A0A3Q0KNP1_SCHMA Loading...

deoxyribose-phosphate aldolase

AlphaFold DB , UniProt , Accession A0A3Q0KNP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 323 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
1M60.4Low86.4Confident95 Ų9571.9 Ų71.947%0.46841%0.408SS..  0150.80-76.1167.3-116.700111.4H190 F220 D288M1-H190 WeakPolarHBondContact CB-CE1 3.42Å; M1-H190 VanDerWaalsContact CB-NE2 3.34Å; M1-H190 WeakPolarHBondContact CB-NE2 3.29Å; M1-H190 PolarHBondContact SD-CE1 3.02Å; M1-F220 HydrophobicContact SD-CE2 4.42Å; M1-D288 HydrophobicContact CE-CB 4.22Å; M1-D288 WeakPolarHBondContact CE-OD1 3.48Å; M1-D288 HydrophobicContact CG-CB 3.5Å; M1-D288 VanDerWaalsContact CG-OD1 3.23Å; M1-D288 WeakPolarHBondContact CG-OD1 3.24Å; M1-D288 VanDerWaalsContact CG-OD2 3.31Å; M1-D288 WeakPolarHBondContact CG-OD2 3.5Å; M1-D288 WeakPolarHBondContact SD-CA 3.15Å; M1-D288 HydrophobicContact SD-CB 3.82Å
2K71.8Confident86.9Confident194 Ų19472.2 Ų72.284%0.84342%0.418SS*.PPolyproline II helixtrans-74.4147.9168.7-71.7-175.9177.3-178.80109.7H190K2-H190 PolarHBondContact O-NE2 3.39Å
3V79.2Confident87.2Confident38 Ų3868.5 Ų68.523%0.2340%0.395CS..PPolyproline II helixtrans-88.3139.2170.3176.90000109R182 D187 D219V3-R182 VanDerWaalsContact CG1-CZ 3.44Å; V3-D187 VanDerWaalsContact CG2-O 3.24Å; V3-D187 WeakPolarHBondContact CG2-O 3.43Å; V3-D219 VanDerWaalsContact CA-OD1 3.28Å; V3-D219 WeakPolarHBondContact CA-OD1 3.46Å
4G77.6Confident87.6Confident18 Ų1864.4 Ų64.419%0.18637%0.371CS..PPolyproline II helixtrans-63.4139.8-177.900000112.1D219G4-D219 PolarHBondContact N-OD1 2.76Å
5C88.8Confident87.4Confident79 Ų7966.3 Ų66.353%0.53438%0.384SS..PPolyproline II helixtrans-101.2142.1172.462.20000110.8Q7C5-Q7 PolarHBondContact O-N 3.24Å; C5-Q7 PolarHBondContact O-NE2 3.01Å; C5-Q7 VanDerWaalsContact O-NE2 3.13Å; C5-Q7 PolarHBondContact SG-NE2 3.19Å
6I96Very high86.4Confident62 Ų6263.3 Ų63.332%0.31837%0.365SS..PPolyproline II helixtrans-65.7122.8176.3-63.1170.5000108.6Y175 C179 R182 K183I6-Y175 HydrophobicContact CG2-CE2 4.43Å; I6-Y175 VanDerWaalsContact CG2-OH 3.25Å; I6-Y175 WeakPolarHBondContact CG2-OH 3.49Å; I6-C179 HydrophobicContact CD1-CB 4.03Å; I6-R182 HydrophobicContact CD1-CB 4.44Å; I6-R182 HydrophobicContact CD1-CG 4.17Å; I6-R182 HydrophobicContact CG1-CG 3.94Å; I6-K183 HydrophobicContact CD1-CG 4.27Å
7Q96.5Very high85.5Confident42 Ų4268.3 Ų68.320%0.19639%0.39CS..PPolyproline II helixtrans-87.5160168.1-55.8-49.7-55.200109.9C5 Y175 L215 F247 Y251C5-Q7 PolarHBondContact O-N 3.24Å; C5-Q7 PolarHBondContact O-NE2 3.01Å; C5-Q7 VanDerWaalsContact O-NE2 3.13Å; C5-Q7 PolarHBondContact SG-NE2 3.19Å; Q7-Y175 PolarHBondContact O-OH 3.06Å; Q7-L215 HydrophobicContact CB-CD2 3.74Å; Q7-L215 HydrophobicContact CG-CD2 4.33Å; Q7-L215 PolarHBondContact N-O 3.43Å; Q7-F247 HydrophobicContact CG-CZ 4.1Å; Q7-Y251 HydrophobicContact CB-CE1 4.41Å; Q7-Y251 HydrophobicContact CG-CD1 4.17Å; Q7-Y251 HydrophobicContact CG-CE1 4.25Å
8A95.9Very high84.2Confident81 Ų8170.7 Ų70.767%0.66940%0.397SS*.PPolyproline II helixtrans-60.9141.2169.700000110.2D10A8-D10 PolarHBondContact O-N 2.89Å
9Y96.9Very high83.2Confident67 Ų6770 Ų7026%0.26339%0.392SS..PPolyproline II helixtrans-60.6123.9172.2-179.9-104.6000109.5A11 L14 W171 E172 Y175 V212Y9-A11 HydrophobicContact CE1-CB 4.04Å; Y9-L14 HydrophobicContact CE2-CD1 4.29Å; Y9-L14 WeakPolarHBondContact OH-CD1 3.3Å; Y9-W171 WeakPolarHBondContact OH-CB 3.44Å; Y9-E172 HydrophobicContact CD1-CG 4.37Å; Y9-E172 HydrophobicContact CE1-CB 4.11Å; Y9-E172 HydrophobicContact CE1-CG 4.33Å; Y9-E172 HydrophobicContact CE2-CB 4.33Å; Y9-Y175 HydrophobicContact CD2-CD1 4.06Å; Y9-Y175 AromaticContact CD2-CD2 3.92Å; Y9-Y175 HydrophobicContact CD2-CD2 3.92Å; Y9-Y175 AromaticContact CD2-CG 3.63Å; Y9-Y175 HydrophobicContact CD2-CG 3.63Å; Y9-Y175 HydrophobicContact CE2-CG 4.46Å; Y9-Y175 HydrophobicContact CG-CD1 4.33Å; Y9-Y175 HydrophobicContact CG-CG 4.31Å; Y9-V212 HydrophobicContact CE2-CG2 4.38Å
