A0A077ZGL9_TRITR Loading...

PseudoU synth 2 and S4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGL9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 238 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
1M86.3Confident93Very high180 Ų18044.8 Ų44.889%0.88721%0.211SC*.  01410-63.4-171.6-80.200108.5K41 V42M1-K41 HydrophobicContact CB-CB 4.04Å; M1-K41 HydrophobicContact CB-CD 4.45Å; M1-K41 HydrophobicContact SD-CB 4.49Å; M1-V42 CarbonylContact C-O 3.5Å; M1-V42 WeakPolarHBondContact CA-O 3.47Å
2E91.1Very high92.7Very high65 Ų6542.5 Ų42.530%0.30421%0.208SC..EExtended strand (participates in β ladder)trans-123.4153.4179.9-67.4-171.283.300110.4K6 V7 K41 V42E2-K6 WeakPolarHBondContact OE1-CD 3.49Å; E2-K6 WeakPolarHBondContact OE1-CE 3.21Å; E2-K6 IonicContact OE1-NZ 3.33Å; E2-K6 PolarHBondContact OE1-NZ 2.94Å; E2-V7 HydrophobicContact CB-CG2 3.93Å; E2-K41 CarbonylContact O-C 3.49Å; E2-K41 WeakPolarHBondContact O-CA 3.06Å; E2-V42 PolarHBondContact N-O 3.31Å; E2-V42 PolarHBondContact O-N 3.08Å
3R95.2Very high92.7Very high132 Ų13245 Ų4550%0.49822%0.221SC..EExtended strand (participates in β ladder)trans-66.1136.5176.5-73.5-172.1176.2-175.30.4110.4Q5 K6 V7 K41R3-Q5 VanDerWaalsContact C-N 3.31Å; R3-Q5 PolarHBondContact O-N 3.37Å; R3-K6 HydrophobicContact CB-CB 4.47Å; R3-K6 WeakPolarHBondContact O-CA 3.4Å; R3-K6 VanDerWaalsContact O-CB 3.3Å; R3-K6 WeakPolarHBondContact O-CB 3.47Å; R3-K6 PolarHBondContact O-N 2.98Å; R3-V7 PolarHBondContact O-N 2.87Å; R3-K41 HydrophobicContact CG-CG 4.49Å
4L96.2Very high92.6Very high0 Ų042.2 Ų42.20%021%0.209CC..Hα-helixtrans-54.2-43.2-175.7-178.355.2000113K6 V7 I8 I23 V28 V30 I35 T40 V42 V48L4-K6 VanDerWaalsContact C-N 3.26Å; L4-K6 PolarHBondContact O-N 3.46Å; L4-V7 PolarHBondContact O-N 3.28Å; L4-V7 VanDerWaalsContact O-N 3.15Å; L4-I8 HydrophobicContact CD1-CD1 4.26Å; L4-I8 HydrophobicContact CD1-CG1 4.4Å; L4-I8 HydrophobicContact CG-CD1 4.07Å; L4-I8 WeakPolarHBondContact O-CG1 3.42Å; L4-I8 PolarHBondContact O-N 3Å; L4-I23 HydrophobicContact CB-CD1 4.07Å; L4-I23 HydrophobicContact CD2-CD1 3.94Å; L4-I23 HydrophobicContact CD2-CG1 3.98Å; L4-I23 HydrophobicContact CG-CD1 3.83Å; L4-I23 HydrophobicContact CG-CG1 4.22Å; L4-V28 HydrophobicContact CD1-CG1 4.1Å; L4-V28 HydrophobicContact CD2-CG1 3.88Å; L4-V28 HydrophobicContact CG-CG1 4.22Å; L4-V30 HydrophobicContact CD1-CG2 3.85Å; L4-V30 HydrophobicContact CD2-CG2 4Å; L4-I35 HydrophobicContact CD2-CB 3.98Å; L4-I35 HydrophobicContact CD2-CG1 4.35Å; L4-I35 HydrophobicContact CD2-CG2 3.72Å; L4-T40 WeakPolarHBondContact CB-O 3.45Å; L4-T40 PolarHBondContact N-O 3.14Å; L4-V42 HydrophobicContact CD1-CG1 4.04Å; L4-V48 HydrophobicContact CD1-CG1 3.63Å; L4-V48 HydrophobicContact CD1-CG2 4.02Å
5Q96.2Very high92.6Very high3 Ų342.5 Ų42.51%0.01422%0.217CC..Hα-helixtrans-67-23.9176.873.3-88.93800114R3 A9 A19 E20 I23R3-Q5 VanDerWaalsContact C-N 3.31Å; R3-Q5 PolarHBondContact O-N 3.37Å; Q5-A9 VanDerWaalsContact O-CB 3.31Å; Q5-A9 WeakPolarHBondContact O-CB 3.29Å; Q5-A9 PolarHBondContact O-N 2.88Å; Q5-A19 HydrophobicContact CB-CB 3.92Å; Q5-E20 HydrophobicContact CB-CG 3.78Å; Q5-E20 HydrophobicContact CG-CG 3.77Å; Q5-E20 PolarHBondContact NE2-OE1 3.07Å; Q5-I23 HydrophobicContact CB-CD1 3.97Å
6K93.7Very high92.7Very high36 Ų3647.8 Ų47.816%0.15723%0.233CC..Hα-helixtrans-71.9-44.4172.4-178.5178.7169179.60109.3E2 R3 L4 A9 H10 D116E2-K6 WeakPolarHBondContact OE1-CD 3.49Å; E2-K6 WeakPolarHBondContact OE1-CE 3.21Å; E2-K6 IonicContact OE1-NZ 3.33Å; E2-K6 PolarHBondContact OE1-NZ 2.94Å; R3-K6 HydrophobicContact CB-CB 4.47Å; R3-K6 WeakPolarHBondContact O-CA 3.4Å; R3-K6 VanDerWaalsContact O-CB 3.3Å; R3-K6 WeakPolarHBondContact O-CB 3.47Å; R3-K6 PolarHBondContact O-N 2.98Å; L4-K6 VanDerWaalsContact C-N 3.26Å; L4-K6 PolarHBondContact O-N 3.46Å; K6-A9 PolarHBondContact O-N 3.47Å; K6-H10 WeakPolarHBondContact CE-CE1 3.4Å; K6-H10 WeakPolarHBondContact CE-NE2 3.29Å; K6-H10 WeakPolarHBondContact O-CB 3.5Å; K6-H10 PolarHBondContact O-CD2 3.31Å; K6-H10 PolarHBondContact O-N 2.93Å; K6-D116 IonicContact NZ-OD1 2.82Å; K6-D116 PolarHBondContact NZ-OD1 2.82Å; K6-D116 IonicContact NZ-OD2 3.23Å; K6-D116 PolarHBondContact NZ-OD2 3.34Å
7V93.7Very high92.7Very high19 Ų1956.8 Ų56.812%0.11526%0.264CS..Hα-helixtrans-61.5-47.9177.9177.60000111.5E2 R3 L4 A9 H10 A11 V42 V48 I55E2-V7 HydrophobicContact CB-CG2 3.93Å; R3-V7 PolarHBondContact O-N 2.87Å; L4-V7 PolarHBondContact O-N 3.28Å; L4-V7 VanDerWaalsContact O-N 3.15Å; V7-A9 VanDerWaalsContact C-N 3.27Å; V7-A9 PolarHBondContact O-N 2.84Å; V7-H10 PolarHBondContact O-N 3.19Å; V7-A11 PolarHBondContact O-N 3.4Å; V7-V42 HydrophobicContact CB-CG2 4.27Å; V7-V42 HydrophobicContact CG2-CG2 3.61Å; V7-V48 HydrophobicContact CG1-CG2 4.32Å; V7-I55 HydrophobicContact CG1-CD1 4.46Å
8I94.8Very high92.8Very high0 Ų058.3 Ų58.30%027%0.27CS..Hα-helixtrans-58.8-40.6176-63.5165.5000111.4L4 A11 I13 A14 A19 I23 V28 V48 V50 I55L4-I8 HydrophobicContact CD1-CD1 4.26Å; L4-I8 HydrophobicContact CD1-CG1 4.4Å; L4-I8 HydrophobicContact CG-CD1 4.07Å; L4-I8 WeakPolarHBondContact O-CG1 3.42Å; L4-I8 PolarHBondContact O-N 3Å; I8-A11 PolarHBondContact O-N 2.98Å; I8-I13 HydrophobicContact CG2-CB 3.86Å; I8-I13 HydrophobicContact CG2-CG1 4.49Å; I8-I13 HydrophobicContact CG2-CG2 4.08Å; I8-I13 PolarHBondContact O-N 2.76Å; I8-A14 HydrophobicContact CG2-CB 4.49Å; I8-A19 HydrophobicContact CB-CB 3.78Å; I8-A19 HydrophobicContact CD1-CB 4.17Å; I8-A19 HydrophobicContact CG2-CB 3.59Å; I8-I23 HydrophobicContact CD1-CD1 4.19Å; I8-I23 HydrophobicContact CD1-CG1 4.05Å; I8-V28 HydrophobicContact CD1-CG1 3.94Å; I8-V28 HydrophobicContact CD1-CG2 3.74Å; I8-V48 HydrophobicContact CG1-CG1 4.39Å; I8-V50 HydrophobicContact CD1-CG2 4.34Å; I8-V50 HydrophobicContact CG1-CG2 4.11Å; I8-V50 HydrophobicContact CG2-CG2 4.17Å; I8-I55 HydrophobicContact CB-CD1 4.23Å; I8-I55 HydrophobicContact CG1-CD1 3.82Å
9A92.9Very high93Very high10 Ų1055.2 Ų55.28%0.08326%0.255CS..Hα-helixtrans-71.1-35.217900000113.6Q5 K6 V7 A11 G12 A14 R16Q5-A9 VanDerWaalsContact O-CB 3.31Å; Q5-A9 WeakPolarHBondContact O-CB 3.29Å; Q5-A9 PolarHBondContact O-N 2.88Å; K6-A9 PolarHBondContact O-N 3.47Å; V7-A9 VanDerWaalsContact C-N 3.27Å; V7-A9 PolarHBondContact O-N 2.84Å; A9-A11 VanDerWaalsContact C-N 3.29Å; A9-G12 PolarHBondContact O-N 3.37Å; A9-A14 WeakPolarHBondContact CA-O 3.49Å; A9-A14 WeakPolarHBondContact CB-O 3.45Å; A9-R16 HydrophobicContact CB-CB 4.48Å; A9-R16 HydrophobicContact CB-CG 3.62Å
10H91.3Very high93.2Very high37 Ų3755.5 Ų55.517%0.17126%0.257CS..Hα-helixtrans-71.6-24.3175-77.3-159.3000112.8K6 V7 G12 E58K6-H10 WeakPolarHBondContact CE-CE1 3.4Å; K6-H10 WeakPolarHBondContact CE-NE2 3.29Å; K6-H10 WeakPolarHBondContact O-CB 3.5Å; K6-H10 PolarHBondContact O-CD2 3.31Å; K6-H10 PolarHBondContact O-N 2.93Å; V7-H10 PolarHBondContact O-N 3.19Å; H10-G12 PolarHBondContact O-N 3.13Å; H10-E58 PolarHBondContact O-N 2.85Å
11A91.2Very high93.4Very high11 Ų1157.6 Ų57.69%0.09127%0.267CS..THydrogen-bonded Turntrans-79.59.8171.800000113.7V7 I8 A9 I13 I55 Y56V7-A11 PolarHBondContact O-N 3.4Å; I8-A11 PolarHBondContact O-N 2.98Å; A9-A11 VanDerWaalsContact C-N 3.29Å; A11-I13 HydrophobicContact CB-CG1 4.06Å; A11-I13 PolarHBondContact O-N 3.13Å; A11-I13 VanDerWaalsContact O-N 3.13Å; A11-I55 HydrophobicContact CB-CB 3.87Å; A11-I55 HydrophobicContact CB-CD1 3.82Å; A11-I55 HydrophobicContact CB-CG1 4.24Å; A11-Y56 WeakPolarHBondContact CA-O 3.35Å; A11-Y56 WeakPolarHBondContact CB-O 3.34Å
12G90.5Very high94Very high17 Ų1750.9 Ų50.918%0.17523%0.232CC..THydrogen-bonded Turntrans74.4-1.8177.800000116.1A9 H10 E58 R94A9-G12 PolarHBondContact O-N 3.37Å; H10-G12 PolarHBondContact O-N 3.13Å; G12-E58 WeakPolarHBondContact CA-OE1 3.48Å; G12-R94 WeakPolarHBondContact O-CD 3.31Å
13I91.9Very high94.3Very high75 Ų7547.8 Ų47.839%0.38522%0.218SC..SBendtrans-70.6-40.5-170.7-55.4-59.2000113.2I8 A11 Y22 V50 I55I8-I13 HydrophobicContact CG2-CB 3.86Å; I8-I13 HydrophobicContact CG2-CG1 4.49Å; I8-I13 HydrophobicContact CG2-CG2 4.08Å; I8-I13 PolarHBondContact O-N 2.76Å; A11-I13 HydrophobicContact CB-CG1 4.06Å; A11-I13 PolarHBondContact O-N 3.13Å; A11-I13 VanDerWaalsContact O-N 3.13Å; I13-Y22 HydrophobicContact CG2-CE2 4.07Å; I13-V50 HydrophobicContact CG2-CB 4.42Å; I13-V50 HydrophobicContact CG2-CG1 4.15Å; I13-V50 HydrophobicContact CG2-CG2 4.42Å; I13-I55 HydrophobicContact CD1-CG2 3.87Å; I13-I55 HydrophobicContact CG1-CB 4.35Å; I13-I55 HydrophobicContact CG1-CG2 3.78Å
14A92Very high94.4Very high6 Ų645.3 Ų45.35%0.0522%0.217CC..SBendtrans-160165.2-172.300000111.9I8 A9 K18 A19 Y22I8-A14 HydrophobicContact CG2-CB 4.49Å; A9-A14 WeakPolarHBondContact CA-O 3.49Å; A9-A14 WeakPolarHBondContact CB-O 3.45Å; A14-K18 HydrophobicContact CB-CB 3.96Å; A14-K18 HydrophobicContact CB-CG 4.03Å; A14-A19 HydrophobicContact CB-CB 4.35Å; A14-Y22 HydrophobicContact CB-CD2 4.24Å; A14-Y22 HydrophobicContact CB-CE2 3.71Å
15S92.1Very high94.5Very high46 Ų4647.8 Ų47.832%0.32224%0.242SC..  trans-65158.2162.778.30000110R17 K18 A19S15-R17 PolarHBondContact O-N 2.83Å; S15-K18 PolarHBondContact O-N 2.98Å; S15-K18 WeakPolarHBondContact OG-CB 3.39Å; S15-K18 PolarHBondContact OG-N 3.12Å; S15-K18 VanDerWaalsContact OG-N 3.15Å; S15-A19 WeakPolarHBondContact O-CB 3.27Å; S15-A19 PolarHBondContact O-N 3.06Å
16R93.6Very high94.5Very high127 Ų12748.7 Ų48.748%0.47925%0.253SS..Hα-helixtrans-53.2-40.1176.7-71.2177.960.5179.6-1.9113.1A9 A19 E20A9-R16 HydrophobicContact CB-CB 4.48Å; A9-R16 HydrophobicContact CB-CG 3.62Å; R16-A19 PolarHBondContact O-N 3.18Å; R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 2.96Å; R16-E20 VanDerWaalsContact O-N 3.1Å
17R93.9Very high94.7Very high201 Ų20152 Ų5276%0.75826%0.264SS*.Hα-helixtrans-69.2-41.9177.5-69.9-178.9178.8156.1-2.4112S15 A19 E20 E21S15-R17 PolarHBondContact O-N 2.83Å; R17-A19 VanDerWaalsContact C-N 3.29Å; R17-A19 PolarHBondContact O-N 3.14Å; R17-E20 WeakPolarHBondContact O-CB 3.42Å; R17-E20 PolarHBondContact O-N 3.39Å; R17-E20 VanDerWaalsContact O-N 3.13Å; R17-E21 PolarHBondContact O-N 3.5Å; R17-E21 VanDerWaalsContact O-N 3.17Å
18K94.3Very high94.9Very high84 Ų8451.1 Ų51.137%0.36526%0.259SS..Hα-helixtrans-67.9-32.5177.3-172.462.9174-179.90111.8A14 S15 E20 E21 Y22A14-K18 HydrophobicContact CB-CB 3.96Å; A14-K18 HydrophobicContact CB-CG 4.03Å; S15-K18 PolarHBondContact O-N 2.98Å; S15-K18 WeakPolarHBondContact OG-CB 3.39Å; S15-K18 PolarHBondContact OG-N 3.12Å; S15-K18 VanDerWaalsContact OG-N 3.15Å; K18-E20 VanDerWaalsContact C-N 3.35Å; K18-E21 HydrophobicContact CD-CB 4.48Å; K18-E21 VanDerWaalsContact CD-OE2 3.22Å; K18-E21 WeakPolarHBondContact CD-OE2 3.31Å; K18-E21 WeakPolarHBondContact CE-OE2 3.4Å; K18-E21 IonicContact NZ-OE2 2.84Å; K18-E21 PolarHBondContact NZ-OE2 3.02Å; K18-E21 WeakPolarHBondContact O-CB 3.28Å; K18-E21 PolarHBondContact O-N 3.2Å; K18-Y22 HydrophobicContact CD-CE1 4.18Å; K18-Y22 HydrophobicContact CG-CE1 4.06Å; K18-Y22 WeakPolarHBondContact O-CD1 3.19Å; K18-Y22 PolarHBondContact O-N 2.89Å; K18-Y22 VanDerWaalsContact O-N 3.09Å
19A96.6Very high95Very high0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-64.9-36.8170.700000112.1Q5 I8 A14 S15 R16 R17 E21 Y22 I23Q5-A19 HydrophobicContact CB-CB 3.92Å; I8-A19 HydrophobicContact CB-CB 3.78Å; I8-A19 HydrophobicContact CD1-CB 4.17Å; I8-A19 HydrophobicContact CG2-CB 3.59Å; A14-A19 HydrophobicContact CB-CB 4.35Å; S15-A19 WeakPolarHBondContact O-CB 3.27Å; S15-A19 PolarHBondContact O-N 3.06Å; R16-A19 PolarHBondContact O-N 3.18Å; R17-A19 VanDerWaalsContact C-N 3.29Å; R17-A19 PolarHBondContact O-N 3.14Å; A19-E21 VanDerWaalsContact C-N 3.32Å; A19-E21 PolarHBondContact O-N 3.29Å; A19-Y22 PolarHBondContact O-N 3.48Å; A19-I23 VanDerWaalsContact O-CG1 3.28Å; A19-I23 WeakPolarHBondContact O-CG1 3.47Å; A19-I23 PolarHBondContact O-N 2.86Å
20E97.5Very high95.3Very high60 Ų6055.1 Ų55.128%0.2828%0.275SS..Hα-helixtrans-61-41171.6-69.1171.9170.600111.4Q5 R16 R17 K18 Y22 I23 T24 L38Q5-E20 HydrophobicContact CB-CG 3.78Å; Q5-E20 HydrophobicContact CG-CG 3.77Å; Q5-E20 PolarHBondContact NE2-OE1 3.07Å; R16-E20 WeakPolarHBondContact O-CG 3.42Å; R16-E20 PolarHBondContact O-N 2.96Å; R16-E20 VanDerWaalsContact O-N 3.1Å; R17-E20 WeakPolarHBondContact O-CB 3.42Å; R17-E20 PolarHBondContact O-N 3.39Å; R17-E20 VanDerWaalsContact O-N 3.13Å; K18-E20 VanDerWaalsContact C-N 3.35Å; E20-Y22 VanDerWaalsContact C-N 3.34Å; E20-Y22 PolarHBondContact O-N 3.05Å; E20-I23 PolarHBondContact O-N 3.24Å; E20-T24 PolarHBondContact O-N 3.34Å; E20-T24 PolarHBondContact O-OG1 2.91Å; E20-T24 VanDerWaalsContact O-OG1 3.14Å; E20-L38 HydrophobicContact CB-CD2 3.72Å; E20-L38 HydrophobicContact CG-CD2 3.88Å
21E97.5Very high95.5Very high101 Ų10157.5 Ų57.547%0.47229%0.29SS..Hα-helixtrans-60.8-41.2173.7-64.3169.8-140.700112.2R17 K18 A19 T24 G25R17-E21 PolarHBondContact O-N 3.5Å; R17-E21 VanDerWaalsContact O-N 3.17Å; K18-E21 HydrophobicContact CD-CB 4.48Å; K18-E21 VanDerWaalsContact CD-OE2 3.22Å; K18-E21 WeakPolarHBondContact CD-OE2 3.31Å; K18-E21 WeakPolarHBondContact CE-OE2 3.4Å; K18-E21 IonicContact NZ-OE2 2.84Å; K18-E21 PolarHBondContact NZ-OE2 3.02Å; K18-E21 WeakPolarHBondContact O-CB 3.28Å; K18-E21 PolarHBondContact O-N 3.2Å; A19-E21 VanDerWaalsContact C-N 3.32Å; A19-E21 PolarHBondContact O-N 3.29Å; E21-T24 WeakPolarHBondContact CA-OG1 3.48Å; E21-T24 PolarHBondContact O-N 3.14Å; E21-T24 PolarHBondContact O-OG1 3.39Å; E21-T24 VanDerWaalsContact O-OG1 3.04Å; E21-G25 PolarHBondContact O-N 3.16Å
22Y97.3Very high95.7Very high39 Ų3959.2 Ų59.215%0.15331%0.308CS..Hα-helixtrans-63.7-41.8176.6-65-12000112.2I13 A14 K18 A19 E20 G25 G26 R27 V50I13-Y22 HydrophobicContact CG2-CE2 4.07Å; A14-Y22 HydrophobicContact CB-CD2 4.24Å; A14-Y22 HydrophobicContact CB-CE2 3.71Å; K18-Y22 HydrophobicContact CD-CE1 4.18Å; K18-Y22 HydrophobicContact CG-CE1 4.06Å; K18-Y22 WeakPolarHBondContact O-CD1 3.19Å; K18-Y22 PolarHBondContact O-N 2.89Å; K18-Y22 VanDerWaalsContact O-N 3.09Å; A19-Y22 PolarHBondContact O-N 3.48Å; E20-Y22 VanDerWaalsContact C-N 3.34Å; E20-Y22 PolarHBondContact O-N 3.05Å; Y22-G25 PolarHBondContact O-N 2.66Å; Y22-G26 PolarHBondContact O-N 2.82Å; Y22-R27 WeakPolarHBondContact O-CB 3.44Å; Y22-R27 PolarHBondContact O-N 3.5Å; Y22-V50 HydrophobicContact CD2-CG1 3.96Å; Y22-V50 HydrophobicContact CE2-CG1 4.46Å
23I97.8Very high96Very high0 Ų065.2 Ų65.20%033%0.331CS..Hα-helixtrans-60.2-57.3175.1-65.8164.2000109L4 Q5 I8 A19 E20 G25 G26 V28 I35 K36 E37 L38L4-I23 HydrophobicContact CB-CD1 4.07Å; L4-I23 HydrophobicContact CD2-CD1 3.94Å; L4-I23 HydrophobicContact CD2-CG1 3.98Å; L4-I23 HydrophobicContact CG-CD1 3.83Å; L4-I23 HydrophobicContact CG-CG1 4.22Å; Q5-I23 HydrophobicContact CB-CD1 3.97Å; I8-I23 HydrophobicContact CD1-CD1 4.19Å; I8-I23 HydrophobicContact CD1-CG1 4.05Å; A19-I23 VanDerWaalsContact O-CG1 3.28Å; A19-I23 WeakPolarHBondContact O-CG1 3.47Å; A19-I23 PolarHBondContact O-N 2.86Å; E20-I23 PolarHBondContact O-N 3.24Å; I23-G25 PolarHBondContact O-N 2.83Å; I23-G25 VanDerWaalsContact O-N 3.14Å; I23-G26 PolarHBondContact O-N 2.77Å; I23-V28 HydrophobicContact CG1-CB 4.26Å; I23-V28 HydrophobicContact CG1-CG2 3.84Å; I23-I35 HydrophobicContact CG2-CG2 4.24Å; I23-K36 WeakPolarHBondContact O-CA 3.34Å; I23-E37 WeakPolarHBondContact CG2-O 3.48Å; I23-L38 HydrophobicContact CB-CD2 4.17Å; I23-L38 HydrophobicContact CD1-CD2 4.5Å; I23-L38 HydrophobicContact CG2-CD2 4.07Å
24T97.7Very high96.3Very high79 Ų7965.4 Ų65.449%0.48534%0.336SS..Hα-helixtrans-61.5-29.1-178.853.40000113.1E20 E21 G26 L38E20-T24 PolarHBondContact O-N 3.34Å; E20-T24 PolarHBondContact O-OG1 2.91Å; E20-T24 VanDerWaalsContact O-OG1 3.14Å; E21-T24 WeakPolarHBondContact CA-OG1 3.48Å; E21-T24 PolarHBondContact O-N 3.14Å; E21-T24 PolarHBondContact O-OG1 3.39Å; E21-T24 VanDerWaalsContact O-OG1 3.04Å; T24-G26 PolarHBondContact O-N 3.29Å; T24-L38 HydrophobicContact CG2-CD1 4.02Å; T24-L38 HydrophobicContact CG2-CD2 3.82Å; T24-L38 HydrophobicContact CG2-CG 3.81Å
25G97.4Very high96.6Very high52 Ų5266.5 Ų66.554%0.53634%0.34SS..THydrogen-bonded Turntrans-75.2-3.517500000114.7E21 Y22 I23 R27E21-G25 PolarHBondContact O-N 3.16Å; Y22-G25 PolarHBondContact O-N 2.66Å; I23-G25 PolarHBondContact O-N 2.83Å; I23-G25 VanDerWaalsContact O-N 3.14Å; G25-R27 VanDerWaalsContact C-N 3.3Å; G25-R27 PolarHBondContact O-N 2.88Å
26G97.2Very high96.8Very high22 Ų2270.8 Ų70.823%0.22735%0.354CS..THydrogen-bonded Turntrans70.822.9-178.800000114.2Y22 I23 T24Y22-G26 PolarHBondContact O-N 2.82Å; I23-G26 PolarHBondContact O-N 2.77Å; T24-G26 PolarHBondContact O-N 3.29Å
27R97.6Very high97Very high107 Ų10771.7 Ų71.740%0.40436%0.363SS..  trans-89.9-3.4-179.3-62.3176.867.2-176.73.9113.1Y22 G25 V50 D51Y22-R27 WeakPolarHBondContact O-CB 3.44Å; Y22-R27 PolarHBondContact O-N 3.5Å; G25-R27 VanDerWaalsContact C-N 3.3Å; G25-R27 PolarHBondContact O-N 2.88Å; R27-V50 WeakPolarHBondContact O-CA 3.44Å; R27-D51 IonicContact CZ-OD1 3.34Å; R27-D51 IonicContact CZ-OD2 3.23Å; R27-D51 VanDerWaalsContact CZ-OD2 3.23Å; R27-D51 IonicContact NE-OD1 2.71Å; R27-D51 PolarHBondContact NE-OD1 3.06Å; R27-D51 IonicContact NE-OD2 3.32Å; R27-D51 PolarHBondContact NE-OD2 2.9Å; R27-D51 IonicContact NH2-OD1 3.18Å; R27-D51 PolarHBondContact NH2-OD1 3.19Å; R27-D51 IonicContact NH2-OD2 2.6Å; R27-D51 PolarHBondContact NH2-OD2 2.84Å; R27-D51 PolarHBondContact O-N 3.25Å
28V98Very high97.1Very high0 Ų066.1 Ų66.10%035%0.348CS..EExtended strand (participates in β ladder)trans-112.9132-174.8-175.50000109.7L4 I8 I23 V34 I35 V48 E49 V50L4-V28 HydrophobicContact CD1-CG1 4.1Å; L4-V28 HydrophobicContact CD2-CG1 3.88Å; L4-V28 HydrophobicContact CG-CG1 4.22Å; I8-V28 HydrophobicContact CD1-CG1 3.94Å; I8-V28 HydrophobicContact CD1-CG2 3.74Å; I23-V28 HydrophobicContact CG1-CB 4.26Å; I23-V28 HydrophobicContact CG1-CG2 3.84Å; V28-V34 WeakPolarHBondContact O-CA 3.35Å; V28-I35 PolarHBondContact O-N 3.11Å; V28-V48 HydrophobicContact CG1-CG1 4.11Å; V28-E49 CarbonylContact C-O 3.48Å; V28-E49 VanDerWaalsContact CA-O 3.3Å; V28-E49 WeakPolarHBondContact CA-O 3.36Å; V28-V50 HydrophobicContact CG2-CG2 4.33Å
