1 4.1Å
53L97.9Very high95.3Very high63 Ų6355.7 Ų55.733%0.3328%0.283SS..EExtended strand (participates in β ladder)trans-115106.3166.6-68.6176.9000107.7I23 H27 K30 I31 P32I23-L53 HydrophobicContact CD1-CD1 4Å; I23-L53 HydrophobicContact CG1-CD1 3.86Å; I23-L53 HydrophobicContact CG1-CD2 3.72Å; I23-L53 HydrophobicContact CG1-CG 4.36Å; I23-L53 HydrophobicContact CG2-CD2 4.44Å; H27-L53 VanDerWaalsContact CD2-CD1 3.43Å; H27-L53 WeakPolarHBondContact CD2-CD1 3.34Å; K30-L53 HydrophobicContact CB-CB 4.18Å; K30-L53 HydrophobicContact CD-CB 3.75Å; K30-L53 HydrophobicContact CD-CD1 4.45Å; I31-L53 WeakPolarHBondContact O-CA 3.34Å; P32-L53 HydrophobicContact CB-CD2 4.21Å
54V97.9Very high95.5Very high9 Ų952.2 Ų52.26%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-102.6129.1-174.3-170.90000108.5K30 I31 V33 F52 D56 V58 L63 I95K30-V54 CarbonylContact C-O 3.55Å; K30-V54 WeakPolarHBondContact CA-O 3.41Å; I31-V54 PolarHBondContact N-O 2.82Å; I31-V54 PolarHBondContact O-N 2.97Å; V33-V54 HydrophobicContact CB-CG2 4.41Å; V33-V54 HydrophobicContact CG2-CB 4.44Å; V33-V54 HydrophobicContact CG2-CG2 3.84Å; F52-V54 HydrophobicContact CB-CG2 4.18Å; V54-D56 PolarHBondContact O-N 2.99Å; V54-V58 HydrophobicContact CG1-CB 3.84Å; V54-V58 HydrophobicContact CG1-CG1 3.85Å; V54-V58 HydrophobicContact CG1-CG2 4.34Å; V54-L63 HydrophobicContact CG2-CD1 4.04Å; V54-I95 HydrophobicContact CB-CD1 3.78Å; V54-I95 HydrophobicContact CG1-CD1 3.77Å; V54-I95 HydrophobicContact CG1-CG2 4.08Å; V54-I95 HydrophobicContact CG2-CD1 3.96Å
55P98.3Very high95.6Very high46 Ų4657.5 Ų57.530%0.29929%0.291SS..EExtended strand (participates in β ladder)trans-56.5139.8173.5-20.130.1000111.5H57 V58 I95P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 WeakPolarHBondContact CB-CE1 3.28Å; P55-H57 PolarHBondContact O-N 2.89Å; P55-V58 HydrophobicContact CB-CG2 3.97Å; P55-V58 HydrophobicContact CG-CG2 4.06Å; P55-V58 WeakPolarHBondContact O-CB 3.27Å; P55-V58 PolarHBondContact O-N 3.48Å; P55-V58 VanDerWaalsContact O-N 3.1Å; P55-I95 WeakPolarHBondContact O-CG2 3.42Å
56D97Very high95.6Very high53 Ų5357.6 Ų57.628%0.28329%0.287SS..THydrogen-bonded Turntrans-54.5-35.7-176.152.111.5000115.7N29 V54 V58 A96N29-D56 PolarHBondContact O-N 2.64Å; N29-D56 VanDerWaalsContact O-N 3.1Å; V54-D56 PolarHBondContact O-N 2.99Å; D56-V58 VanDerWaalsContact C-N 3.34Å; D56-A96 HydrophobicContact CB-CB 4.06Å; D56-A96 WeakPolarHBondContact O-CB 3.48Å; D56-A96 PolarHBondContact O-N 3.37Å
57H93.8Very high95.8Very high139 Ų13953 Ų5364%0.64426%0.264SS*.THydrogen-bonded Turntrans-79.3-11.2-179.862.4-84.6000114.3P55 N59P55-H57 VanDerWaalsContact C-N 3.3Å; P55-H57 WeakPolarHBondContact CB-CE1 3.28Å; P55-H57 PolarHBondContact O-N 2.89Å; H57-N59 PolarHBondContact O-N 2.84Å
58V97.3Very high95.9Very high13 Ų1355.8 Ų55.88%0.07927%0.274CS..  trans-68.4130.4177.9169.90000108.9V54 P55 D56 E62 I95V54-V58 HydrophobicContact CG1-CB 3.84Å; V54-V58 HydrophobicContact CG1-CG1 3.85Å; V54-V58 HydrophobicContact CG1-CG2 4.34Å; P55-V58 HydrophobicContact CB-CG2 3.97Å; P55-V58 HydrophobicContact CG-CG2 4.06Å; P55-V58 WeakPolarHBondContact O-CB 3.27Å; P55-V58 PolarHBondContact O-N 3.48Å; P55-V58 VanDerWaalsContact O-N 3.1Å; D56-V58 VanDerWaalsContact C-N 3.34Å; V58-E62 HydrophobicContact CG1-CB 3.75Å; V58-I95 WeakPolarHBondContact O-CB 3.21Å; V58-I95 VanDerWaalsContact O-CG2 3.29Å; V58-I95 WeakPolarHBondContact O-CG2 3.34Å; V58-I95 PolarHBondContact O-N 3.06Å
59N96.6Very high96.1Very high40 Ų4058.4 Ų58.421%0.21428%0.275CS..BIsolated β-bridgetrans-87.8167.7175.565.851.3000112.4H57 S61 E62 L63 A93H57-N59 PolarHBondContact O-N 2.84Å; N59-S61 VanDerWaalsContact C-N 3.26Å; N59-S61 PolarHBondContact O-N 3.42Å; N59-S61 WeakPolarHBondContact OD1-CA 3.39Å; N59-S61 WeakPolarHBondContact OD1-CB 3.36Å; N59-S61 PolarHBondContact OD1-N 3.04Å; N59-S61 PolarHBondContact OD1-OG 3.37Å; N59-E62 PolarHBondContact N-OE2 3.42Å; N59-E62 VanDerWaalsContact N-OE2 3.1Å; N59-E62 PolarHBondContact ND2-OE2 3.18Å; N59-E62 PolarHBondContact O-N 3.19Å; N59-E62 WeakPolarHBondContact OD1-CG 3.28Å; N59-E62 PolarHBondContact OD1-N 3.47Å; N59-L63 PolarHBondContact O-N 2.99Å; N59-A93 VanDerWaalsContact CA-O 3.26Å; N59-A93 WeakPolarHBondContact CA-O 3.36Å; N59-A93 WeakPolarHBondContact CB-O 3.37Å
60M95.6Very high96.3Very high3 Ų357.4 Ų57.42%0.01527%0.268CS..Hα-helixtrans-60.4-33.5-179.2-70.5-57.4-55.700113.1E62 L63 I64 L81 V89 A93 I95 V98 M111M60-E62 PolarHBondContact O-N 3.49Å; M60-L63 HydrophobicContact CE-CD2 4.1Å; M60-L63 PolarHBondContact O-N 2.93Å; M60-L63 HydrophobicContact SD-CD2 4.22Å; M60-I64 WeakPolarHBondContact O-CB 3.11Å; M60-I64 WeakPolarHBondContact O-CD1 3.22Å; M60-I64 WeakPolarHBondContact O-CG1 3.38Å; M60-I64 PolarHBondContact O-N 3.49Å; M60-L81 HydrophobicContact CE-CD2 3.98Å; M60-V89 HydrophobicContact CB-CG2 4.47Å; M60-V89 HydrophobicContact CE-CG2 3.74Å; M60-V89 HydrophobicContact CG-CG2 3.71Å; M60-V89 HydrophobicContact SD-CG2 4.1Å; M60-A93 PolarHBondContact N-O 3.24Å; M60-I95 HydrophobicContact SD-CG1 4.41Å; M60-V98 HydrophobicContact CG-CG2 4.05Å; M60-V98 HydrophobicContact SD-CG2 4.2Å; M60-M111 HydrophobicContact CE-CE 3.78Å; M60-M111 HydrophobicContact CE-SD 4.17Å; M60-M111 HydrophobicContact SD-CE 3.95Å
61S95.6Very high96.3Very high35 Ų3556.2 Ų56.225%0.24526%0.261CS..Hα-helixtrans-64.8-38.7177.284.60000112.5N59 K65 V91N59-S61 VanDerWaalsContact C-N 3.26Å; N59-S61 PolarHBondContact O-N 3.42Å; N59-S61 WeakPolarHBondContact OD1-CA 3.39Å; N59-S61 WeakPolarHBondContact OD1-CB 3.36Å; N59-S61 PolarHBondContact OD1-N 3.04Å; N59-S61 PolarHBondContact OD1-OG 3.37Å; S61-K65 VanDerWaalsContact O-CG 3.31Å; S61-K65 WeakPolarHBondContact O-CG 3.39Å; S61-K65 PolarHBondContact O-N 2.81Å; S61-K65 VanDerWaalsContact O-N 3.08Å; S61-V91 WeakPolarHBondContact CB-O 3.41Å; S61-V91 PolarHBondContact N-O 3.1Å