10D93.1Very high82.4Confident57 Ų5772.7 Ų72.731%0.30540%0.401SS..  trans-128.9101.3-179.6-172.5-12.1000109.4A8 S12 M13A8-D10 PolarHBondContact O-N 2.89Å; D10-S12 VanDerWaalsContact CG-OG 3.29Å; D10-S12 PolarHBondContact O-N 3.25Å; D10-S12 VanDerWaalsContact OD1-CB 3.29Å; D10-S12 WeakPolarHBondContact OD1-CB 3.47Å; D10-S12 PolarHBondContact OD1-N 3.16Å; D10-S12 PolarHBondContact OD1-OG 3.14Å; D10-S12 PolarHBondContact OD2-OG 3.05Å; D10-M13 HydrophobicContact CB-CG 4.03Å; D10-M13 PolarHBondContact O-N 3.42Å
11A94.2Very high81.9Confident58 Ų5871.7 Ų71.748%0.47940%0.402SS..G310 helixtrans-66-21.5178.900000112.9Y9 M13 L14Y9-A11 HydrophobicContact CE1-CB 4.04Å; A11-M13 VanDerWaalsContact C-N 3.25Å; A11-M13 PolarHBondContact O-N 3.42Å; A11-L14 WeakPolarHBondContact O-CB 3.48Å; A11-L14 PolarHBondContact O-N 3.28Å; A11-L14 VanDerWaalsContact O-N 3.16Å
12S92.2Very high82.6Confident75 Ų7570.9 Ų70.952%0.52441%0.406SS..G310 helixtrans-70.2-25.3177.975.70000112.2D10 L14 T15D10-S12 VanDerWaalsContact CG-OG 3.29Å; D10-S12 PolarHBondContact O-N 3.25Å; D10-S12 VanDerWaalsContact OD1-CB 3.29Å; D10-S12 WeakPolarHBondContact OD1-CB 3.47Å; D10-S12 PolarHBondContact OD1-N 3.16Å; D10-S12 PolarHBondContact OD1-OG 3.14Å; D10-S12 PolarHBondContact OD2-OG 3.05Å; S12-L14 PolarHBondContact O-N 2.91Å; S12-T15 PolarHBondContact O-OG1 3.45Å
13M91.5Very high83.4Confident25 Ų2565.4 Ų65.412%0.12339%0.386CS..G310 helixtrans-72.2-10.1173.2-67.1-59.3-62.100113.2D10 A11 T15 Y207 M211 V250 Y251D10-M13 HydrophobicContact CB-CG 4.03Å; D10-M13 PolarHBondContact O-N 3.42Å; A11-M13 VanDerWaalsContact C-N 3.25Å; A11-M13 PolarHBondContact O-N 3.42Å; M13-T15 VanDerWaalsContact C-N 3.32Å; M13-Y207 WeakPolarHBondContact O-CE1 3.28Å; M13-M211 HydrophobicContact CB-SD 4.39Å; M13-M211 HydrophobicContact CE-SD 4.1Å; M13-M211 WeakPolarHBondContact O-CG 3.43Å; M13-V250 HydrophobicContact CE-CB 4.07Å; M13-V250 HydrophobicContact CE-CG1 4.3Å; M13-V250 HydrophobicContact CE-CG2 3.76Å; M13-V250 HydrophobicContact SD-CB 4.49Å; M13-V250 HydrophobicContact SD-CG1 4.16Å; M13-V250 HydrophobicContact SD-CG2 4.09Å; M13-Y251 HydrophobicContact CE-CE2 4.1Å; M13-Y251 HydrophobicContact CG-CE2 4.41Å
14L92.7Very high84Confident10 Ų1063.6 Ų63.65%0.05238%0.375CS..G310 helixtrans-88.92.1-177.6-54.7-170.7000113.2Y9 A11 S12 W171 K208 M211 V212Y9-L14 HydrophobicContact CE2-CD1 4.29Å; Y9-L14 WeakPolarHBondContact OH-CD1 3.3Å; A11-L14 WeakPolarHBondContact O-CB 3.48Å; A11-L14 PolarHBondContact O-N 3.28Å; A11-L14 VanDerWaalsContact O-N 3.16Å; S12-L14 PolarHBondContact O-N 2.91Å; L14-W171 HydrophobicContact CD1-CB 3.7Å; L14-W171 HydrophobicContact CD1-CG 3.94Å; L14-K208 HydrophobicContact CB-CG 4.1Å; L14-K208 WeakPolarHBondContact O-CE 3.5Å; L14-K208 WeakPolarHBondContact O-CG 3.35Å; L14-M211 HydrophobicContact CD2-CB 3.57Å; L14-V212 HydrophobicContact CD1-CG2 4.01Å; L14-V212 HydrophobicContact CD2-CG2 3.69Å
15T84.8Confident84.8Confident93 Ų9366 Ų6657%0.57138%0.383SS*.  trans-90.8127.717354.40000110.1S12 M13S12-T15 PolarHBondContact O-OG1 3.45Å; M13-T15 VanDerWaalsContact C-N 3.32Å
16Y71.4Confident85Confident18 Ų1866.8 Ų66.87%0.07138%0.379CS..  trans-128.6109.1177.4-171.1-123.8000110.6H18 I19 Y207 R242Y16-H18 HydrophobicContact CD1-CB 4.34Å; Y16-H18 HydrophobicContact CE1-CB 3.68Å; Y16-H18 HydrophobicContact CE2-CB 4Å; Y16-H18 AromaticContact CE2-CD2 3.51Å; Y16-H18 VanDerWaalsContact CZ-CB 3.48Å; Y16-H18 AromaticContact CZ-CD2 3.85Å; Y16-H18 PolarHBondContact O-N 3.18Å; Y16-H18 WeakPolarHBondContact OH-CB 3.43Å; Y16-I19 HydrophobicContact CD1-CD1 3.68Å; Y16-I19 HydrophobicContact CD1-CG1 3.29Å; Y16-I19 HydrophobicContact CE1-CD1 4.45Å; Y16-I19 HydrophobicContact CE1-CG1 3.78Å; Y16-I19 HydrophobicContact CG-CG1 4.37Å; Y16-Y207 VanDerWaalsContact CB-CD1 3.49Å; Y16-Y207 AromaticContact CD1-CD2 3.8Å; Y16-Y207 HydrophobicContact CD1-CD2 3.8Å; Y16-Y207 HydrophobicContact CD1-CE2 4.38Å; Y16-Y207 AromaticContact CD1-CG 3.99Å; Y16-Y207 HydrophobicContact CD1-CG 3.99Å; Y16-Y207 