29K97.8Very high97.1Very high79 Ų7963.6 Ų63.634%0.34335%0.345SS..EExtended strand (participates in β ladder)trans-114.5147.9169.1-59.9177.2-178.5176.20111.1E33 V34 V48 E49K29-E33 CarbonylContact C-O 3.57Å; K29-E33 WeakPolarHBondContact CA-O 3.42Å; K29-V34 HydrophobicContact CG-CG2 4.03Å; K29-V48 WeakPolarHBondContact O-CA 3.44Å; K29-E49 HydrophobicContact CB-CB 4.23Å; K29-E49 PolarHBondContact N-O 2.88Å; K29-E49 PolarHBondContact O-N 3.07Å
30V97.5Very high97.1Very high14 Ų1465 Ų659%0.08535%0.354CS..EExtended strand (participates in β ladder)trans-126.7119.9169.1179.60000107.1L4 G32 E33 I35 V42 D46 I47 V48L4-V30 HydrophobicContact CD1-CG2 3.85Å; L4-V30 HydrophobicContact CD2-CG2 4Å; V30-G32 PolarHBondContact O-N 3.11Å; V30-E33 PolarHBondContact N-O 3.46Å; V30-E33 PolarHBondContact O-N 2.85Å; V30-I35 HydrophobicContact CB-CD1 4.35Å; V30-I35 HydrophobicContact CB-CG1 3.83Å; V30-I35 HydrophobicContact CG2-CG1 3.59Å; V30-V42 HydrophobicContact CB-CG1 4.47Å; V30-V42 HydrophobicContact CG1-CG1 3.75Å; V30-V42 HydrophobicContact CG2-CG1 3.84Å; V30-D46 HydrophobicContact CG1-CB 3.96Å; V30-I47 CarbonylContact C-O 3.56Å; V30-I47 WeakPolarHBondContact CA-O 3.46Å; V30-V48 HydrophobicContact CG2-CG2 4.37Å
31N96.5Very high97.1Very high88 Ų8868.2 Ų68.247%0.47137%0.367SS..THydrogen-bonded Turntrans51.837.6-176.3-56.2-35.6000113.2E33 D46 I47N31-E33 VanDerWaalsContact C-N 3.33Å; N31-E33 PolarHBondContact O-N 3.1Å; N31-D46 PolarHBondContact ND2-OD1 3.47Å; N31-D46 WeakPolarHBondContact OD1-CA 3.43Å; N31-I47 PolarHBondContact N-O 3.26Å; N31-I47 PolarHBondContact OD1-N 3.07Å
32G95.3Very high97Very high46 Ų4663.6 Ų63.647%0.47435%0.346SS..THydrogen-bonded Turntrans86.9-14.2-178.900000115.6V30V30-G32 PolarHBondContact O-N 3.11Å
33E97Very high96.8Very high144 Ų14463.1 Ų63.167%0.67335%0.353SS*.EExtended strand (participates in β ladder)trans-91.4132.8-179.3-63.9-173.417000112K29 V30 N31 I35K29-E33 CarbonylContact C-O 3.57Å; K29-E33 WeakPolarHBondContact CA-O 3.42Å; V30-E33 PolarHBondContact N-O 3.46Å; V30-E33 PolarHBondContact O-N 2.85Å; N31-E33 VanDerWaalsContact C-N 3.33Å; N31-E33 PolarHBondContact O-N 3.1Å; E33-I35 PolarHBondContact O-N 3.26Å
34V97.8Very high96.3Very high79 Ų7973.4 Ų73.448%0.47940%0.398SS..EExtended strand (participates in β ladder)trans-71.5120.7178.21770000110.1V28 K29 K36V28-V34 WeakPolarHBondContact O-CA 3.35Å; K29-V34 HydrophobicContact CG-CG2 4.03Å; V34-K36 HydrophobicContact CG1-CG 4.33Å
35I97.9Very high96Very high28 Ų2879.1 Ų79.114%0.14442%0.416CS..EExtended strand (participates in β ladder)trans-100.5126.6178.5-54.5-53.9000110L4 I23 V28 V30 E33 T40L4-I35 HydrophobicContact CD2-CB 3.98Å; L4-I35 HydrophobicContact CD2-CG1 4.35Å; L4-I35 HydrophobicContact CD2-CG2 3.72Å; I23-I35 HydrophobicContact CG2-CG2 4.24Å; V28-I35 PolarHBondContact O-N 3.11Å; V30-I35 HydrophobicContact CB-CD1 4.35Å; V30-I35 HydrophobicContact CB-CG1 3.83Å; V30-I35 HydrophobicContact CG2-CG1 3.59Å; E33-I35 PolarHBondContact O-N 3.26Å; I35-T40 HydrophobicContact CG2-CG2 4.05Å; I35-T40 WeakPolarHBondContact CG2-OG1 3.33Å
36K97.6Very high95.9Very high137 Ų13779.3 Ų79.360%0.59640%0.404SS*.  trans-118.5-10.7173.4-64.2-176.7-180-179.80114.1I23 V34I23-K36 WeakPolarHBondContact O-CA 3.34Å; V34-K36 HydrophobicContact CG1-CG 4.33Å
37E97.2Very high95.7Very high145 Ų14582.9 Ų82.968%0.67842%0.417SS*.  trans-80.2127.9-177.7-171.3-179.3167.900110.9I23 T40I23-E37 WeakPolarHBondContact CG2-O 3.48Å; E37-T40 PolarHBondContact O-OG1 3.38Å
38L96.3Very high95.7Very high85 Ų8578.1 Ų78.145%0.44540%0.4SS..THydrogen-bonded Turntrans-76.9137.5172.9-66.2-175.7000110.3E20 I23 T24E20-L38 HydrophobicContact CB-CD2 3.72Å; E20-L38 HydrophobicContact CG-CD2 3.88Å; I23-L38 HydrophobicContact CB-CD2 4.17Å; I23-L38 HydrophobicContact CD1-CD2 4.5Å; I23-L38 HydrophobicContact CG2-CD2 4.07Å; T24-L38 HydrophobicContact CG2-CD1 4.02Å; T24-L38 HydrophobicContact CG2-CD2 3.82Å; T24-L38 HydrophobicContact CG2-CG 3.81Å
39G94.9Very high95.6Very high30 Ų3079.9 Ų79.931%0.30941%0.408SS..THydrogen-bonded Turntrans94.8-4.1179.600000114.5K41G39-K41 PolarHBondContact O-N 2.98Å
40T96.5Very high95.5Very high31 Ų3176.5 Ų76.519%0.1939%0.394CS..  trans-47.7135.6168-54.50000110.4L4 I35 E37L4-T40 WeakPolarHBondContact CB-O 3.45Å; L4-T40 PolarHBondContact N-O 3.14Å; I35-T40 HydrophobicContact CG2-CG2 4.05Å; I35-T40 WeakPolarHBondContact CG2-OG1 3.33Å; E37-T40 PolarHBondContact O-OG1 3.38Å
41K96.8Very high95.5Very high126 Ų12680 Ų8055%0.54841%0.413SS..EExtended strand (participates in β ladder)trans-113.1139.5178.7-62.5-179.9-177.61710109.9M1 E2 R3 G39M1-K41 HydrophobicContact CB-CB 4.04Å; M1-K41 HydrophobicContact CB-CD 4.45Å; M1-K41 HydrophobicContact SD-CB 4.49Å; E2-K41 CarbonylContact O-C 3.49Å; E2-K41 WeakPolarHBondContact O-CA 3.06Å; R3-K41 HydrophobicContact CG-CG 4.49Å; G39-K41 PolarHBondContact O-N 2.98Å
42V94.6Very high95.3Very high5 Ų578 Ų783%0.0341%0.413CS..EExtended strand (participates in β ladder)trans-118.8148.3178-62.10000110.6M1 E2 L4 V7 V30 D46 V48M1-V42 CarbonylContact C-O 3.5Å; M1-V42 WeakPolarHBondContact CA-O 3.47Å; E2-V42 PolarHBondContact N-O 3.31Å; E2-V42 PolarHBondContact O-N 3.08Å; L4-V42 HydrophobicContact CD1-CG1 4.04Å; V7-V42 HydrophobicContact CB-CG2 4.27Å; V7-V42 HydrophobicContact CG2-CG2 3.61Å; V30-V42 HydrophobicContact CB-CG1 4.47Å; V30-V42 HydrophobicContact CG1-CG1 3.75Å; V30-V42 HydrophobicContact CG2-CG1 3.84Å; V42-D46 VanDerWaalsContact CA-OD2 3.28Å; V42-D46 WeakPolarHBondContact CA-OD2 3.41Å; V42-D46 HydrophobicContact CB-CB 4.06Å; V42-D46 WeakPolarHBondContact CB-OD2 3.41Å; V42-D46 HydrophobicContact CG1-CB 4.45Å; V42-V48 HydrophobicContact CG1-CG2 4.35Å; V42-V48 HydrophobicContact CG2-CG2 4.25Å
43G93.1Very high95.2Very high29 Ų2980.3 Ų80.330%0.29942%0.418SS..  trans-91.4175.2171.900000112.3K45 D46G43-K45 PolarHBondContact O-N 2.93Å; G43-D46 PolarHBondContact N-OD2 2.91Å; G43-D46 PolarHBondContact O-N 3.22Å
44K88.3Confident95.1Very high216 Ų21676 Ų7694%0.93940%0.402SS*.THydrogen-bonded Turntrans-67.1-19.5178.9-66.8-174.1174.7-172.40114.1
45K91.4Very high94.8Very high198 Ų19873.3 Ų73.386%0.86139%0.385SS*.THydrogen-bonded Turntrans-91.9-11.5-178.8-65-174.3177.6-175.70112.8G43G43-K45 PolarHBondContact O-N 2.93Å
46D94.1Very high94.3Very high56 Ų5680.7 Ų80.730%0.29941%0.412SS..  trans-76.3135.2-178.3-65.4-33.8000110V30 N31 V42 G43V30-D46 HydrophobicContact CG1-CB 3.96Å; N31-D46 PolarHBondContact ND2-OD1 3.47Å; N31-D46 WeakPolarHBondContact OD1-CA 3.43Å; V42-D46 VanDerWaalsContact CA-OD2 3.28Å; V42-D46 WeakPolarHBondContact CA-OD2 3.41Å; V42-D46 HydrophobicContact CB-CB 4.06Å; V42-D46 WeakPolarHBondContact CB-OD2 3.41Å; V42-D46 HydrophobicContact CG1-CB 4.45Å; G43-D46 PolarHBondContact N-OD2 2.91Å; G43-D46 PolarHBondContact O-N 3.22Å
47I93.9Very high93.6Very high97 Ų9780 Ų8050%0.49741%0.411SS..  trans-88.6115.8172.4-62168.6000107.1V30 N31 E49V30-I47 CarbonylContact C-O 3.56Å; V30-I47 WeakPolarHBondContact CA-O 3.46Å; N31-I47 PolarHBondContact N-O 3.26Å; N31-I47 PolarHBondContact OD1-N 3.07Å; I47-E49 HydrophobicContact CG2-CG 4.38Å
48V96.6Very high93Very high7 Ų775.5 Ų75.54%0.04239%0.39CS..EExtended strand (participates in β ladder)trans-100.5132174.9-175.20000108.7L4 V7 I8 V28 K29 V30 V42 P54 I55L4-V48 HydrophobicContact CD1-CG1 3.63Å; L4-V48 HydrophobicContact CD1-CG2 4.02Å; V7-V48 HydrophobicContact CG1-CG2 4.32Å; I8-V48 HydrophobicContact CG1-CG1 4.39Å; V28-V48 HydrophobicContact CG1-CG1 4.11Å; K29-V48 WeakPolarHBondContact O-CA 3.44Å; V30-V48 HydrophobicContact CG2-CG2 4.37Å; V42-V48 HydrophobicContact CG1-CG2 4.35Å; V42-V48 HydrophobicContact CG2-CG2 4.25Å; V48-P54 WeakPolarHBondContact O-CA 3.33Å; V48-I55 HydrophobicContact CB-CD1 4.05Å; V48-I55 HydrophobicContact CB-CG1 3.79Å; V48-I55 HydrophobicContact CG1-CD1 3.66Å; V48-I55 HydrophobicContact CG1-CG1 3.84Å; V48-I55 WeakPolarHBondContact O-CG1 3.3Å; V48-I55 PolarHBondContact O-N 3.26Å
49E96.8Very high92.7Very high37 Ų3778.5 Ų78.517%0.17340%0.402CS..EExtended strand (participates in β ladder)trans-121.5142.7174-60.5166.1-146.300110.1V28 K29 I47 V53 P54V28-E49 CarbonylContact C-O 3.48Å; V28-E49 VanDerWaalsContact CA-O 3.3Å; V28-E49 WeakPolarHBondContact CA-O 3.36Å; K29-E49 HydrophobicContact CB-CB 4.23Å; K29-E49 PolarHBondContact N-O 2.88Å; K29-E49 PolarHBondContact O-N 3.07Å; I47-E49 HydrophobicContact CG2-CG 4.38Å; E49-V53 CarbonylContact C-O 3.59Å; E49-V53 VanDerWaalsContact CA-O 3.23Å; E49-V53 WeakPolarHBondContact CA-O 3.18Å; E49-P54 HydrophobicContact CG-CB 4.5Å; E49-P54 HydrophobicContact CG-CG 4.18Å
50V96.5Very high92.6Very high8 Ų879.7 Ų79.75%0.04840%0.404CS..EExtended strand (participates in β ladder)trans-121124.7168.2-176.70000107.3I8 I13 Y22 R27 V28 G52 V53 I55I8-V50 HydrophobicContact CD1-CG2 4.34Å; I8-V50 HydrophobicContact CG1-CG2 4.11Å; I8-V50 HydrophobicContact CG2-CG2 4.17Å; I13-V50 HydrophobicContact CG2-CB 4.42Å; I13-V50 HydrophobicContact CG2-CG1 4.15Å; I13-V50 HydrophobicContact CG2-CG2 4.42Å; Y22-V50 HydrophobicContact CD2-CG1 3.96Å; Y22-V50 HydrophobicContact CE2-CG1 4.46Å; R27-V50 WeakPolarHBondContact O-CA 3.44Å; V28-V50 HydrophobicContact CG2-CG2 4.33Å; V50-G52 PolarHBondContact O-N 3.33Å; V50-V53 PolarHBondContact N-O 3.39Å; V50-V53 PolarHBondContact O-N 2.96Å; V50-I55 HydrophobicContact CB-CG2 4.23Å; V50-I55 HydrophobicContact CG2-CD1 4.23Å; V50-I55 HydrophobicContact CG2-CG2 3.98Å
51D96Very high92.7Very high89 Ų8978.3 Ų78.348%0.47640%0.395SS..THydrogen-bonded Turntrans53.333.6-174.6-59.1-60000113.8R27 V53R27-D51 IonicContact CZ-OD1 3.34Å; R27-D51 IonicContact CZ-OD2 3.23Å; R27-D51 VanDerWaalsContact CZ-OD2 3.23Å; R27-D51 IonicContact NE-OD1 2.71Å; R27-D51 PolarHBondContact NE-OD1 3.06Å; R27-D51 IonicContact NE-OD2 3.32Å; R27-D51 PolarHBondContact NE-OD2 2.9Å; R27-D51 IonicContact NH2-OD1 3.18Å; R27-D51 PolarHBondContact NH2-OD1 3.19Å; R27-D51 IonicContact NH2-OD2 2.6Å; R27-D51 PolarHBondContact NH2-OD2 2.84Å; R27-D51 PolarHBondContact O-N 3.25Å; D51-V53 VanDerWaalsContact C-N 3.31Å; D51-V53 PolarHBondContact O-N 2.83Å
52G92.8Very high92.7Very high46 Ų4673.8 Ų73.847%0.47438%0.375SS..THydrogen-bonded Turntrans80.25.2179.700000115.1V50V50-G52 PolarHBondContact O-N 3.33Å
53V94.1Very high92.9Very high94 Ų9474.8 Ų74.857%0.5738%0.378SS*.EExtended strand (participates in β ladder)trans-103.9122.4175.9-176.40000109.4E49 V50 D51 I55E49-V53 CarbonylContact C-O 3.59Å; E49-V53 VanDerWaalsContact CA-O 3.23Å; E49-V53 WeakPolarHBondContact CA-O 3.18Å; V50-V53 PolarHBondContact N-O 3.39Å; V50-V53 PolarHBondContact O-N 2.96Å; D51-V53 VanDerWaalsContact C-N 3.31Å; D51-V53 PolarHBondContact O-N 2.83Å; V53-I55 PolarHBondContact O-N 2.88Å
54P93.6Very high93.1Very high54 Ų5473.4 Ų73.435%0.35136%0.364SS..EExtended strand (participates in β ladder)trans-58.3135.9172.2-24.634.1000111.6V48 E49 Y56V48-P54 WeakPolarHBondContact O-CA 3.33Å; E49-P54 HydrophobicContact CG-CB 4.5Å; E49-P54 HydrophobicContact CG-CG 4.18Å; P54-Y56 HydrophobicContact CB-CE2 4.27Å
55I92.9Very high93.6Very high22 Ų2263.1 Ų63.111%0.11332%0.319CS..  trans-108.3141-178.663.6161000110.9V7 I8 A11 I13 V48 V50 V53V7-I55 HydrophobicContact CG1-CD1 4.46Å; I8-I55 HydrophobicContact CB-CD1 4.23Å; I8-I55 HydrophobicContact CG1-CD1 3.82Å; A11-I55 HydrophobicContact CB-CB 3.87Å; A11-I55 HydrophobicContact CB-CD1 3.82Å; A11-I55 HydrophobicContact CB-CG1 4.24Å; I13-I55 HydrophobicContact CD1-CG2 3.87Å; I13-I55 HydrophobicContact CG1-CB 4.35Å; I13-I55 HydrophobicContact CG1-CG2 3.78Å; V48-I55 HydrophobicContact CB-CD1 4.05Å; V48-I55 HydrophobicContact CB-CG1 3.79Å; V48-I55 HydrophobicContact CG1-CD1 3.66Å; V48-I55 HydrophobicContact CG1-CG1 3.84Å; V48-I55 WeakPolarHBondContact O-CG1 3.3Å; V48-I55 PolarHBondContact O-N 3.26Å; V50-I55 HydrophobicContact CB-CG2 4.23Å; V50-I55 HydrophobicContact CG2-CD1 4.23Å; V50-I55 HydrophobicContact CG2-CG2 3.98Å; V53-I55 PolarHBondContact O-N 2.88Å
56Y86.6Confident94Very high183 Ų18355 Ų5572%0.71828%0.284SS*.  trans-122.1150.1179.7-58.1-84.4000109.7A11 P54 E58A11-Y56 WeakPolarHBondContact CA-O 3.35Å; A11-Y56 WeakPolarHBondContact CB-O 3.34Å; P54-Y56 HydrophobicContact CB-CE2 4.27Å; Y56-E58 PolarHBondContact O-N 2.98Å
57Q82.2Confident94.2Very high121 Ų12152.4 Ų52.457%0.56527%0.27SS*.PPolyproline II helixtrans-66.1134.7177-65.9-173.9-15.700110
58E84.8Confident94.4Very high51 Ų5148.7 Ų48.724%0.23825%0.252CS..PPolyproline II helixtrans-71.4149.8169.3-67.7-177156.100110.4H10 G12 Y56 E93 R94 N113H10-E58 PolarHBondContact O-N 2.85Å; G12-E58 WeakPolarHBondContact CA-OE1 3.48Å; Y56-E58 PolarHBondContact O-N 2.98Å; E58-E93 WeakPolarHBondContact OE1-CA 3.29Å; E58-R94 PolarHBondContact OE1-N 2.82Å; E58-R94 VanDerWaalsContact OE1-N 3.14Å; E58-R94 PolarHBondContact OE2-N 2.81Å; E58-R94 VanDerWaalsContact OE2-N 3.09Å; E58-N113 WeakPolarHBondContact CB-ND2 3.49Å; E58-N113 PolarHBondContact OE2-ND2 2.91Å
59E89.9Confident94.5Very high149 Ų14954.1 Ų54.170%0.69627%0.272SS*.PPolyproline II helixtrans-65.7137.7170.6-75.2-62.6147.100110.7V61 N113E59-V61 PolarHBondContact O-N 3.21Å; E59-N113 PolarHBondContact O-ND2 3.36Å
60P94.1Very high94.5Very high54 Ų5453.6 Ų53.635%0.35128%0.276SS..PPolyproline II helixtrans-60.4124.1176.2-27.135.8000113.3Y62 N113 D114P60-Y62 HydrophobicContact CB-CE2 3.85Å; P60-Y62 WeakPolarHBondContact CB-OH 3.47Å; P60-N113 VanDerWaalsContact CA-OD1 3.29Å; P60-N113 WeakPolarHBondContact CA-OD1 3.23Å; P60-D114 HydrophobicContact CB-CB 4.36Å
61V96.8Very high94.6Very high2 Ų253.4 Ų53.41%0.01228%0.275CS..  trans-118.9147174-64.90000111.2E59 Y63 E93 I95 T112 N113E59-V61 PolarHBondContact O-N 3.21Å; V61-Y63 HydrophobicContact CB-CD2 4.48Å; V61-Y63 HydrophobicContact CB-CE2 3.73Å; V61-Y63 HydrophobicContact CG2-CD2 4.42Å; V61-Y63 HydrophobicContact CG2-CE2 3.76Å; V61-E93 HydrophobicContact CG1-CG 4.09Å; V61-E93 HydrophobicContact CG2-CB 3.96Å; V61-E93 HydrophobicContact CG2-CG 4.28Å; V61-I95 HydrophobicContact CG2-CG2 3.43Å; V61-I95 VanDerWaalsContact CG2-CG2 3.43Å; V61-T112 WeakPolarHBondContact O-CA 3.16Å; V61-T112 WeakPolarHBondContact O-CB 3.3Å; V61-T112 PolarHBondContact O-OG1 2.68Å; V61-N113 PolarHBondContact N-OD1 2.85Å
62Y97.9Very high94.7Very high31 Ų3150.4 Ų50.412%0.12226%0.259CS..EExtended strand (participates in β ladder)trans-139.9120-175.9-47.9-90.2000109.7P60 T112 D114 F117 R224 L225 I230P60-Y62 HydrophobicContact CB-CE2 3.85Å; P60-Y62 WeakPolarHBondContact CB-OH 3.47Å; Y62-T112 WeakPolarHBondContact CD1-OG1 3.39Å; Y62-D114 HydrophobicContact CE1-CB 3.89Å; Y62-D114 PolarHBondContact OH-OD2 2.77Å; Y62-F117 AromaticContact CD1-CD1 3.72Å; Y62-F117 HydrophobicContact CD1-CD1 3.72Å; Y62-F117 HydrophobicContact CD1-CD2 4.32Å; Y62-F117 AromaticContact CD1-CE1 3.7Å; Y62-F117 HydrophobicContact CD1-CE1 3.7Å; Y62-F117 HydrophobicContact CD1-CE2 4.34Å; Y62-F117 HydrophobicContact CD1-CG 4.02Å; Y62-F117 HydrophobicContact CD1-CZ 4.01Å; Y62-F117 HydrophobicContact CE1-CB 3.91Å; Y62-F117 AromaticContact CE1-CD1 3.74Å; Y62-F117 HydrophobicContact CE1-CD1 3.74Å; Y62-F117 AromaticContact CE1-CD2 3.86Å; Y62-F117 HydrophobicContact CE1-CD2 3.86Å; Y62-F117 HydrophobicContact CE1-CE1 4.13Å; Y62-F117 HydrophobicContact CE1-CE2 4.27Å; Y62-F117 AromaticContact CE1-CG 3.57Å; Y62-F117 HydrophobicContact CE1-CG 3.57Å; Y62-F117 HydrophobicContact CE1-CZ 4.37Å; Y62-R224 WeakPolarHBondContact O-CA 3.22Å; Y62-R224 WeakPolarHBondContact O-CG 3.39Å; Y62-L225 PolarHBondContact O-N 3.04Å; Y62-I230 HydrophobicContact CD2-CD1 3.43Å; Y62-I230 VanDerWaalsContact CD2-CD1 3.43Å; Y62-I230 HydrophobicContact CD2-CG1 4.23Å; Y62-I230 HydrophobicContact CE2-CD1 3.87Å; Y62-I230 HydrophobicContact CG-CD1 3.91Å; Y62-I230 HydrophobicContact CG-CG1 4.23Å
63Y98.3Very high94.9Very high26 Ų2648.7 Ų48.710%0.10224%0.239CC..EExtended strand (participates in β ladder)trans-123.1136.6-177.9-62.9-78.6000111.5V61 F88 V91 I95 I110 L111 Y222 R223 R224V61-Y63 HydrophobicContact CB-CD2 4.48Å; V61-Y63 HydrophobicContact CB-CE2 3.73Å; V61-Y63 HydrophobicContact CG2-CD2 4.42Å; V61-Y63 HydrophobicContact CG2-CE2 3.76Å; Y63-F88 HydrophobicContact CD1-CE1 4.31Å; Y63-F88 HydrophobicContact CD2-CD1 4.47Å; Y63-F88 HydrophobicContact CD2-CE1 4.24Å; Y63-F88 HydrophobicContact CG-CD1 4.4Å; Y63-F88 AromaticContact CG-CE1 3.83Å; Y63-F88 HydrophobicContact CG-CE1 3.83Å; Y63-V91 HydrophobicContact CE1-CG2 4.24Å; Y63-V91 HydrophobicContact CE2-CG1 3.74Å; Y63-V91 HydrophobicContact CE2-CG2 3.96Å; Y63-I95 HydrophobicContact CD2-CD1 4.15Å; Y63-I95 HydrophobicContact CD2-CG2 4.44Å; Y63-I95 HydrophobicContact CE2-CG2 4.35Å; Y63-I110 CarbonylContact O-C 3.56Å; Y63-I110 VanDerWaalsContact O-CA 3.26Å; Y63-I110 WeakPolarHBondContact O-CA 3.26Å; Y63-L111 PolarHBondContact N-O 2.81Å; Y63-L111 PolarHBondContact O-N 2.75Å; Y63-Y222 AromaticContact CD1-CD2 3.74Å; Y63-Y222 HydrophobicContact CD1-CD2 3.74Å; Y63-Y222 HydrophobicContact CD1-CE2 4.11Å; Y63-Y222 HydrophobicContact CE1-CD2 4.24Å; Y63-Y222 HydrophobicContact CE1-CE2 4.14Å; Y63-Y222 HydrophobicContact CG-CD2 4.41Å; Y63-R223 CarbonylContact C-O 3.58Å; Y63-R223 VanDerWaalsContact CA-O 3.32Å; Y63-R223 WeakPolarHBondContact CA-O 3.18Å; Y63-R224 HydrophobicContact CD1-CB 4.37Å; Y63-R224 HydrophobicContact CE1-CB 4.29Å; Y63-R224 HydrophobicContact CE1-CG 4.42Å
64L98.4Very high95Very high0 Ų045.5 Ų45.50%022%0.223CC..EExtended strand (participates in β ladder)trans-91.1121.6164.4-175.262.9000108.9I108 I110 L212 T213 L217 Y222 R223 L225L64-I108 HydrophobicContact CD1-CB 4.37Å; L64-I108 HydrophobicContact CD1-CD1 4.47Å; L64-I108 HydrophobicContact CD1-CG1 4.33Å; L64-I108 HydrophobicContact CD1-CG2 3.49Å; L64-I108 VanDerWaalsContact CD1-CG2 3.49Å; L64-I110 HydrophobicContact CD1-CG1 4.48Å; L64-L212 HydrophobicContact CD1-CB 4.44Å; L64-L212 HydrophobicContact CD1-CD1 4.03Å; L64-T213 WeakPolarHBondContact CD2-O 3.33Å; L64-L217 HydrophobicContact CD2-CD1 4.01Å; L64-L217 HydrophobicContact CG-CD1 4.13Å; L64-Y222 CarbonylContact O-C 3.58Å; L64-Y222 WeakPolarHBondContact O-CA 3.42Å; L64-Y222 WeakPolarHBondContact O-CB 3.19Å; L64-R223 HydrophobicContact CB-CG 4.22Å; L64-R223 PolarHBondContact N-O 2.97Å; L64-R223 PolarHBondContact O-N 3.15Å; L64-L225 HydrophobicContact CB-CD2 3.79Å