62E97.1Very high96.3Very high82 Ų8259 Ų5938%0.38328%0.275SS..Hα-helixtrans-71-41.1176.5-71.1176118.500111.2V58 N59 M60 I64 K65 I66V58-E62 HydrophobicContact CG1-CB 3.75Å; N59-E62 PolarHBondContact N-OE2 3.42Å; N59-E62 VanDerWaalsContact N-OE2 3.1Å; N59-E62 PolarHBondContact ND2-OE2 3.18Å; N59-E62 PolarHBondContact O-N 3.19Å; N59-E62 WeakPolarHBondContact OD1-CG 3.28Å; N59-E62 PolarHBondContact OD1-N 3.47Å; M60-E62 PolarHBondContact O-N 3.49Å; E62-I64 PolarHBondContact O-N 3.25Å; E62-K65 WeakPolarHBondContact O-CB 3.15Å; E62-K65 PolarHBondContact O-N 2.9Å; E62-I66 WeakPolarHBondContact O-CG1 3.37Å; E62-I66 PolarHBondContact O-N 2.89Å
63L96.8Very high96.1Very high2 Ų258.6 Ų58.61%0.0127%0.274CS..Hα-helixtrans-59.2-46.3172.8-178.661.2000111.3I35 V54 N59 M60 K65 I66 I67 L81 I95 M111I35-L63 HydrophobicContact CD1-CD1 4.2Å; I35-L63 HydrophobicContact CD1-CD2 4.46Å; V54-L63 HydrophobicContact CG2-CD1 4.04Å; N59-L63 PolarHBondContact O-N 2.99Å; M60-L63 HydrophobicContact CE-CD2 4.1Å; M60-L63 PolarHBondContact O-N 2.93Å; M60-L63 HydrophobicContact SD-CD2 4.22Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.05Å; L63-I66 WeakPolarHBondContact O-CB 3.15Å; L63-I66 PolarHBondContact O-N 3Å; L63-I67 HydrophobicContact CD1-CD1 4.5Å; L63-I67 HydrophobicContact CD1-CG1 4.24Å; L63-I67 HydrophobicContact CG-CG1 4.44Å; L63-I67 WeakPolarHBondContact O-CG1 3.26Å; L63-I67 PolarHBondContact O-N 3.1Å; L63-L81 HydrophobicContact CD2-CD2 3.9Å; L63-L81 HydrophobicContact CG-CD2 4.1Å; L63-I95 HydrophobicContact CD2-CD1 3.8Å; L63-M111 HydrophobicContact CD2-CE 4.08Å; L63-M111 HydrophobicContact CD2-SD 3.84Å
64I95.3Very high95.8Very high45 Ų4560.5 Ų60.523%0.23129%0.285CS..Hα-helixtrans-57.5-43175.9-71.6163.2000110.7M60 E62 I66 I67 R68 F79 L81 V91M60-I64 WeakPolarHBondContact O-CB 3.11Å; M60-I64 WeakPolarHBondContact O-CD1 3.22Å; M60-I64 WeakPolarHBondContact O-CG1 3.38Å; M60-I64 PolarHBondContact O-N 3.49Å; E62-I64 PolarHBondContact O-N 3.25Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 3.38Å; I64-I67 PolarHBondContact O-N 3.41Å; I64-R68 WeakPolarHBondContact O-CB 3.48Å; I64-R68 PolarHBondContact O-N 3.25Å; I64-F79 HydrophobicContact CG2-CE1 4.1Å; I64-F79 HydrophobicContact CG2-CZ 3.9Å; I64-L81 HydrophobicContact CG1-CB 4.3Å; I64-L81 HydrophobicContact CG1-CD2 4.23Å; I64-V91 HydrophobicContact CD1-CG1 4.09Å
65K95.1Very high95.3Very high117 Ų11766 Ų6651%0.50932%0.324SS..Hα-helixtrans-62.5-39175.3-71.2168.6-174.5170.40112.2S61 E62 L63 R69S61-K65 VanDerWaalsContact O-CG 3.31Å; S61-K65 WeakPolarHBondContact O-CG 3.39Å; S61-K65 PolarHBondContact O-N 2.81Å; S61-K65 VanDerWaalsContact O-N 3.08Å; E62-K65 WeakPolarHBondContact O-CB 3.15Å; E62-K65 PolarHBondContact O-N 2.9Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 3.05Å; K65-R69 WeakPolarHBondContact O-CG 3.13Å; K65-R69 PolarHBondContact O-N 2.92Å; K65-R69 VanDerWaalsContact O-N 3.15Å
66I95.9Very high94.8Very high57 Ų5770 Ų7029%0.29234%0.343SS..Hα-helixtrans-63.9-48.5176.3-68.4161.6000110.5E62 L63 I64 R69 R70E62-I66 WeakPolarHBondContact O-CG1 3.37Å; E62-I66 PolarHBondContact O-N 2.89Å; L63-I66 WeakPolarHBondContact O-CB 3.15Å; L63-I66 PolarHBondContact O-N 3Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 3.38Å; I66-R69 PolarHBondContact O-N 2.97Å; I66-R70 PolarHBondContact O-N 3.16Å
67I96.6Very high94.3Very high0 Ų070.9 Ų70.90%035%0.345CS..Hα-helixtrans-65.3-40.5-179.9-60.7-54.6000111.1I35 L47 F52 L63 I64 R69 R70 L71 F79I35-I67 HydrophobicContact CD1-CD1 3.58Å; I35-I67 HydrophobicContact CD1-CG1 4Å; I35-I67 HydrophobicContact CG2-CD1 4.48Å; L47-I67 HydrophobicContact CD1-CD1 4.44Å; L47-I67 HydrophobicContact CD1-CG2 4.48Å; F52-I67 HydrophobicContact CE1-CD1 4.23Å; F52-I67 HydrophobicContact CZ-CD1 4.1Å; L63-I67 HydrophobicContact CD1-CD1 4.5Å; L63-I67 HydrophobicContact CD1-CG1 4.24Å; L63-I67 HydrophobicContact CG-CG1 4.44Å; L63-I67 WeakPolarHBondContact O-CG1 3.26Å; L63-I67 PolarHBondContact O-N 3.1Å; I64-I67 PolarHBondContact O-N 3.41Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.23Å; I67-R70 PolarHBondContact O-N 3.37Å; I67-L71 HydrophobicContact CG2-CD1 3.81Å; I67-L71 HydrophobicContact CG2-CG 4.23Å; I67-L71 WeakPolarHBondContact O-CB 3.49Å; I67-L71 WeakPolarHBondContact O-CG 3.37Å; I67-L71 PolarHBondContact O-N 2.74Å; I67-F79 HydrophobicContact CB-CE2 4.35Å; I67-F79 HydrophobicContact CB-CZ 4.13Å; I67-F79 HydrophobicContact CG2-CE2 3.83Å; I67-F79 HydrophobicContact CG2-CZ 3.98Å
68R95.5Very high94.1Very high66 Ų6666.2 Ų66.225%0.24933%0.33CS..Hα-helixtrans-53.2-48.9172.4-174.3174.1-82.1-80.2-3112.3I64 L71 Q72 L73 N74 Q77 F79I64-R68 WeakPolarHBondContact O-CB 3.48Å; I64-R68 PolarHBondContact O-N 3.25Å; R68-L71 PolarHBondContact O-N 2.81Å; R68-Q72 PolarHBondContact O-N 3.12Å; R68-Q72 VanDerWaalsContact O-N 3.09Å; R68-L73 HydrophobicContact CG-CB 4.07Å; R68-L73 PolarHBondContact O-N 3.09Å; R68-L73 VanDerWaalsContact O-N 3.16Å; R68-N74 PolarHBondContact NH1-O 2.66Å; R68-Q77 VanDerWaalsContact CZ-O 3.31Å; R68-Q77 PolarHBondContact NH1-O 2.69Å; R68-Q77 PolarHBondContact NH2-O 2.64Å; R68-F79 HydrophobicContact CB-CE1 3.85Å; R68-F79 HydrophobicContact CB-CZ 4.38Å; R68-F79 HydrophobicContact CG-CE1 4.37Å