HydrophobicContact CD2-CD1 4.34Å; Y16-Y207 AromaticContact CD2-CD2 3.39Å; Y16-Y207 HydrophobicContact CD2-CD2 3.39Å; Y16-Y207 HydrophobicContact CD2-CE1 4.09Å; Y16-Y207 AromaticContact CD2-CE2 3.09Å; Y16-Y207 HydrophobicContact CD2-CE2 3.09Å; Y16-Y207 HydrophobicContact CD2-CG 4.01Å; Y16-Y207 AromaticContact CD2-CZ 3.48Å; Y16-Y207 VanDerWaalsContact CD2-CZ 3.48Å; Y16-Y207 HydrophobicContact CE1-CD2 4.17Å; Y16-Y207 AromaticContact CE2-CD2 3.72Å; Y16-Y207 HydrophobicContact CE2-CD2 3.72Å; Y16-Y207 AromaticContact CE2-CE2 3.45Å; Y16-Y207 HydrophobicContact CE2-CE2 3.45Å; Y16-Y207 VanDerWaalsContact CE2-CE2 3.45Å; Y16-Y207 AromaticContact CG-CD1 3.98Å; Y16-Y207 HydrophobicContact CG-CD1 3.98Å; Y16-Y207 AromaticContact CG-CD2 3.44Å; Y16-Y207 HydrophobicContact CG-CD2 3.44Å; Y16-Y207 VanDerWaalsContact CG-CD2 3.44Å; Y16-Y207 HydrophobicContact CG-CE1 4.14Å; Y16-Y207 AromaticContact CG-CE2 3.64Å; Y16-Y207 HydrophobicContact CG-CE2 3.64Å; Y16-Y207 AromaticContact CG-CG 3.62Å; Y16-Y207 HydrophobicContact CG-CG 3.62Å; Y16-Y207 AromaticContact CG-CZ 3.98Å; Y16-R242 HydrophobicContact CE2-CB 4.4Å; Y16-R242 WeakPolarHBondContact OH-CD 3.44Å; Y16-R242 PolarHBondContact OH-NH1 3.45Å
17D70.6Confident85Confident149 Ų14966.2 Ų66.280%0.79738%0.376SS*.THydrogen-bonded Turntrans-79.80.6-171.7-65.4-26.4000113.6
18H62.8Low84.9Confident112 Ų11264.3 Ų64.352%0.51937%0.367SS..THydrogen-bonded Turntrans-106.723.9-167.9-58.7-58.5000115.5Y16 E20Y16-H18 HydrophobicContact CD1-CB 4.34Å; Y16-H18 HydrophobicContact CE1-CB 3.68Å; Y16-H18 HydrophobicContact CE2-CB 4Å; Y16-H18 AromaticContact CE2-CD2 3.51Å; Y16-H18 VanDerWaalsContact CZ-CB 3.48Å; Y16-H18 AromaticContact CZ-CD2 3.85Å; Y16-H18 PolarHBondContact O-N 3.18Å; Y16-H18 WeakPolarHBondContact OH-CB 3.43Å; H18-E20 PolarHBondContact O-N 3.2Å
19I63.7Low84.9Confident57 Ų5766.4 Ų66.429%0.29236%0.361SS..  trans-100.986-175.4-46.2-174.1000112.8Y16 Y203 D204Y16-I19 HydrophobicContact CD1-CD1 3.68Å; Y16-I19 HydrophobicContact CD1-CG1 3.29Å; Y16-I19 HydrophobicContact CE1-CD1 4.45Å; Y16-I19 HydrophobicContact CE1-CG1 3.78Å; Y16-I19 HydrophobicContact CG-CG1 4.37Å; I19-Y203 HydrophobicContact CG2-CD2 4.15Å; I19-Y203 HydrophobicContact CG2-CG 4.49Å; I19-D204 HydrophobicContact CD1-CB 3.59Å
20E69Low84.8Confident123 Ų12368.8 Ų68.858%0.57538%0.375SS*.  trans-112.8119.4147.4-80.8-169.4157.400108.9H18 S22 N23 V24H18-E20 PolarHBondContact O-N 3.2Å; E20-S22 PolarHBondContact O-N 2.77Å; E20-N23 HydrophobicContact CB-CB 4.33Å; E20-N23 PolarHBondContact O-N 2.77Å; E20-N23 PolarHBondContact OE2-ND2 3.35Å; E20-V24 PolarHBondContact O-N 3.03Å
21A70.3Confident84.9Confident52 Ų5267.9 Ų67.943%0.4337%0.37SS..Hα-helixtrans-59.2-35-172.100000113.5N23 V24 I25 Y203A21-N23 VanDerWaalsContact C-N 3.32Å; A21-N23 PolarHBondContact O-N 2.86Å; A21-V24 PolarHBondContact O-N 3.43Å; A21-I25 WeakPolarHBondContact O-CG1 3.4Å; A21-I25 PolarHBondContact O-N 3.08Å; A21-Y203 HydrophobicContact CB-CD2 4.15Å; A21-Y203 HydrophobicContact CB-CE2 3.73Å
22S75.4Confident85Confident78 Ų7865.5 Ų65.555%0.54535%0.349SS..Hα-helixtrans-60.5-40.7175460000112.1E20 Q26E20-S22 PolarHBondContact O-N 2.77Å; S22-Q26 PolarHBondContact O-N 2.79Å
23N89.2Confident85Confident79 Ų7968.3 Ų68.342%0.42236%0.358SS..Hα-helixtrans-72.1-41.4-177.8-61.2-15.3000110.5E20 A21 I25 Q26 I27E20-N23 HydrophobicContact CB-CB 4.33Å; E20-N23 PolarHBondContact O-N 2.77Å; E20-N23 PolarHBondContact OE2-ND2 3.35Å; A21-N23 VanDerWaalsContact C-N 3.32Å; A21-N23 PolarHBondContact O-N 2.86Å; N23-I25 PolarHBondContact O-N 3.42Å; N23-Q26 PolarHBondContact O-N 3.36Å; N23-I27 HydrophobicContact CB-CD1 4.48Å; N23-I27 WeakPolarHBondContact O-CB 3.35Å; N23-I27 WeakPolarHBondContact O-CD1 3.45Å; N23-I27 WeakPolarHBondContact O-CG1 3.31Å; N23-I27 PolarHBondContact O-N 3.37Å