65F98.7Very high95Very high0 Ų045.7 Ų45.70%022%0.223CC..EExtended strand (participates in β ladder)trans-112.9131.9178.6-175.8-138.3000111.2K67 V84 Y87 F88 L109 L111 E221F65-K67 HydrophobicContact CD1-CB 3.76Å; F65-K67 HydrophobicContact CD1-CG 4.46Å; F65-K67 VanDerWaalsContact CE1-CA 3.41Å; F65-K67 HydrophobicContact CE1-CB 3.7Å; F65-K67 HydrophobicContact CE1-CG 4.02Å; F65-K67 PolarHBondContact O-N 3.32Å; F65-V84 HydrophobicContact CD1-CB 4.36Å; F65-V84 HydrophobicContact CD1-CG1 4.27Å; F65-V84 HydrophobicContact CE1-CB 4.06Å; F65-V84 HydrophobicContact CE1-CG1 3.9Å; F65-Y87 HydrophobicContact CE1-CD2 4.43Å; F65-Y87 HydrophobicContact CE2-CD1 4.01Å; F65-Y87 HydrophobicContact CE2-CD2 4.32Å; F65-Y87 AromaticContact CE2-CG 3.78Å; F65-Y87 HydrophobicContact CE2-CG 3.78Å; F65-Y87 HydrophobicContact CZ-CD1 4.01Å; F65-Y87 AromaticContact CZ-CD2 3.61Å; F65-Y87 HydrophobicContact CZ-CD2 3.61Å; F65-Y87 HydrophobicContact CZ-CE1 4.47Å; F65-Y87 HydrophobicContact CZ-CE2 4.12Å; F65-Y87 AromaticContact CZ-CG 3.54Å; F65-Y87 HydrophobicContact CZ-CG 3.54Å; F65-F88 HydrophobicContact CB-CE2 4.31Å; F65-F88 HydrophobicContact CB-CZ 3.9Å; F65-F88 HydrophobicContact CD1-CE2 4.28Å; F65-F88 AromaticContact CD2-CE2 3.91Å; F65-F88 HydrophobicContact CD2-CE2 3.91Å; F65-F88 AromaticContact CD2-CZ 3.95Å; F65-F88 HydrophobicContact CD2-CZ 3.95Å; F65-F88 HydrophobicContact CE2-CE2 4.28Å; F65-F88 AromaticContact CG-CE2 3.92Å; F65-F88 HydrophobicContact CG-CE2 3.92Å; F65-F88 AromaticContact CG-CZ 3.95Å; F65-F88 HydrophobicContact CG-CZ 3.95Å; F65-L109 WeakPolarHBondContact CA-O 3.22Å; F65-L109 VanDerWaalsContact CB-O 3.31Å; F65-L109 WeakPolarHBondContact CB-O 3.37Å; F65-L109 PolarHBondContact N-O 3.39Å; F65-L109 PolarHBondContact O-N 2.78Å; F65-L111 HydrophobicContact CB-CD1 3.5Å; F65-L111 HydrophobicContact CD1-CD1 4.03Å; F65-L111 HydrophobicContact CG-CD1 4.06Å; F65-E221 WeakPolarHBondContact CD2-O 3.32Å
66Y98.6Very high95Very high29 Ų2948.9 Ų48.911%0.11425%0.247CC..EExtended strand (participates in β ladder)trans-86.187.5162.6-168.5168.3000109.2P68 K205 L214 L217 R218 P219 G220 E221Y66-P68 WeakPolarHBondContact O-CD 3.4Å; Y66-K205 WeakPolarHBondContact OH-CE 3.39Å; Y66-K205 PolarHBondContact OH-NZ 3.33Å; Y66-L214 HydrophobicContact CD1-CB 4.47Å; Y66-L214 HydrophobicContact CD1-CD1 4.25Å; Y66-L214 HydrophobicContact CD1-CD2 3.94Å; Y66-L214 HydrophobicContact CD1-CG 4.45Å; Y66-L214 HydrophobicContact CD2-CD1 4.1Å; Y66-L214 HydrophobicContact CD2-CD2 4.03Å; Y66-L214 HydrophobicContact CE1-CD1 4.14Å; Y66-L214 HydrophobicContact CE2-CD1 3.98Å; Y66-L214 HydrophobicContact CG-CD1 4.26Å; Y66-L214 HydrophobicContact CG-CD2 3.62Å; Y66-L214 HydrophobicContact CG-CG 4.47Å; Y66-L217 HydrophobicContact CD1-CB 4.37Å; Y66-L217 WeakPolarHBondContact CD1-O 3.47Å; Y66-R218 WeakPolarHBondContact CB-O 3.33Å; Y66-P219 HydrophobicContact CD1-CG 4.21Å; Y66-P219 VanDerWaalsContact CD1-N 3.35Å; Y66-P219 HydrophobicContact CD2-CB 4.45Å; Y66-P219 HydrophobicContact CE1-CB 4.45Å; Y66-P219 HydrophobicContact CE1-CG 3.72Å; Y66-P219 HydrophobicContact CE2-CB 4.37Å; Y66-P219 HydrophobicContact CE2-CG 4.14Å; Y66-G220 PolarHBondContact O-N 3.39Å; Y66-E221 PolarHBondContact N-O 3.15Å
67K98.6Very high95.3Very high0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-60.9123.1177-177.6-167.5169.5-65.10110.9F65 V71 S73 V84 L101 D102 Y103 T105 S106 G107 L109F65-K67 HydrophobicContact CD1-CB 3.76Å; F65-K67 HydrophobicContact CD1-CG 4.46Å; F65-K67 VanDerWaalsContact CE1-CA 3.41Å; F65-K67 HydrophobicContact CE1-CB 3.7Å; F65-K67 HydrophobicContact CE1-CG 4.02Å; F65-K67 PolarHBondContact O-N 3.32Å; K67-V71 WeakPolarHBondContact CE-O 3.41Å; K67-V71 PolarHBondContact NZ-O 2.89Å; K67-S73 WeakPolarHBondContact CE-OG 3.08Å; K67-V84 HydrophobicContact CD-CG1 4.3Å; K67-V84 HydrophobicContact CG-CG1 4.27Å; K67-L101 HydrophobicContact CB-CD1 4.38Å; K67-L101 HydrophobicContact CD-CB 3.74Å; K67-L101 HydrophobicContact CD-CD1 4.05Å; K67-L101 HydrophobicContact CD-CG 4.47Å; K67-D102 PolarHBondContact NZ-O 2.85Å; K67-Y103 PolarHBondContact NZ-O 3.45Å; K67-T105 PolarHBondContact NZ-O 3.06Å; K67-S106 CarbonylContact O-C 3.54Å; K67-S106 WeakPolarHBondContact O-CA 3.26Å; K67-S106 VanDerWaalsContact O-CB 3.31Å; K67-S106 WeakPolarHBondContact O-CB 3.47Å; K67-G107 PolarHBondContact N-O 2.77Å; K67-G107 PolarHBondContact O-N 2.69Å; K67-L109 HydrophobicContact CB-CB 4.34Å; K67-L109 HydrophobicContact CD-CD2 4.25Å
68P98.3Very high95.8Very high20 Ų2042.3 Ų42.313%0.1323%0.228CC..PPolyproline II helixtrans-77.3165.1170.327.9-25.8000111.7Y66 V71 Y87 P219Y66-P68 WeakPolarHBondContact O-CD 3.4Å; P68-V71 HydrophobicContact CG-CG2 3.76Å; P68-Y87 HydrophobicContact CG-CE1 4.27Å; P68-Y87 HydrophobicContact CG-CE2 4.33Å; P68-Y87 VanDerWaalsContact CG-OH 3.31Å; P68-Y87 WeakPolarHBondContact CG-OH 3.41Å; P68-P219 HydrophobicContact CB-CB 4.02Å
69R98Very high96.2Very high121 Ų12146.6 Ų46.646%0.45725%0.246SC..THydrogen-bonded Turntrans-67.1154.4167.3-56.8178.973.8-159.63.8108.9D104R69-D104 WeakPolarHBondContact CG-O 3.42Å; R69-D104 PolarHBondContact NE-O 3.21Å
70G97.6Very high96.3Very high26 Ų2647 Ų4727%0.26825%0.253SS..THydrogen-bonded Turntrans8314179.400000114.5Y103G70-Y103 PolarHBondContact N-O 3.33Å; G70-Y103 WeakPolarHBondContact O-CE2 3.47Å; G70-Y103 PolarHBondContact O-OH 2.81Å
71V98.1Very high96.4Very high3 Ų349.1 Ų49.12%0.01825%0.254CS..  trans-125.5140.5-179.4-179.50000109.8K67 P68 K82 V83 V84 Y87K67-V71 WeakPolarHBondContact CE-O 3.41Å; K67-V71 PolarHBondContact NZ-O 2.89Å; P68-V71 HydrophobicContact CG-CG2 3.76Å; V71-K82 WeakPolarHBondContact CA-O 3.26Å; V71-K82 HydrophobicContact CG2-CB 4.49Å; V71-K82 HydrophobicContact CG2-CD 4.3Å; V71-K82 HydrophobicContact CG2-CG 4.43Å; V71-V83 VanDerWaalsContact CG1-C 3.41Å; V71-V83 WeakPolarHBondContact CG1-O 3.42Å; V71-V84 HydrophobicContact CG1-CG1 3.96Å; V71-Y87 HydrophobicContact CG1-CE2 4.09Å; V71-Y87 HydrophobicContact CG2-CE2 3.79Å
72I97.8Very high96.5Very high27 Ų2753.5 Ų53.514%0.13827%0.273CS..BIsolated β-bridgetrans-91.8129.5-179.5-61178.1000110.7A74 D77 R81 K82 V83 V84 Y103I72-A74 HydrophobicContact CG2-CB 3.69Å; I72-A74 PolarHBondContact O-N 2.67Å; I72-D77 HydrophobicContact CD1-CB 4.03Å; I72-D77 VanDerWaalsContact CD1-CG 3.4Å; I72-D77 WeakPolarHBondContact CD1-OD1 3.4Å; I72-R81 HydrophobicContact CD1-CB 3.63Å; I72-R81 HydrophobicContact CD1-CG 4.37Å; I72-R81 VanDerWaalsContact CD1-CZ 3.46Å; I72-R81 VanDerWaalsContact CD1-NE 3.32Å; I72-R81 HydrophobicContact CG1-CB 4.35Å; I72-K82 PolarHBondContact N-O 3.09Å; I72-V83 HydrophobicContact CB-CG1 4.26Å; I72-V83 WeakPolarHBondContact O-CA 3.21Å; I72-V84 WeakPolarHBondContact O-CG1 3.15Å; I72-V84 PolarHBondContact O-N 2.82Å; I72-Y103 HydrophobicContact CG1-CD2 3.68Å; I72-Y103 HydrophobicContact CG1-CE2 4.12Å
73S97.3Very high96.5Very high9 Ų952.3 Ų52.36%0.06327%0.269CS..SBendtrans-73.466.7169.9-65.80000112.2K67 L101 L109K67-S73 WeakPolarHBondContact CE-OG 3.08Å; S73-L101 PolarHBondContact OG-N 2.88Å; S73-L101 VanDerWaalsContact OG-N 3.09Å; S73-L101 PolarHBondContact OG-O 3.02Å; S73-L109 WeakPolarHBondContact OG-CD2 3.37Å
74A95.8Very high96.5Very high28 Ų2851.1 Ų51.123%0.23126%0.264CS..SBendtrans-144.2173175.400000110.2I72 S76 V83 V84I72-A74 HydrophobicContact CG2-CB 3.69Å; I72-A74 PolarHBondContact O-N 2.67Å; A74-S76 WeakPolarHBondContact CB-O 3.38Å; A74-V83 WeakPolarHBondContact O-CB 3.37Å; A74-V84 VanDerWaalsContact O-CG2 3.31Å; A74-V84 WeakPolarHBondContact O-CG2 3.49Å
75V93.7Very high96.4Very high58 Ų5852.7 Ų52.735%0.35227%0.274SS..SBendtrans-93.4-16.4173.2-63.10000112.6T85V75-T85 HydrophobicContact CB-CG2 4.47Å; V75-T85 HydrophobicContact CG1-CG2 4.13Å
76S92.8Very high96.3Very high89 Ų8956.8 Ų56.862%0.62230%0.296SS*.  trans-153.3158177.358.90000109.6A74A74-S76 WeakPolarHBondContact CB-O 3.38Å
77D94Very high96.3Very high27 Ų2758.1 Ų58.114%0.14430%0.301CS..  trans-137.4133.3175.6-174.960.8000109.7I72 K79 N80 R81 V83I72-D77 HydrophobicContact CD1-CB 4.03Å; I72-D77 VanDerWaalsContact CD1-CG 3.4Å; I72-D77 WeakPolarHBondContact CD1-OD1 3.4Å; D77-K79 PolarHBondContact O-N 3.28Å; D77-K79 VanDerWaalsContact OD2-C 3.29Å; D77-K79 WeakPolarHBondContact OD2-CA 3.39Å; D77-K79 WeakPolarHBondContact OD2-CB 3.29Å; D77-K79 PolarHBondContact OD2-N 3.33Å; D77-K79 VanDerWaalsContact OD2-N 3.15Å; D77-N80 PolarHBondContact O-N 3.37Å; D77-N80 PolarHBondContact OD2-N 2.8Å; D77-R81 IonicContact OD1-CZ 3.87Å; D77-R81 IonicContact OD1-NE 3.53Å; D77-R81 PolarHBondContact OD1-NE 2.84Å; D77-R81 IonicContact OD1-NH2 3.6Å; D77-R81 PolarHBondContact OD1-NH2 2.8Å; D77-R81 WeakPolarHBondContact OD2-CB 3.45Å; D77-R81 WeakPolarHBondContact OD2-CG 3.38Å; D77-R81 IonicContact OD2-CZ 3.58Å; D77-R81 PolarHBondContact OD2-N 3.47Å; D77-R81 IonicContact OD2-NE 3.16Å; D77-R81 PolarHBondContact OD2-NE 3.07Å; D77-R81 IonicContact OD2-NH2 3.33Å; D77-V83 HydrophobicContact CB-CG1 3.83Å
78D92.7Very high96.3Very high138 Ų13858.5 Ų58.574%0.73830%0.303SS*.THydrogen-bonded Turntrans-70.4-20.1179.261-33.8000113.1R81D78-R81 IonicContact OD1-NH2 3.37Å
79K93.7Very high96Very high142 Ų14262.5 Ų62.562%0.61734%0.338SS*.THydrogen-bonded Turntrans-103.416.2-179.6-57.1-178.8-176.1-174.90112.9D77 R81D77-K79 PolarHBondContact O-N 3.28Å; D77-K79 VanDerWaalsContact OD2-C 3.29Å; D77-K79 WeakPolarHBondContact OD2-CA 3.39Å; D77-K79 WeakPolarHBondContact OD2-CB 3.29Å; D77-K79 PolarHBondContact OD2-N 3.33Å; D77-K79 VanDerWaalsContact OD2-N 3.15Å; K79-R81 HydrophobicContact CB-CG 4.33Å; K79-R81 PolarHBondContact O-N 3.45Å
80N92.2Very high95.8Very high157 Ų15760.8 Ų60.884%0.8435%0.349SS*.  trans52.828.2-179.8-65.6-32.8000114.1D77D77-N80 PolarHBondContact O-N 3.37Å; D77-N80 PolarHBondContact OD2-N 2.8Å
81R95.8Very high95.7Very high99 Ų9960.5 Ų60.537%0.37434%0.342SS..  trans-76.9148.7171.6-62.5166.7-71.71781.6108.7I72 D77 D78 K79 V83I72-R81 HydrophobicContact CD1-CB 3.63Å; I72-R81 HydrophobicContact CD1-CG 4.37Å; I72-R81 VanDerWaalsContact CD1-CZ 3.46Å; I72-R81 VanDerWaalsContact CD1-NE 3.32Å; I72-R81 HydrophobicContact CG1-CB 4.35Å; D77-R81 IonicContact OD1-CZ 3.87Å; D77-R81 IonicContact OD1-NE 3.53Å; D77-R81 PolarHBondContact OD1-NE 2.84Å; D77-R81 IonicContact OD1-NH2 3.6Å; D77-R81 PolarHBondContact OD1-NH2 2.8Å; D77-R81 WeakPolarHBondContact OD2-CB 3.45Å; D77-R81 WeakPolarHBondContact OD2-CG 3.38Å; D77-R81 IonicContact OD2-CZ 3.58Å; D77-R81 PolarHBondContact OD2-N 3.47Å; D77-R81 IonicContact OD2-NE 3.16Å; D77-R81 PolarHBondContact OD2-NE 3.07Å; D77-R81 IonicContact OD2-NH2 3.33Å; D78-R81 IonicContact OD1-NH2 3.37Å; K79-R81 HydrophobicContact CB-CG 4.33Å; K79-R81 PolarHBondContact O-N 3.45Å; R81-V83 PolarHBondContact O-N 2.81Å
82K97.3Very high95.4Very high94 Ų9465.8 Ų65.841%0.40938%0.377SS..  trans-55.8129.9178.5-161173.1-169179.40111.4V71 I72 D86 Y87V71-K82 WeakPolarHBondContact CA-O 3.26Å; V71-K82 HydrophobicContact CG2-CB 4.49Å; V71-K82 HydrophobicContact CG2-CD 4.3Å; V71-K82 HydrophobicContact CG2-CG 4.43Å; I72-K82 PolarHBondContact N-O 3.09Å; K82-D86 WeakPolarHBondContact CA-OD2 3.46Å; K82-D86 HydrophobicContact CG-CB 4.11Å; K82-D86 VanDerWaalsContact CG-OD2 3.24Å; K82-D86 WeakPolarHBondContact CG-OD2 3.26Å; K82-Y87 HydrophobicContact CD-CE2 3.78Å; K82-Y87 HydrophobicContact CG-CE2 4.25Å; K82-Y87 VanDerWaalsContact NZ-CZ 3.26Å; K82-Y87 PolarHBondContact NZ-OH 3.3Å; K82-Y87 VanDerWaalsContact NZ-OH 3.14Å
83V98.2Very high95.2Very high6 Ų666.9 Ų66.94%0.03638%0.381CS..BIsolated β-bridgetrans-107.7167177.8-65.40000111.2V71 I72 A74 D77 R81 T85 D86V71-V83 VanDerWaalsContact CG1-C 3.41Å; V71-V83 WeakPolarHBondContact CG1-O 3.42Å; I72-V83 HydrophobicContact CB-CG1 4.26Å; I72-V83 WeakPolarHBondContact O-CA 3.21Å; A74-V83 WeakPolarHBondContact O-CB 3.37Å; D77-V83 HydrophobicContact CB-CG1 3.83Å; R81-V83 PolarHBondContact O-N 2.81Å; V83-T85 VanDerWaalsContact C-N 3.29Å; V83-T85 VanDerWaalsContact CG2-OG1 3.3Å; V83-T85 WeakPolarHBondContact CG2-OG1 2.89Å; V83-T85 PolarHBondContact O-N 3.16Å; V83-D86 VanDerWaalsContact CG2-OD1 3.23Å; V83-D86 WeakPolarHBondContact CG2-OD1 3.49Å; V83-D86 WeakPolarHBondContact CG2-OD2 3.48Å; V83-D86 PolarHBondContact N-OD2 3Å; V83-D86 WeakPolarHBondContact O-CB 3.27Å; V83-D86 PolarHBondContact O-N 3.16Å
84V98.2Very high95Very high0 Ų069.2 Ų69.20%039%0.389CS..G310 helixtrans-64.8-34.3-177.4-67.80000112.4F65 K67 V71 I72 A74 D86 Y87 F88 P97 L109 L111F65-V84 HydrophobicContact CD1-CB 4.36Å; F65-V84 HydrophobicContact CD1-CG1 4.27Å; F65-V84 HydrophobicContact CE1-CB 4.06Å; F65-V84 HydrophobicContact CE1-CG1 3.9Å; K67-V84 HydrophobicContact CD-CG1 4.3Å; K67-V84 HydrophobicContact CG-CG1 4.27Å; V71-V84 HydrophobicContact CG1-CG1 3.96Å; I72-V84 WeakPolarHBondContact O-CG1 3.15Å; I72-V84 PolarHBondContact O-N 2.82Å; A74-V84 VanDerWaalsContact O-CG2 3.31Å; A74-V84 WeakPolarHBondContact O-CG2 3.49Å; V84-D86 PolarHBondContact O-N 2.87Å; V84-Y87 PolarHBondContact O-N 2.78Å; V84-F88 VanDerWaalsContact O-CD2 3.28Å; V84-F88 WeakPolarHBondContact O-CD2 3.48Å; V84-P97 HydrophobicContact CG2-CB 4.32Å; V84-P97 HydrophobicContact CG2-CG 4.23Å; V84-L109 HydrophobicContact CB-CD2 4.45Å; V84-L109 HydrophobicContact CG1-CD2 3.71Å; V84-L111 HydrophobicContact CB-CD2 4.3Å; V84-L111 HydrophobicContact CG2-CD2 3.93Å
85T97.2Very high95Very high34 Ų3468.3 Ų68.321%0.20938%0.38CS..G310 helixtrans-68.2-20.2-179.245.10000113.2V75 V83 Y87 F88 L111V75-T85 HydrophobicContact CB-CG2 4.47Å; V75-T85 HydrophobicContact CG1-CG2 4.13Å; V83-T85 VanDerWaalsContact C-N 3.29Å; V83-T85 VanDerWaalsContact CG2-OG1 3.3Å; V83-T85 WeakPolarHBondContact CG2-OG1 2.89Å; V83-T85 PolarHBondContact O-N 3.16Å; T85-Y87 PolarHBondContact O-N 2.81Å; T85-Y87 VanDerWaalsContact O-N 3.1Å; T85-F88 PolarHBondContact O-N 3.09Å; T85-L111 HydrophobicContact CG2-CD2 4.46Å
86D97.1Very high95.2Very high85 Ų8567.7 Ų67.746%0.45537%0.372SS..G310 helixtrans-62.8-18.6175.6-60-20.6000112.9K82 V83 V84 F88K82-D86 WeakPolarHBondContact CA-OD2 3.46Å; K82-D86 HydrophobicContact CG-CB 4.11Å; K82-D86 VanDerWaalsContact CG-OD2 3.24Å; K82-D86 WeakPolarHBondContact CG-OD2 3.26Å; V83-D86 VanDerWaalsContact CG2-OD1 3.23Å; V83-D86 WeakPolarHBondContact CG2-OD1 3.49Å; V83-D86 WeakPolarHBondContact CG2-OD2 3.48Å; V83-D86 PolarHBondContact N-OD2 3Å; V83-D86 WeakPolarHBondContact O-CB 3.27Å; V83-D86 PolarHBondContact O-N 3.16Å; V84-D86 PolarHBondContact O-N 2.87Å; D86-F88 VanDerWaalsContact C-N 3.35Å
87Y98.1Very high95.4Very high58 Ų5864.4 Ų64.423%0.22735%0.348CS..G310 helixtrans-84.8-9.2175.9-71.6-96.5000113.2F65 P68 V71 K82 V84 T85 G220 Y222F65-Y87 HydrophobicContact CE1-CD2 4.43Å; F65-Y87 HydrophobicContact CE2-CD1 4.01Å; F65-Y87 HydrophobicContact CE2-CD2 4.32Å; F65-Y87 AromaticContact CE2-CG 3.78Å; F65-Y87 HydrophobicContact CE2-CG 3.78Å; F65-Y87 HydrophobicContact CZ-CD1 4.01Å; F65-Y87 AromaticContact CZ-CD2 3.61Å; F65-Y87 HydrophobicContact CZ-CD2 3.61Å; F65-Y87 HydrophobicContact CZ-CE1 4.47Å; F65-Y87 HydrophobicContact CZ-CE2 4.12Å; F65-Y87 AromaticContact CZ-CG 3.54Å; F65-Y87 HydrophobicContact CZ-CG 3.54Å; P68-Y87 HydrophobicContact CG-CE1 4.27Å; P68-Y87 HydrophobicContact CG-CE2 4.33Å; P68-Y87 VanDerWaalsContact CG-OH 3.31Å; P68-Y87 WeakPolarHBondContact CG-OH 3.41Å; V71-Y87 HydrophobicContact CG1-CE2 4.09Å; V71-Y87 HydrophobicContact CG2-CE2 3.79Å; K82-Y87 HydrophobicContact CD-CE2 3.78Å; K82-Y87 HydrophobicContact CG-CE2 4.25Å; K82-Y87 VanDerWaalsContact NZ-CZ 3.26Å; K82-Y87 PolarHBondContact NZ-OH 3.3Å; K82-Y87 VanDerWaalsContact NZ-OH 3.14Å; V84-Y87 PolarHBondContact O-N 2.78Å; T85-Y87 PolarHBondContact O-N 2.81Å; T85-Y87 VanDerWaalsContact O-N 3.1Å; Y87-G220 VanDerWaalsContact CD1-O 3.29Å; Y87-G220 WeakPolarHBondContact CD1-O 3.05Å; Y87-Y222 WeakPolarHBondContact O-CE1 3.1Å
88F97.5Very high95.5Very high8 Ų863.1 Ų63.14%0.03534%0.341CS..  trans-112.532.3-170.9-68.6-95.6000112.4Y63 F65 V84 T85 D86 A90 V91 I95 L111 Y222Y63-F88 HydrophobicContact CD1-CE1 4.31Å; Y63-F88 HydrophobicContact CD2-CD1 4.47Å; Y63-F88 HydrophobicContact CD2-CE1 4.24Å; Y63-F88 HydrophobicContact CG-CD1 4.4Å; Y63-F88 AromaticContact CG-CE1 3.83Å; Y63-F88 HydrophobicContact CG-CE1 3.83Å; F65-F88 HydrophobicContact CB-CE2 4.31Å; F65-F88 HydrophobicContact CB-CZ 3.9Å; F65-F88 HydrophobicContact CD1-CE2 4.28Å; F65-F88 AromaticContact CD2-CE2 3.91Å; F65-F88 HydrophobicContact CD2-CE2 3.91Å; F65-F88 AromaticContact CD2-CZ 3.95Å; F65-F88 HydrophobicContact CD2-CZ 3.95Å; F65-F88 HydrophobicContact CE2-CE2 4.28Å; F65-F88 AromaticContact CG-CE2 3.92Å; F65-F88 HydrophobicContact CG-CE2 3.92Å; F65-F88 AromaticContact CG-CZ 3.95Å; F65-F88 HydrophobicContact CG-CZ 3.95Å; V84-F88 VanDerWaalsContact O-CD2 3.28Å; V84-F88 WeakPolarHBondContact O-CD2 3.48Å; T85-F88 PolarHBondContact O-N 3.09Å; D86-F88 VanDerWaalsContact C-N 3.35Å; F88-A90 PolarHBondContact O-N 2.86Å; F88-V91 HydrophobicContact CB-CB 4.23Å; F88-V91 HydrophobicContact CB-CG2 4.13Å; F88-V91 HydrophobicContact CD1-CG2 3.84Å; F88-V91 WeakPolarHBondContact O-CB 3.42Å; F88-V91 PolarHBondContact O-N 3.14Å; F88-I95 HydrophobicContact CB-CD1 3.83Å; F88-I95 HydrophobicContact CD1-CD1 3.51Å; F88-I95 HydrophobicContact CD2-CD1 4.18Å; F88-I95 HydrophobicContact CE1-CD1 4.08Å; F88-I95 HydrophobicContact CG-CD1 3.57Å; F88-L111 HydrophobicContact CD2-CD2 4Å; F88-L111 HydrophobicContact CE2-CD1 3.83Å; F88-L111 HydrophobicContact CE2-CD2 3.72Å; F88-L111 HydrophobicContact CE2-CG 4.36Å; F88-L111 HydrophobicContact CZ-CD1 3.76Å; F88-L111 HydrophobicContact CZ-CD2 4.17Å; F88-L111 HydrophobicContact CZ-CG 4.41Å; F88-Y222 HydrophobicContact CD1-CD1 4.03Å; F88-Y222 AromaticContact CD1-CD2 3.86Å; F88-Y222 HydrophobicContact CD1-CD2 3.86Å; F88-Y222 HydrophobicContact CD1-CE1 4.07Å; F88-Y222 AromaticContact CD1-CE2 3.88Å; F88-Y222 HydrophobicContact CD1-CE2 3.88Å; F88-Y222 AromaticContact CD1-CG 3.93Å; F88-Y222 HydrophobicContact CD1-CG 3.93Å; F88-Y222 AromaticContact CD1-CZ 3.98Å; F88-Y222 AromaticContact CE1-CD1 3.74Å; F88-Y222 HydrophobicContact CE1-CD1 3.74Å; F88-Y222 AromaticContact CE1-CD2 3.4Å; F88-Y222 HydrophobicContact CE1-CD2 3.4Å; F88-Y222 HydrophobicContact CE1-CE1 4.24Å; F88-Y222 AromaticContact CE1-CE2 3.91Å; F88-Y222 HydrophobicContact CE1-CE2 3.91Å; F88-Y222 AromaticContact CE1-CG 3.29Å; F88-Y222 HydrophobicContact CE1-CG 3.29Å; F88-Y222 HydrophobicContact CG-CE1 4.48Å; F88-Y222 AromaticContact CZ-CD1 3.98Å; F88-Y222 HydrophobicContact CZ-CD1 3.98Å; F88-Y222 HydrophobicContact CZ-CD2 4.23Å; F88-Y222 AromaticContact CZ-CG 3.67Å; F88-Y222 HydrophobicContact CZ-CG 3.67Å