69R95.3Very high93.9Very high167 Ų16766.4 Ų66.463%0.6333%0.33SS*.Hα-helixtrans-64.4-40.9179.2-73.5-170.6-61.7-95.23.3112K65 I66 I67 Q72K65-R69 WeakPolarHBondContact O-CG 3.13Å; K65-R69 PolarHBondContact O-N 2.92Å; K65-R69 VanDerWaalsContact O-N 3.15Å; I66-R69 PolarHBondContact O-N 2.97Å; I67-R69 VanDerWaalsContact C-N 3.33Å; I67-R69 PolarHBondContact O-N 3.23Å; R69-Q72 PolarHBondContact O-N 2.76Å; R69-Q72 VanDerWaalsContact O-N 3.1Å
70R95.8Very high93.7Very high101 Ų10167.4 Ų67.438%0.38133%0.333SS..Hα-helixtrans-67-36.2177.6-75.6-170168.9-110.80.9113.2L47 D48 I66 I67 Q72L47-R70 HydrophobicContact CD2-CB 3.61Å; D48-R70 IonicContact OD1-NH1 3.05Å; D48-R70 PolarHBondContact OD1-NH1 3.44Å; D48-R70 IonicContact OD2-NH1 3.37Å; D48-R70 PolarHBondContact OD2-NH1 2.82Å; I66-R70 PolarHBondContact O-N 3.16Å; I67-R70 PolarHBondContact O-N 3.37Å; R70-Q72 PolarHBondContact O-N 3.05Å
71L95.7Very high93.6Very high7 Ų767.9 Ų67.94%0.03734%0.335CS..THydrogen-bonded Turntrans-75.8-6.7172.7-69.9174000112.9P45 L47 I67 R68 L73 Y113P45-L71 HydrophobicContact CG-CB 4.16Å; P45-L71 HydrophobicContact CG-CD2 3.99Å; P45-L71 WeakPolarHBondContact CG-O 3.29Å; P45-L71 WeakPolarHBondContact O-CD2 3.35Å; L47-L71 HydrophobicContact CD2-CD2 3.67Å; L47-L71 HydrophobicContact CD2-CG 3.81Å; L47-L71 HydrophobicContact CG-CD2 3.79Å; L47-L71 HydrophobicContact CG-CG 4.34Å; I67-L71 HydrophobicContact CG2-CD1 3.81Å; I67-L71 HydrophobicContact CG2-CG 4.23Å; I67-L71 WeakPolarHBondContact O-CB 3.49Å; I67-L71 WeakPolarHBondContact O-CG 3.37Å; I67-L71 PolarHBondContact O-N 2.74Å; R68-L71 PolarHBondContact O-N 2.81Å; L71-L73 HydrophobicContact CB-CD1 4.06Å; L71-L73 HydrophobicContact CB-CD2 4Å; L71-L73 HydrophobicContact CB-CG 3.6Å; L71-L73 HydrophobicContact CD1-CD1 3.93Å; L71-L73 HydrophobicContact CD1-CG 4.39Å; L71-L73 PolarHBondContact O-N 3.05Å; L71-Y113 HydrophobicContact CD1-CD2 3.88Å; L71-Y113 HydrophobicContact CD1-CE2 3.98Å; L71-Y113 HydrophobicContact CD1-CG 4.36Å; L71-Y113 HydrophobicContact CD2-CD2 4.46Å; L71-Y113 HydrophobicContact CD2-CE2 3.74Å
72Q95.4Very high93.4Very high169 Ų16966.3 Ų66.379%0.7932%0.324SS*.THydrogen-bonded Turntrans53.837.6-176.8-55.1-179.11.700112.9R68 R69 R70R68-Q72 PolarHBondContact O-N 3.12Å; R68-Q72 VanDerWaalsContact O-N 3.09Å; R69-Q72 PolarHBondContact O-N 2.76Å; R69-Q72 VanDerWaalsContact O-N 3.1Å; R70-Q72 PolarHBondContact O-N 3.05Å
73L94.3Very high93.2Very high17 Ų1762.4 Ų62.49%0.08931%0.306CS..  trans-79.5137.4-177.8-57.1180000111.7L44 P45 R68 L71 Q77 F79L44-L73 HydrophobicContact CD2-CD1 4.18Å; L44-L73 HydrophobicContact CD2-CD2 3.91Å; P45-L73 HydrophobicContact CG-CD2 4.24Å; R68-L73 HydrophobicContact CG-CB 4.07Å; R68-L73 PolarHBondContact O-N 3.09Å; R68-L73 VanDerWaalsContact O-N 3.16Å; L71-L73 HydrophobicContact CB-CD1 4.06Å; L71-L73 HydrophobicContact CB-CD2 4Å; L71-L73 HydrophobicContact CB-CG 3.6Å; L71-L73 HydrophobicContact CD1-CD1 3.93Å; L71-L73 HydrophobicContact CD1-CG 4.39Å; L71-L73 PolarHBondContact O-N 3.05Å; L73-Q77 HydrophobicContact CB-CB 4.15Å; L73-Q77 HydrophobicContact CD2-CB 4.47Å; L73-F79 HydrophobicContact CD1-CB 4.2Å; L73-F79 HydrophobicContact CD1-CD1 3.52Å; L73-F79 HydrophobicContact CD1-CE1 4.13Å; L73-F79 HydrophobicContact CD1-CG 3.98Å
74N90.8Very high92.8Very high103 Ų10364.6 Ų64.655%0.55132%0.317SS*.  trans-69.6162.8171-67.6-22.8000111.3R68 N76 Q77R68-N74 PolarHBondContact NH1-O 2.66Å; N74-N76 WeakPolarHBondContact CB-OD1 3.47Å; N74-N76 PolarHBondContact O-N 3.4Å; N74-Q77 PolarHBondContact O-N 3.44Å; N74-Q77 VanDerWaalsContact O-N 3.08Å
75S87.4Confident92Very high124 Ų12463.8 Ų63.887%0.86732%0.321SS*.THydrogen-bonded Turntrans-61.1-27.6-179.8520000113.6
76N87.1Confident91.1Very high131 Ų13164.6 Ų64.670%0.70133%0.326SS*.THydrogen-bonded Turntrans-81.2-12.2177.565-15.8000113.9N74 A78N74-N76 WeakPolarHBondContact CB-OD1 3.47Å; N74-N76 PolarHBondContact O-N 3.4Å; N76-A78 PolarHBondContact O-N 3.12Å
77Q88Confident90.3Very high71 Ų7163.4 Ų63.433%0.33232%0.323SS..  trans-89.6107.8177.4-69.1176.5-65.100109.4R68 L73 N74R68-Q77 VanDerWaalsContact CZ-O 3.31Å; R68-Q77 PolarHBondContact NH1-O 2.69Å; R68-Q77 PolarHBondContact NH2-O 2.64Å; L73-Q77 HydrophobicContact CB-CB 4.15Å; L73-Q77 HydrophobicContact CD2-CB 4.47Å; N74-Q77 PolarHBondContact O-N 3.44Å; N74-Q77 VanDerWaalsContact O-N 3.08Å
78A88.6Confident89.7Confident40 Ų4069.3 Ų69.333%0.33135%0.352SS..  trans-81.3144.6172.700000110.6N76 Q116N76-A78 PolarHBondContact O-N 3.12Å; A78-Q116 HydrophobicContact CB-CB 4.28Å
79F93.5Very high89.2Confident17 Ų1768 Ų688%0.07535%0.351CS..EExtended strand (participates in β ladder)trans-148.4155.2168.982.9-76.9000109.9L44 I64 I67 R68 L73 L81 A114L44-F79 HydrophobicContact CD1-CB 3.61Å; I64-F79 HydrophobicContact CG2-CE1 4.1Å; I64-F79 HydrophobicContact CG2-CZ 3.9Å; I67-F79 HydrophobicContact CB-CE2 4.35Å; I67-F79 HydrophobicContact CB-CZ 4.13Å; I67-F79 HydrophobicContact CG2-CE2 3.83Å; I67-F79 HydrophobicContact CG2-CZ 3.98Å; R68-F79 HydrophobicContact CB-CE1 3.85Å; R68-F79 HydrophobicContact CB-CZ 4.38Å; R68-F79 HydrophobicContact CG-CE1 4.37Å; L73-F79 HydrophobicContact CD1-CB 4.2Å; L73-F79 HydrophobicContact CD1-CD1 3.52Å; L73-F79 HydrophobicContact CD1-CE1 4.13Å; L73-F79 HydrophobicContact CD1-CG 3.98Å; F79-L81 HydrophobicContact CE2-CB 4.45Å; F79-A114 CarbonylContact C-O 3.56Å; F79-A114 VanDerWaalsContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CB-O 3.36Å