24V92.4Very high84.9Confident1 Ų171 Ų711%0.00638%0.376CS..Hα-helixtrans-60.6-44.2178.4179.30000111.6E20 A21 A28 Y203 P235 L238 V239E20-V24 PolarHBondContact O-N 3.03Å; A21-V24 PolarHBondContact O-N 3.43Å; V24-A28 VanDerWaalsContact O-CB 3.28Å; V24-A28 WeakPolarHBondContact O-CB 3.43Å; V24-A28 PolarHBondContact O-N 2.94Å; V24-Y203 HydrophobicContact CB-CE2 4.19Å; V24-Y203 HydrophobicContact CG1-CE2 4.29Å; V24-Y203 HydrophobicContact CG2-CD2 4.37Å; V24-P235 HydrophobicContact CG1-CB 3.96Å; V24-P235 WeakPolarHBondContact CG1-O 3.38Å; V24-L238 HydrophobicContact CG1-CB 4.45Å; V24-L238 HydrophobicContact CG1-CD2 4.06Å; V24-V239 HydrophobicContact CG1-CG2 3.97Å
25I93.6Very high84.9Confident69 Ų6979.8 Ų79.835%0.35441%0.414SS..Hα-helixtrans-64.4-43.7179.8-66.9166.9000111.1A21 N23 K29 P235A21-I25 WeakPolarHBondContact O-CG1 3.4Å; A21-I25 PolarHBondContact O-N 3.08Å; N23-I25 PolarHBondContact O-N 3.42Å; I25-K29 WeakPolarHBondContact O-CG 3.3Å; I25-K29 PolarHBondContact O-N 3.44Å; I25-P235 HydrophobicContact CB-CG 4.48Å; I25-P235 HydrophobicContact CG1-CB 4.13Å; I25-P235 HydrophobicContact CG1-CG 3.88Å
26Q94.1Very high85.3Confident95 Ų9576.6 Ų76.644%0.44439%0.393SS..Hα-helixtrans-66.3-46.6-179-177.657.825.600111.4S22 N23 A28 K29 E30S22-Q26 PolarHBondContact O-N 2.79Å; N23-Q26 PolarHBondContact O-N 3.36Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.48Å; Q26-K29 WeakPolarHBondContact O-CB 3.43Å; Q26-K29 PolarHBondContact O-N 3.41Å; Q26-K29 VanDerWaalsContact O-N 3.15Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.19Å; Q26-E30 PolarHBondContact NE2-OE1 3.31Å; Q26-E30 WeakPolarHBondContact O-CG 3.13Å; Q26-E30 PolarHBondContact O-N 2.83Å
27I94.6Very high86.5Confident50 Ų5079.4 Ų79.426%0.25641%0.414SS..Hα-helixtrans-62.4-43.2178.5-65.1165.9000110.5N23 K29 E30 L31 L238N23-I27 HydrophobicContact CB-CD1 4.48Å; N23-I27 WeakPolarHBondContact O-CB 3.35Å; N23-I27 WeakPolarHBondContact O-CD1 3.45Å; N23-I27 WeakPolarHBondContact O-CG1 3.31Å; N23-I27 PolarHBondContact O-N 3.37Å; I27-K29 PolarHBondContact O-N 3.07Å; I27-E30 PolarHBondContact O-N 3.3Å; I27-E30 VanDerWaalsContact O-N 3.16Å; I27-L31 HydrophobicContact CG2-CD1 3.63Å; I27-L31 HydrophobicContact CG2-CG 4.13Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 VanDerWaalsContact O-CG 3.23Å; I27-L31 WeakPolarHBondContact O-CG 3.22Å; I27-L31 PolarHBondContact O-N 3.25Å; I27-L238 HydrophobicContact CB-CD2 3.9Å; I27-L238 HydrophobicContact CG2-CD2 3.66Å
28A95.6Very high87.5Confident2 Ų275.9 Ų75.92%0.01740%0.398CS..Hα-helixtrans-58.4-38.4177.100000112V24 Q26 T32 L234 P235 L238V24-A28 VanDerWaalsContact O-CB 3.28Å; V24-A28 WeakPolarHBondContact O-CB 3.43Å; V24-A28 PolarHBondContact O-N 2.94Å; Q26-A28 VanDerWaalsContact C-N 3.34Å; Q26-A28 PolarHBondContact O-N 3.48Å; A28-T32 WeakPolarHBondContact O-CG2 3.4Å; A28-T32 PolarHBondContact O-N 3.09Å; A28-T32 PolarHBondContact O-OG1 3.11Å; A28-L234 HydrophobicContact CB-CB 4.13Å; A28-P235 HydrophobicContact CB-CG 4.44Å; A28-L238 HydrophobicContact CB-CB 4.5Å; A28-L238 HydrophobicContact CB-CD2 4.16Å
29K95Very high88.9Confident125 Ų12574.3 Ų74.354%0.54339%0.393SS..Hα-helixtrans-68.5-43.8175.1-71.6174.3-179.4177.70112.2I25 Q26 I27 L31 T32 N33I25-K29 WeakPolarHBondContact O-CG 3.3Å; I25-K29 PolarHBondContact O-N 3.44Å; Q26-K29 WeakPolarHBondContact O-CB 3.43Å; Q26-K29 PolarHBondContact O-N 3.41Å; Q26-K29 VanDerWaalsContact O-N 3.15Å; I27-K29 PolarHBondContact O-N 3.07Å; K29-L31 VanDerWaalsContact C-N 3.28Å; K29-L31 PolarHBondContact O-N 2.86Å; K29-T32 PolarHBondContact O-N 3.27Å; K29-N33 VanDerWaalsContact O-CB 3.23Å; K29-N33 WeakPolarHBondContact O-CB 3.22Å; K29-N33 PolarHBondContact O-N 3.49Å; K29-N33 VanDerWaalsContact O-N 3.17Å
30E95.4Very high90.4Very high117 Ų11774 Ų7455%0.54739%0.392SS..Hα-helixtrans-61.3-39.4-180-73169-175.800111.7Q26 I27 T32Q26-E30 WeakPolarHBondContact CG-OE1 3.19Å; Q26-E30 PolarHBondContact NE2-OE1 3.31Å; Q26-E30 WeakPolarHBondContact O-CG 3.13Å; Q26-E30 PolarHBondContact O-N 2.83Å; I27-E30 PolarHBondContact O-N 3.3Å; I27-E30 VanDerWaalsContact O-N 3.16Å; E30-T32 VanDerWaalsContact C-N 3.26Å; E30-T32 PolarHBondContact O-N 3.17Å