89A92.8Very high95.5Very high104 Ų10458.1 Ų58.186%0.8632%0.322SS*.THydrogen-bonded Turntrans-58.4-22.6-177.800000114.3
90A94Very high95.6Very high85 Ų8560 Ų6070%0.70233%0.325SS*.THydrogen-bonded Turntrans-89.4-0.7176.800000113.9F88F88-A90 PolarHBondContact O-N 2.86Å
91V94.5Very high95.8Very high19 Ų1952.9 Ų52.912%0.11529%0.287CS..  trans-96.6114.4177.2178.40000108.5Y63 F88 E93 I95 Y222Y63-V91 HydrophobicContact CE1-CG2 4.24Å; Y63-V91 HydrophobicContact CE2-CG1 3.74Å; Y63-V91 HydrophobicContact CE2-CG2 3.96Å; F88-V91 HydrophobicContact CB-CB 4.23Å; F88-V91 HydrophobicContact CB-CG2 4.13Å; F88-V91 HydrophobicContact CD1-CG2 3.84Å; F88-V91 WeakPolarHBondContact O-CB 3.42Å; F88-V91 PolarHBondContact O-N 3.14Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 HydrophobicContact CG1-CB 4.38Å; V91-E93 VanDerWaalsContact CG1-OE2 3.25Å; V91-E93 WeakPolarHBondContact CG1-OE2 3.4Å; V91-I95 HydrophobicContact CG1-CD1 4.33Å; V91-I95 HydrophobicContact CG1-CG2 4.27Å; V91-Y222 HydrophobicContact CG2-CE2 4.22Å
92P91.8Very high95.9Very high114 Ų11449.7 Ų49.774%0.7428%0.278SS*.  trans-72.5-27.7-178.728-33.8000112.9
93E94Very high95.9Very high50 Ų5050.7 Ų50.723%0.23428%0.28CS..SBendtrans-74.7146.9-177-58.487.116800113E58 V61 V91 I95E58-E93 WeakPolarHBondContact OE1-CA 3.29Å; V61-E93 HydrophobicContact CG1-CG 4.09Å; V61-E93 HydrophobicContact CG2-CB 3.96Å; V61-E93 HydrophobicContact CG2-CG 4.28Å; V91-E93 VanDerWaalsContact C-N 3.34Å; V91-E93 HydrophobicContact CG1-CB 4.38Å; V91-E93 VanDerWaalsContact CG1-OE2 3.25Å; V91-E93 WeakPolarHBondContact CG1-OE2 3.4Å; E93-I95 PolarHBondContact O-N 2.87Å
94R93Very high95.9Very high59 Ų5953.4 Ų53.422%0.22329%0.294CS..  trans-77.190.8177.1-169.7-170.3162.2-72.2-9.9111.9G12 E58 N113G12-R94 WeakPolarHBondContact O-CD 3.31Å; E58-R94 PolarHBondContact OE1-N 2.82Å; E58-R94 VanDerWaalsContact OE1-N 3.14Å; E58-R94 PolarHBondContact OE2-N 2.81Å; E58-R94 VanDerWaalsContact OE2-N 3.09Å; R94-N113 WeakPolarHBondContact O-CB 3.46Å
95I96.6Very high95.9Very high9 Ų953.4 Ų53.45%0.04629%0.294CS..  trans-91.6159.6177.864177.2000114.3V61 Y63 F88 V91 E93 L111 T112V61-I95 HydrophobicContact CG2-CG2 3.43Å; V61-I95 VanDerWaalsContact CG2-CG2 3.43Å; Y63-I95 HydrophobicContact CD2-CD1 4.15Å; Y63-I95 HydrophobicContact CD2-CG2 4.44Å; Y63-I95 HydrophobicContact CE2-CG2 4.35Å; F88-I95 HydrophobicContact CB-CD1 3.83Å; F88-I95 HydrophobicContact CD1-CD1 3.51Å; F88-I95 HydrophobicContact CD2-CD1 4.18Å; F88-I95 HydrophobicContact CE1-CD1 4.08Å; F88-I95 HydrophobicContact CG-CD1 3.57Å; V91-I95 HydrophobicContact CG1-CD1 4.33Å; V91-I95 HydrophobicContact CG1-CG2 4.27Å; E93-I95 PolarHBondContact O-N 2.87Å; I95-L111 HydrophobicContact CB-CB 4.39Å; I95-L111 HydrophobicContact CD1-CB 3.93Å; I95-L111 HydrophobicContact CD1-CD2 3.86Å; I95-L111 HydrophobicContact CG1-CB 4.42Å; I95-L111 HydrophobicContact CG1-CD2 4.21Å; I95-T112 WeakPolarHBondContact CA-O 3.18Å
96Y96.7Very high95.9Very high45 Ų4552.6 Ų52.618%0.17629%0.29CS..EExtended strand (participates in β ladder)trans-146.3156.8175.648.1-90.8000111.3L111 T112 N113 D114 G115Y96-L111 VanDerWaalsContact O-CA 3.31Å; Y96-L111 WeakPolarHBondContact O-CA 3.07Å; Y96-T112 WeakPolarHBondContact CD1-O 3.14Å; Y96-T112 WeakPolarHBondContact CE1-O 3.37Å; Y96-T112 HydrophobicContact CE2-CG2 4.49Å; Y96-T112 PolarHBondContact N-O 2.95Å; Y96-T112 PolarHBondContact O-N 2.69Å; Y96-N113 VanDerWaalsContact OH-C 3.28Å; Y96-N113 PolarHBondContact OH-O 2.86Å; Y96-D114 VanDerWaalsContact OH-C 3.23Å; Y96-G115 WeakPolarHBondContact OH-CA 3.31Å; Y96-G115 PolarHBondContact OH-N 3.4Å
97P97.7Very high96Very high20 Ų2048.6 Ų48.613%0.1327%0.268CS..EExtended strand (participates in β ladder)trans-72.1140-177.329.7-36000113.1V84 G99 L109 I110V84-P97 HydrophobicContact CG2-CB 4.32Å; V84-P97 HydrophobicContact CG2-CG 4.23Å; P97-G99 PolarHBondContact O-N 3.43Å; P97-L109 HydrophobicContact CB-CD1 4.15Å; P97-L109 HydrophobicContact CB-CD2 3.88Å; P97-L109 HydrophobicContact CB-CG 4.16Å; P97-I110 CarbonylContact C-O 3.55Å; P97-I110 WeakPolarHBondContact CA-O 3.24Å
98V96.4Very high96Very high0 Ų045.8 Ų45.80%026%0.257CS..EExtended strand (participates in β ladder)trans-82.4103.3169.2-177.80000108.8I110 T112 L121 A122V98-I110 HydrophobicContact CB-CB 3.99Å; V98-I110 HydrophobicContact CB-CG2 4.41Å; V98-I110 HydrophobicContact CG2-CB 3.9Å; V98-I110 HydrophobicContact CG2-CG2 3.77Å; V98-I110 PolarHBondContact N-O 3.44Å; V98-T112 HydrophobicContact CG2-CG2 3.7Å; V98-L121 HydrophobicContact CG1-CB 3.74Å; V98-L121 HydrophobicContact CG1-CD1 4.32Å; V98-A122 HydrophobicContact CG1-CB 4.43Å
99G93.4Very high96Very high33 Ų3345.4 Ų45.434%0.3426%0.256SS..SBendtrans67.4-162.2-168.900000111.9P97P97-G99 PolarHBondContact O-N 3.43Å
100R95.1Very high96.3Very high180 Ų18040.5 Ų40.568%0.67922%0.215SC*.  trans-139.9153.5-176-60.1-174.7-61.6165.62.8111.7
101L97.3Very high96.5Very high8 Ų836.5 Ų36.54%0.04218%0.182CC..  trans-118.3145.9162-73.7179000108.4K67 S73 T105 I108 L109 Y132 R206K67-L101 HydrophobicContact CB-CD1 4.38Å; K67-L101 HydrophobicContact CD-CB 3.74Å; K67-L101 HydrophobicContact CD-CD1 4.05Å; K67-L101 HydrophobicContact CD-CG 4.47Å; S73-L101 PolarHBondContact OG-N 2.88Å; S73-L101 VanDerWaalsContact OG-N 3.09Å; S73-L101 PolarHBondContact OG-O 3.02Å; L101-T105 HydrophobicContact CB-CG2 4.39Å; L101-T105 HydrophobicContact CD2-CG2 3.85Å; L101-T105 HydrophobicContact CG-CG2 4.5Å; L101-I108 WeakPolarHBondContact CD1-O 3.31Å; L101-L109 HydrophobicContact CD1-CB 4.46Å; L101-Y132 HydrophobicContact CD2-CE1 4.02Å; L101-R206 HydrophobicContact CD1-CB 4.48Å; L101-R206 HydrophobicContact CD2-CB 4.12Å
102D97.1Very high96.7Very high32 Ų3235.6 Ų35.617%0.17118%0.176CC..  trans-63.2158.8178.4-54.9-23.5000111.1K67 D104 T105 H188 K191K67-D102 PolarHBondContact NZ-O 2.85Å; D102-D104 WeakPolarHBondContact CB-OD1 3.47Å; D102-D104 PolarHBondContact O-N 3.14Å; D102-T105 PolarHBondContact O-N 3.13Å; D102-H188 IonicContact OD1-CD2 3.19Å; D102-H188 PolarHBondContact OD1-CD2 2.81Å; D102-H188 IonicContact OD1-NE2 3.62Å; D102-H188 IonicContact OD2-CD2 3.06Å; D102-H188 PolarHBondContact OD2-CD2 3.46Å; D102-H188 IonicContact OD2-CG 3.87Å; D102-H188 IonicContact OD2-NE2 3.7Å; D102-K191 WeakPolarHBondContact OD2-CE 3.32Å; D102-K191 IonicContact OD2-NZ 3.16Å; D102-K191 PolarHBondContact OD2-NZ 2.63Å; D102-K191 VanDerWaalsContact OD2-NZ 3.16Å
103Y97.3Very high96.8Very high116 Ų11630.6 Ų30.646%0.45514%0.143SC..THydrogen-bonded Turntrans-52.4-43.4-178.8-178.3-108.7000112.6K67 G70 I72K67-Y103 PolarHBondContact NZ-O 3.45Å; G70-Y103 PolarHBondContact N-O 3.33Å; G70-Y103 WeakPolarHBondContact O-CE2 3.47Å; G70-Y103 PolarHBondContact O-OH 2.81Å; I72-Y103 HydrophobicContact CG1-CD2 3.68Å; I72-Y103 HydrophobicContact CG1-CE2 4.12Å
104D97.3Very high96.8Very high62 Ų6229.9 Ų29.933%0.33214%0.141SC..THydrogen-bonded Turntrans-89.73.2-179.466.7-22.1000114.2R69 D102 K191R69-D104 WeakPolarHBondContact CG-O 3.42Å; R69-D104 PolarHBondContact NE-O 3.21Å; D102-D104 WeakPolarHBondContact CB-OD1 3.47Å; D102-D104 PolarHBondContact O-N 3.14Å; D104-K191 IonicContact OD1-NZ 2.66Å; D104-K191 PolarHBondContact OD1-NZ 2.84Å; D104-K191 IonicContact OD2-NZ 2.83Å; D104-K191 PolarHBondContact OD2-NZ 2.85Å
105T98.3Very high96.8Very high1 Ų127.9 Ų27.91%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-102133.9178-60.80000110.3K67 L101 D102 L204K67-T105 PolarHBondContact NZ-O 3.06Å; L101-T105 HydrophobicContact CB-CG2 4.39Å; L101-T105 HydrophobicContact CD2-CG2 3.85Å; L101-T105 HydrophobicContact CG-CG2 4.5Å; D102-T105 PolarHBondContact O-N 3.13Å; T105-L204 HydrophobicContact CG2-CB 4.09Å; T105-L204 HydrophobicContact CG2-CD2 3.99Å; T105-L204 HydrophobicContact CG2-CG 3.92Å
106S98.5Very high96.5Very high17 Ų1731.5 Ų31.512%0.11916%0.158CC..EExtended strand (participates in β ladder)trans-104.9173.5175.761.40000112.4K67 L204 K205 R206K67-S106 CarbonylContact O-C 3.54Å; K67-S106 WeakPolarHBondContact O-CA 3.26Å; K67-S106 VanDerWaalsContact O-CB 3.31Å; K67-S106 WeakPolarHBondContact O-CB 3.47Å; S106-L204 PolarHBondContact N-O 2.82Å; S106-L204 VanDerWaalsContact N-O 3.15Å; S106-K205 CarbonylContact O-C 3.56Å; S106-K205 VanDerWaalsContact O-CA 3.27Å; S106-K205 WeakPolarHBondContact O-CA 3.46Å; S106-R206 PolarHBondContact O-N 3.03Å
107G98.4Very high96.4Very high0 Ų029.6 Ų29.60%015%0.151CC..EExtended strand (participates in β ladder)trans115.5-157.8167.400000113.6K67 L109 R206K67-G107 PolarHBondContact N-O 2.77Å; K67-G107 PolarHBondContact O-N 2.69Å; G107-L109 PolarHBondContact O-N 3.02Å; G107-R206 CarbonylContact C-O 3.56Å; G107-R206 VanDerWaalsContact CA-O 3.26Å; G107-R206 WeakPolarHBondContact CA-O 3.38Å
108I98.2Very high96.2Very high0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-61.1126.9-171.9-68.2-172.5000111.5L64 L101 R206 E207 L212 L214L64-I108 HydrophobicContact CD1-CB 4.37Å; L64-I108 HydrophobicContact CD1-CD1 4.47Å; L64-I108 HydrophobicContact CD1-CG1 4.33Å; L64-I108 HydrophobicContact CD1-CG2 3.49Å; L64-I108 VanDerWaalsContact CD1-CG2 3.49Å; L101-I108 WeakPolarHBondContact CD1-O 3.31Å; I108-R206 PolarHBondContact N-O 3.42Å; I108-R206 PolarHBondContact O-NE 3.42Å; I108-R206 PolarHBondContact O-NH2 2.86Å; I108-E207 WeakPolarHBondContact CD1-O 3.48Å; I108-L212 HydrophobicContact CD1-CB 4.23Å; I108-L212 WeakPolarHBondContact CD1-O 3.45Å; I108-L214 HydrophobicContact CB-CD2 4.4Å; I108-L214 HydrophobicContact CD1-CD2 4.35Å; I108-L214 HydrophobicContact CD1-CG 4.07Å; I108-L214 HydrophobicContact CG1-CD1 4.11Å; I108-L214 HydrophobicContact CG1-CD2 3.38Å; I108-L214 HydrophobicContact CG1-CG 3.42Å; I108-L214 VanDerWaalsContact CG1-CG 3.42Å
109L98.3Very high96Very high0 Ų035.3 Ų35.30%018%0.177CC..EExtended strand (participates in β ladder)trans-137.8136.3164.9-175.463.8000108.8F65 K67 S73 V84 P97 L101 G107 L111F65-L109 WeakPolarHBondContact CA-O 3.22Å; F65-L109 VanDerWaalsContact CB-O 3.31Å; F65-L109 WeakPolarHBondContact CB-O 3.37Å; F65-L109 PolarHBondContact N-O 3.39Å; F65-L109 PolarHBondContact O-N 2.78Å; K67-L109 HydrophobicContact CB-CB 4.34Å; K67-L109 HydrophobicContact CD-CD2 4.25Å; S73-L109 WeakPolarHBondContact OG-CD2 3.37Å; V84-L109 HydrophobicContact CB-CD2 4.45Å; V84-L109 HydrophobicContact CG1-CD2 3.71Å; P97-L109 HydrophobicContact CB-CD1 4.15Å; P97-L109 HydrophobicContact CB-CD2 3.88Å; P97-L109 HydrophobicContact CB-CG 4.16Å; L101-L109 HydrophobicContact CD1-CB 4.46Å; G107-L109 PolarHBondContact O-N 3.02Å; L109-L111 HydrophobicContact CD2-CD1 4.47Å; L109-L111 HydrophobicContact CG-CD1 4.35Å
110I98.3Very high95.9Very high1 Ų138.4 Ų38.41%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-94.4140.9174.7-57.4167000108.1Y63 L64 P97 V98 F117 L121 Y209 L212 L225 L233Y63-I110 CarbonylContact O-C 3.56Å; Y63-I110 VanDerWaalsContact O-CA 3.26Å; Y63-I110 WeakPolarHBondContact O-CA 3.26Å; L64-I110 HydrophobicContact CD1-CG1 4.48Å; P97-I110 CarbonylContact C-O 3.55Å; P97-I110 WeakPolarHBondContact CA-O 3.24Å; V98-I110 HydrophobicContact CB-CB 3.99Å; V98-I110 HydrophobicContact CB-CG2 4.41Å; V98-I110 HydrophobicContact CG2-CB 3.9Å; V98-I110 HydrophobicContact CG2-CG2 3.77Å; V98-I110 PolarHBondContact N-O 3.44Å; I110-F117 HydrophobicContact CG2-CE1 4.16Å; I110-L121 HydrophobicContact CD1-CD1 3.67Å; I110-Y209 HydrophobicContact CD1-CD1 4.05Å; I110-Y209 HydrophobicContact CD1-CE1 4.22Å; I110-Y209 HydrophobicContact CD1-CG 4.45Å; I110-L212 HydrophobicContact CD1-CD1 3.72Å; I110-L212 HydrophobicContact CG1-CD1 4.04Å; I110-L225 HydrophobicContact CG2-CD1 4.32Å; I110-L233 HydrophobicContact CD1-CD1 4.09Å
111L98.4Very high95.9Very high0 Ų029.9 Ų29.90%015%0.147CC..EExtended strand (participates in β ladder)trans-122141.2168.8-68.186.9000109.8Y63 F65 V84 T85 F88 I95 Y96 L109Y63-L111 PolarHBondContact N-O 2.81Å; Y63-L111 PolarHBondContact O-N 2.75Å; F65-L111 HydrophobicContact CB-CD1 3.5Å; F65-L111 HydrophobicContact CD1-CD1 4.03Å; F65-L111 HydrophobicContact CG-CD1 4.06Å; V84-L111 HydrophobicContact CB-CD2 4.3Å; V84-L111 HydrophobicContact CG2-CD2 3.93Å; T85-L111 HydrophobicContact CG2-CD2 4.46Å; F88-L111 HydrophobicContact CD2-CD2 4Å; F88-L111 HydrophobicContact CE2-CD1 3.83Å; F88-L111 HydrophobicContact CE2-CD2 3.72Å; F88-L111 HydrophobicContact CE2-CG 4.36Å; F88-L111 HydrophobicContact CZ-CD1 3.76Å; F88-L111 HydrophobicContact CZ-CD2 4.17Å; F88-L111 HydrophobicContact CZ-CG 4.41Å; I95-L111 HydrophobicContact CB-CB 4.39Å; I95-L111 HydrophobicContact CD1-CB 3.93Å; I95-L111 HydrophobicContact CD1-CD2 3.86Å; I95-L111 HydrophobicContact CG1-CB 4.42Å; I95-L111 HydrophobicContact CG1-CD2 4.21Å; Y96-L111 VanDerWaalsContact O-CA 3.31Å; Y96-L111 WeakPolarHBondContact O-CA 3.07Å; L109-L111 HydrophobicContact CD2-CD1 4.47Å; L109-L111 HydrophobicContact CG-CD1 4.35Å
112T97.8Very high95.5Very high0 Ų031.6 Ų31.60%016%0.162CC..EExtended strand (participates in β ladder)trans-156.5162.9-179.2-172.90000110.8V61 Y62 I95 Y96 V98 D114 F117V61-T112 WeakPolarHBondContact O-CA 3.16Å; V61-T112 WeakPolarHBondContact O-CB 3.3Å; V61-T112 PolarHBondContact O-OG1 2.68Å; Y62-T112 WeakPolarHBondContact CD1-OG1 3.39Å; I95-T112 WeakPolarHBondContact CA-O 3.18Å; Y96-T112 WeakPolarHBondContact CD1-O 3.14Å; Y96-T112 WeakPolarHBondContact CE1-O 3.37Å; Y96-T112 HydrophobicContact CE2-CG2 4.49Å; Y96-T112 PolarHBondContact N-O 2.95Å; Y96-T112 PolarHBondContact O-N 2.69Å; V98-T112 HydrophobicContact CG2-CG2 3.7Å; T112-D114 WeakPolarHBondContact CG2-O 3.46Å; T112-D114 PolarHBondContact OG1-N 2.92Å; T112-F117 HydrophobicContact CG2-CD1 4.2Å
113N95.1Very high95Very high10 Ų1034.4 Ų34.45%0.05317%0.174CC..SBendtrans-97.4-8.716361.5-9.3000112.5E58 E59 P60 V61 R94 Y96 G115E58-N113 WeakPolarHBondContact CB-ND2 3.49Å; E58-N113 PolarHBondContact OE2-ND2 2.91Å; E59-N113 PolarHBondContact O-ND2 3.36Å; P60-N113 VanDerWaalsContact CA-OD1 3.29Å; P60-N113 WeakPolarHBondContact CA-OD1 3.23Å; V61-N113 PolarHBondContact N-OD1 2.85Å; R94-N113 WeakPolarHBondContact O-CB 3.46Å; Y96-N113 VanDerWaalsContact OH-C 3.28Å; Y96-N113 PolarHBondContact OH-O 2.86Å; N113-G115 PolarHBondContact O-N 3.29Å
114D94.1Very high94.4Very high35 Ų3532 Ų3219%0.18717%0.172CC..  trans-79.7107.7178-176.3-15.9000112P60 Y62 Y96 T112 D116 F117 S118P60-D114 HydrophobicContact CB-CB 4.36Å; Y62-D114 HydrophobicContact CE1-CB 3.89Å; Y62-D114 PolarHBondContact OH-OD2 2.77Å; Y96-D114 VanDerWaalsContact OH-C 3.23Å; T112-D114 WeakPolarHBondContact CG2-O 3.46Å; T112-D114 PolarHBondContact OG1-N 2.92Å; D114-D116 PolarHBondContact OD1-N 3.26Å; D114-F117 HydrophobicContact CB-CB 3.86Å; D114-F117 VanDerWaalsContact CG-CB 3.42Å; D114-F117 PolarHBondContact OD1-N 3.1Å; D114-F117 WeakPolarHBondContact OD2-CB 3.34Å; D114-S118 VanDerWaalsContact O-CB 3.29Å; D114-S118 WeakPolarHBondContact O-CB 3.46Å; D114-S118 PolarHBondContact O-N 2.93Å
115G91.6Very high94Very high17 Ų1736.1 Ų36.118%0.17519%0.188CC..Hα-helixtrans-70.7-33.3-177.900000113.7Y96 N113 Q119Y96-G115 WeakPolarHBondContact OH-CA 3.31Å; Y96-G115 PolarHBondContact OH-N 3.4Å; N113-G115 PolarHBondContact O-N 3.29Å; G115-Q119 VanDerWaalsContact O-CB 3.29Å; G115-Q119 WeakPolarHBondContact O-CB 3.28Å; G115-Q119 PolarHBondContact O-N 3.32Å
116D91.3Very high93.6Very high85 Ų8537.9 Ų37.946%0.45520%0.196SC..Hα-helixtrans-76.5-40.4-177.1-64.3-23.5000109.4K6 D114 R120K6-D116 IonicContact NZ-OD1 2.82Å; K6-D116 PolarHBondContact NZ-OD1 2.82Å; K6-D116 IonicContact NZ-OD2 3.23Å; K6-D116 PolarHBondContact NZ-OD2 3.34Å; D114-D116 PolarHBondContact OD1-N 3.26Å; D116-R120 VanDerWaalsContact O-CB 3.3Å; D116-R120 WeakPolarHBondContact O-CB 3.45Å; D116-R120 PolarHBondContact O-N 3.03Å
117F94.5Very high93.2Very high5 Ų540.8 Ų40.82%0.02221%0.207CC..Hα-helixtrans-59.7-50.1168.8179.8-94.8000111.7Y62 I110 T112 D114 Q119 R120 L121 I230 L233 L234Y62-F117 AromaticContact CD1-CD1 3.72Å; Y62-F117 HydrophobicContact CD1-CD1 3.72Å; Y62-F117 HydrophobicContact CD1-CD2 4.32Å; Y62-F117 AromaticContact CD1-CE1 3.7Å; Y62-F117 HydrophobicContact CD1-CE1 3.7Å; Y62-F117 HydrophobicContact CD1-CE2 4.34Å; Y62-F117 HydrophobicContact CD1-CG 4.02Å; Y62-F117 HydrophobicContact CD1-CZ 4.01Å; Y62-F117 HydrophobicContact CE1-CB 3.91Å; Y62-F117 AromaticContact CE1-CD1 3.74Å; Y62-F117 HydrophobicContact CE1-CD1 3.74Å; Y62-F117 AromaticContact CE1-CD2 3.86Å; Y62-F117 HydrophobicContact CE1-CD2 3.86Å; Y62-F117 HydrophobicContact CE1-CE1 4.13Å; Y62-F117 HydrophobicContact CE1-CE2 4.27Å; Y62-F117 AromaticContact CE1-CG 3.57Å; Y62-F117 HydrophobicContact CE1-CG 3.57Å; Y62-F117 HydrophobicContact CE1-CZ 4.37Å; I110-F117 HydrophobicContact CG2-CE1 4.16Å; T112-F117 HydrophobicContact CG2-CD1 4.2Å; D114-F117 HydrophobicContact CB-CB 3.86Å; D114-F117 VanDerWaalsContact CG-CB 3.42Å; D114-F117 PolarHBondContact OD1-N 3.1Å; D114-F117 WeakPolarHBondContact OD2-CB 3.34Å; F117-Q119 VanDerWaalsContact C-N 3.35Å; F117-Q119 PolarHBondContact O-N 3.09Å; F117-R120 PolarHBondContact O-N 3.44Å; F117-L121 HydrophobicContact CD1-CD1 4.04Å; F117-L121 HydrophobicContact CD1-CG 4.3Å; F117-L121 HydrophobicContact CE1-CD1 3.32Å; F117-L121 HydrophobicContact CE1-CG 4.03Å; F117-L121 HydrophobicContact CE2-CD1 4.07Å; F117-L121 HydrophobicContact CE2-CD2 4.44Å; F117-L121 HydrophobicContact CE2-CG 4.33Å; F117-L121 HydrophobicContact CZ-CD1 3.35Å; F117-L121 HydrophobicContact CZ-CD2 4.49Å; F117-L121 HydrophobicContact CZ-CG 4.06Å; F117-L121 WeakPolarHBondContact O-CG 3.38Å; F117-L121 PolarHBondContact O-N 3.23Å; F117-I230 HydrophobicContact CD2-CG2 4.39Å; F117-I230 HydrophobicContact CE2-CG2 3.89Å; F117-L233 HydrophobicContact CZ-CD1 4.13Å; F117-L234 HydrophobicContact CD2-CD1 4.4Å; F117-L234 HydrophobicContact CD2-CD2 3.7Å; F117-L234 HydrophobicContact CD2-CG 4.11Å; F117-L234 HydrophobicContact CE2-CD2 4.05Å; F117-L234 HydrophobicContact CE2-CG 4.1Å
118S94.3Very high93Very high15 Ų1541 Ų4111%0.10521%0.208CC..Hα-helixtrans-58.1-45.8179.6-176.80000112.2D114 R120 L121 A122D114-S118 VanDerWaalsContact O-CB 3.29Å; D114-S118 WeakPolarHBondContact O-CB 3.46Å; D114-S118 PolarHBondContact O-N 2.93Å; S118-R120 PolarHBondContact O-N 2.75Å; S118-L121 PolarHBondContact O-N 2.84Å; S118-A122 VanDerWaalsContact O-CB 3.26Å; S118-A122 WeakPolarHBondContact O-CB 3.29Å; S118-A122 PolarHBondContact O-N 3.24Å