80F92Very high88.8Confident61 Ų6163.4 Ų63.427%0.26834%0.344SS..EExtended strand (participates in β ladder)trans-108.7147.6175.3-65-79.3000110.2L82 M88 Y113 A114 Q116 F119F80-L82 HydrophobicContact CB-CD2 4.39Å; F80-M88 HydrophobicContact CD1-SD 4.25Å; F80-M88 HydrophobicContact CE1-SD 4.42Å; F80-Y113 WeakPolarHBondContact O-CA 3.45Å; F80-A114 PolarHBondContact N-O 3.46Å; F80-A114 PolarHBondContact O-N 2.87Å; F80-A114 VanDerWaalsContact O-N 3.12Å; F80-Q116 HydrophobicContact CE2-CB 3.86Å; F80-Q116 HydrophobicContact CE2-CG 4.03Å; F80-F119 HydrophobicContact CD2-CB 3.69Å; F80-F119 HydrophobicContact CD2-CD1 4.29Å; F80-F119 HydrophobicContact CD2-CD2 4.37Å; F80-F119 AromaticContact CD2-CG 3.86Å; F80-F119 HydrophobicContact CD2-CG 3.86Å; F80-F119 HydrophobicContact CE2-CB 4.03Å; F80-F119 HydrophobicContact CE2-CD1 4.16Å; F80-F119 HydrophobicContact CE2-CG 4.16Å; F80-F119 HydrophobicContact CG-CD2 4.45Å; F80-F119 HydrophobicContact CG-CG 4.34Å
81L93.4Very high88.5Confident13 Ų1362.6 Ų62.67%0.06835%0.35CS..EExtended strand (participates in β ladder)trans-117.1113.2170.6-17366.2000107.4I35 M60 L63 I64 F79 M111I35-L81 HydrophobicContact CG2-CD1 3.86Å; M60-L81 HydrophobicContact CE-CD2 3.98Å; L63-L81 HydrophobicContact CD2-CD2 3.9Å; L63-L81 HydrophobicContact CG-CD2 4.1Å; I64-L81 HydrophobicContact CG1-CB 4.3Å; I64-L81 HydrophobicContact CG1-CD2 4.23Å; F79-L81 HydrophobicContact CE2-CB 4.45Å; L81-M111 HydrophobicContact CD1-CB 3.91Å; L81-M111 HydrophobicContact CD1-SD 4.29Å; L81-M111 HydrophobicContact CD2-SD 3.72Å; L81-M111 HydrophobicContact CG-CB 4.29Å; L81-M111 HydrophobicContact CG-SD 3.92Å
82L92.4Very high88.4Confident2 Ų266.5 Ų66.51%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-106.5127.7-173-56.6173.6000109.7F80 M88 M111 V112 F119 M122F80-L82 HydrophobicContact CB-CD2 4.39Å; L82-M88 HydrophobicContact CD2-CG 3.93Å; L82-M111 CarbonylContact O-C 3.52Å; L82-M111 WeakPolarHBondContact O-CA 3.23Å; L82-M111 WeakPolarHBondContact O-CB 3.45Å; L82-V112 HydrophobicContact CB-CG2 3.88Å; L82-V112 HydrophobicContact CD1-CG2 4.21Å; L82-V112 PolarHBondContact N-O 3.23Å; L82-V112 PolarHBondContact O-N 2.68Å; L82-F119 HydrophobicContact CD1-CD2 4.07Å; L82-F119 HydrophobicContact CD1-CE2 4.12Å; L82-F119 HydrophobicContact CD2-CD2 4.12Å; L82-F119 HydrophobicContact CD2-CE2 3.64Å; L82-F119 HydrophobicContact CG-CE2 4.49Å; L82-M122 HydrophobicContact CD1-CE 3.86Å
83V92.9Very high88.4Confident0 Ų059.3 Ų59.30%035%0.348CS..EExtended strand (participates in β ladder)trans-80.7134.4174.8-176.10000109.1G85 H86 S87 V89 V98 E102 L109 M111V83-G85 PolarHBondContact O-N 3.35Å; V83-H86 PolarHBondContact O-N 2.71Å; V83-H86 VanDerWaalsContact O-N 3.09Å; V83-S87 PolarHBondContact N-O 2.9Å; V83-S87 PolarHBondContact O-N 3.44Å; V83-V89 HydrophobicContact CB-CG1 4.3Å; V83-V89 HydrophobicContact CG2-CB 4.47Å; V83-V89 HydrophobicContact CG2-CG1 3.75Å; V83-V89 HydrophobicContact CG2-CG2 3.85Å; V83-V98 HydrophobicContact CG1-CG1 4.22Å; V83-V98 HydrophobicContact CG2-CG1 4.03Å; V83-E102 HydrophobicContact CG1-CB 3.55Å; V83-E102 HydrophobicContact CG1-CG 3.85Å; V83-L109 HydrophobicContact CG1-CD1 3.76Å; V83-M111 HydrophobicContact CG2-CE 4.01Å; V83-M111 HydrophobicContact CG2-CG 4.26Å
84N88.2Confident88.5Confident48 Ų4859.6 Ų59.626%0.25735%0.353SS..THydrogen-bonded Turntrans51.222.7-176.3-66.2-31.8000114.5H86 E102 Y110N84-H86 VanDerWaalsContact C-N 3.35Å; N84-H86 PolarHBondContact O-CE1 3.45Å; N84-H86 PolarHBondContact O-N 3.37Å; N84-H86 PolarHBondContact O-ND1 3.16Å; N84-E102 PolarHBondContact ND2-O 3.43Å; N84-E102 PolarHBondContact ND2-OE2 2.68Å; N84-E102 PolarHBondContact OD1-O 3.05Å; N84-Y110 PolarHBondContact N-O 2.91Å
85G78.3Confident88.7Confident29 Ų2954.7 Ų54.730%0.29933%0.327SS..THydrogen-bonded Turntrans82.9-2.2179.100000116.2V83V83-G85 PolarHBondContact O-N 3.35Å
86H75.9Confident89.2Confident134 Ų13450.6 Ų50.662%0.6230%0.3SS*.THydrogen-bonded Turntrans-144.3-27.8-172.356.5-83.1000115V83 N84V83-H86 PolarHBondContact O-N 2.71Å; V83-H86 VanDerWaalsContact O-N 3.09Å; N84-H86 VanDerWaalsContact C-N 3.35Å; N84-H86 PolarHBondContact O-CE1 3.45Å; N84-H86 PolarHBondContact O-N 3.37Å; N84-H86 PolarHBondContact O-ND1 3.16Å
87S80.2Confident89.7Confident32 Ų3249.5 Ų49.522%0.22429%0.291CS..BIsolated β-bridgetrans-94.2124.2-171.8-670000112.3V83V83-S87 PolarHBondContact N-O 2.9Å; V83-S87 PolarHBondContact O-N 3.44Å
88M82.5Confident90Very high124 Ų12446.5 Ų46.561%0.61128%0.277SS*.PPolyproline II helixtrans-82.1124.9161.1-70.2-164.5-68.400108.8F80 L82 F119F80-M88 HydrophobicContact CD1-SD 4.25Å; F80-M88 HydrophobicContact CE1-SD 4.42Å; L82-M88 HydrophobicContact CD2-CG 3.93Å; M88-F119 HydrophobicContact CE-CZ 4.29Å; M88-F119 HydrophobicContact SD-CZ 4.26Å
89V84.6Confident90.5Very high39 Ų3944.9 Ų44.924%0.23626%0.262CS..PPolyproline II helixtrans-102.6156.2176-66.30000110.3M60 V83 V91 V98M60-V89 HydrophobicContact CB-CG2 4.47Å; M60-V89 HydrophobicContact CE-CG2 3.74Å; M60-V89 HydrophobicContact CG-CG2 3.71Å; M60-V89 HydrophobicContact SD-CG2 4.1Å; V83-V89 HydrophobicContact CB-CG1 4.3Å; V83-V89 HydrophobicContact CG2-CB 4.47Å; V83-V89 HydrophobicContact CG2-CG1 3.75Å; V83-V89 HydrophobicContact CG2-CG2 3.85Å; V89-V91 PolarHBondContact O-N 3.37Å; V89-V98 HydrophobicContact CB-CG2 4.29Å; V89-V98 HydrophobicContact CG1-CG1 4.16Å; V89-V98 HydrophobicContact CG1-CG2 4.35Å; V89-V98 HydrophobicContact CG2-CG2 4.28Å
90S88.1Confident90.6Very high69 Ų6949.9 Ų49.948%0.48329%0.286SS..PPolyproline II helixtrans-56.9131174.1-179.60000110.2S92 A93S90-S92 PolarHBondContact O-N 3.06Å; S90-S92 PolarHBondContact OG-N 3.34Å; S90-S92 PolarHBondContact OG-OG 3.17Å; S90-A93 WeakPolarHBondContact O-CB 3.33Å; S90-A93 PolarHBondContact O-N 3.48Å; S90-A93 VanDerWaalsContact O-N 3.1Å