31L95.5Very high91.7Very high37 Ų3769.7 Ų69.719%0.19437%0.372CS..THydrogen-bonded Turntrans-70.9-15.8178.5-66169000114.1I27 K29 L238 L275 N278 V279I27-L31 HydrophobicContact CG2-CD1 3.63Å; I27-L31 HydrophobicContact CG2-CG 4.13Å; I27-L31 WeakPolarHBondContact O-CB 3.37Å; I27-L31 VanDerWaalsContact O-CG 3.23Å; I27-L31 WeakPolarHBondContact O-CG 3.22Å; I27-L31 PolarHBondContact O-N 3.25Å; K29-L31 VanDerWaalsContact C-N 3.28Å; K29-L31 PolarHBondContact O-N 2.86Å; L31-L238 HydrophobicContact CD1-CD1 3.83Å; L31-L238 HydrophobicContact CD1-CD2 4.49Å; L31-L275 HydrophobicContact CB-CD1 4.15Å; L31-L275 HydrophobicContact CD1-CD1 3.83Å; L31-N278 HydrophobicContact CD2-CB 3.72Å; L31-N278 PolarHBondContact O-ND2 3.39Å; L31-V279 HydrophobicContact CD1-CG2 3.7Å
32T95.2Very high93Very high8 Ų867.2 Ų67.25%0.04935%0.351CS..THydrogen-bonded Turntrans-124.916.9-17571.60000113.5A28 K29 E30 L234 D271 Q274 L275A28-T32 WeakPolarHBondContact O-CG2 3.4Å; A28-T32 PolarHBondContact O-N 3.09Å; A28-T32 PolarHBondContact O-OG1 3.11Å; K29-T32 PolarHBondContact O-N 3.27Å; E30-T32 VanDerWaalsContact C-N 3.26Å; E30-T32 PolarHBondContact O-N 3.17Å; T32-L234 HydrophobicContact CG2-CD1 4.18Å; T32-L234 HydrophobicContact CG2-CD2 4.24Å; T32-D271 HydrophobicContact CG2-CB 4.25Å; T32-D271 WeakPolarHBondContact CG2-O 3.37Å; T32-Q274 VanDerWaalsContact CA-OE1 3.26Å; T32-Q274 HydrophobicContact CG2-CB 4.38Å; T32-Q274 PolarHBondContact O-OE1 2.97Å; T32-Q274 VanDerWaalsContact O-OE1 3.13Å; T32-L275 HydrophobicContact CG2-CB 3.85Å; T32-L275 HydrophobicContact CG2-CD1 4.43Å
33N92.1Very high93.9Very high135 Ų13568.3 Ų68.372%0.72235%0.347SS*.  trans-104.735-178.7-166.537.8000112.2K29K29-N33 VanDerWaalsContact O-CB 3.23Å; K29-N33 WeakPolarHBondContact O-CB 3.22Å; K29-N33 PolarHBondContact O-N 3.49Å; K29-N33 VanDerWaalsContact O-N 3.17Å
34T90.4Very high94.3Very high80 Ų8066.5 Ų66.549%0.49134%0.335SS..PPolyproline II helixtrans-101.6122.7176.4-550000109.7Q274T34-Q274 PolarHBondContact O-NE2 3.42Å
35K92.1Very high94.6Very high195 Ų19566.4 Ų66.485%0.84833%0.334SS*.PPolyproline II helixtrans-80.4124171.7-172.9176.8179.7-178.10109.2
36L94Very high94.8Very high27 Ų2763.5 Ų63.514%0.14132%0.319CS..PPolyproline II helixtrans-84141.4176.9-59.5177.8000110.6I40 E41 W44 I270L36-I40 HydrophobicContact CB-CB 4.43Å; L36-I40 HydrophobicContact CB-CG2 4.39Å; L36-I40 HydrophobicContact CD1-CG2 4.37Å; L36-I40 HydrophobicContact CD2-CG2 4.04Å; L36-I40 HydrophobicContact CG-CG2 4.49Å; L36-E41 HydrophobicContact CB-CB 4.19Å; L36-W44 HydrophobicContact CD1-CB 4.2Å; L36-W44 HydrophobicContact CD1-CD2 3.7Å; L36-W44 HydrophobicContact CD1-CE3 3.79Å; L36-W44 HydrophobicContact CD1-CG 3.89Å; L36-W44 HydrophobicContact CD1-CZ3 4.45Å; L36-I270 HydrophobicContact CD1-CD1 3.94Å; L36-I270 HydrophobicContact CD1-CG2 3.83Å; L36-I270 HydrophobicContact CG-CG2 4.48Å
37P94.7Very high94.9Very high76 Ų7662.6 Ų62.649%0.49431%0.314SS..PPolyproline II helixtrans-55.9154.1160.2-24.336000111.4D39 I40 E41P37-D39 WeakPolarHBondContact CB-OD1 3.34Å; P37-D39 PolarHBondContact O-N 3.1Å; P37-I40 HydrophobicContact CB-CG1 4.21Å; P37-I40 HydrophobicContact CG-CG1 4.28Å; P37-I40 PolarHBondContact O-N 3.16Å; P37-E41 PolarHBondContact O-N 2.87Å
38T92.6Very high95.1Very high75 Ų7560.2 Ų60.246%0.4630%0.302SS..Hα-helixtrans-57.8-45-172.8-64.70000113.6E41 V42 L308T38-E41 PolarHBondContact O-N 3.01Å; T38-V42 WeakPolarHBondContact O-CG2 3.49Å; T38-V42 PolarHBondContact O-N 3.48Å; T38-L308 HydrophobicContact CG2-CD2 4.09Å
39D93.1Very high95.3Very high80 Ų8060.1 Ų60.143%0.42830%0.301SS..Hα-helixtrans-59-47.2176.753.5-35.9000111.4P37 E41 V42 E43 F89P37-D39 WeakPolarHBondContact CB-OD1 3.34Å; P37-D39 PolarHBondContact O-N 3.1Å; D39-E41 PolarHBondContact O-N 3.41Å; D39-V42 PolarHBondContact O-N 3.06Å; D39-E43 PolarHBondContact O-N 3.4Å; D39-E43 VanDerWaalsContact O-N 3.07Å; D39-F89 HydrophobicContact CB-CE1 4.21Å