119Q91.4Very high92.9Very high124 Ų12443.5 Ų43.558%0.57922%0.222SC*.Hα-helixtrans-61.4-45.8177.2-178.5176.38.700111.5G115 F117 L121 A122 H123G115-Q119 VanDerWaalsContact O-CB 3.29Å; G115-Q119 WeakPolarHBondContact O-CB 3.28Å; G115-Q119 PolarHBondContact O-N 3.32Å; F117-Q119 VanDerWaalsContact C-N 3.35Å; F117-Q119 PolarHBondContact O-N 3.09Å; Q119-L121 VanDerWaalsContact C-N 3.33Å; Q119-L121 PolarHBondContact O-N 3.41Å; Q119-A122 PolarHBondContact O-N 3.04Å; Q119-H123 VanDerWaalsContact O-CB 3.24Å; Q119-H123 WeakPolarHBondContact O-CB 3.35Å; Q119-H123 PolarHBondContact O-N 3.08Å
120R92.5Very high92.8Very high98 Ų9844.1 Ų44.137%0.3723%0.225SC..Hα-helixtrans-63.8-36.5-179.2-173.5164176.7-1681112.5D116 F117 S118 H126 L234 S237D116-R120 VanDerWaalsContact O-CB 3.3Å; D116-R120 WeakPolarHBondContact O-CB 3.45Å; D116-R120 PolarHBondContact O-N 3.03Å; F117-R120 PolarHBondContact O-N 3.44Å; S118-R120 PolarHBondContact O-N 2.75Å; R120-H126 WeakPolarHBondContact O-CB 3.19Å; R120-H126 PolarHBondContact O-CD2 2.82Å; R120-H126 VanDerWaalsContact O-CG 3.28Å; R120-L234 HydrophobicContact CG-CD2 4.38Å; R120-L234 PolarHBondContact NH2-O 3.42Å; R120-S237 VanDerWaalsContact CZ-OG 3.25Å; R120-S237 PolarHBondContact NE-OG 3.5Å; R120-S237 PolarHBondContact NH2-OG 3.49Å
121L93.3Very high92.8Very high1 Ų144.4 Ų44.41%0.00523%0.226CC..Hα-helixtrans-77.2-40.6176.7-62-162.4000112.9V98 I110 F117 S118 Q119 I128 Y209 L233V98-L121 HydrophobicContact CG1-CB 3.74Å; V98-L121 HydrophobicContact CG1-CD1 4.32Å; I110-L121 HydrophobicContact CD1-CD1 3.67Å; F117-L121 HydrophobicContact CD1-CD1 4.04Å; F117-L121 HydrophobicContact CD1-CG 4.3Å; F117-L121 HydrophobicContact CE1-CD1 3.32Å; F117-L121 HydrophobicContact CE1-CG 4.03Å; F117-L121 HydrophobicContact CE2-CD1 4.07Å; F117-L121 HydrophobicContact CE2-CD2 4.44Å; F117-L121 HydrophobicContact CE2-CG 4.33Å; F117-L121 HydrophobicContact CZ-CD1 3.35Å; F117-L121 HydrophobicContact CZ-CD2 4.49Å; F117-L121 HydrophobicContact CZ-CG 4.06Å; F117-L121 WeakPolarHBondContact O-CG 3.38Å; F117-L121 PolarHBondContact O-N 3.23Å; S118-L121 PolarHBondContact O-N 2.84Å; Q119-L121 VanDerWaalsContact C-N 3.33Å; Q119-L121 PolarHBondContact O-N 3.41Å; L121-I128 HydrophobicContact CB-CD1 4.22Å; L121-I128 HydrophobicContact CD2-CD1 3.32Å; L121-I128 HydrophobicContact CG-CD1 4.32Å; L121-Y209 HydrophobicContact CB-CE1 4.3Å; L121-Y209 HydrophobicContact CD1-CE1 4.26Å; L121-Y209 PolarHBondContact O-OH 2.9Å; L121-L233 HydrophobicContact CD1-CB 4.49Å; L121-L233 HydrophobicContact CD1-CD1 4.17Å; L121-L233 HydrophobicContact CD2-CB 3.92Å
122A90Very high92.8Very high44 Ų4445.2 Ų45.236%0.36423%0.229SC..Hα-helixtrans-77-26.5-173.500000113.8V98 S118 Q119V98-A122 HydrophobicContact CG1-CB 4.43Å; S118-A122 VanDerWaalsContact O-CB 3.26Å; S118-A122 WeakPolarHBondContact O-CB 3.29Å; S118-A122 PolarHBondContact O-N 3.24Å; Q119-A122 PolarHBondContact O-N 3.04Å
123H87.1Confident92.8Very high91 Ų9146.6 Ų46.642%0.42124%0.238SC..SBendtrans-74.4127.3-171.5-169.9-82.4000112.3Q119 K125 H126Q119-H123 VanDerWaalsContact O-CB 3.24Å; Q119-H123 WeakPolarHBondContact O-CB 3.35Å; Q119-H123 PolarHBondContact O-N 3.08Å; H123-K125 WeakPolarHBondContact ND1-CB 3.41Å; H123-K125 PolarHBondContact ND1-N 3.25Å; H123-K125 PolarHBondContact O-N 3.41Å; H123-H126 PolarHBondContact O-N 2.93Å; H123-H126 VanDerWaalsContact O-N 3.09Å
124P84.7Confident93Very high65 Ų6546.1 Ų46.142%0.42224%0.235SC..G310 helixtrans-58-26.6-173.8-27.334.6000115.7H126 Q127 E184P124-H126 PolarHBondContact O-N 2.83Å; P124-Q127 PolarHBondContact O-N 3.5Å; P124-Q127 VanDerWaalsContact O-N 3.13Å; P124-E184 HydrophobicContact CB-CB 4.22Å
125K88.5Confident93.2Very high150 Ų15048.4 Ų48.465%0.65224%0.243SC*.G310 helixtrans-54.7-34.1176.9-177.3-178.3173.2-175.50112.5H123 Q127H123-K125 WeakPolarHBondContact ND1-CB 3.41Å; H123-K125 PolarHBondContact ND1-N 3.25Å; H123-K125 PolarHBondContact O-N 3.41Å; K125-Q127 VanDerWaalsContact C-N 3.26Å; K125-Q127 PolarHBondContact O-N 2.97Å
126H88.9Confident93.5Very high38 Ų3847.6 Ų47.618%0.17624%0.235CC..G310 helixtrans-80.4-8.1-175.2-65.9-49.8000113.9R120 H123 P124 I128 S237 K238R120-H126 WeakPolarHBondContact O-CB 3.19Å; R120-H126 PolarHBondContact O-CD2 2.82Å; R120-H126 VanDerWaalsContact O-CG 3.28Å; H123-H126 PolarHBondContact O-N 2.93Å; H123-H126 VanDerWaalsContact O-N 3.09Å; P124-H126 PolarHBondContact O-N 2.83Å; H126-I128 HydrophobicContact CB-CG1 4.49Å; H126-I128 PolarHBondContact O-N 2.86Å; H126-I128 VanDerWaalsContact O-N 3.08Å; H126-S237 WeakPolarHBondContact O-CA 3.24Å; H126-K238 PolarHBondContact ND1-O 2.88Å; H126-K238 PolarHBondContact O-N 3.32Å; H126-K238 VanDerWaalsContact O-N 3.1Å
127Q90.7Very high93.8Very high78 Ų7849.5 Ų49.536%0.36424%0.239SC..  trans50.635.7171-59-179.59.500115.4P124 K125 D129 H183 K238P124-Q127 PolarHBondContact O-N 3.5Å; P124-Q127 VanDerWaalsContact O-N 3.13Å; K125-Q127 VanDerWaalsContact C-N 3.26Å; K125-Q127 PolarHBondContact O-N 2.97Å; Q127-D129 PolarHBondContact O-N 3.37Å; Q127-H183 HydrophobicContact CB-CB 4.14Å; Q127-K238 HydrophobicContact CB-CD 4.36Å
128I94Very high93.9Very high3 Ų350.1 Ų50.12%0.01525%0.247CC..  trans-71.9120.2175.8-57.6-178.7000109.3L121 H126 K130 Y209L121-I128 HydrophobicContact CB-CD1 4.22Å; L121-I128 HydrophobicContact CD2-CD1 3.32Å; L121-I128 HydrophobicContact CG-CD1 4.32Å; H126-I128 HydrophobicContact CB-CG1 4.49Å; H126-I128 PolarHBondContact O-N 2.86Å; H126-I128 VanDerWaalsContact O-N 3.08Å; I128-K130 PolarHBondContact O-NZ 3.04Å; I128-Y209 HydrophobicContact CB-CE1 4.41Å; I128-Y209 HydrophobicContact CG2-CD1 3.95Å; I128-Y209 HydrophobicContact CG2-CE1 3.65Å
129D95.7Very high93.9Very high54 Ų5454.7 Ų54.729%0.28926%0.263SS..  trans-63.3138.5-179-85.5-6.9000111.9Q127 R163 T181 G210Q127-D129 PolarHBondContact O-N 3.37Å; D129-R163 IonicContact OD2-CZ 2.68Å; D129-R163 IonicContact OD2-NH2 2.77Å; D129-R163 PolarHBondContact OD2-NH2 3.39Å; D129-T181 HydrophobicContact CB-CG2 3.85Å; D129-G210 PolarHBondContact O-N 3.14Å
130K96.9Very high94.1Very high13 Ų1349 Ų496%0.05724%0.237CC..EExtended strand (participates in β ladder)trans-127.5121.1176.3-60.6162.6-167710106.6I128 Y132 T181 I182 H183 Y209I128-K130 PolarHBondContact O-NZ 3.04Å; K130-Y132 HydrophobicContact CB-CD2 4.31Å; K130-Y132 HydrophobicContact CB-CE2 3.59Å; K130-T181 WeakPolarHBondContact O-CA 3.13Å; K130-I182 HydrophobicContact CB-CG1 4.4Å; K130-I182 WeakPolarHBondContact CB-O 3.41Å; K130-I182 PolarHBondContact N-O 2.9Å; K130-I182 PolarHBondContact O-N 2.77Å; K130-H183 PolarHBondContact NZ-O 3.31Å; K130-Y209 HydrophobicContact CD-CE2 4.22Å; K130-Y209 HydrophobicContact CG-CD2 4Å; K130-Y209 HydrophobicContact CG-CE2 4.05Å
131V98.1Very high94.3Very high6 Ų649.6 Ų49.64%0.03624%0.244CC..EExtended strand (participates in β ladder)trans-107.3121.8-175-174.30000109E179 T181 R206 E207 R208V131-E179 HydrophobicContact CG1-CG 3.36Å; V131-E179 VanDerWaalsContact CG1-OE1 3.29Å; V131-E179 WeakPolarHBondContact CG1-OE1 3.41Å; V131-E179 WeakPolarHBondContact CG1-OE2 3.34Å; V131-T181 HydrophobicContact CG2-CG2 4.1Å; V131-R206 CarbonylContact O-C 3.56Å; V131-R206 WeakPolarHBondContact O-CA 3.4Å; V131-E207 PolarHBondContact O-N 3.47Å; V131-R208 HydrophobicContact CB-CB 3.85Å; V131-R208 HydrophobicContact CB-CG 4.4Å; V131-R208 HydrophobicContact CG2-CB 3.94Å; V131-R208 PolarHBondContact N-O 3.14Å; V131-R208 PolarHBondContact O-N 3.44Å
132Y98.5Very high94.4Very high18 Ų1856.6 Ų56.67%0.07127%0.274CS..EExtended strand (participates in β ladder)trans-115.2134.2-178.6-67.5-97.4000110.3L101 K130 E179 L180 I182 V190 L204 K205 R206L101-Y132 HydrophobicContact CD2-CE1 4.02Å; K130-Y132 HydrophobicContact CB-CD2 4.31Å; K130-Y132 HydrophobicContact CB-CE2 3.59Å; Y132-E179 CarbonylContact O-C 3.53Å; Y132-E179 VanDerWaalsContact O-CA 3.26Å; Y132-E179 WeakPolarHBondContact O-CA 3.5Å; Y132-L180 PolarHBondContact N-O 3.04Å; Y132-L180 PolarHBondContact O-N 3.3Å; Y132-I182 HydrophobicContact CD2-CD1 4.47Å; Y132-I182 HydrophobicContact CD2-CG1 4.24Å; Y132-I182 HydrophobicContact CE2-CD1 3.95Å; Y132-I182 HydrophobicContact CE2-CG1 3.91Å; Y132-V190 HydrophobicContact CD1-CG2 4.25Å; Y132-V190 HydrophobicContact CD2-CG2 3.74Å; Y132-V190 HydrophobicContact CE1-CG2 4.44Å; Y132-V190 HydrophobicContact CE2-CG2 3.97Å; Y132-V190 HydrophobicContact CG-CG2 3.88Å; Y132-L204 HydrophobicContact CD1-CD1 4.02Å; Y132-L204 HydrophobicContact CD1-CD2 4.15Å; Y132-L204 HydrophobicContact CD1-CG 3.99Å; Y132-L204 HydrophobicContact CE1-CD2 4.49Å; Y132-L204 HydrophobicContact CG-CD1 4.4Å; Y132-K205 CarbonylContact C-O 3.58Å; Y132-K205 VanDerWaalsContact CA-O 3.26Å; Y132-K205 WeakPolarHBondContact CA-O 3.42Å; Y132-R206 HydrophobicContact CD1-CB 3.83Å; Y132-R206 HydrophobicContact CD1-CG 4.35Å; Y132-R206 HydrophobicContact CE1-CB 3.66Å; Y132-R206 HydrophobicContact CE1-CG 4.08Å; Y132-R206 HydrophobicContact CE2-CG 4.45Å; Y132-R206 PolarHBondContact OH-NH1 3.22Å; Y132-R206 VanDerWaalsContact OH-NH1 3.16Å
133V98.6Very high94.7Very high28 Ų2864.8 Ų64.817%0.1730%0.296CS..EExtended strand (participates in β ladder)trans-103.3119.9167.6174.70000108.1L167 I177 E179 K205 E207V133-L167 HydrophobicContact CG1-CD1 4.18Å; V133-L167 HydrophobicContact CG2-CD1 4.07Å; V133-I177 HydrophobicContact CG1-CG2 3.53Å; V133-E179 HydrophobicContact CG2-CB 4.45Å; V133-E179 HydrophobicContact CG2-CG 4.42Å; V133-K205 PolarHBondContact N-O 3.09Å; V133-K205 PolarHBondContact O-N 2.95Å; V133-E207 HydrophobicContact CB-CG 3.96Å; V133-E207 HydrophobicContact CG2-CB 4.45Å; V133-E207 HydrophobicContact CG2-CG 3.5Å
134A98.6Very high95Very high0 Ų062.2 Ų62.20%029%0.29CS..EExtended strand (participates in β ladder)trans-114.6127.5-178.200000110.3V136 I177 V178 L194 V201 K203 L204A134-V136 HydrophobicContact CB-CG1 4.11Å; A134-I177 WeakPolarHBondContact O-CA 3.05Å; A134-V178 PolarHBondContact N-O 3.17Å; A134-V178 PolarHBondContact O-N 3.48Å; A134-L194 HydrophobicContact CB-CD1 3.64Å; A134-V201 HydrophobicContact CB-CG1 4.35Å; A134-V201 HydrophobicContact CB-CG2 4.34Å; A134-K203 CarbonylContact C-O 3.52Å; A134-K203 VanDerWaalsContact CA-O 3.32Å; A134-K203 WeakPolarHBondContact CA-O 3.4Å; A134-L204 HydrophobicContact CB-CD1 3.8Å
135K98.4Very high95.6Very high83 Ų8359.1 Ų59.136%0.36127%0.27SS..EExtended strand (participates in β ladder)trans-82.7123.2158.1-174.3178.2-178.1177.10107.4S176 Q202 K203K135-S176 WeakPolarHBondContact CA-O 3.31Å; K135-Q202 PolarHBondContact O-N 3.33Å; K135-K203 HydrophobicContact CB-CB 4.13Å; K135-K203 PolarHBondContact N-O 3.26Å; K135-K203 PolarHBondContact O-N 3.23Å
136V98.5Very high96Very high0 Ų055.8 Ų55.80%026%0.259CS..EExtended strand (participates in β ladder)trans-116.9150.2-178.5-62.60000111.2A134 T175 S176 V178 L194 L199 P200 V201A134-V136 HydrophobicContact CB-CG1 4.11Å; V136-T175 WeakPolarHBondContact O-CA 3.26Å; V136-S176 WeakPolarHBondContact CG2-O 3.34Å; V136-S176 PolarHBondContact N-O 2.93Å; V136-S176 PolarHBondContact O-N 3.24Å; V136-S176 VanDerWaalsContact O-N 3.13Å; V136-V178 HydrophobicContact CG2-CG2 4.14Å; V136-L194 HydrophobicContact CG1-CD1 3.98Å; V136-L199 HydrophobicContact CB-CB 3.99Å; V136-L199 HydrophobicContact CG1-CB 4.22Å; V136-L199 WeakPolarHBondContact CG1-O 3.39Å; V136-L199 HydrophobicContact CG2-CB 4.08Å; V136-L199 HydrophobicContact CG2-CD2 4.09Å; V136-L199 HydrophobicContact CG2-CG 4.48Å; V136-P200 WeakPolarHBondContact CA-O 3.3Å; V136-V201 HydrophobicContact CG1-CG2 4.23Å
137K97.7Very high96.4Very high125 Ų12556.8 Ų56.854%0.54327%0.269SS..EExtended strand (participates in β ladder)trans-79.9130166.2-177.2-177.8179.1-178.40108.2P200 Q202K137-P200 HydrophobicContact CB-CG 4.18Å; K137-P200 PolarHBondContact N-O 2.84Å; K137-Q202 HydrophobicContact CB-CG 4.29Å
138G95.8Very high96.7Very high19 Ų1953 Ų5320%0.19625%0.252CS..SBendtrans111.3166.4-17700000113.6E174 T175 S176G138-E174 WeakPolarHBondContact CA-O 3.45Å; G138-E174 PolarHBondContact N-O 3.27Å; G138-T175 CarbonylContact O-C 3.41Å; G138-T175 WeakPolarHBondContact O-CA 3.4Å; G138-S176 PolarHBondContact O-N 2.89Å; G138-S176 PolarHBondContact O-OG 2.92Å
139Y94.2Very high96.9Very high111 Ų11155.5 Ų55.544%0.43527%0.267SS..  trans-89.5112.7175.3-176.9-110.1000109.2E141 A169 K171 S176Y139-E141 HydrophobicContact CD1-CG 3.49Å; Y139-E141 VanDerWaalsContact CD1-CG 3.49Å; Y139-E141 HydrophobicContact CE1-CG 3.43Å; Y139-E141 VanDerWaalsContact CE1-CG 3.43Å; Y139-E141 PolarHBondContact O-N 3.13Å; Y139-A169 HydrophobicContact CD2-CB 3.82Å; Y139-A169 HydrophobicContact CE2-CB 3.52Å; Y139-K171 HydrophobicContact CD2-CB 4.06Å; Y139-K171 HydrophobicContact CD2-CG 4.5Å; Y139-K171 HydrophobicContact CE2-CB 4.2Å; Y139-S176 WeakPolarHBondContact CA-OG 3.21Å
140A96.4Very high96.9Very high3 Ų360.5 Ų60.53%0.02529%0.286CS..  trans-77.5117.4-179.300000109.5L145 I166 S176 V178 L199A140-L145 HydrophobicContact CB-CD1 4.36Å; A140-I166 HydrophobicContact CB-CD1 4.3Å; A140-I166 HydrophobicContact CB-CG1 4.25Å; A140-I166 HydrophobicContact CB-CG2 4.31Å; A140-I166 WeakPolarHBondContact O-CD1 3.38Å; A140-S176 VanDerWaalsContact CB-CB 3.49Å; A140-S176 PolarHBondContact N-OG 3.1Å; A140-V178 HydrophobicContact CB-CG2 3.75Å; A140-L199 HydrophobicContact CB-CD1 3.97Å; A140-L199 HydrophobicContact CB-CD2 4.48Å
141E95.3Very high96.8Very high111 Ų11160.4 Ų60.452%0.51929%0.289SS..  trans-111.2144.4172.1-68.2-176.374.500110Y139 R143 A144 L145Y139-E141 HydrophobicContact CD1-CG 3.49Å; Y139-E141 VanDerWaalsContact CD1-CG 3.49Å; Y139-E141 HydrophobicContact CE1-CG 3.43Å; Y139-E141 VanDerWaalsContact CE1-CG 3.43Å; Y139-E141 PolarHBondContact O-N 3.13Å; E141-R143 PolarHBondContact O-N 3.44Å; E141-R143 VanDerWaalsContact O-N 3.14Å; E141-A144 WeakPolarHBondContact O-CB 3.37Å; E141-A144 PolarHBondContact O-N 2.8Å; E141-L145 PolarHBondContact O-N 3.15Å
142K96Very high96.7Very high149 Ų14961.7 Ų61.765%0.64830%0.295SS*.Hα-helixtrans-50.7-43.7178-173.3176.8-178.7175.80111.2A144 L145 L146 F164K142-A144 VanDerWaalsContact C-N 3.34Å; K142-A144 PolarHBondContact O-N 3.06Å; K142-L145 PolarHBondContact O-N 3.19Å; K142-L146 WeakPolarHBondContact O-CG 3.31Å; K142-L146 PolarHBondContact O-N 2.79Å; K142-L146 VanDerWaalsContact O-N 3.07Å; K142-F164 HydrophobicContact CG-CE2 4.28Å; K142-F164 HydrophobicContact CG-CZ 3.98Å
143R95.8Very high96.5Very high215 Ų21570.4 Ų70.481%0.81133%0.328SS*.Hα-helixtrans-59.5-40.4-180-173178.4-180-179.20.5112.8E141 L145E141-R143 PolarHBondContact O-N 3.44Å; E141-R143 VanDerWaalsContact O-N 3.14Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 3.48Å
144A94.1Very high96.2Very high37 Ų3769.5 Ų69.531%0.30632%0.322SS..Hα-helixtrans-68.1-32.7179.500000112.1E141 K142 P147 V197E141-A144 WeakPolarHBondContact O-CB 3.37Å; E141-A144 PolarHBondContact O-N 2.8Å; K142-A144 VanDerWaalsContact C-N 3.34Å; K142-A144 PolarHBondContact O-N 3.06Å; A144-P147 VanDerWaalsContact O-CD 3.27Å; A144-P147 WeakPolarHBondContact O-CD 3.19Å; A144-V197 WeakPolarHBondContact O-CB 3.12Å; A144-V197 WeakPolarHBondContact O-CG1 3.36Å
145L97.2Very high95.7Very high0 Ų075.3 Ų75.30%035%0.349CS..Hα-helixtrans-86.7-17.5-179-68.1167.8000114A140 E141 K142 R143 P147 L148 F164 I166 V178 L194 V197 L199A140-L145 HydrophobicContact CB-CD1 4.36Å; E141-L145 PolarHBondContact O-N 3.15Å; K142-L145 PolarHBondContact O-N 3.19Å; R143-L145 VanDerWaalsContact C-N 3.32Å; R143-L145 PolarHBondContact O-N 3.48Å; L145-P147 VanDerWaalsContact C-N 3.31Å; L145-L148 HydrophobicContact CD2-CD1 3.66Å; L145-L148 VanDerWaalsContact O-CB 3.28Å; L145-L148 WeakPolarHBondContact O-CB 3.43Å; L145-L148 WeakPolarHBondContact O-CG 3.5Å; L145-L148 PolarHBondContact O-N 2.87Å; L145-F164 HydrophobicContact CB-CD1 3.78Å; L145-F164 HydrophobicContact CB-CD2 3.9Å; L145-F164 HydrophobicContact CB-CE1 3.58Å; L145-F164 HydrophobicContact CB-CE2 3.72Å; L145-F164 HydrophobicContact CB-CG 3.93Å; L145-F164 HydrophobicContact CB-CZ 3.55Å; L145-F164 HydrophobicContact CD1-CD2 3.57Å; L145-F164 HydrophobicContact CD1-CE2 3.81Å; L145-F164 HydrophobicContact CD1-CG 4.12Å; L145-F164 HydrophobicContact CG-CD2 4.35Å; L145-F164 HydrophobicContact CG-CE2 4.43Å; L145-I166 HydrophobicContact CD1-CD1 4.02Å; L145-I166 HydrophobicContact CD1-CG1 3.74Å; L145-V178 HydrophobicContact CD1-CG1 4.09Å; L145-V178 HydrophobicContact CD1-CG2 4.31Å; L145-V178 HydrophobicContact CD2-CG1 4.39Å; L145-L194 HydrophobicContact CD2-CD2 3.9Å; L145-V197 HydrophobicContact CD2-CG2 4.16Å; L145-L199 HydrophobicContact CD2-CD1 3.78Å; L145-L199 HydrophobicContact CG-CD1 4.17Å
146L97Very high95.3Very high80 Ų8075 Ų7542%0.41937%0.369SS..Hα-helixtrans-50.2-38.6179-77178.7000114.9K142 L148 T149K142-L146 WeakPolarHBondContact O-CG 3.31Å; K142-L146 PolarHBondContact O-N 2.79Å; K142-L146 VanDerWaalsContact O-N 3.07Å; L146-L148 PolarHBondContact O-N 3.01Å; L146-T149 PolarHBondContact O-N 2.78Å; L146-T149 VanDerWaalsContact O-N 3.14Å; L146-T149 PolarHBondContact O-OG1 3.38Å
147P96.7Very high95.1Very high59 Ų5981.5 Ų81.538%0.38340%0.397SS..Hα-helixtrans-56.9-30.1176.1-27.137000114A144 L145 T149 K150 G151 V197A144-P147 VanDerWaalsContact O-CD 3.27Å; A144-P147 WeakPolarHBondContact O-CD 3.19Å; L145-P147 VanDerWaalsContact C-N 3.31Å; P147-T149 VanDerWaalsContact C-N 3.26Å; P147-T149 PolarHBondContact O-N 3.04Å; P147-K150 PolarHBondContact O-N 3.32Å; P147-G151 PolarHBondContact O-N 3.24Å; P147-V197 HydrophobicContact CB-CG1 4.48Å
148L97.4Very high95Very high0 Ų081.7 Ų81.70%040%0.398CS..Hα-helixtrans-65.2-30.4180-55.1-175.8000112.2L145 L146 K150 G151 I152 A162 L180 M193 L194 V197L145-L148 HydrophobicContact CD2-CD1 3.66Å; L145-L148 VanDerWaalsContact O-CB 3.28Å; L145-L148 WeakPolarHBondContact O-CB 3.43Å; L145-L148 WeakPolarHBondContact O-CG 3.5Å; L145-L148 PolarHBondContact O-N 2.87Å; L146-L148 PolarHBondContact O-N 3.01Å; L148-K150 VanDerWaalsContact C-N 3.26Å; L148-K150 PolarHBondContact O-N 3.39Å; L148-G151 PolarHBondContact O-N 3Å; L148-I152 HydrophobicContact CD2-CG2 3.9Å; L148-A162 HydrophobicContact CB-CB 4.48Å; L148-A162 PolarHBondContact O-N 2.91Å; L148-L180 HydrophobicContact CD1-CD1 3.91Å; L148-M193 HydrophobicContact CB-CE 4.23Å; L148-M193 HydrophobicContact CD2-CB 4.02Å; L148-M193 HydrophobicContact CD2-CE 3.96Å; L148-L194 HydrophobicContact CD1-CD2 4.14Å; L148-V197 HydrophobicContact CD1-CG2 4.39Å; L148-V197 HydrophobicContact CD2-CG1 3.83Å; L148-V197 HydrophobicContact CG-CG1 4.17Å