91V89.1Confident90.7Very high84 Ų8456.6 Ų56.651%0.50931%0.31SS..THydrogen-bonded Turntrans-64.6-21.4177.8-63.30000112.7S61 I64 V89S61-V91 WeakPolarHBondContact CB-O 3.41Å; S61-V91 PolarHBondContact N-O 3.1Å; I64-V91 HydrophobicContact CD1-CG1 4.09Å; V89-V91 PolarHBondContact O-N 3.37Å
92S93.3Very high90.8Very high90 Ų9058.5 Ų58.563%0.62932%0.318SS*.THydrogen-bonded Turntrans-85-14.4176.559.90000113.9S90S90-S92 PolarHBondContact O-N 3.06Å; S90-S92 PolarHBondContact OG-N 3.34Å; S90-S92 PolarHBondContact OG-OG 3.17Å
93A94.9Very high91Very high17 Ų1762 Ų6214%0.1433%0.333CS..SBendtrans-65.6137.9-177.900000110.9N59 M60 S90 V98N59-A93 VanDerWaalsContact CA-O 3.26Å; N59-A93 WeakPolarHBondContact CA-O 3.36Å; N59-A93 WeakPolarHBondContact CB-O 3.37Å; M60-A93 PolarHBondContact N-O 3.24Å; S90-A93 WeakPolarHBondContact O-CB 3.33Å; S90-A93 PolarHBondContact O-N 3.48Å; S90-A93 VanDerWaalsContact O-N 3.1Å; A93-V98 HydrophobicContact CB-CG2 4.1Å
94A96.5Very high91.3Very high24 Ų2464 Ų6420%0.19834%0.344CS..BIsolated β-bridgetrans-66.8142.4171.200000109.8A96 E97 V98A94-A96 PolarHBondContact O-N 3.44Å; A94-E97 HydrophobicContact CB-CG 4.23Å; A94-E97 WeakPolarHBondContact O-CB 3.22Å; A94-E97 PolarHBondContact O-N 3.4Å; A94-V98 PolarHBondContact O-N 2.94Å
95I96.8Very high91.7Very high0 Ų068.8 Ų68.80%037%0.369CS..Hα-helixtrans-64.3-28.1-178.2-162.9170.9000112.4I31 V33 V54 P55 V58 M60 L63 E97 V98 Y99 L109I31-I95 HydrophobicContact CB-CG2 4.45Å; I31-I95 HydrophobicContact CG1-CG2 3.98Å; V33-I95 HydrophobicContact CG2-CD1 3.74Å; V54-I95 HydrophobicContact CB-CD1 3.78Å; V54-I95 HydrophobicContact CG1-CD1 3.77Å; V54-I95 HydrophobicContact CG1-CG2 4.08Å; V54-I95 HydrophobicContact CG2-CD1 3.96Å; P55-I95 WeakPolarHBondContact O-CG2 3.42Å; V58-I95 WeakPolarHBondContact O-CB 3.21Å; V58-I95 VanDerWaalsContact O-CG2 3.29Å; V58-I95 WeakPolarHBondContact O-CG2 3.34Å; V58-I95 PolarHBondContact O-N 3.06Å; M60-I95 HydrophobicContact SD-CG1 4.41Å; L63-I95 HydrophobicContact CD2-CD1 3.8Å; I95-E97 VanDerWaalsContact C-N 3.33Å; I95-E97 PolarHBondContact O-N 3.28Å; I95-V98 PolarHBondContact O-N 3.13Å; I95-Y99 VanDerWaalsContact O-CB 3.28Å; I95-Y99 WeakPolarHBondContact O-CB 3.41Å; I95-Y99 PolarHBondContact O-N 2.83Å; I95-L109 HydrophobicContact CG1-CD2 4.15Å
96A97.4Very high92.7Very high37 Ų3767.6 Ų67.631%0.30636%0.356SS..Hα-helixtrans-61.6-39.1172.500000112.7D56 A94 Y99 E100D56-A96 HydrophobicContact CB-CB 4.06Å; D56-A96 WeakPolarHBondContact O-CB 3.48Å; D56-A96 PolarHBondContact O-N 3.37Å; A94-A96 PolarHBondContact O-N 3.44Å; A96-Y99 PolarHBondContact O-N 3.1Å; A96-E100 PolarHBondContact O-N 2.98Å
97E96.3Very high93.7Very high109 Ų10961.9 Ų61.951%0.50933%0.334SS..Hα-helixtrans-68.4-40.9177-64.8176.3-175.200111.5A94 I95 E100 R101A94-E97 HydrophobicContact CB-CG 4.23Å; A94-E97 WeakPolarHBondContact O-CB 3.22Å; A94-E97 PolarHBondContact O-N 3.4Å; I95-E97 VanDerWaalsContact C-N 3.33Å; I95-E97 PolarHBondContact O-N 3.28Å; E97-E100 PolarHBondContact O-N 2.63Å; E97-R101 WeakPolarHBondContact O-CG 3.49Å; E97-R101 PolarHBondContact O-N 2.9Å
98V96.2Very high94.6Very high7 Ų761 Ų614%0.04233%0.326CS..Hα-helixtrans-63-46.1174.7178.50000109.9M60 V83 V89 A93 A94 I95 E100 R101 E102 L109M60-V98 HydrophobicContact CG-CG2 4.05Å; M60-V98 HydrophobicContact SD-CG2 4.2Å; V83-V98 HydrophobicContact CG1-CG1 4.22Å; V83-V98 HydrophobicContact CG2-CG1 4.03Å; V89-V98 HydrophobicContact CB-CG2 4.29Å; V89-V98 HydrophobicContact CG1-CG1 4.16Å; V89-V98 HydrophobicContact CG1-CG2 4.35Å; V89-V98 HydrophobicContact CG2-CG2 4.28Å; A93-V98 HydrophobicContact CB-CG2 4.1Å; A94-V98 PolarHBondContact O-N 2.94Å; I95-V98 PolarHBondContact O-N 3.13Å; V98-E100 VanDerWaalsContact C-N 3.32Å; V98-E100 PolarHBondContact O-N 3.33Å; V98-R101 PolarHBondContact O-N 3.3Å; V98-E102 HydrophobicContact CG1-CB 4.34Å; V98-E102 HydrophobicContact CG1-CG 4.31Å; V98-E102 VanDerWaalsContact O-CB 3.27Å; V98-E102 WeakPolarHBondContact O-CB 3.2Å; V98-E102 PolarHBondContact O-N 3.36Å; V98-L109 HydrophobicContact CG1-CD1 4.31Å; V98-L109 HydrophobicContact CG1-CD2 4.07Å
99Y97.3Very high95.3Very high7 Ų755 Ų553%0.02730%0.296CS..Hα-helixtrans-57.6-43.1178.9178.7-95.8000112.4I31 P32 I95 A96 R101 E102 K103 G107 L109I31-Y99 HydrophobicContact CD1-CD1 4.26Å; I31-Y99 HydrophobicContact CD1-CG 4.21Å; I31-Y99 HydrophobicContact CG2-CD2 3.29Å; I31-Y99 HydrophobicContact CG2-CE2 4Å; I31-Y99 HydrophobicContact CG2-CG 3.68Å; P32-Y99 HydrophobicContact CG-CE2 4.23Å; I95-Y99 VanDerWaalsContact O-CB 3.28Å; I95-Y99 WeakPolarHBondContact O-CB 3.41Å; I95-Y99 PolarHBondContact O-N 2.83Å; A96-Y99 PolarHBondContact O-N 3.1Å; Y99-R101 PolarHBondContact O-N 3.21Å; Y99-E102 PolarHBondContact O-N 3.06Å; Y99-K103 HydrophobicContact CD1-CD 4.12Å; Y99-K103 HydrophobicContact CD2-CB 3.99Å; Y99-K103 HydrophobicContact CE1-CB 4.47Å; Y99-K103 HydrophobicContact CE1-CD 3.64Å; Y99-K103 HydrophobicContact CE2-CB 3.82Å; Y99-K103 HydrophobicContact CE2-CD 4.43Å; Y99-K103 HydrophobicContact CG-CB 4.39Å; Y99-K103 WeakPolarHBondContact O-CB 3.42Å; Y99-K103 WeakPolarHBondContact O-CG 3.46Å; Y99-K103 PolarHBondContact O-N 2.8Å; Y99-G107 WeakPolarHBondContact CE2-O 3.32Å; Y99-G107 PolarHBondContact OH-O 3.15Å; Y99-L109 HydrophobicContact CD2-CB 3.85Å; Y99-L109 HydrophobicContact CE2-CB 4.47Å
100E96.3Very high96Very high122 Ų12254.3 Ų54.357%0.5729%0.29SS*.Hα-helixtrans-65.8-29.6-178.1-167.451.2-145.300113.1A96 E97 V98 K103A96-E100 PolarHBondContact O-N 2.98Å; E97-E100 PolarHBondContact O-N 2.63Å; V98-E100 VanDerWaalsContact C-N 3.32Å; V98-E100 PolarHBondContact O-N 3.33Å; E100-K103 VanDerWaalsContact CD-NZ 3.27Å; E100-K103 IonicContact OE1-NZ 2.61Å; E100-K103 PolarHBondContact OE1-NZ 3.26Å; E100-K103 IonicContact OE2-NZ 3.68Å; E100-K103 PolarHBondContact OE2-NZ 3.1Å