40I94.9Very high95.4Very high51 Ų5156.1 Ų56.126%0.26229%0.288SS..Hα-helixtrans-66.9-37.5176.8-52.6-55.8000111.5L36 P37 V42 E43 W44L36-I40 HydrophobicContact CB-CB 4.43Å; L36-I40 HydrophobicContact CB-CG2 4.39Å; L36-I40 HydrophobicContact CD1-CG2 4.37Å; L36-I40 HydrophobicContact CD2-CG2 4.04Å; L36-I40 HydrophobicContact CG-CG2 4.49Å; P37-I40 HydrophobicContact CB-CG1 4.21Å; P37-I40 HydrophobicContact CG-CG1 4.28Å; P37-I40 PolarHBondContact O-N 3.16Å; I40-V42 VanDerWaalsContact C-N 3.35Å; I40-E43 PolarHBondContact O-N 3.29Å; I40-W44 WeakPolarHBondContact O-CB 3.5Å; I40-W44 PolarHBondContact O-N 2.97Å
41E96.3Very high95.6Very high32 Ų3250.6 Ų50.615%0.1526%0.262CS..Hα-helixtrans-61.9-43.1175.4-168.7-177.8170.900110.9L36 P37 T38 D39 W44 L45 R304 L308L36-E41 HydrophobicContact CB-CB 4.19Å; P37-E41 PolarHBondContact O-N 2.87Å; T38-E41 PolarHBondContact O-N 3.01Å; D39-E41 PolarHBondContact O-N 3.41Å; E41-W44 PolarHBondContact O-N 3.48Å; E41-L45 HydrophobicContact CG-CD1 4.06Å; E41-L45 HydrophobicContact CG-CG 4.4Å; E41-L45 WeakPolarHBondContact O-CB 3.27Å; E41-L45 WeakPolarHBondContact O-CG 3.41Å; E41-L45 PolarHBondContact O-N 2.97Å; E41-R304 VanDerWaalsContact CD-NH2 3.31Å; E41-R304 IonicContact OE1-CZ 3.93Å; E41-R304 VanDerWaalsContact OE1-CZ 3.29Å; E41-R304 IonicContact OE1-NE 2.82Å; E41-R304 PolarHBondContact OE1-NE 3.46Å; E41-R304 IonicContact OE1-NH2 3.77Å; E41-R304 PolarHBondContact OE1-NH2 2.97Å; E41-R304 IonicContact OE2-CZ 2.93Å; E41-R304 IonicContact OE2-NE 2.76Å; E41-R304 IonicContact OE2-NH2 3.06Å; E41-R304 PolarHBondContact OE2-NH2 3.37Å; E41-L308 HydrophobicContact CB-CD1 4.28Å; E41-L308 HydrophobicContact CG-CD1 3.97Å
42V96.3Very high95.7Very high0 Ų048.8 Ų48.80%025%0.253CS..Hα-helixtrans-61-48.8175.6169.90000110.9T38 D39 I40 W44 L45 L46 I85 F89 L305 L308T38-V42 WeakPolarHBondContact O-CG2 3.49Å; T38-V42 PolarHBondContact O-N 3.48Å; D39-V42 PolarHBondContact O-N 3.06Å; I40-V42 VanDerWaalsContact C-N 3.35Å; V42-W44 VanDerWaalsContact C-N 3.31Å; V42-W44 PolarHBondContact O-N 3.32Å; V42-L45 PolarHBondContact O-N 3.38Å; V42-L46 HydrophobicContact CG1-CD1 3.89Å; V42-L46 HydrophobicContact CG1-CG 4.42Å; V42-L46 VanDerWaalsContact O-CG 3.31Å; V42-L46 WeakPolarHBondContact O-CG 3.27Å; V42-L46 PolarHBondContact O-N 3.39Å; V42-I85 HydrophobicContact CG1-CG2 4.17Å; V42-F89 HydrophobicContact CB-CE1 4.42Å; V42-F89 HydrophobicContact CB-CE2 4.39Å; V42-F89 HydrophobicContact CB-CZ 4.18Å; V42-F89 HydrophobicContact CG1-CD2 4.09Å; V42-F89 HydrophobicContact CG1-CE2 4Å; V42-F89 HydrophobicContact CG1-CG 4.44Å; V42-F89 HydrophobicContact CG1-CZ 4.28Å; V42-F89 HydrophobicContact CG2-CE1 4.33Å; V42-F89 HydrophobicContact CG2-CE2 3.98Å; V42-F89 HydrophobicContact CG2-CZ 3.69Å; V42-L305 HydrophobicContact CB-CD2 4.48Å; V42-L305 HydrophobicContact CG1-CD2 4.13Å; V42-L305 HydrophobicContact CG2-CD2 4.43Å; V42-L308 HydrophobicContact CG2-CB 3.99Å; V42-L308 HydrophobicContact CG2-CD1 3.7Å; V42-L308 HydrophobicContact CG2-CG 4.46Å
43E95.7Very high95.9Very high100 Ų10048.4 Ų48.447%0.46725%0.251SS..Hα-helixtrans-57.9-43.8177.6-72-179177.200112.3D39 I40 L46 K47D39-E43 PolarHBondContact O-N 3.4Å; D39-E43 VanDerWaalsContact O-N 3.07Å; I40-E43 PolarHBondContact O-N 3.29Å; E43-L46 PolarHBondContact O-N 3.33Å; E43-K47 WeakPolarHBondContact O-CB 3.49Å; E43-K47 PolarHBondContact O-N 3.04Å
44W97.3Very high96.2Very high41 Ų4142.4 Ų42.416%0.15522%0.218CC..Hα-helixtrans-69.7-35.4-179.9-81.747.3000112.8L36 I40 E41 V42 K47 A48 I270 L273 Q274 D277L36-W44 HydrophobicContact CD1-CB 4.2Å; L36-W44 HydrophobicContact CD1-CD2 3.7Å; L36-W44 HydrophobicContact CD1-CE3 3.79Å; L36-W44 HydrophobicContact CD1-CG 3.89Å; L36-W44 HydrophobicContact CD1-CZ3 4.45Å; I40-W44 WeakPolarHBondContact O-CB 3.5Å; I40-W44 PolarHBondContact O-N 2.97Å; E41-W44 PolarHBondContact O-N 3.48Å; V42-W44 VanDerWaalsContact C-N 3.31Å; V42-W44 PolarHBondContact O-N 3.32Å; W44-K47 WeakPolarHBondContact O-CB 3.24Å; W44-K47 PolarHBondContact O-N 3.49Å; W44-A48 WeakPolarHBondContact O-CB 3.48Å; W44-A48 PolarHBondContact O-N 2.95Å; W44-I270 HydrophobicContact