149T97.1Very high95Very high55 Ų5581 Ų8134%0.33739%0.39SS..Hα-helixtrans-75.2-14.9-179.6740000113.4L146 P147 P161 A162 F164L146-T149 PolarHBondContact O-N 2.78Å; L146-T149 VanDerWaalsContact O-N 3.14Å; L146-T149 PolarHBondContact O-OG1 3.38Å; P147-T149 VanDerWaalsContact C-N 3.26Å; P147-T149 PolarHBondContact O-N 3.04Å; T149-P161 WeakPolarHBondContact O-CB 3.31Å; T149-A162 VanDerWaalsContact CA-O 3.29Å; T149-A162 WeakPolarHBondContact CA-O 3.44Å; T149-F164 HydrophobicContact CG2-CD1 3.68Å; T149-F164 HydrophobicContact CG2-CE1 3.54Å
150K96.1Very high95.1Very high159 Ų15976.9 Ų76.969%0.69138%0.379SS*.THydrogen-bonded Turntrans-101.7-2.9174.4-59.8-175.4-178.8-178.10112.8P147 L148 K158P147-K150 PolarHBondContact O-N 3.32Å; L148-K150 VanDerWaalsContact C-N 3.26Å; L148-K150 PolarHBondContact O-N 3.39Å; K150-K158 WeakPolarHBondContact O-CE 3.31Å; K150-K158 PolarHBondContact O-NZ 2.74Å
151G95.4Very high95.1Very high11 Ų1180.6 Ų80.611%0.11340%0.403CS..  trans77.2137-168.300000112.1P147 L148 K158 T159P147-G151 PolarHBondContact O-N 3.24Å; L148-G151 PolarHBondContact O-N 3Å; G151-K158 WeakPolarHBondContact O-CE 3.46Å; G151-T159 WeakPolarHBondContact CA-O 3.33Å; G151-T159 WeakPolarHBondContact CA-OG1 3.43Å
152I95.2Very high95.2Very high33 Ų3375.5 Ų75.517%0.16938%0.38CS..  trans-115.6158.1-179.7-170.8160.9000110L148 I154 K158 T159 M193 A196 V197L148-I152 HydrophobicContact CD2-CG2 3.9Å; I152-I154 HydrophobicContact CG2-CG2 4.18Å; I152-K158 CarbonylContact O-C 3.53Å; I152-K158 WeakPolarHBondContact O-CA 3.26Å; I152-T159 HydrophobicContact CG2-CG2 4.46Å; I152-T159 PolarHBondContact N-OG1 3.1Å; I152-T159 VanDerWaalsContact N-OG1 3.11Å; I152-T159 PolarHBondContact O-N 3.18Å; I152-T159 PolarHBondContact O-OG1 3.04Å; I152-M193 HydrophobicContact CG2-CG 4.09Å; I152-A196 HydrophobicContact CD1-CB 3.68Å; I152-V197 HydrophobicContact CD1-CG1 4.13Å
153R94.5Very high95.2Very high200 Ų20075.9 Ų75.976%0.75538%0.377SS*.EExtended strand (participates in β ladder)trans-83.7119.9171.8-75.7-176.3171.6163.9-2.3109.6K157 K158R153-K157 WeakPolarHBondContact CA-O 3.42Å; R153-K158 HydrophobicContact CG-CB 4.47Å
154I92.7Very high95.4Very high10 Ų1067.9 Ų67.95%0.05135%0.348CS..EExtended strand (participates in β ladder)trans-126.2140166.962.4179.6000107.2I152 G156 K157 T159 Q189 N192 M193I152-I154 HydrophobicContact CG2-CG2 4.18Å; I154-G156 PolarHBondContact O-N 3.04Å; I154-G156 VanDerWaalsContact O-N 3.12Å; I154-K157 PolarHBondContact N-O 3.01Å; I154-K157 PolarHBondContact O-N 3.22Å; I154-T159 HydrophobicContact CD1-CG2 3.51Å; I154-T159 HydrophobicContact CG1-CG2 3.65Å; I154-Q189 HydrophobicContact CD1-CB 4.41Å; I154-Q189 HydrophobicContact CD1-CG 3.93Å; I154-N192 HydrophobicContact CB-CB 4.18Å; I154-N192 HydrophobicContact CD1-CB 4.07Å; I154-N192 HydrophobicContact CG2-CB 4.05Å; I154-M193 HydrophobicContact CD1-CG 4.06Å; I154-M193 HydrophobicContact CG2-CG 4.42Å
155E87.9Confident95.5Very high122 Ų12271.4 Ų71.457%0.5736%0.358SS*.THydrogen-bonded Turntrans51.641.3176.6-55.4177.5163.300113.1K157 N192E155-K157 PolarHBondContact O-N 2.95Å; E155-K157 VanDerWaalsContact O-N 3.14Å; E155-N192 PolarHBondContact OE1-ND2 3.41Å
156G91.3Very high95.6Very high75 Ų7574 Ų7477%0.77337%0.372SS*.THydrogen-bonded Turntrans73.5-3179.300000115.9I154I154-G156 PolarHBondContact O-N 3.04Å; I154-G156 VanDerWaalsContact O-N 3.12Å
157K93.2Very high95.6Very high138 Ų13874 Ų7460%0.637%0.372SS*.EExtended strand (participates in β ladder)trans-122.2140.2-177.4-64.4-176.8-174.4179.90111.4R153 I154 E155 R186R153-K157 WeakPolarHBondContact CA-O 3.42Å; I154-K157 PolarHBondContact N-O 3.01Å; I154-K157 PolarHBondContact O-N 3.22Å; E155-K157 PolarHBondContact O-N 2.95Å; E155-K157 VanDerWaalsContact O-N 3.14Å; K157-R186 PolarHBondContact O-NH1 3.24Å
158K95.3Very high95.7Very high128 Ų12873.8 Ų73.856%0.55737%0.372SS*.EExtended strand (participates in β ladder)trans-69.5137.9172.4-163.1176.8176.5-176.50109.8K150 G151 I152 R153 R186K150-K158 WeakPolarHBondContact O-CE 3.31Å; K150-K158 PolarHBondContact O-NZ 2.74Å; G151-K158 WeakPolarHBondContact O-CE 3.46Å; I152-K158 CarbonylContact O-C 3.53Å; I152-K158 WeakPolarHBondContact O-CA 3.26Å; R153-K158 HydrophobicContact CG-CB 4.47Å; K158-R186 PolarHBondContact O-NH1 3.33Å; K158-R186 VanDerWaalsContact O-NH1 3.11Å; K158-R186 PolarHBondContact O-NH2 2.74Å; K158-R186 VanDerWaalsContact O-NH2 3.1Å
159T96.4Very high95.6Very high6 Ų675.8 Ų75.84%0.03739%0.389CS..PPolyproline II helixtrans-80.3159.717066.50000110.6G151 I152 I154 E184 M193G151-T159 WeakPolarHBondContact CA-O 3.33Å; G151-T159 WeakPolarHBondContact CA-OG1 3.43Å; I152-T159 HydrophobicContact CG2-CG2 4.46Å; I152-T159 PolarHBondContact N-OG1 3.1Å; I152-T159 VanDerWaalsContact N-OG1 3.11Å; I152-T159 PolarHBondContact O-N 3.18Å; I152-T159 PolarHBondContact O-OG1 3.04Å; I154-T159 HydrophobicContact CD1-CG2 3.51Å; I154-T159 HydrophobicContact CG1-CG2 3.65Å; T159-E184 WeakPolarHBondContact CA-OE1 3.33Å; T159-E184 VanDerWaalsContact CB-OE1 3.3Å; T159-E184 WeakPolarHBondContact CB-OE1 3.44Å; T159-M193 HydrophobicContact CG2-CG 4.07Å; T159-M193 HydrophobicContact CG2-SD 3.99Å
160A95.2Very high95.4Very high24 Ų2477 Ų7720%0.19839%0.393CS..PPolyproline II helixtrans-63157.5161.300000110.8A162 H183 E184A160-A162 PolarHBondContact O-N 2.57Å; A160-H183 WeakPolarHBondContact CB-CE1 3.12Å; A160-H183 WeakPolarHBondContact CB-NE2 3.18Å; A160-E184 HydrophobicContact CB-CG 4.35Å; A160-E184 PolarHBondContact N-OE1 2.72Å
161P96.5Very high95.2Very high81 Ų8177.1 Ų77.153%0.52639%0.393SS..PPolyproline II helixtrans-50.2132.8167.2-31.740.1000112.5T149T149-P161 WeakPolarHBondContact O-CB 3.31Å
162A97.5Very high95.1Very high4 Ų486.1 Ų86.13%0.03343%0.429CS..  trans-107.915617100000111.3L148 T149 A160 L180 T181 I182 M193L148-A162 HydrophobicContact CB-CB 4.48Å; L148-A162 PolarHBondContact O-N 2.91Å; T149-A162 VanDerWaalsContact CA-O 3.29Å; T149-A162 WeakPolarHBondContact CA-O 3.44Å; A160-A162 PolarHBondContact O-N 2.57Å; A162-L180 HydrophobicContact CB-CD1 3.89Å; A162-L180 HydrophobicContact CB-CG 4.3Å; A162-T181 WeakPolarHBondContact CA-O 3.36Å; A162-T181 WeakPolarHBondContact CB-O 3.47Å; A162-I182 HydrophobicContact CB-CG2 3.93Å; A162-M193 HydrophobicContact CB-CE 3.71Å
163R97.7Very high95.1Very high156 Ų15687 Ų8759%0.58944%0.441SS*.EExtended strand (participates in β ladder)trans-104.2144.1167.3-58.7-177-72155.9-5.7108.7D129 L180 T181D129-R163 IonicContact OD2-CZ 2.68Å; D129-R163 IonicContact OD2-NH2 2.77Å; D129-R163 PolarHBondContact OD2-NH2 3.39Å; R163-L180 WeakPolarHBondContact O-CA 3.3Å; R163-T181 PolarHBondContact N-O 3.04Å; R163-T181 VanDerWaalsContact N-O 3.09Å; R163-T181 PolarHBondContact O-N 2.85Å
164F98.2Very high95.1Very high47 Ų4783.7 Ų83.721%0.20644%0.435CS..EExtended strand (participates in β ladder)trans-134.115517872.5-97.5000111.7K142 L145 T149 V178 E179 L180K142-F164 HydrophobicContact CG-CE2 4.28Å; K142-F164 HydrophobicContact CG-CZ 3.98Å; L145-F164 HydrophobicContact CB-CD1 3.78Å; L145-F164 HydrophobicContact CB-CD2 3.9Å; L145-F164 HydrophobicContact CB-CE1 3.58Å; L145-F164 HydrophobicContact CB-CE2 3.72Å; L145-F164 HydrophobicContact CB-CG 3.93Å; L145-F164 HydrophobicContact CB-CZ 3.55Å; L145-F164 HydrophobicContact CD1-CD2 3.57Å; L145-F164 HydrophobicContact CD1-CE2 3.81Å; L145-F164 HydrophobicContact CD1-CG 4.12Å; L145-F164 HydrophobicContact CG-CD2 4.35Å; L145-F164 HydrophobicContact CG-CE2 4.43Å; T149-F164 HydrophobicContact CG2-CD1 3.68Å; T149-F164 HydrophobicContact CG2-CE1 3.54Å; F164-V178 HydrophobicContact CB-CG1 4.48Å; F164-E179 CarbonylContact C-O 3.32Å; F164-E179 WeakPolarHBondContact CA-O 3.29Å; F164-L180 HydrophobicContact CB-CD1 3.99Å
165E98.1Very high95.3Very high111 Ų11184.4 Ų84.452%0.51944%0.44SS..EExtended strand (participates in β ladder)trans-137.9139.1167.6-170.2174.916600108.9L167 V178 E179E165-L167 HydrophobicContact CB-CD2 4.38Å; E165-L167 HydrophobicContact CG-CD2 4.04Å; E165-V178 CarbonylContact O-C 3.4Å; E165-V178 WeakPolarHBondContact O-CA 3.5Å; E165-E179 HydrophobicContact CB-CB 4.25Å; E165-E179 PolarHBondContact N-O 3Å; E165-E179 PolarHBondContact O-N 3.35Å
166I98Very high95.8Very high55 Ų5578.7 Ų78.728%0.28241%0.413SS..EExtended strand (participates in β ladder)trans-94104.7173.9-59.4165.8000106.2A140 L145 A169A140-I166 HydrophobicContact CB-CD1 4.3Å; A140-I166 HydrophobicContact CB-CG1 4.25Å; A140-I166 HydrophobicContact CB-CG2 4.31Å; A140-I166 WeakPolarHBondContact O-CD1 3.38Å; L145-I166 HydrophobicContact CD1-CD1 4.02Å; L145-I166 HydrophobicContact CD1-CG1 3.74Å; I166-A169 HydrophobicContact CG2-CB 4.23Å
167L97.9Very high96.2Very high79 Ų7978 Ų7841%0.41439%0.391SS..EExtended strand (participates in β ladder)trans-77.5-34.2-177.5-58.1-176.8000111.5V133 E165 I177 E179V133-L167 HydrophobicContact CG1-CD1 4.18Å; V133-L167 HydrophobicContact CG2-CD1 4.07Å; E165-L167 HydrophobicContact CB-CD2 4.38Å; E165-L167 HydrophobicContact CG-CD2 4.04Å; L167-I177 HydrophobicContact CB-CB 4.27Å; L167-I177 HydrophobicContact CB-CG2 4.04Å; L167-I177 HydrophobicContact CD1-CG2 3.97Å; L167-I177 HydrophobicContact CG-CG2 4.42Å; L167-I177 PolarHBondContact N-O 3Å; L167-E179 HydrophobicContact CD1-CB 4.16Å; L167-E179 HydrophobicContact CD2-CB 4.33Å; L167-E179 HydrophobicContact CG-CB 4.19Å
168S97.3Very high96.4Very high56 Ų5671.4 Ų71.439%0.39236%0.362SS..EExtended strand (participates in β ladder)trans-160.1154.2171.565.70000111S176 I177S168-S176 CarbonylContact O-C 3.51Å; S168-S176 WeakPolarHBondContact O-CA 3.5Å; S168-S176 WeakPolarHBondContact O-CB 3.28Å; S168-I177 PolarHBondContact N-O 3.39Å; S168-I177 PolarHBondContact O-N 3.21Å; S168-I177 WeakPolarHBondContact OG-CB 3.41Å; S168-I177 WeakPolarHBondContact OG-CD1 3.29Å; S168-I177 WeakPolarHBondContact OG-CG1 3.45Å
169A96.1Very high96.6Very high42 Ų4266.8 Ų66.835%0.34734%0.343SS..EExtended strand (participates in β ladder)trans-142.3120.7174.300000109.3Y139 I166Y139-A169 HydrophobicContact CD2-CB 3.82Å; Y139-A169 HydrophobicContact CE2-CB 3.52Å; I166-A169 HydrophobicContact CG2-CB 4.23Å
170D93.7Very high96.7Very high79 Ų7966.5 Ų66.542%0.42234%0.341SS..EExtended strand (participates in β ladder)trans-109.9104.8177.1-175.2-19.2000108.9K172 A173 E174 T175D170-K172 VanDerWaalsContact C-N 3.33Å; D170-K172 WeakPolarHBondContact OD1-CA 3.44Å; D170-K172 WeakPolarHBondContact OD1-CB 3.28Å; D170-K172 PolarHBondContact OD1-N 3.33Å; D170-A173 HydrophobicContact CB-CB 4.07Å; D170-A173 VanDerWaalsContact CG-CB 3.48Å; D170-A173 PolarHBondContact OD1-N 2.93Å; D170-A173 WeakPolarHBondContact OD2-CB 3.06Å; D170-E174 PolarHBondContact O-N 2.99Å; D170-E174 VanDerWaalsContact O-N 3.08Å; D170-T175 PolarHBondContact N-O 3.29Å; D170-T175 PolarHBondContact O-N 2.86Å; D170-T175 VanDerWaalsContact O-N 3.13Å
171K91.7Very high96.8Very high162 Ų16265.8 Ų65.870%0.70433%0.334SS*.THydrogen-bonded Turntrans-67.9-32.7179.7-169.9176.1-178.1178.70112.2Y139Y139-K171 HydrophobicContact CD2-CB 4.06Å; Y139-K171 HydrophobicContact CD2-CG 4.5Å; Y139-K171 HydrophobicContact CE2-CB 4.2Å
172K93.4Very high96.8Very high201 Ų20162.2 Ų62.287%0.87431%0.31SS*.THydrogen-bonded Turntrans-74.3-40.9-178.6-177.5179.5177.8-179.20111D170 E174D170-K172 VanDerWaalsContact C-N 3.33Å; D170-K172 WeakPolarHBondContact OD1-CA 3.44Å; D170-K172 WeakPolarHBondContact OD1-CB 3.28Å; D170-K172 PolarHBondContact OD1-N 3.33Å; K172-E174 VanDerWaalsContact C-N 3.28Å
173A94.4Very high96.6Very high51 Ų5164 Ų6442%0.42132%0.318SS..THydrogen-bonded Turntrans-81.4-6.817700000113.5D170 T175D170-A173 HydrophobicContact CB-CB 4.07Å; D170-A173 VanDerWaalsContact CG-CB 3.48Å; D170-A173 PolarHBondContact OD1-N 2.93Å; D170-A173 WeakPolarHBondContact OD2-CB 3.06Å; A173-T175 PolarHBondContact O-N 3.44Å
174E95.3Very high96.4Very high131 Ų13157.5 Ų57.561%0.61229%0.294SS*.THydrogen-bonded Turntrans49.246-171.1-59-169.9117.400112.2G138 D170 K172G138-E174 WeakPolarHBondContact CA-O 3.45Å; G138-E174 PolarHBondContact N-O 3.27Å; D170-E174 PolarHBondContact O-N 2.99Å; D170-E174 VanDerWaalsContact O-N 3.08Å; K172-E174 VanDerWaalsContact C-N 3.28Å
175T97.2Very high95.9Very high25 Ų2557.9 Ų57.915%0.15331%0.312CS..EExtended strand (participates in β ladder)trans-138.7151.9176.261.60000111.6V136 G138 D170 A173V136-T175 WeakPolarHBondContact O-CA 3.26Å; G138-T175 CarbonylContact O-C 3.41Å; G138-T175 WeakPolarHBondContact O-CA 3.4Å; D170-T175 PolarHBondContact N-O 3.29Å; D170-T175 PolarHBondContact O-N 2.86Å; D170-T175 VanDerWaalsContact O-N 3.13Å; A173-T175 PolarHBondContact O-N 3.44Å
176S98.3Very high95.5Very high1 Ų156.4 Ų56.41%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-138.3158176.7-53.20000110.9K135 V136 G138 Y139 A140 S168K135-S176 WeakPolarHBondContact CA-O 3.31Å; V136-S176 WeakPolarHBondContact CG2-O 3.34Å; V136-S176 PolarHBondContact N-O 2.93Å; V136-S176 PolarHBondContact O-N 3.24Å; V136-S176 VanDerWaalsContact O-N 3.13Å; G138-S176 PolarHBondContact O-N 2.89Å; G138-S176 PolarHBondContact O-OG 2.92Å; Y139-S176 WeakPolarHBondContact CA-OG 3.21Å; A140-S176 VanDerWaalsContact CB-CB 3.49Å; A140-S176 PolarHBondContact N-OG 3.1Å; S168-S176 CarbonylContact O-C 3.51Å; S168-S176 WeakPolarHBondContact O-CA 3.5Å; S168-S176 WeakPolarHBondContact O-CB 3.28Å
177I98.4Very high95.3Very high60 Ų6057.6 Ų57.631%0.30831%0.308SS..EExtended strand (participates in β ladder)trans-111.1120.5169.8-56.5-177.9000107.9V133 A134 L167 S168V133-I177 HydrophobicContact CG1-CG2 3.53Å; A134-I177 WeakPolarHBondContact O-CA 3.05Å; L167-I177 HydrophobicContact CB-CB 4.27Å; L167-I177 HydrophobicContact CB-CG2 4.04Å; L167-I177 HydrophobicContact CD1-CG2 3.97Å; L167-I177 HydrophobicContact CG-CG2 4.42Å; L167-I177 PolarHBondContact N-O 3Å; S168-I177 PolarHBondContact N-O 3.39Å; S168-I177 PolarHBondContact O-N 3.21Å; S168-I177 WeakPolarHBondContact OG-CB 3.41Å; S168-I177 WeakPolarHBondContact OG-CD1 3.29Å; S168-I177 WeakPolarHBondContact OG-CG1 3.45Å
178V98.4Very high95.1Very high0 Ų057.3 Ų57.30%031%0.305CS..EExtended strand (participates in β ladder)trans-120.9125.9-178-179.40000109A134 V136 A140 L145 F164 E165 L194A134-V178 PolarHBondContact N-O 3.17Å; A134-V178 PolarHBondContact O-N 3.48Å; V136-V178 HydrophobicContact CG2-CG2 4.14Å; A140-V178 HydrophobicContact CB-CG2 3.75Å; L145-V178 HydrophobicContact CD1-CG1 4.09Å; L145-V178 HydrophobicContact CD1-CG2 4.31Å; L145-V178 HydrophobicContact CD2-CG1 4.39Å; F164-V178 HydrophobicContact CB-CG1 4.48Å; E165-V178 CarbonylContact O-C 3.4Å; E165-V178 WeakPolarHBondContact O-CA 3.5Å; V178-L194 HydrophobicContact CG1-CD2 4.35Å
179E98.7Very high95Very high32 Ų3255 Ų5515%0.1529%0.288CS..EExtended strand (participates in β ladder)trans-84.1132.6164-174.7172.6112.200109V131 Y132 V133 F164 E165 L167 R208V131-E179 HydrophobicContact CG1-CG 3.36Å; V131-E179 VanDerWaalsContact CG1-OE1 3.29Å; V131-E179 WeakPolarHBondContact CG1-OE1 3.41Å; V131-E179 WeakPolarHBondContact CG1-OE2 3.34Å; Y132-E179 CarbonylContact O-C 3.53Å; Y132-E179 VanDerWaalsContact O-CA 3.26Å; Y132-E179 WeakPolarHBondContact O-CA 3.5Å; V133-E179 HydrophobicContact CG2-CB 4.45Å; V133-E179 HydrophobicContact CG2-CG 4.42Å; F164-E179 CarbonylContact C-O 3.32Å; F164-E179 WeakPolarHBondContact CA-O 3.29Å; E165-E179 HydrophobicContact CB-CB 4.25Å; E165-E179 PolarHBondContact N-O 3Å; E165-E179 PolarHBondContact O-N 3.35Å; L167-E179 HydrophobicContact CD1-CB 4.16Å; L167-E179 HydrophobicContact CD2-CB 4.33Å; L167-E179 HydrophobicContact CG-CB 4.19Å; E179-R208 IonicContact OE1-NH2 2.69Å; E179-R208 PolarHBondContact OE1-NH2 2.98Å; E179-R208 VanDerWaalsContact OE1-NH2 3.16Å; E179-R208 IonicContact OE2-NH2 3.83Å
180L98.3Very high95.1Very high0 Ų053.2 Ų53.20%027%0.273CS..EExtended strand (participates in β ladder)trans-129.6123.1176-16675.5000109.8Y132 L148 A162 R163 F164 I182 V190 M193Y132-L180 PolarHBondContact N-O 3.04Å; Y132-L180 PolarHBondContact O-N 3.3Å; L148-L180 HydrophobicContact CD1-CD1 3.91Å; A162-L180 HydrophobicContact CB-CD1 3.89Å; A162-L180 HydrophobicContact CB-CG 4.3Å; R163-L180 WeakPolarHBondContact O-CA 3.3Å; F164-L180 HydrophobicContact CB-CD1 3.99Å; L180-I182 HydrophobicContact CD2-CG2 4.13Å; L180-I182 HydrophobicContact CG-CG2 4.25Å; L180-V190 HydrophobicContact CD2-CB 4.42Å; L180-V190 HydrophobicContact CD2-CG1 3.86Å; L180-V190 HydrophobicContact CD2-CG2 4.3Å; L180-M193 HydrophobicContact CD2-CE 4.4Å; L180-M193 HydrophobicContact CD2-SD 4.44Å
181T98Very high95.3Very high9 Ų951.1 Ų51.16%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-102.5124.1173.4-56.10000110.1D129 K130 V131 A162 R163D129-T181 HydrophobicContact CB-CG2 3.85Å; K130-T181 WeakPolarHBondContact O-CA 3.13Å; V131-T181 HydrophobicContact CG2-CG2 4.1Å; A162-T181 WeakPolarHBondContact CA-O 3.36Å; A162-T181 WeakPolarHBondContact CB-O 3.47Å; R163-T181 PolarHBondContact N-O 3.04Å; R163-T181 VanDerWaalsContact N-O 3.09Å; R163-T181 PolarHBondContact O-N 2.85Å
182I96.7Very high95.6Very high6 Ų645.6 Ų45.63%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-131.4153.317562.3172.5000110.1K130 Y132 A162 L180 E184 Q189 V190 M193K130-I182 HydrophobicContact CB-CG1 4.4Å; K130-I182 WeakPolarHBondContact CB-O 3.41Å; K130-I182 PolarHBondContact N-O 2.9Å; K130-I182 PolarHBondContact O-N 2.77Å; Y132-I182 HydrophobicContact CD2-CD1 4.47Å; Y132-I182 HydrophobicContact CD2-CG1 4.24Å; Y132-I182 HydrophobicContact CE2-CD1 3.95Å; Y132-I182 HydrophobicContact CE2-CG1 3.91Å; A162-I182 HydrophobicContact CB-CG2 3.93Å; L180-I182 HydrophobicContact CD2-CG2 4.13Å; L180-I182 HydrophobicContact CG-CG2 4.25Å; I182-E184 WeakPolarHBondContact CD1-O 3.21Å; I182-Q189 HydrophobicContact CD1-CG 4.22Å; I182-V190 HydrophobicContact CD1-CG2 3.64Å; I182-V190 HydrophobicContact CG1-CG2 4.46Å; I182-M193 HydrophobicContact CG2-SD 4.3Å
183H93.6Very high95.8Very high41 Ų4136 Ų3619%0.1920%0.196CC..SBendtrans-113-12.6177.66569.7000113.8Q127 K130 A160Q127-H183 HydrophobicContact CB-CB 4.14Å; K130-H183 PolarHBondContact NZ-O 3.31Å; A160-H183 WeakPolarHBondContact CB-CE1 3.12Å; A160-H183 WeakPolarHBondContact CB-NE2 3.18Å