101R94.4Very high96.4Very high202 Ų20251.1 Ų51.176%0.76227%0.267SS*.Hα-helixtrans-89.7-31.7-179.1-63177.1-172.5-164.73.2113.4E97 V98 Y99E97-R101 WeakPolarHBondContact O-CG 3.49Å; E97-R101 PolarHBondContact O-N 2.9Å; V98-R101 PolarHBondContact O-N 3.3Å; Y99-R101 PolarHBondContact O-N 3.21Å
102E96Very high96.7Very high53 Ų5348.4 Ų48.425%0.24825%0.251CS..Hα-helixtrans-124.61.2-162.8-61.4-71.3160.900113.9V83 N84 V98 Y99 L109V83-E102 HydrophobicContact CG1-CB 3.55Å; V83-E102 HydrophobicContact CG1-CG 3.85Å; N84-E102 PolarHBondContact ND2-O 3.43Å; N84-E102 PolarHBondContact ND2-OE2 2.68Å; N84-E102 PolarHBondContact OD1-O 3.05Å; V98-E102 HydrophobicContact CG1-CB 4.34Å; V98-E102 HydrophobicContact CG1-CG 4.31Å; V98-E102 VanDerWaalsContact O-CB 3.27Å; V98-E102 WeakPolarHBondContact O-CB 3.2Å; V98-E102 PolarHBondContact O-N 3.36Å; Y99-E102 PolarHBondContact O-N 3.06Å; E102-L109 HydrophobicContact CB-CD1 3.82Å
103K96.6Very high96.8Very high75 Ų7544.2 Ų44.233%0.32622%0.221SC..  trans-57.6143.2172.867.2-165.2174.2-152.60110.4Y99 E100Y99-K103 HydrophobicContact CD1-CD 4.12Å; Y99-K103 HydrophobicContact CD2-CB 3.99Å; Y99-K103 HydrophobicContact CE1-CB 4.47Å; Y99-K103 HydrophobicContact CE1-CD 3.64Å; Y99-K103 HydrophobicContact CE2-CB 3.82Å; Y99-K103 HydrophobicContact CE2-CD 4.43Å; Y99-K103 HydrophobicContact CG-CB 4.39Å; Y99-K103 WeakPolarHBondContact O-CB 3.42Å; Y99-K103 WeakPolarHBondContact O-CG 3.46Å; Y99-K103 PolarHBondContact O-N 2.8Å; E100-K103 VanDerWaalsContact CD-NZ 3.27Å; E100-K103 IonicContact OE1-NZ 2.61Å; E100-K103 PolarHBondContact OE1-NZ 3.26Å; E100-K103 IonicContact OE2-NZ 3.68Å; E100-K103 PolarHBondContact OE2-NZ 3.1Å
104D97.9Very high96.7Very high42 Ų4243.4 Ų43.423%0.22522%0.215CC..  trans-74.4164.3171.9-166.2-113.2000110.3K8 R16 D106 G107 F108 Y110K8-D104 WeakPolarHBondContact CE-OD1 3.47Å; K8-D104 IonicContact NZ-OD1 3.02Å; K8-D104 PolarHBondContact NZ-OD1 3.09Å; K8-D104 IonicContact NZ-OD2 3.29Å; K8-D104 PolarHBondContact NZ-OD2 3.4Å; R16-D104 IonicContact NH1-OD1 2.67Å; D104-D106 WeakPolarHBondContact CB-OD1 3.37Å; D104-D106 PolarHBondContact O-N 2.89Å; D104-G107 WeakPolarHBondContact O-CA 3.38Å; D104-G107 PolarHBondContact O-N 3.37Å; D104-F108 PolarHBondContact N-O 3.28Å; D104-Y110 HydrophobicContact CB-CD2 3.62Å; D104-Y110 HydrophobicContact CB-CE2 3.61Å
105D97.9Very high96.5Very high148 Ų14842.3 Ų42.379%0.79121%0.205SC*.THydrogen-bonded Turntrans-60.6-19.9-179.8-64.8-31.5000113.5F13 G107F13-D105 HydrophobicContact CE2-CB 4.05Å; F13-D105 HydrophobicContact CZ-CB 4.23Å; D105-G107 VanDerWaalsContact C-N 3.28Å
106D98.3Very high96Very high4 Ų447.7 Ų47.72%0.02123%0.23CC..THydrogen-bonded Turntrans-79.8-8.3174.276.1-8.8000114F13 R16 V17 V20 D104 F108 Y110F13-D106 HydrophobicContact CD2-CB 4.05Å; F13-D106 HydrophobicContact CE2-CB 3.8Å; R16-D106 HydrophobicContact CB-CB 3.85Å; R16-D106 WeakPolarHBondContact CB-OD2 3.26Å; R16-D106 VanDerWaalsContact CD-OD2 3.28Å; R16-D106 WeakPolarHBondContact CD-OD2 3.41Å; R16-D106 IonicContact CZ-OD2 3.3Å; R16-D106 IonicContact NE-OD2 3.49Å; R16-D106 IonicContact NH1-OD2 3.15Å; R16-D106 PolarHBondContact NH1-OD2 2.53Å; V17-D106 HydrophobicContact CG2-CB 4.21Å; V20-D106 WeakPolarHBondContact CG2-O 3.39Å; D104-D106 WeakPolarHBondContact CB-OD1 3.37Å; D104-D106 PolarHBondContact O-N 2.89Å; D106-F108 WeakPolarHBondContact OD1-CB 3.4Å; D106-F108 PolarHBondContact OD1-N 3.18Å; D106-Y110 WeakPolarHBondContact OD1-CE2 3.42Å; D106-Y110 WeakPolarHBondContact OD2-CE2 3.37Å; D106-Y110 PolarHBondContact OD2-OH 3.04Å
107G98.1Very high95.3Very high14 Ų1450.9 Ų50.914%0.14424%0.239CC..SBendtrans86.35.3-178.700000116Y99 D104 D105Y99-G107 WeakPolarHBondContact CE2-O 3.32Å; Y99-G107 PolarHBondContact OH-O 3.15Å; D104-G107 WeakPolarHBondContact O-CA 3.38Å; D104-G107 PolarHBondContact O-N 3.37Å; D105-G107 VanDerWaalsContact C-N 3.28Å
108F98.5Very high94.7Very high13 Ų1346.3 Ų46.36%0.05722%0.218CC..PPolyproline II helixtrans-90.1150.9167.5-79.7-81.2000110.8F7 R16 D19 V20 P32 I34 D104 D106 Y110F7-F108 AromaticContact CE1-CD2 3.89Å; F7-F108 HydrophobicContact CE1-CD2 3.89Å; F7-F108 AromaticContact CE1-CE2 3.66Å; F7-F108 HydrophobicContact CE1-CE2 3.66Å; F7-F108 HydrophobicContact CE1-CG 4.48Å; F7-F108 HydrophobicContact CE1-CZ 4.08Å; F7-F108 AromaticContact CZ-CE2 3.96Å; F7-F108 HydrophobicContact CZ-CE2 3.96Å; F7-F108 HydrophobicContact CZ-CZ 4.08Å; R16-F108 HydrophobicContact CB-CD2 4.27Å; R16-F108 HydrophobicContact CB-CE2 4.18Å; D19-F108 HydrophobicContact CB-CE2 4.25Å; D19-F108 HydrophobicContact CB-CZ 4.21Å; V20-F108 HydrophobicContact CG2-CD1 4.21Å; V20-F108 HydrophobicContact CG2-CD2 3.3Å; V20-F108 HydrophobicContact CG2-CE1 4.2Å; V20-F108 HydrophobicContact CG2-CE2 3.3Å; V20-F108 HydrophobicContact CG2-CG 3.77Å; V20-F108 HydrophobicContact CG2-CZ 3.76Å; P32-F108 HydrophobicContact CB-CD1 3.66Å; P32-F108 HydrophobicContact CB-CE1 3.66Å; P32-F108 HydrophobicContact CG-CD1 4.38Å; I34-F108 HydrophobicContact CD1-CD1 3.77Å; I34-F108 HydrophobicContact CD1-CE1 3.85Å; I34-F108 HydrophobicContact CD1-CG 4.35Å; I34-F108 HydrophobicContact CD1-CZ 4.49Å; I34-F108 HydrophobicContact CG1-CB 4.06Å; I34-F108 HydrophobicContact CG1-CD1 3.64Å; I34-F108 HydrophobicContact CG1-CE1 4.26Å; I34-F108 HydrophobicContact CG1-CG 3.89Å; D104-F108 PolarHBondContact N-O 3.28Å; D106-F108 WeakPolarHBondContact OD1-CB 3.4Å; D106-F108 PolarHBondContact OD1-N 3.18Å; F108-Y110 HydrophobicContact CB-CD2 4.15Å; F108-Y110 HydrophobicContact CB-CE2 3.51Å