CB-CD1 3.41Å; W44-I270 VanDerWaalsContact CB-CD1 3.41Å; W44-I270 HydrophobicContact CD2-CD1 4.45Å; W44-I270 HydrophobicContact CE3-CD1 3.98Å; W44-I270 HydrophobicContact CE3-CG2 4.37Å; W44-I270 HydrophobicContact CG-CD1 4.29Å; W44-L273 HydrophobicContact CB-CD1 4.24Å; W44-L273 HydrophobicContact CD2-CD1 4.42Å; W44-L273 HydrophobicContact CE3-CB 3.5Å; W44-L273 HydrophobicContact CE3-CD1 3.86Å; W44-L273 HydrophobicContact CE3-CG 4.27Å; W44-L273 HydrophobicContact CH2-CB 4.42Å; W44-L273 HydrophobicContact CZ3-CB 3.4Å; W44-L273 VanDerWaalsContact CZ3-CB 3.4Å; W44-L273 WeakPolarHBondContact O-CD1 3.37Å; W44-Q274 HydrophobicContact CE3-CG 4.39Å; W44-Q274 HydrophobicContact CH2-CG 3.76Å; W44-Q274 HydrophobicContact CZ3-CB 4.21Å; W44-Q274 HydrophobicContact CZ3-CG 3.37Å; W44-D277 HydrophobicContact CH2-CB 4.36Å
45L98Very high96.6Very high0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-70.4-38.4175.1-71.5176.5000111.9E41 V42 K47 A48 V49 A266 I270 V301 R304 L305 L308E41-L45 HydrophobicContact CG-CD1 4.06Å; E41-L45 HydrophobicContact CG-CG 4.4Å; E41-L45 WeakPolarHBondContact O-CB 3.27Å; E41-L45 WeakPolarHBondContact O-CG 3.41Å; E41-L45 PolarHBondContact O-N 2.97Å; V42-L45 PolarHBondContact O-N 3.38Å; L45-K47 VanDerWaalsContact C-N 3.35Å; L45-A48 WeakPolarHBondContact O-CB 3.47Å; L45-A48 PolarHBondContact O-N 3.15Å; L45-V49 WeakPolarHBondContact O-CG2 3.39Å; L45-V49 PolarHBondContact O-N 3.2Å; L45-A266 HydrophobicContact CD1-CB 4.4Å; L45-A266 HydrophobicContact CD2-CB 3.71Å; L45-I270 HydrophobicContact CD2-CD1 4.05Å; L45-I270 HydrophobicContact CD2-CG1 4.11Å; L45-I270 HydrophobicContact CG-CD1 4.26Å; L45-V301 HydrophobicContact CB-CG1 4.07Å; L45-V301 HydrophobicContact CD2-CG1 4.21Å; L45-V301 HydrophobicContact CD2-CG2 4.36Å; L45-R304 HydrophobicContact CD1-CB 4.11Å; L45-R304 HydrophobicContact CD1-CG 3.5Å; L45-L305 HydrophobicContact CB-CD1 4.47Å; L45-L305 HydrophobicContact CB-CD2 3.74Å; L45-L305 HydrophobicContact CB-CG 4.06Å; L45-L305 HydrophobicContact CD1-CD2 4.17Å; L45-L305 HydrophobicContact CD1-CG 4.32Å; L45-L308 HydrophobicContact CD1-CD1 3.91Å
46L97.7Very high96.9Very high7 Ų731.4 Ų31.44%0.03717%0.167CC..Hα-helixtrans-63.7-42.4171.3-68.7168.4000111.2V42 E43 A48 V49 C50 L77 I85 M91 L93 L96 L305V42-L46 HydrophobicContact CG1-CD1 3.89Å; V42-L46 HydrophobicContact CG1-CG 4.42Å; V42-L46 VanDerWaalsContact O-CG 3.31Å; V42-L46 WeakPolarHBondContact O-CG 3.27Å; V42-L46 PolarHBondContact O-N 3.39Å; E43-L46 PolarHBondContact O-N 3.33Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.33Å; L46-V49 WeakPolarHBondContact O-CB 3.38Å; L46-V49 PolarHBondContact O-N 3.43Å; L46-C50 PolarHBondContact O-N 2.82Å; L46-L77 HydrophobicContact CD2-CD1 3.87Å; L46-I85 HydrophobicContact CD1-CG2 4.03Å; L46-I85 HydrophobicContact CD2-CD1 4.2Å; L46-M91 HydrophobicContact CD1-CE 3.63Å; L46-M91 HydrophobicContact CD1-SD 3.55Å; L46-M91 VanDerWaalsContact CD1-SD 3.55Å; L46-L93 HydrophobicContact CD1-CD1 4.42Å; L46-L93 HydrophobicContact CD1-CD2 4.11Å; L46-L93 HydrophobicContact CD2-CD1 4.05Å; L46-L93 HydrophobicContact CD2-CD2 4.27Å; L46-L96 HydrophobicContact CD2-CD1 4.48Å; L46-L96 HydrophobicContact CD2-CD2 4.06Å; L46-L305 HydrophobicContact CD2-CD1 4.09Å; L46-L305 HydrophobicContact CG-CD2 4.38Å
47K97.2Very high97Very high77 Ų7730.7 Ų30.734%0.33516%0.164SC..Hα-helixtrans-57.1-48.1170.4-179.8-178.3-80.9-172.80110.3E43 W44 L45 V49 C50 L51 L273 T285E43-K47 WeakPolarHBondContact O-CB 3.49Å; E43-K47 PolarHBondContact O-N 3.04Å; W44-K47 WeakPolarHBondContact O-CB 3.24Å; W44-K47 PolarHBondContact O-N 3.49Å; L45-K47 VanDerWaalsContact C-N 3.35Å; K47-V49 VanDerWaalsContact C-N 3.29Å; K47-V49 PolarHBondContact O-N 3.1Å; K47-C50 WeakPolarHBondContact O-CA 3.3Å; K47-C50 WeakPolarHBondContact O-CB 3.37Å; K47-C50 PolarHBondContact O-N 3.44Å; K47-L51 HydrophobicContact CG-CD1 4.17Å; K47-L51 HydrophobicContact CG-CG 4.48Å; K47-L51 WeakPolarHBondContact O-CG 3.35Å; K47-L51 PolarHBondContact O-N 3.48Å; K47-L273 HydrophobicContact CD-CD2 3.89Å; K47-L273 HydrophobicContact CG-CD2 4.39Å; K47-T285 WeakPolarHBondContact CD-O 3.41Å; K47-T285 PolarHBondContact NZ-OG1 3.31Å