184E91.8Very high95.9Very high19 Ų1933.6 Ų33.69%0.08918%0.176CC..  trans-94.7179.2165.356.7169.3174.600111.5P124 T159 A160 I182 R186 Q189P124-E184 HydrophobicContact CB-CB 4.22Å; T159-E184 WeakPolarHBondContact CA-OE1 3.33Å; T159-E184 VanDerWaalsContact CB-OE1 3.3Å; T159-E184 WeakPolarHBondContact CB-OE1 3.44Å; A160-E184 HydrophobicContact CB-CG 4.35Å; A160-E184 PolarHBondContact N-OE1 2.72Å; I182-E184 WeakPolarHBondContact CD1-O 3.21Å; E184-R186 IonicContact OE2-CZ 3.62Å; E184-R186 IonicContact OE2-NE 3.97Å; E184-R186 PolarHBondContact OE2-NE 2.99Å; E184-R186 IonicContact OE2-NH2 2.82Å; E184-Q189 VanDerWaalsContact CD-NE2 3.3Å; E184-Q189 VanDerWaalsContact CG-NE2 3.35Å; E184-Q189 PolarHBondContact OE1-NE2 2.98Å
185G88Confident96Very high56 Ų5629.7 Ų29.758%0.57717%0.167SC*.  trans-156.761.5-174.100000113.5
186R91.4Very high96Very high79 Ų7931.2 Ų31.230%0.29818%0.182SC..  trans-70.2162.8173.6-60.7177.9178.4168.34.9111.3K157 K158 E184 H188 Q189K157-R186 PolarHBondContact O-NH1 3.24Å; K158-R186 PolarHBondContact O-NH1 3.33Å; K158-R186 VanDerWaalsContact O-NH1 3.11Å; K158-R186 PolarHBondContact O-NH2 2.74Å; K158-R186 VanDerWaalsContact O-NH2 3.1Å; E184-R186 IonicContact OE2-CZ 3.62Å; E184-R186 IonicContact OE2-NE 3.97Å; E184-R186 PolarHBondContact OE2-NE 2.99Å; E184-R186 IonicContact OE2-NH2 2.82Å; R186-H188 PolarHBondContact O-N 3.24Å; R186-Q189 HydrophobicContact CB-CB 4.1Å; R186-Q189 WeakPolarHBondContact O-CB 3.25Å; R186-Q189 PolarHBondContact O-N 3.39Å
187N92.2Very high95.9Very high80 Ų8032.4 Ų32.443%0.42819%0.189SC..THydrogen-bonded Turntrans-57.1129177.4-177.2-114000109.9Q189N187-Q189 PolarHBondContact O-N 3.13Å
188H94.1Very high95.8Very high74 Ų7432.3 Ų32.334%0.34320%0.202SC..THydrogen-bonded Turntrans52.222.8179.3-60.8178.4000115.2D102 R186 V190 K191 N192D102-H188 IonicContact OD1-CD2 3.19Å; D102-H188 PolarHBondContact OD1-CD2 2.81Å; D102-H188 IonicContact OD1-NE2 3.62Å; D102-H188 IonicContact OD2-CD2 3.06Å; D102-H188 PolarHBondContact OD2-CD2 3.46Å; D102-H188 IonicContact OD2-CG 3.87Å; D102-H188 IonicContact OD2-NE2 3.7Å; R186-H188 PolarHBondContact O-N 3.24Å; H188-V190 PolarHBondContact O-N 3.32Å; H188-K191 WeakPolarHBondContact O-CB 3.2Å; H188-K191 PolarHBondContact O-N 2.92Å; H188-N192 PolarHBondContact O-N 2.67Å
189Q96.3Very high95.7Very high6 Ų632.6 Ų32.63%0.02820%0.204CC..Hα-helixtrans-53.1-52.1-168.4176.4160.3-200113.8I154 I182 E184 R186 N187 K191 N192 M193I154-Q189 HydrophobicContact CD1-CB 4.41Å; I154-Q189 HydrophobicContact CD1-CG 3.93Å; I182-Q189 HydrophobicContact CD1-CG 4.22Å; E184-Q189 VanDerWaalsContact CD-NE2 3.3Å; E184-Q189 VanDerWaalsContact CG-NE2 3.35Å; E184-Q189 PolarHBondContact OE1-NE2 2.98Å; R186-Q189 HydrophobicContact CB-CB 4.1Å; R186-Q189 WeakPolarHBondContact O-CB 3.25Å; R186-Q189 PolarHBondContact O-N 3.39Å; N187-Q189 PolarHBondContact O-N 3.13Å; Q189-K191 VanDerWaalsContact C-N 3.31Å; Q189-K191 PolarHBondContact O-N 3.29Å; Q189-N192 PolarHBondContact O-N 3.1Å; Q189-M193 HydrophobicContact CG-CG 4.24Å; Q189-M193 HydrophobicContact CG-SD 3.68Å; Q189-M193 WeakPolarHBondContact O-CB 3.47Å; Q189-M193 VanDerWaalsContact O-CG 3.22Å; Q189-M193 WeakPolarHBondContact O-CG 3.16Å; Q189-M193 PolarHBondContact O-N 2.6Å
190V97.2Very high95.7Very high6 Ų633.9 Ų33.94%0.03622%0.215CC..Hα-helixtrans-61.7-40.9-178.4177.60000111.4Y132 L180 I182 H188 M193 L194 L204Y132-V190 HydrophobicContact CD1-CG2 4.25Å; Y132-V190 HydrophobicContact CD2-CG2 3.74Å; Y132-V190 HydrophobicContact CE1-CG2 4.44Å; Y132-V190 HydrophobicContact CE2-CG2 3.97Å; Y132-V190 HydrophobicContact CG-CG2 3.88Å; L180-V190 HydrophobicContact CD2-CB 4.42Å; L180-V190 HydrophobicContact CD2-CG1 3.86Å; L180-V190 HydrophobicContact CD2-CG2 4.3Å; I182-V190 HydrophobicContact CD1-CG2 3.64Å; I182-V190 HydrophobicContact CG1-CG2 4.46Å; H188-V190 PolarHBondContact O-N 3.32Å; V190-M193 PolarHBondContact O-N 3.32Å; V190-L194 HydrophobicContact CG1-CD1 3.84Å; V190-L194 WeakPolarHBondContact O-CB 3.36Å; V190-L194 WeakPolarHBondContact O-CG 3.43Å; V190-L194 PolarHBondContact O-N 3.18Å; V190-L204 HydrophobicContact CB-CD1 4.43Å; V190-L204 HydrophobicContact CB-CD2 4.14Å; V190-L204 HydrophobicContact CG1-CD1 3.7Å; V190-L204 HydrophobicContact CG1-CD2 4.27Å
191K97.7Very high95.7Very high35 Ų3535.6 Ų35.615%0.15223%0.225CC..Hα-helixtrans-64.1-46.8177.9-59.8-179.3-175.2172.60110.9D102 D104 H188 Q189 L194 A195 V201 L204D102-K191 WeakPolarHBondContact OD2-CE 3.32Å; D102-K191 IonicContact OD2-NZ 3.16Å; D102-K191 PolarHBondContact OD2-NZ 2.63Å; D102-K191 VanDerWaalsContact OD2-NZ 3.16Å; D104-K191 IonicContact OD1-NZ 2.66Å; D104-K191 PolarHBondContact OD1-NZ 2.84Å; D104-K191 IonicContact OD2-NZ 2.83Å; D104-K191 PolarHBondContact OD2-NZ 2.85Å; H188-K191 WeakPolarHBondContact O-CB 3.2Å; H188-K191 PolarHBondContact O-N 2.92Å; Q189-K191 VanDerWaalsContact C-N 3.31Å; Q189-K191 PolarHBondContact O-N 3.29Å; K191-L194 PolarHBondContact O-N 2.71Å; K191-A195 WeakPolarHBondContact O-CB 3.47Å; K191-A195 PolarHBondContact O-N 2.98Å; K191-V201 HydrophobicContact CB-CG2 4.43Å; K191-V201 HydrophobicContact CG-CB 4.24Å; K191-V201 HydrophobicContact CG-CG2 4.33Å; K191-L204 HydrophobicContact CG-CD2 4.18Å
192N97.4Very high95.7Very high45 Ų4539.3 Ų39.324%0.24124%0.242CC..Hα-helixtrans-65.2-41179.8-68.7-13.2000111.7I154 E155 H188 Q189 A196I154-N192 HydrophobicContact CB-CB 4.18Å; I154-N192 HydrophobicContact CD1-CB 4.07Å; I154-N192 HydrophobicContact CG2-CB 4.05Å; E155-N192 PolarHBondContact OE1-ND2 3.41Å; H188-N192 PolarHBondContact O-N 2.67Å; Q189-N192 PolarHBondContact O-N 3.1Å; N192-A196 VanDerWaalsContact O-CB 3.29Å; N192-A196 WeakPolarHBondContact O-CB 3.3Å; N192-A196 PolarHBondContact O-N 2.91Å
193M97.8Very high95.7Very high0 Ų044.9 Ų44.90%027%0.266CS..Hα-helixtrans-62.2-49.5176.6-74.6178.670.700111.9L148 I152 I154 T159 A162 L180 I182 Q189 V190 A196L148-M193 HydrophobicContact CB-CE 4.23Å; L148-M193 HydrophobicContact CD2-CB 4.02Å; L148-M193 HydrophobicContact CD2-CE 3.96Å; I152-M193 HydrophobicContact CG2-CG 4.09Å; I154-M193 HydrophobicContact CD1-CG 4.06Å; I154-M193 HydrophobicContact CG2-CG 4.42Å; T159-M193 HydrophobicContact CG2-CG 4.07Å; T159-M193 HydrophobicContact CG2-SD 3.99Å; A162-M193 HydrophobicContact CB-CE 3.71Å; L180-M193 HydrophobicContact CD2-CE 4.4Å; L180-M193 HydrophobicContact CD2-SD 4.44Å; I182-M193 HydrophobicContact CG2-SD 4.3Å; Q189-M193 HydrophobicContact CG-CG 4.24Å; Q189-M193 HydrophobicContact CG-SD 3.68Å; Q189-M193 WeakPolarHBondContact O-CB 3.47Å; Q189-M193 VanDerWaalsContact O-CG 3.22Å; Q189-M193 WeakPolarHBondContact O-CG 3.16Å; Q189-M193 PolarHBondContact O-N 2.6Å; V190-M193 PolarHBondContact O-N 3.32Å; M193-A196 PolarHBondContact O-N 3.04Å
194L97.9Very high96Very high0 Ų043.5 Ų43.50%026%0.26CS..Hα-helixtrans-69.7-37.4-179.5-70.6169.7000111.8A134 V136 L145 L148 V178 V190 K191 A196 V197 G198 L199 V201A134-L194 HydrophobicContact CB-CD1 3.64Å; V136-L194 HydrophobicContact CG1-CD1 3.98Å; L145-L194 HydrophobicContact CD2-CD2 3.9Å; L148-L194 HydrophobicContact CD1-CD2 4.14Å; V178-L194 HydrophobicContact CG1-CD2 4.35Å; V190-L194 HydrophobicContact CG1-CD1 3.84Å; V190-L194 WeakPolarHBondContact O-CB 3.36Å; V190-L194 WeakPolarHBondContact O-CG 3.43Å; V190-L194 PolarHBondContact O-N 3.18Å; K191-L194 PolarHBondContact O-N 2.71Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.43Å; L194-V197 WeakPolarHBondContact O-CG2 3.06Å; L194-V197 PolarHBondContact O-N 2.91Å; L194-G198 PolarHBondContact O-N 2.85Å; L194-L199 CarbonylContact C-O 3.5Å; L194-L199 VanDerWaalsContact CB-O 3.31Å; L194-L199 WeakPolarHBondContact CB-O 3.5Å; L194-L199 CarbonylContact O-C 3.47Å; L194-L199 WeakPolarHBondContact O-CA 3.34Å; L194-L199 PolarHBondContact O-N 2.86Å; L194-V201 HydrophobicContact CB-CG2 3.91Å; L194-V201 HydrophobicContact CD1-CG2 3.53Å; L194-V201 HydrophobicContact CG-CG2 4.35Å
195A97.3Very high96.3Very high50 Ų5044.8 Ų44.841%0.41327%0.265SS..Hα-helixtrans-61.9-40.117300000112.4K191 V197 G198K191-A195 WeakPolarHBondContact O-CB 3.47Å; K191-A195 PolarHBondContact O-N 2.98Å; A195-V197 PolarHBondContact O-N 3.19Å; A195-G198 PolarHBondContact O-N 3.14Å
196A96.1Very high96.8Very high57 Ų5742.4 Ų42.447%0.47124%0.239SC..Hα-helixtrans-65.1-18.3179.600000114I152 N192 M193 L194I152-A196 HydrophobicContact CD1-CB 3.68Å; N192-A196 VanDerWaalsContact O-CB 3.29Å; N192-A196 WeakPolarHBondContact O-CB 3.3Å; N192-A196 PolarHBondContact O-N 2.91Å; M193-A196 PolarHBondContact O-N 3.04Å; L194-A196 VanDerWaalsContact C-N 3.34Å; L194-A196 PolarHBondContact O-N 3.43Å
197V96.4Very high97.1Very high26 Ų2641 Ų4116%0.15824%0.236CC..THydrogen-bonded Turntrans-104.716.5173.2-60.80000112.9A144 L145 P147 L148 I152 L194 A195 L199A144-V197 WeakPolarHBondContact O-CB 3.12Å; A144-V197 WeakPolarHBondContact O-CG1 3.36Å; L145-V197 HydrophobicContact CD2-CG2 4.16Å; P147-V197 HydrophobicContact CB-CG1 4.48Å; L148-V197 HydrophobicContact CD1-CG2 4.39Å; L148-V197 HydrophobicContact CD2-CG1 3.83Å; L148-V197 HydrophobicContact CG-CG1 4.17Å; I152-V197 HydrophobicContact CD1-CG1 4.13Å; L194-V197 WeakPolarHBondContact O-CG2 3.06Å; L194-V197 PolarHBondContact O-N 2.91Å; A195-V197 PolarHBondContact O-N 3.19Å; V197-L199 HydrophobicContact CG2-CB 4.49Å; V197-L199 HydrophobicContact CG2-CD1 4.32Å
198G96.3Very high97.3Very high57 Ų5742 Ų4259%0.58823%0.234SC*.THydrogen-bonded Turntrans81.914.8175.400000115.2L194 A195 P200L194-G198 PolarHBondContact O-N 2.85Å; A195-G198 PolarHBondContact O-N 3.14Å; G198-P200 VanDerWaalsContact C-CD 3.42Å; G198-P200 VanDerWaalsContact O-CD 3.29Å; G198-P200 WeakPolarHBondContact O-CD 3.44Å
199L97.4Very high97.4Very high6 Ų638.7 Ų38.73%0.03122%0.218CC..  trans-119.666-176.5-65.3172.6000111.5V136 A140 L145 L194 V197 V201V136-L199 HydrophobicContact CB-CB 3.99Å; V136-L199 HydrophobicContact CG1-CB 4.22Å; V136-L199 WeakPolarHBondContact CG1-O 3.39Å; V136-L199 HydrophobicContact CG2-CB 4.08Å; V136-L199 HydrophobicContact CG2-CD2 4.09Å; V136-L199 HydrophobicContact CG2-CG 4.48Å; A140-L199 HydrophobicContact CB-CD1 3.97Å; A140-L199 HydrophobicContact CB-CD2 4.48Å; L145-L199 HydrophobicContact CD2-CD1 3.78Å; L145-L199 HydrophobicContact CG-CD1 4.17Å; L194-L199 CarbonylContact C-O 3.5Å; L194-L199 VanDerWaalsContact CB-O 3.31Å; L194-L199 WeakPolarHBondContact CB-O 3.5Å; L194-L199 CarbonylContact O-C 3.47Å; L194-L199 WeakPolarHBondContact O-CA 3.34Å; L194-L199 PolarHBondContact O-N 2.86Å; V197-L199 HydrophobicContact CG2-CB 4.49Å; V197-L199 HydrophobicContact CG2-CD1 4.32Å; L199-V201 PolarHBondContact O-N 3.18Å
200P97.7Very high97.4Very high60 Ų6038.9 Ų38.939%0.3922%0.222SC..  trans-60.6135.8-177.123.7-31.1000111.9V136 K137 G198V136-P200 WeakPolarHBondContact CA-O 3.3Å; K137-P200 HydrophobicContact CB-CG 4.18Å; K137-P200 PolarHBondContact N-O 2.84Å; G198-P200 VanDerWaalsContact C-CD 3.42Å; G198-P200 VanDerWaalsContact O-CD 3.29Å; G198-P200 WeakPolarHBondContact O-CD 3.44Å
201V98.4Very high97.2Very high35 Ų3543.7 Ų43.721%0.21225%0.247CC..EExtended strand (participates in β ladder)trans-75.3127.4-173.8178.70000111.4A134 V136 K191 L194 L199 K203 L204A134-V201 HydrophobicContact CB-CG1 4.35Å; A134-V201 HydrophobicContact CB-CG2 4.34Å; V136-V201 HydrophobicContact CG1-CG2 4.23Å; K191-V201 HydrophobicContact CB-CG2 4.43Å; K191-V201 HydrophobicContact CG-CB 4.24Å; K191-V201 HydrophobicContact CG-CG2 4.33Å; L194-V201 HydrophobicContact CB-CG2 3.91Å; L194-V201 HydrophobicContact CD1-CG2 3.53Å; L194-V201 HydrophobicContact CG-CG2 4.35Å; L199-V201 PolarHBondContact O-N 3.18Å; V201-K203 WeakPolarHBondContact CG1-O 3.39Å; V201-L204 HydrophobicContact CG1-CB 3.93Å; V201-L204 HydrophobicContact CG1-CD1 4.43Å
202Q97.6Very high97.2Very high87 Ų8742.3 Ų42.341%0.40724%0.241SC..EExtended strand (participates in β ladder)trans-94.2-40172.9-63.2-177.2-32.700112.4K135 K137K135-Q202 PolarHBondContact O-N 3.33Å; K137-Q202 HydrophobicContact CB-CG 4.29Å
203K97.9Very high97.2Very high124 Ų12443 Ų4354%0.53925%0.247SC..EExtended strand (participates in β ladder)trans-141.6139.9176.2-64.9-175.5179.8179.60109A134 K135 V201A134-K203 CarbonylContact C-O 3.52Å; A134-K203 VanDerWaalsContact CA-O 3.32Å; A134-K203 WeakPolarHBondContact CA-O 3.4Å; K135-K203 HydrophobicContact CB-CB 4.13Å; K135-K203 PolarHBondContact N-O 3.26Å; K135-K203 PolarHBondContact O-N 3.23Å; V201-K203 WeakPolarHBondContact CG1-O 3.39Å
204L98.5Very high97.1Very high11 Ų1143.7 Ų43.76%0.05825%0.251CS..EExtended strand (participates in β ladder)trans-131.2132.1179.3-168.661.6000110.1T105 S106 Y132 A134 V190 K191 V201T105-L204 HydrophobicContact CG2-CB 4.09Å; T105-L204 HydrophobicContact CG2-CD2 3.99Å; T105-L204 HydrophobicContact CG2-CG 3.92Å; S106-L204 PolarHBondContact N-O 2.82Å; S106-L204 VanDerWaalsContact N-O 3.15Å; Y132-L204 HydrophobicContact CD1-CD1 4.02Å; Y132-L204 HydrophobicContact CD1-CD2 4.15Å; Y132-L204 HydrophobicContact CD1-CG 3.99Å; Y132-L204 HydrophobicContact CE1-CD2 4.49Å; Y132-L204 HydrophobicContact CG-CD1 4.4Å; A134-L204 HydrophobicContact CB-CD1 3.8Å; V190-L204 HydrophobicContact CB-CD1 4.43Å; V190-L204 HydrophobicContact CB-CD2 4.14Å; V190-L204 HydrophobicContact CG1-CD1 3.7Å; V190-L204 HydrophobicContact CG1-CD2 4.27Å; K191-L204 HydrophobicContact CG-CD2 4.18Å; V201-L204 HydrophobicContact CG1-CB 3.93Å; V201-L204 HydrophobicContact CG1-CD1 4.43Å
205K98.4Very high96.9Very high46 Ų4651.4 Ų51.420%0.229%0.287CS..EExtended strand (participates in β ladder)trans-133.2130174-178.8172.5166.2-148.80110Y66 S106 Y132 V133 E207Y66-K205 WeakPolarHBondContact OH-CE 3.39Å; Y66-K205 PolarHBondContact OH-NZ 3.33Å; S106-K205 CarbonylContact O-C 3.56Å; S106-K205 VanDerWaalsContact O-CA 3.27Å; S106-K205 WeakPolarHBondContact O-CA 3.46Å; Y132-K205 CarbonylContact C-O 3.58Å; Y132-K205 VanDerWaalsContact CA-O 3.26Å; Y132-K205 WeakPolarHBondContact CA-O 3.42Å; V133-K205 PolarHBondContact N-O 3.09Å; V133-K205 PolarHBondContact O-N 2.95Å; K205-E207 WeakPolarHBondContact CD-OE1 3.47Å; K205-E207 WeakPolarHBondContact CE-OE1 3.1Å; K205-E207 WeakPolarHBondContact CE-OE2 3.47Å; K205-E207 HydrophobicContact CG-CG 4.44Å; K205-E207 IonicContact NZ-OE1 2.69Å; K205-E207 PolarHBondContact NZ-OE1 3.31Å; K205-E207 IonicContact NZ-OE2 3.67Å; K205-E207 PolarHBondContact NZ-OE2 3.05Å; K205-E207 PolarHBondContact O-N 3.41Å
206R98.5Very high96.8Very high6 Ų652.4 Ų52.42%0.02330%0.302CS..EExtended strand (participates in β ladder)trans-84103.9167.7-174.7161.660.8-163.46.9109.1L101 S106 G107 I108 V131 Y132 R208L101-R206 HydrophobicContact CD1-CB 4.48Å; L101-R206 HydrophobicContact CD2-CB 4.12Å; S106-R206 PolarHBondContact O-N 3.03Å; G107-R206 CarbonylContact C-O 3.56Å; G107-R206 VanDerWaalsContact CA-O 3.26Å; G107-R206 WeakPolarHBondContact CA-O 3.38Å; I108-R206 PolarHBondContact N-O 3.42Å; I108-R206 PolarHBondContact O-NE 3.42Å; I108-R206 PolarHBondContact O-NH2 2.86Å; V131-R206 CarbonylContact O-C 3.56Å; V131-R206 WeakPolarHBondContact O-CA 3.4Å; Y132-R206 HydrophobicContact CD1-CB 3.83Å; Y132-R206 HydrophobicContact CD1-CG 4.35Å; Y132-R206 HydrophobicContact CE1-CB 3.66Å; Y132-R206 HydrophobicContact CE1-CG 4.08Å; Y132-R206 HydrophobicContact CE2-CG 4.45Å; Y132-R206 PolarHBondContact OH-NH1 3.22Å; Y132-R206 VanDerWaalsContact OH-NH1 3.16Å; R206-R208 WeakPolarHBondContact CG-O 3.4Å
207E97.4Very high96.9Very high50 Ų5050.8 Ų50.823%0.23429%0.286CS..EExtended strand (participates in β ladder)trans-81.9-32.5-177.3-69.3-68.317600112.8I108 V131 V133 K205I108-E207 WeakPolarHBondContact CD1-O 3.48Å; V131-E207 PolarHBondContact O-N 3.47Å; V133-E207 HydrophobicContact CB-CG 3.96Å; V133-E207 HydrophobicContact CG2-CB 4.45Å; V133-E207 HydrophobicContact CG2-CG 3.5Å; K205-E207 WeakPolarHBondContact CD-OE1 3.47Å; K205-E207 WeakPolarHBondContact CE-OE1 3.1Å; K205-E207 WeakPolarHBondContact CE-OE2 3.47Å; K205-E207 HydrophobicContact CG-CG 4.44Å; K205-E207 IonicContact NZ-OE1 2.69Å; K205-E207 PolarHBondContact NZ-OE1 3.31Å; K205-E207 IonicContact NZ-OE2 3.67Å; K205-E207 PolarHBondContact NZ-OE2 3.05Å; K205-E207 PolarHBondContact O-N 3.41Å
208R97.4Very high96.9Very high102 Ų10257.9 Ų57.939%0.38531%0.31SS..EExtended strand (participates in β ladder)trans-136.2149.8-179.2-55.5-177.9-79.1167.4-5.7113.1V131 E179 R206 L212 T213V131-R208 HydrophobicContact CB-CB 3.85Å; V131-R208 HydrophobicContact CB-CG 4.4Å; V131-R208 HydrophobicContact CG2-CB 3.94Å; V131-R208 PolarHBondContact N-O 3.14Å; V131-R208 PolarHBondContact O-N 3.44Å; E179-R208 IonicContact OE1-NH2 2.69Å; E179-R208 PolarHBondContact OE1-NH2 2.98Å; E179-R208 VanDerWaalsContact OE1-NH2 3.16Å; E179-R208 IonicContact OE2-NH2 3.83Å; R206-R208 WeakPolarHBondContact CG-O 3.4Å; R208-L212 VanDerWaalsContact CA-O 3.26Å; R208-L212 WeakPolarHBondContact CA-O 3.2Å; R208-L212 WeakPolarHBondContact CB-O 3.42Å; R208-T213 HydrophobicContact CG-CG2 4.29Å
209Y96.8Very high97Very high3 Ų358.9 Ų58.91%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-137.7107.6170.3-168-66.9000108.1I110 L121 I128 K130 D211 L212 L233I110-Y209 HydrophobicContact CD1-CD1 4.05Å; I110-Y209 HydrophobicContact CD1-CE1 4.22Å; I110-Y209 HydrophobicContact CD1-CG 4.45Å; L121-Y209 HydrophobicContact CB-CE1 4.3Å; L121-Y209 HydrophobicContact CD1-CE1 4.26Å; L121-Y209 PolarHBondContact O-OH 2.9Å; I128-Y209 HydrophobicContact CB-CE1 4.41Å; I128-Y209 HydrophobicContact CG2-CD1 3.95Å; I128-Y209 HydrophobicContact CG2-CE1 3.65Å; K130-Y209 HydrophobicContact CD-CE2 4.22Å; K130-Y209 HydrophobicContact CG-CD2 4Å; K130-Y209 HydrophobicContact CG-CE2 4.05Å; Y209-D211 PolarHBondContact O-N 2.91Å; Y209-L212 PolarHBondContact N-O 2.99Å; Y209-L212 VanDerWaalsContact O-CB 3.31Å; Y209-L212 WeakPolarHBondContact O-CB 3.29Å; Y209-L212 PolarHBondContact O-N 3.35Å; Y209-L233 HydrophobicContact CD1-CD2 4.09Å
210G94.6Very high97Very high11 Ų1159.4 Ų59.411%0.11331%0.313CS..THydrogen-bonded Turntrans52.7-129.6-161.600000109.7D129 L212 Q236D129-G210 PolarHBondContact O-N 3.14Å; G210-L212 VanDerWaalsContact C-N 3.33Å; G210-Q236 VanDerWaalsContact CA-OE1 3.25Å
211D93.8Very high97.1Very high107 Ų10759.5 Ų59.557%0.57231%0.308SS*.THydrogen-bonded Turntrans-85-2.2178-67.8-10.4000114.3Y209 T232 Q236Y209-D211 PolarHBondContact O-N 2.91Å; D211-T232 HydrophobicContact CB-CG2 4.04Å; D211-T232 WeakPolarHBondContact OD2-CG2 3.42Å; D211-Q236 PolarHBondContact OD1-NE2 3.33Å; D211-Q236 PolarHBondContact OD2-NE2 3.23Å