109L97.9Very high93.7Very high0 Ų048.2 Ų48.20%023%0.227CC..EExtended strand (participates in β ladder)trans-92.9123163.4179.762.8000109.8P32 V33 I34 V83 I95 V98 Y99 E102 M111P32-L109 PolarHBondContact O-N 2.78Å; V33-L109 CarbonylContact C-O 3.55Å; V33-L109 WeakPolarHBondContact CA-O 3.14Å; V33-L109 HydrophobicContact CG1-CB 4.45Å; V33-L109 HydrophobicContact CG1-CG 4.47Å; V33-L109 WeakPolarHBondContact CG1-O 3.44Å; V33-L109 HydrophobicContact CG2-CB 4.42Å; V33-L109 HydrophobicContact CG2-CD2 4.39Å; I34-L109 PolarHBondContact N-O 3.16Å; V83-L109 HydrophobicContact CG1-CD1 3.76Å; I95-L109 HydrophobicContact CG1-CD2 4.15Å; V98-L109 HydrophobicContact CG1-CD1 4.31Å; V98-L109 HydrophobicContact CG1-CD2 4.07Å; Y99-L109 HydrophobicContact CD2-CB 3.85Å; Y99-L109 HydrophobicContact CE2-CB 4.47Å; E102-L109 HydrophobicContact CB-CD1 3.82Å; L109-M111 HydrophobicContact CD2-CE 3.44Å; L109-M111 VanDerWaalsContact CD2-CE 3.44Å; L109-M111 HydrophobicContact CG-CE 3.9Å
110Y97.8Very high92.4Very high23 Ų2350.6 Ų50.69%0.0925%0.253CS..EExtended strand (participates in β ladder)trans-99.8133.9-178.8-71.5-93.6000111.1F7 K8 R16 I34 N84 D104 D106 F108F7-Y110 HydrophobicContact CD1-CE1 4.05Å; F7-Y110 WeakPolarHBondContact CD1-OH 3.46Å; K8-Y110 HydrophobicContact CD-CE1 4.27Å; K8-Y110 VanDerWaalsContact CE-CE2 3.44Å; K8-Y110 HydrophobicContact CG-CE1 3.77Å; R16-Y110 WeakPolarHBondContact CD-OH 3.5Å; I34-Y110 HydrophobicContact CB-CD1 3.73Å; I34-Y110 HydrophobicContact CB-CE1 3.81Å; I34-Y110 HydrophobicContact CB-CG 4.44Å; I34-Y110 HydrophobicContact CG1-CD1 4.21Å; I34-Y110 HydrophobicContact CG1-CE1 3.81Å; I34-Y110 HydrophobicContact CG2-CD1 3.91Å; I34-Y110 HydrophobicContact CG2-CE1 3.93Å; N84-Y110 PolarHBondContact N-O 2.91Å; D104-Y110 HydrophobicContact CB-CD2 3.62Å; D104-Y110 HydrophobicContact CB-CE2 3.61Å; D106-Y110 WeakPolarHBondContact OD1-CE2 3.42Å; D106-Y110 WeakPolarHBondContact OD2-CE2 3.37Å; D106-Y110 PolarHBondContact OD2-OH 3.04Å; F108-Y110 HydrophobicContact CB-CD2 4.15Å; F108-Y110 HydrophobicContact CB-CE2 3.51Å
111M97Very high91Very high2 Ų250.4 Ų50.41%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-137.1152.6173.8-58.9176.4-179.800110.7V33 I34 I35 E36 M60 L63 L81 L82 V83 L109V33-M111 HydrophobicContact CG1-CE 4.24Å; V33-M111 HydrophobicContact CG1-CG 4.27Å; V33-M111 HydrophobicContact CG1-SD 3.98Å; I34-M111 PolarHBondContact O-N 3.02Å; I35-M111 WeakPolarHBondContact CA-O 3.43Å; I35-M111 HydrophobicContact CG1-CB 4.27Å; E36-M111 PolarHBondContact N-O 3.33Å; M60-M111 HydrophobicContact CE-CE 3.78Å; M60-M111 HydrophobicContact CE-SD 4.17Å; M60-M111 HydrophobicContact SD-CE 3.95Å; L63-M111 HydrophobicContact CD2-CE 4.08Å; L63-M111 HydrophobicContact CD2-SD 3.84Å; L81-M111 HydrophobicContact CD1-CB 3.91Å; L81-M111 HydrophobicContact CD1-SD 4.29Å; L81-M111 HydrophobicContact CD2-SD 3.72Å; L81-M111 HydrophobicContact CG-CB 4.29Å; L81-M111 HydrophobicContact CG-SD 3.92Å; L82-M111 CarbonylContact O-C 3.52Å; L82-M111 WeakPolarHBondContact O-CA 3.23Å; L82-M111 WeakPolarHBondContact O-CB 3.45Å; V83-M111 HydrophobicContact CG2-CE 4.01Å; V83-M111 HydrophobicContact CG2-CG 4.26Å; L109-M111 HydrophobicContact CD2-CE 3.44Å; L109-M111 VanDerWaalsContact CD2-CE 3.44Å; L109-M111 HydrophobicContact CG-CE 3.9Å
112V95.4Very high89.6Confident28 Ų2843.2 Ų43.217%0.1724%0.236CC..EExtended strand (participates in β ladder)trans-126.5148.6170.5-61.50000110.9E36 Y38 L82E36-V112 CarbonylContact O-C 3.51Å; E36-V112 WeakPolarHBondContact O-CA 3.33Å; Y38-V112 HydrophobicContact CD2-CG2 3.98Å; L82-V112 HydrophobicContact CB-CG2 3.88Å; L82-V112 HydrophobicContact CD1-CG2 4.21Å; L82-V112 PolarHBondContact N-O 3.23Å; L82-V112 PolarHBondContact O-N 2.68Å
113Y94.9Very high87.7Confident2 Ų243.2 Ų43.21%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-111.8143.2172.668.8-88.8000112.3I35 E36 R37 Y38 L44 P45 I46 L47 L71 F80I35-Y113 HydrophobicContact CG2-CD1 4.08Å; E36-Y113 WeakPolarHBondContact O-CD1 3.47Å; E36-Y113 PolarHBondContact O-N 3.29Å; R37-Y113 VanDerWaalsContact CA-CE1 3.48Å; R37-Y113 HydrophobicContact CB-CE1 3.85Å; R37-Y113 HydrophobicContact CB-CE2 4.11Å; R37-Y113 HydrophobicContact CG-CE2 3.96Å; Y38-Y113 WeakPolarHBondContact CB-O 3.49Å; Y38-Y113 PolarHBondContact N-O 3.38Å; L44-Y113 HydrophobicContact CB-CD2 4.37Å; L44-Y113 HydrophobicContact CB-CE2 4.05Å; L44-Y113 HydrophobicContact CD1-CD2 3.84Å; L44-Y113 HydrophobicContact CD1-CE2 4.36Å; P45-Y113 WeakPolarHBondContact O-CE2 3.39Å; P45-Y113 PolarHBondContact O-OH 3.36Å; I46-Y113 WeakPolarHBondContact CA-OH 3.34Å; L47-Y113 HydrophobicContact CD1-CD1 4.17Å; L47-Y113 HydrophobicContact CD1-CE1 3.69Å; L47-Y113 HydrophobicContact CG-CE1 3.89Å; L47-Y113 PolarHBondContact N-OH 3.1Å; L47-Y113 VanDerWaalsContact N-OH 3.16Å; L71-Y113 HydrophobicContact CD1-CD2 3.88Å; L71-Y113 HydrophobicContact CD1-CE2 3.98Å; L71-Y113 HydrophobicContact CD1-CG 4.36Å; L71-Y113 HydrophobicContact CD2-CD2 4.46Å; L71-Y113 HydrophobicContact CD2-CE2 3.74Å; F80-Y113 WeakPolarHBondContact O-CA 3.45Å
114A93.5Very high85.5Confident0 Ų045.5 Ų45.50%027%0.267CS..EExtended strand (participates in β ladder)trans-147.2153.8-179.900000110.8Y38 L44 F79 F80 T118 M122Y38-A114 HydrophobicContact CG-CB 4.46Å; L44-A114 VanDerWaalsContact CD1-C 3.49Å; F79-A114 CarbonylContact C-O 3.56Å; F79-A114 VanDerWaalsContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CA-O 3.28Å; F79-A114 WeakPolarHBondContact CB-O 3.36Å; F80-A114 PolarHBondContact N-O 3.46Å; F80-A114 PolarHBondContact O-N 2.87Å; F80-A114 VanDerWaalsContact O-N 3.12Å; A114-T118 HydrophobicContact CB-CG2 4.21Å; A114-M122 HydrophobicContact CB-CE 4.05Å
115S92.4Very high82.9Confident1 Ų156.2 Ų56.21%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-72.4167.6172.290.30000110.4E41 E117 T118 F119E41-S115 WeakPolarHBondContact OE2-CB 3.29Å; E41-S115 PolarHBondContact OE2-N 2.82Å; E41-S115 PolarHBondContact OE2-OG 2.8Å; S115-E117 VanDerWaalsContact C-N 3.34Å; S115-E117 VanDerWaalsContact CB-OE2 3.23Å; S115-E117 WeakPolarHBondContact CB-OE2 3.31Å; S115-E117 PolarHBondContact OG-N 2.94Å; S115-E117 PolarHBondContact OG-OE2 3.2Å; S115-T118 PolarHBondContact O-N 3.3Å; S115-T118 PolarHBondContact OG-N 3.08Å; S115-T118 PolarHBondContact OG-OG1 2.8Å; S115-F119 WeakPolarHBondContact O-CB 3.48Å; S115-F119 PolarHBondContact O-N 2.96Å
116Q86Confident82.2Confident112 Ų11251.6 Ų51.652%0.52329%0.292SS..Hα-helixtrans-66.6-37.9177.7178.5175.5-7.700112.6A78 F80 F119 G120A78-Q116 HydrophobicContact CB-CB 4.28Å; F80-Q116 HydrophobicContact CE2-CB 3.86Å; F80-Q116 HydrophobicContact CE2-CG 4.03Å; Q116-F119 PolarHBondContact O-N 3.28Å; Q116-G120 PolarHBondContact O-N 3.49Å
117E83.8Confident81.3Confident104 Ų10454.1 Ų54.149%0.48631%0.306SS..Hα-helixtrans-61.8-45.7176.4-57.975.8-169.900110.5Q43 S115Q43-E117 PolarHBondContact OE1-OE2 2.75Å; S115-E117 VanDerWaalsContact C-N 3.34Å; S115-E117 VanDerWaalsContact CB-OE2 3.23Å; S115-E117 WeakPolarHBondContact CB-OE2 3.31Å; S115-E117 PolarHBondContact OG-N 2.94Å; S115-E117 PolarHBondContact OG-OE2 3.2Å
118T82.8Confident80.4Confident13 Ų1356.3 Ų56.38%0.0832%0.315CS..Hα-helixtrans-64.8-44.1175.6-55.40000110.6Y38 E41 A114 S115 G120 T121 M122Y38-T118 HydrophobicContact CD1-CG2 3.91Å; Y38-T118 HydrophobicContact CE1-CG2 4.31Å; E41-T118 HydrophobicContact CB-CG2 4.4Å; E41-T118 WeakPolarHBondContact OE2-CB 3.33Å; E41-T118 PolarHBondContact OE2-OG1 3.44Å; A114-T118 HydrophobicContact CB-CG2 4.21Å; S115-T118 PolarHBondContact O-N 3.3Å; S115-T118 PolarHBondContact OG-N 3.08Å; S115-T118 PolarHBondContact OG-OG1 2.8Å; T118-G120 PolarHBondContact O-N 2.94Å; T118-T121 PolarHBondContact O-N 3.45Å; T118-T121 VanDerWaalsContact O-N 3.16Å; T118-T121 PolarHBondContact O-OG1 2.78Å; T118-M122 WeakPolarHBondContact O-CG 3.48Å; T118-M122 PolarHBondContact O-N 2.91Å
119F76Confident79.3Confident48 Ų4858.9 Ų58.921%0.21133%0.33CS..Hα-helixtrans-61.2-42.6179.2-172.9-94000113.6F80 L82 M88 S115 Q116 T121 M122 A123F80-F119 HydrophobicContact CD2-CB 3.69Å; F80-F119 HydrophobicContact CD2-CD1 4.29Å; F80-F119 HydrophobicContact CD2-CD2 4.37Å; F80-F119 AromaticContact CD2-CG 3.86Å; F80-F119 HydrophobicContact CD2-CG 3.86Å; F80-F119 HydrophobicContact CE2-CB 4.03Å; F80-F119 HydrophobicContact CE2-CD1 4.16Å; F80-F119 HydrophobicContact CE2-CG 4.16Å; F80-F119 HydrophobicContact CG-CD2 4.45Å; F80-F119 HydrophobicContact CG-CG 4.34Å; L82-F119 HydrophobicContact CD1-CD2 4.07Å; L82-F119 HydrophobicContact CD1-CE2 4.12Å; L82-F119 HydrophobicContact CD2-CD2 4.12Å; L82-F119 HydrophobicContact CD2-CE2 3.64Å; L82-F119 HydrophobicContact CG-CE2 4.49Å; M88-F119 HydrophobicContact CE-CZ 4.29Å; M88-F119 HydrophobicContact SD-CZ 4.26Å; S115-F119 WeakPolarHBondContact O-CB 3.48Å; S115-F119 PolarHBondContact O-N 2.96Å; Q116-F119 PolarHBondContact O-N 3.28Å; F119-T121 PolarHBondContact O-N 2.92Å; F119-T121 VanDerWaalsContact O-N 3.13Å; F119-M122 HydrophobicContact CB-CE 4.02Å; F119-M122 HydrophobicContact CD2-CE 3.58Å; F119-M122 HydrophobicContact CE2-CE 4.45Å; F119-M122 HydrophobicContact CG-CE 4.2Å; F119-M122 PolarHBondContact O-N 3.08Å; F119-A123 PolarHBondContact O-N 2.87Å
120G69.1Low78.2Confident56 Ų5662.6 Ų62.658%0.57735%0.351SS*.Hα-helixtrans-60.4-22.8177.100000114.1Q116 T118Q116-G120 PolarHBondContact O-N 3.49Å; T118-G120 PolarHBondContact O-N 2.94Å
121T66.9Low76.9Confident118 Ų11865.2 Ų65.272%0.72437%0.369SS*.Hα-helixtrans-88.2-11.9174.665.30000114.3T118 F119T118-T121 PolarHBondContact O-N 3.45Å; T118-T121 VanDerWaalsContact O-N 3.16Å; T118-T121 PolarHBondContact O-OG1 2.78Å; F119-T121 PolarHBondContact O-N 2.92Å; F119-T121 VanDerWaalsContact O-N 3.13Å
122M64.7Low75.4Confident52 Ų5269.7 Ų69.726%0.25639%0.394SS..Hα-helixtrans-91.8-27.7-179.6-67.6-170.5-70.200113.5Y38 L82 A114 T118 F119Y38-M122 HydrophobicContact CD1-SD 3.75Å; Y38-M122 HydrophobicContact CD2-SD 3.98Å; Y38-M122 HydrophobicContact CE1-CG 4.1Å; Y38-M122 HydrophobicContact CE1-SD 3.26Å; Y38-M122 WeakPolarHBondContact CE1-SD 3.44Å; Y38-M122 HydrophobicContact CE2-SD 3.48Å; Y38-M122 WeakPolarHBondContact CE2-SD 3.11Å; Y38-M122 HydrophobicContact CG-SD 4.1Å; Y38-M122 PolarHBondContact OH-SD 3.22Å; Y38-M122 VanDerWaalsContact OH-SD 3.38Å; L82-M122 HydrophobicContact CD1-CE 3.86Å; A114-M122 HydrophobicContact CB-CE 4.05Å; T118-M122 WeakPolarHBondContact O-CG 3.48Å; T118-M122 PolarHBondContact O-N 2.91Å; F119-M122 HydrophobicContact CB-CE 4.02Å; F119-M122 HydrophobicContact CD2-CE 3.58Å; F119-M122 HydrophobicContact CE2-CE 4.45Å; F119-M122 HydrophobicContact CG-CE 4.2Å; F119-M122 PolarHBondContact O-N 3.08Å
123A56.9Low73.9Confident52 Ų5272.9 Ų72.943%0.4341%0.411SS..SBendtrans-70.8129.7176.800000109.3F119 Q125F119-A123 PolarHBondContact O-N 2.87Å; A123-Q125 PolarHBondContact O-N 3.49Å
124P50.5Low72.1Confident123 Ų12378.8 Ų78.880%0.79945%0.445SS*.  trans-58.2132.516625.1-30000108.1
125Q43.2Very low70.2Confident267 Ų26786 Ų86100%1.24849%0.485SS*.  trans-61.20169.9-68.9-170.729.500110.7A123A123-Q125 PolarHBondContact O-N 3.49Å

Retrieved 125 of 125 residues in 450.3 ms (Link to these results)

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