212L97.3Very high97.1Very high5 Ų561.4 Ų61.43%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-73.8138178.7-60.8175.5000111.3L64 I108 I110 R208 Y209 G210 L225 E229 L233L64-L212 HydrophobicContact CD1-CB 4.44Å; L64-L212 HydrophobicContact CD1-CD1 4.03Å; I108-L212 HydrophobicContact CD1-CB 4.23Å; I108-L212 WeakPolarHBondContact CD1-O 3.45Å; I110-L212 HydrophobicContact CD1-CD1 3.72Å; I110-L212 HydrophobicContact CG1-CD1 4.04Å; R208-L212 VanDerWaalsContact CA-O 3.26Å; R208-L212 WeakPolarHBondContact CA-O 3.2Å; R208-L212 WeakPolarHBondContact CB-O 3.42Å; Y209-L212 PolarHBondContact N-O 2.99Å; Y209-L212 VanDerWaalsContact O-CB 3.31Å; Y209-L212 WeakPolarHBondContact O-CB 3.29Å; Y209-L212 PolarHBondContact O-N 3.35Å; G210-L212 VanDerWaalsContact C-N 3.33Å; L212-L225 HydrophobicContact CD1-CD1 4.3Å; L212-L225 HydrophobicContact CD1-CD2 4.07Å; L212-L225 HydrophobicContact CD2-CD2 3.67Å; L212-E229 HydrophobicContact CD2-CB 3.97Å; L212-E229 HydrophobicContact CD2-CG 3.98Å; L212-L233 HydrophobicContact CD1-CD1 3.61Å; L212-L233 HydrophobicContact CD1-CD2 4.22Å; L212-L233 HydrophobicContact CD1-CG 4.38Å; L212-L233 HydrophobicContact CG-CD1 4.1Å; L212-L233 HydrophobicContact CG-CD2 4.24Å; L212-L233 HydrophobicContact CG-CG 4.44Å
213T97Very high97Very high59 Ų5960.6 Ų60.636%0.36231%0.305SS..EExtended strand (participates in β ladder)trans-125.7165.6174.773.90000110.9L64 R208 Q215L64-T213 WeakPolarHBondContact CD2-O 3.33Å; R208-T213 HydrophobicContact CG-CG2 4.29Å; T213-Q215 PolarHBondContact O-N 2.99Å; T213-Q215 WeakPolarHBondContact OG1-CB 3.4Å; T213-Q215 PolarHBondContact OG1-N 3.2Å
214L96.1Very high97Very high16 Ų1662 Ų628%0.08431%0.307CS..  trans-84.113.4175-67.6168000113.8Y66 I108 G216 L217Y66-L214 HydrophobicContact CD1-CB 4.47Å; Y66-L214 HydrophobicContact CD1-CD1 4.25Å; Y66-L214 HydrophobicContact CD1-CD2 3.94Å; Y66-L214 HydrophobicContact CD1-CG 4.45Å; Y66-L214 HydrophobicContact CD2-CD1 4.1Å; Y66-L214 HydrophobicContact CD2-CD2 4.03Å; Y66-L214 HydrophobicContact CE1-CD1 4.14Å; Y66-L214 HydrophobicContact CE2-CD1 3.98Å; Y66-L214 HydrophobicContact CG-CD1 4.26Å; Y66-L214 HydrophobicContact CG-CD2 3.62Å; Y66-L214 HydrophobicContact CG-CG 4.47Å; I108-L214 HydrophobicContact CB-CD2 4.4Å; I108-L214 HydrophobicContact CD1-CD2 4.35Å; I108-L214 HydrophobicContact CD1-CG 4.07Å; I108-L214 HydrophobicContact CG1-CD1 4.11Å; I108-L214 HydrophobicContact CG1-CD2 3.38Å; I108-L214 HydrophobicContact CG1-CG 3.42Å; I108-L214 VanDerWaalsContact CG1-CG 3.42Å; L214-G216 PolarHBondContact O-N 3.15Å; L214-L217 PolarHBondContact O-N 3.4Å
215Q94.5Very high97Very high161 Ų16161.9 Ų61.975%0.75231%0.306SS*.THydrogen-bonded Turntrans-56126.7-175.3-174.16227.600110.9T213 L217T213-Q215 PolarHBondContact O-N 2.99Å; T213-Q215 WeakPolarHBondContact OG1-CB 3.4Å; T213-Q215 PolarHBondContact OG1-N 3.2Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 2.89Å
216G95.1Very high96.9Very high71 Ų7163.6 Ų63.673%0.73232%0.317SS*.THydrogen-bonded Turntrans76.85178.900000115.7L214L214-G216 PolarHBondContact O-N 3.15Å
217L97.4Very high96.7Very high23 Ų2368.2 Ų68.212%0.1235%0.347CS..  trans-110.3139.1175.2-65.4175.2000111.5L64 Y66 L214 Q215 E221 R223L64-L217 HydrophobicContact CD2-CD1 4.01Å; L64-L217 HydrophobicContact CG-CD1 4.13Å; Y66-L217 HydrophobicContact CD1-CB 4.37Å; Y66-L217 WeakPolarHBondContact CD1-O 3.47Å; L214-L217 PolarHBondContact O-N 3.4Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 2.89Å; L217-E221 HydrophobicContact CD2-CB 3.93Å; L217-R223 HydrophobicContact CD1-CG 4.28Å; L217-R223 HydrophobicContact CD2-CB 4.38Å; L217-R223 HydrophobicContact CD2-CG 4.35Å
218R97.6Very high96.6Very high175 Ų17573.7 Ų73.766%0.6637%0.37SS*.  trans-96.9158.1166.9-62.1179.2-72.3-174.3-2.8110.4Y66 G220 E221Y66-R218 WeakPolarHBondContact CB-O 3.33Å; R218-G220 PolarHBondContact O-N 3.35Å; R218-E221 HydrophobicContact CB-CG 4.22Å; R218-E221 WeakPolarHBondContact CB-OE2 3.37Å; R218-E221 IonicContact CZ-OE1 2.74Å; R218-E221 PolarHBondContact N-OE2 3Å; R218-E221 IonicContact NE-OE1 3.38Å; R218-E221 PolarHBondContact NE-OE1 2.97Å; R218-E221 IonicContact NE-OE2 3.2Å; R218-E221 IonicContact NH2-OE1 2.67Å; R218-E221 PolarHBondContact NH2-OE1 3.49Å; R218-E221 WeakPolarHBondContact O-CB 3.47Å; R218-E221 PolarHBondContact O-N 2.99Å
219P98Very high96.5Very high79 Ų7970.6 Ų70.651%0.51336%0.359SS..THydrogen-bonded Turntrans-54.5127.2176.3-22.330.8000111.6Y66 P68Y66-P219 HydrophobicContact CD1-CG 4.21Å; Y66-P219 VanDerWaalsContact CD1-N 3.35Å; Y66-P219 HydrophobicContact CD2-CB 4.45Å; Y66-P219 HydrophobicContact CE1-CB 4.45Å; Y66-P219 HydrophobicContact CE1-CG 3.72Å; Y66-P219 HydrophobicContact CE2-CB 4.37Å; Y66-P219 HydrophobicContact CE2-CG 4.14Å; P68-P219 HydrophobicContact CB-CB 4.02Å
220G98Very high96.5Very high17 Ų1771.5 Ų71.518%0.17536%0.364CS..THydrogen-bonded Turntrans93.2-11.5-175.100000114.7Y66 Y87 R218Y66-G220 PolarHBondContact O-N 3.39Å; Y87-G220 VanDerWaalsContact CD1-O 3.29Å; Y87-G220 WeakPolarHBondContact CD1-O 3.05Å; R218-G220 PolarHBondContact O-N 3.35Å
221E98.1Very high96.4Very high61 Ų6174.9 Ų74.929%0.28538%0.38SS..  trans-85.7152.3173.1-64.4177.7164.200111.1F65 Y66 L217 R218F65-E221 WeakPolarHBondContact CD2-O 3.32Å; Y66-E221 PolarHBondContact N-O 3.15Å; L217-E221 HydrophobicContact CD2-CB 3.93Å; R218-E221 HydrophobicContact CB-CG 4.22Å; R218-E221 WeakPolarHBondContact CB-OE2 3.37Å; R218-E221 IonicContact CZ-OE1 2.74Å; R218-E221 PolarHBondContact N-OE2 3Å; R218-E221 IonicContact NE-OE1 3.38Å; R218-E221 PolarHBondContact NE-OE1 2.97Å; R218-E221 IonicContact NE-OE2 3.2Å; R218-E221 IonicContact NH2-OE1 2.67Å; R218-E221 PolarHBondContact NH2-OE1 3.49Å; R218-E221 WeakPolarHBondContact O-CB 3.47Å; R218-E221 PolarHBondContact O-N 2.99Å
222Y98.3Very high96.4Very high76 Ų7671.6 Ų71.630%0.29836%0.364SS..EExtended strand (participates in β ladder)trans-136.4162.1173.365.1-87.7000110.7Y63 L64 Y87 F88 V91Y63-Y222 AromaticContact CD1-CD2 3.74Å; Y63-Y222 HydrophobicContact CD1-CD2 3.74Å; Y63-Y222 HydrophobicContact CD1-CE2 4.11Å; Y63-Y222 HydrophobicContact CE1-CD2 4.24Å; Y63-Y222 HydrophobicContact CE1-CE2 4.14Å; Y63-Y222 HydrophobicContact CG-CD2 4.41Å; L64-Y222 CarbonylContact O-C 3.58Å; L64-Y222 WeakPolarHBondContact O-CA 3.42Å; L64-Y222 WeakPolarHBondContact O-CB 3.19Å; Y87-Y222 WeakPolarHBondContact O-CE1 3.1Å; F88-Y222 HydrophobicContact CD1-CD1 4.03Å; F88-Y222 AromaticContact CD1-CD2 3.86Å; F88-Y222 HydrophobicContact CD1-CD2 3.86Å; F88-Y222 HydrophobicContact CD1-CE1 4.07Å; F88-Y222 AromaticContact CD1-CE2 3.88Å; F88-Y222 HydrophobicContact CD1-CE2 3.88Å; F88-Y222 AromaticContact CD1-CG 3.93Å; F88-Y222 HydrophobicContact CD1-CG 3.93Å; F88-Y222 AromaticContact CD1-CZ 3.98Å; F88-Y222 AromaticContact CE1-CD1 3.74Å; F88-Y222 HydrophobicContact CE1-CD1 3.74Å; F88-Y222 AromaticContact CE1-CD2 3.4Å; F88-Y222 HydrophobicContact CE1-CD2 3.4Å; F88-Y222 HydrophobicContact CE1-CE1 4.24Å; F88-Y222 AromaticContact CE1-CE2 3.91Å; F88-Y222 HydrophobicContact CE1-CE2 3.91Å; F88-Y222 AromaticContact CE1-CG 3.29Å; F88-Y222 HydrophobicContact CE1-CG 3.29Å; F88-Y222 HydrophobicContact CG-CE1 4.48Å; F88-Y222 AromaticContact CZ-CD1 3.98Å; F88-Y222 HydrophobicContact CZ-CD1 3.98Å; F88-Y222 HydrophobicContact CZ-CD2 4.23Å; F88-Y222 AromaticContact CZ-CG 3.67Å; F88-Y222 HydrophobicContact CZ-CG 3.67Å; V91-Y222 HydrophobicContact CG2-CE2 4.22Å
223R97.4Very high96.2Very high69 Ų6971.4 Ų71.426%0.2636%0.363SS..EExtended strand (participates in β ladder)trans-142.9159.8169.465.5175.9179.380.4-6.4110.4Y63 L64 L217 E229Y63-R223 CarbonylContact C-O 3.58Å; Y63-R223 VanDerWaalsContact CA-O 3.32Å; Y63-R223 WeakPolarHBondContact CA-O 3.18Å; L64-R223 HydrophobicContact CB-CG 4.22Å; L64-R223 PolarHBondContact N-O 2.97Å; L64-R223 PolarHBondContact O-N 3.15Å; L217-R223 HydrophobicContact CD1-CG 4.28Å; L217-R223 HydrophobicContact CD2-CB 4.38Å; L217-R223 HydrophobicContact CD2-CG 4.35Å; R223-E229 IonicContact CZ-OE1 3.1Å; R223-E229 VanDerWaalsContact CZ-OE1 3.31Å; R223-E229 IonicContact CZ-OE2 3.8Å; R223-E229 IonicContact NH1-OE1 3.87Å; R223-E229 PolarHBondContact NH1-OE1 2.85Å; R223-E229 VanDerWaalsContact NH1-OE1 3.1Å; R223-E229 IonicContact NH1-OE2 2.82Å; R223-E229 PolarHBondContact NH1-OE2 3.42Å; R223-E229 IonicContact NH2-OE1 3.31Å; R223-E229 PolarHBondContact NH2-OE1 2.98Å; R223-E229 IonicContact NH2-OE2 2.67Å
224R97.6Very high95.9Very high155 Ų15570.3 Ų70.359%0.58535%0.354SS*.EExtended strand (participates in β ladder)trans-69.6142.1170.4-159174.8-178.9161.73.6109.9Y62 Y63Y62-R224 WeakPolarHBondContact O-CA 3.22Å; Y62-R224 WeakPolarHBondContact O-CG 3.39Å; Y63-R224 HydrophobicContact CD1-CB 4.37Å; Y63-R224 HydrophobicContact CE1-CB 4.29Å; Y63-R224 HydrophobicContact CE1-CG 4.42Å
225L97.6Very high95.6Very high7 Ų775.9 Ų75.94%0.03738%0.384CS..PPolyproline II helixtrans-74.9140.5166.2-65.1-178.1000109.4Y62 L64 I110 L212 E229 I230 L233Y62-L225 PolarHBondContact O-N 3.04Å; L64-L225 HydrophobicContact CB-CD2 3.79Å; I110-L225 HydrophobicContact CG2-CD1 4.32Å; L212-L225 HydrophobicContact CD1-CD1 4.3Å; L212-L225 HydrophobicContact CD1-CD2 4.07Å; L212-L225 HydrophobicContact CD2-CD2 3.67Å; L225-E229 WeakPolarHBondContact CA-OE2 3.15Å; L225-E229 HydrophobicContact CB-CB 4.43Å; L225-E229 HydrophobicContact CD2-CB 4.34Å; L225-I230 HydrophobicContact CB-CD1 4.33Å; L225-I230 HydrophobicContact CB-CG1 3.94Å; L225-L233 HydrophobicContact CD1-CD1 4.2Å
226N95.8Very high95.1Very high82 Ų8271 Ų7144%0.43936%0.362SS..PPolyproline II helixtrans-86.2166.3172.168.556.7000111.4K228 E229 I230N226-K228 VanDerWaalsContact C-N 3.25Å; N226-K228 PolarHBondContact O-N 3.07Å; N226-K228 WeakPolarHBondContact OD1-CA 3.46Å; N226-K228 VanDerWaalsContact OD1-CB 3.29Å; N226-K228 WeakPolarHBondContact OD1-CB 3.28Å; N226-K228 PolarHBondContact OD1-N 3.48Å; N226-E229 PolarHBondContact N-OE2 3.33Å; N226-E229 PolarHBondContact ND2-OE2 3.19Å; N226-E229 WeakPolarHBondContact O-CB 3.36Å; N226-E229 PolarHBondContact O-N 2.91Å; N226-E229 VanDerWaalsContact O-N 3.15Å; N226-E229 PolarHBondContact OD1-N 3.15Å; N226-I230 WeakPolarHBondContact O-CG1 3.35Å; N226-I230 PolarHBondContact O-N 2.88Å
227T94.8Very high94.2Very high103 Ų10368.1 Ų68.163%0.63233%0.33SS*.Hα-helixtrans-57.4-36.3-178.4-49.70000113.2I230 N231T227-I230 PolarHBondContact O-N 3.17Å; T227-N231 WeakPolarHBondContact O-CB 3.42Å; T227-N231 VanDerWaalsContact O-CG 3.22Å; T227-N231 PolarHBondContact O-N 3.09Å; T227-N231 PolarHBondContact O-ND2 2.95Å
228K95.3Very high92.9Very high165 Ų16575.5 Ų75.572%0.71736%0.361SS*.Hα-helixtrans-65-46.7177.9-177.3-177.7178.2-179.10110.7N226 I230 N231 T232N226-K228 VanDerWaalsContact C-N 3.25Å; N226-K228 PolarHBondContact O-N 3.07Å; N226-K228 WeakPolarHBondContact OD1-CA 3.46Å; N226-K228 VanDerWaalsContact OD1-CB 3.29Å; N226-K228 WeakPolarHBondContact OD1-CB 3.28Å; N226-K228 PolarHBondContact OD1-N 3.48Å; K228-I230 PolarHBondContact O-N 3.28Å; K228-N231 PolarHBondContact O-N 2.88Å; K228-T232 WeakPolarHBondContact O-CB 3.29Å; K228-T232 PolarHBondContact O-N 2.82Å; K228-T232 PolarHBondContact O-OG1 3.48Å; K228-T232 VanDerWaalsContact O-OG1 3.05Å
229E96.6Very high92.6Very high37 Ų3770.6 Ų70.617%0.17335%0.346CS..Hα-helixtrans-60.4-44.4177.5-70.8176.1133.900112.2L212 R223 L225 N226 T232 L233L212-E229 HydrophobicContact CD2-CB 3.97Å; L212-E229 HydrophobicContact CD2-CG 3.98Å; R223-E229 IonicContact CZ-OE1 3.1Å; R223-E229 VanDerWaalsContact CZ-OE1 3.31Å; R223-E229 IonicContact CZ-OE2 3.8Å; R223-E229 IonicContact NH1-OE1 3.87Å; R223-E229 PolarHBondContact NH1-OE1 2.85Å; R223-E229 VanDerWaalsContact NH1-OE1 3.1Å; R223-E229 IonicContact NH1-OE2 2.82Å; R223-E229 PolarHBondContact NH1-OE2 3.42Å; R223-E229 IonicContact NH2-OE1 3.31Å; R223-E229 PolarHBondContact NH2-OE1 2.98Å; R223-E229 IonicContact NH2-OE2 2.67Å; L225-E229 WeakPolarHBondContact CA-OE2 3.15Å; L225-E229 HydrophobicContact CB-CB 4.43Å; L225-E229 HydrophobicContact CD2-CB 4.34Å; N226-E229 PolarHBondContact N-OE2 3.33Å; N226-E229 PolarHBondContact ND2-OE2 3.19Å; N226-E229 WeakPolarHBondContact O-CB 3.36Å; N226-E229 PolarHBondContact O-N 2.91Å; N226-E229 VanDerWaalsContact O-N 3.15Å; N226-E229 PolarHBondContact OD1-N 3.15Å; E229-T232 PolarHBondContact O-N 3.24Å; E229-L233 WeakPolarHBondContact O-CG 3.42Å; E229-L233 PolarHBondContact O-N 3.05Å
230I95.3Very high92.4Very high22 Ų2270.1 Ų70.111%0.11334%0.338CS..Hα-helixtrans-60.1-51.6177-65.2162.9000109.8Y62 F117 L225 N226 T227 K228 T232 L233 L234Y62-I230 HydrophobicContact CD2-CD1 3.43Å; Y62-I230 VanDerWaalsContact CD2-CD1 3.43Å; Y62-I230 HydrophobicContact CD2-CG1 4.23Å; Y62-I230 HydrophobicContact CE2-CD1 3.87Å; Y62-I230 HydrophobicContact CG-CD1 3.91Å; Y62-I230 HydrophobicContact CG-CG1 4.23Å; F117-I230 HydrophobicContact CD2-CG2 4.39Å; F117-I230 HydrophobicContact CE2-CG2 3.89Å; L225-I230 HydrophobicContact CB-CD1 4.33Å; L225-I230 HydrophobicContact CB-CG1 3.94Å; N226-I230 WeakPolarHBondContact O-CG1 3.35Å; N226-I230 PolarHBondContact O-N 2.88Å; T227-I230 PolarHBondContact O-N 3.17Å; K228-I230 PolarHBondContact O-N 3.28Å; I230-T232 VanDerWaalsContact C-N 3.34Å; I230-T232 PolarHBondContact O-N 3.18Å; I230-L233 PolarHBondContact O-N 2.87Å; I230-L234 HydrophobicContact CG2-CD1 4.11Å; I230-L234 WeakPolarHBondContact O-CG 3.23Å; I230-L234 PolarHBondContact O-N 2.7Å
231N93.8Very high92Very high82 Ų8273.1 Ų73.144%0.43935%0.347SS..Hα-helixtrans-62.7-40.2-179.7-72.4-19000112.2T227 K228 L234 N235T227-N231 WeakPolarHBondContact O-CB 3.42Å; T227-N231 VanDerWaalsContact O-CG 3.22Å; T227-N231 PolarHBondContact O-N 3.09Å; T227-N231 PolarHBondContact O-ND2 2.95Å; K228-N231 PolarHBondContact O-N 2.88Å; N231-L234 PolarHBondContact O-N 3.46Å; N231-N235 WeakPolarHBondContact O-CB 3.35Å; N231-N235 PolarHBondContact O-N 2.88Å; N231-N235 PolarHBondContact O-ND2 2.87Å
232T92.6Very high91.7Very high38 Ų3873.8 Ų73.823%0.23335%0.35CS..Hα-helixtrans-61.2-47.2176.5-68.70000111.4D211 K228 E229 I230 L234 N235 Q236D211-T232 HydrophobicContact CB-CG2 4.04Å; D211-T232 WeakPolarHBondContact OD2-CG2 3.42Å; K228-T232 WeakPolarHBondContact O-CB 3.29Å; K228-T232 PolarHBondContact O-N 2.82Å; K228-T232 PolarHBondContact O-OG1 3.48Å; K228-T232 VanDerWaalsContact O-OG1 3.05Å; E229-T232 PolarHBondContact O-N 3.24Å; I230-T232 VanDerWaalsContact C-N 3.34Å; I230-T232 PolarHBondContact O-N 3.18Å; T232-L234 VanDerWaalsContact C-N 3.31Å; T232-L234 PolarHBondContact O-N 3.02Å; T232-N235 PolarHBondContact O-N 3.19Å; T232-Q236 HydrophobicContact CG2-CG 4.47Å; T232-Q236 VanDerWaalsContact O-CG 3.28Å; T232-Q236 WeakPolarHBondContact O-CG 3.34Å; T232-Q236 PolarHBondContact O-N 2.88Å
233L93.1Very high91.3Very high2 Ų273.6 Ų73.61%0.0135%0.354CS..Hα-helixtrans-60.9-41.4177-72167.3000112.1I110 F117 L121 Y209 L212 L225 E229 I230 Q236 S237I110-L233 HydrophobicContact CD1-CD1 4.09Å; F117-L233 HydrophobicContact CZ-CD1 4.13Å; L121-L233 HydrophobicContact CD1-CB 4.49Å; L121-L233 HydrophobicContact CD1-CD1 4.17Å; L121-L233 HydrophobicContact CD2-CB 3.92Å; Y209-L233 HydrophobicContact CD1-CD2 4.09Å; L212-L233 HydrophobicContact CD1-CD1 3.61Å; L212-L233 HydrophobicContact CD1-CD2 4.22Å; L212-L233 HydrophobicContact CD1-CG 4.38Å; L212-L233 HydrophobicContact CG-CD1 4.1Å; L212-L233 HydrophobicContact CG-CD2 4.24Å; L212-L233 HydrophobicContact CG-CG 4.44Å; L225-L233 HydrophobicContact CD1-CD1 4.2Å; E229-L233 WeakPolarHBondContact O-CG 3.42Å; E229-L233 PolarHBondContact O-N 3.05Å; I230-L233 PolarHBondContact O-N 2.87Å; L233-Q236 PolarHBondContact O-N 2.85Å; L233-S237 PolarHBondContact O-N 2.98Å
234L91.5Very high90.9Very high35 Ų3573.9 Ų73.918%0.18336%0.36CS..Hα-helixtrans-65.5-39.1176.3-69.9179.4000111.7F117 R120 I230 N231 T232 S237F117-L234 HydrophobicContact CD2-CD1 4.4Å; F117-L234 HydrophobicContact CD2-CD2 3.7Å; F117-L234 HydrophobicContact CD2-CG 4.11Å; F117-L234 HydrophobicContact CE2-CD2 4.05Å; F117-L234 HydrophobicContact CE2-CG 4.1Å; R120-L234 HydrophobicContact CG-CD2 4.38Å; R120-L234 PolarHBondContact NH2-O 3.42Å; I230-L234 HydrophobicContact CG2-CD1 4.11Å; I230-L234 WeakPolarHBondContact O-CG 3.23Å; I230-L234 PolarHBondContact O-N 2.7Å; N231-L234 PolarHBondContact O-N 3.46Å; T232-L234 VanDerWaalsContact C-N 3.31Å; T232-L234 PolarHBondContact O-N 3.02Å; L234-S237 PolarHBondContact O-N 2.92Å; L234-S237 PolarHBondContact O-OG 2.83Å
235N89.7Confident90.4Very high133 Ų13368.1 Ų68.171%0.71134%0.344SS*.Hα-helixtrans-73.7-26.9178.7-69.8-18.3000113.2N231 T232 S237N231-N235 WeakPolarHBondContact O-CB 3.35Å; N231-N235 PolarHBondContact O-N 2.88Å; N231-N235 PolarHBondContact O-ND2 2.87Å; T232-N235 PolarHBondContact O-N 3.19Å; N235-S237 VanDerWaalsContact C-N 3.28Å
236Q83.2Confident89.8Confident60 Ų6072.8 Ų72.828%0.2837%0.367SS..Hα-helixtrans-72.4-22.7173.9-75-179.3-25.500113.2G210 D211 T232 L233 K238G210-Q236 VanDerWaalsContact CA-OE1 3.25Å; D211-Q236 PolarHBondContact OD1-NE2 3.33Å; D211-Q236 PolarHBondContact OD2-NE2 3.23Å; T232-Q236 HydrophobicContact CG2-CG 4.47Å; T232-Q236 VanDerWaalsContact O-CG 3.28Å; T232-Q236 WeakPolarHBondContact O-CG 3.34Å; T232-Q236 PolarHBondContact O-N 2.88Å; L233-Q236 PolarHBondContact O-N 2.85Å; Q236-K238 PolarHBondContact O-N 3.28Å
237S77.8Confident89.3Confident10 Ų1072.1 Ų72.17%0.0736%0.361CS..  trans-68.3113.4174.471.50000110.1R120 H126 L233 L234 N235R120-S237 VanDerWaalsContact CZ-OG 3.25Å; R120-S237 PolarHBondContact NE-OG 3.5Å; R120-S237 PolarHBondContact NH2-OG 3.49Å; H126-S237 WeakPolarHBondContact O-CA 3.24Å; L233-S237 PolarHBondContact O-N 2.98Å; L234-S237 PolarHBondContact O-N 2.92Å; L234-S237 PolarHBondContact O-OG 2.83Å; N235-S237 VanDerWaalsContact C-N 3.28Å
238K68.7Low88.9Confident178 Ų17869.3 Ų69.377%0.77434%0.337SS*.  trans-74.40176.3-61.9-176.6-172.41700112.9H126 Q127 Q236H126-K238 PolarHBondContact ND1-O 2.88Å; H126-K238 PolarHBondContact O-N 3.32Å; H126-K238 VanDerWaalsContact O-N 3.1Å; Q127-K238 HydrophobicContact CB-CD 4.36Å; Q236-K238 PolarHBondContact O-N 3.28Å

Retrieved 238 of 238 residues in 212 ms (Link to these results)

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