48A98.4Very high97.1Very high0 Ų028.6 Ų28.60%015%0.153CC..Hα-helixtrans-57.1-39.9178.800000112.8W44 L45 L46 C50 L51 I52 A269 L273 F292W44-A48 WeakPolarHBondContact O-CB 3.48Å; W44-A48 PolarHBondContact O-N 2.95Å; L45-A48 WeakPolarHBondContact O-CB 3.47Å; L45-A48 PolarHBondContact O-N 3.15Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.33Å; A48-C50 VanDerWaalsContact C-N 3.29Å; A48-C50 PolarHBondContact O-N 3.28Å; A48-L51 PolarHBondContact O-N 3.4Å; A48-I52 WeakPolarHBondContact O-CG1 3.5Å; A48-I52 PolarHBondContact O-N 3.47Å; A48-A269 HydrophobicContact CB-CB 3.81Å; A48-L273 HydrophobicContact CB-CD1 4.14Å; A48-F292 HydrophobicContact CB-CD2 4.38Å; A48-F292 HydrophobicContact CB-CE2 3.88Å
49V98.5Very high97.2Very high0 Ų029.3 Ų29.30%018%0.176CC..Hα-helixtrans-54.7-47.5172.8171.60000110.6L45 L46 K47 L51 I52 P76 L77 L96 T98 L298 V301L45-V49 WeakPolarHBondContact O-CG2 3.39Å; L45-V49 PolarHBondContact O-N 3.2Å; L46-V49 WeakPolarHBondContact O-CB 3.38Å; L46-V49 PolarHBondContact O-N 3.43Å; K47-V49 VanDerWaalsContact C-N 3.29Å; K47-V49 PolarHBondContact O-N 3.1Å; V49-L51 PolarHBondContact O-N 2.83Å; V49-I52 PolarHBondContact O-N 2.78Å; V49-P76 HydrophobicContact CG1-CB 3.44Å; V49-P76 VanDerWaalsContact CG1-CB 3.44Å; V49-P76 HydrophobicContact CG1-CG 3.47Å; V49-P76 VanDerWaalsContact CG1-CG 3.47Å; V49-L77 HydrophobicContact CG2-CD2 4.27Å; V49-L96 HydrophobicContact CG1-CD1 4.3Å; V49-L96 HydrophobicContact CG1-CD2 4.24Å; V49-L96 HydrophobicContact CG1-CG 4.15Å; V49-T98 WeakPolarHBondContact O-CA 3.35Å; V49-L298 HydrophobicContact CG1-CD1 4.21Å; V49-L298 HydrophobicContact CG2-CD1 4.07Å; V49-V301 HydrophobicContact CG2-CG1 3.74Å
50C98.3Very high97.4Very high40 Ų4031.5 Ų31.527%0.2719%0.187SC..Hα-helixtrans-65.6-13.8177.7-62.90000114.6L46 K47 A48 L96 R97 A99 P287L46-C50 PolarHBondContact O-N 2.82Å; K47-C50 WeakPolarHBondContact O-CA 3.3Å; K47-C50 WeakPolarHBondContact O-CB 3.37Å; K47-C50 PolarHBondContact O-N 3.44Å; A48-C50 VanDerWaalsContact C-N 3.29Å; A48-C50 PolarHBondContact O-N 3.28Å; C50-L96 WeakPolarHBondContact SG-CD1 3.32Å; C50-R97 WeakPolarHBondContact CA-O 3.37Å; C50-A99 VanDerWaalsContact O-CB 3.28Å; C50-A99 WeakPolarHBondContact O-CB 3.37Å; C50-A99 PolarHBondContact O-N 3.34Å; C50-P287 WeakPolarHBondContact O-CG 3.48Å
51L98.7Very high97.5Very high1 Ų130 Ų301%0.00518%0.18CC..Hα-helixtrans-98.8-7.9178.6-55.5176.4000112.4K47 A48 V49 D53 L273 P287 L290 R291 F292K47-L51 HydrophobicContact CG-CD1 4.17Å; K47-L51 HydrophobicContact CG-CG 4.48Å; K47-L51 WeakPolarHBondContact O-CG 3.35Å; K47-L51 PolarHBondContact O-N 3.48Å; A48-L51 PolarHBondContact O-N 3.4Å; V49-L51 PolarHBondContact O-N 2.83Å; L51-D53 PolarHBondContact O-N 3.16Å; L51-L273 HydrophobicContact CD1-CD2 3.64Å; L51-L273 HydrophobicContact CD1-CG 4.46Å; L51-P287 HydrophobicContact CD2-CB 4.5Å; L51-P287 HydrophobicContact CD2-CG 4.04Å; L51-L290 HydrophobicContact CD1-CB 4.33Å; L51-L290 HydrophobicContact CD1-CD2 3.77Å; L51-L290 HydrophobicContact CD1-CG 3.99Å; L51-L290 WeakPolarHBondContact CD2-O 3.47Å; L51-R291 CarbonylContact O-C 3.51Å; L51-R291 WeakPolarHBondContact O-CA 3.39Å; L51-F292 HydrophobicContact CB-CD2 4.12Å; L51-F292 HydrophobicContact CB-CE2 4.29Å; L51-F292 HydrophobicContact CD1-CE2 4.25Å; L51-F292 HydrophobicContact CD1-CZ 4.43Å; L51-F292 PolarHBondContact O-N 3.03Å
52I98.8Very high97.6Very high0 Ų031.7 Ų31.70%019%0.192CC..EExtended strand (participates in β ladder)trans-71.4129.9-176.4-73.4167.6000111A48 V49 L54 T98 A99 A100 F292 L297 L298A48-I52 WeakPolarHBondContact O-CG1 3.5Å; A48-I52 PolarHBondContact O-N 3.47Å; V49-I52 PolarHBondContact O-N 2.78Å; I52-L54 HydrophobicContact CG2-CB 3.96Å; I52-L54 HydrophobicContact CG2-CD1 4.13Å; I52-T98 HydrophobicContact CB-CG2 4.12Å; I52-T98 HydrophobicContact CG2-CG2 4.12Å; I52-T98 WeakPolarHBondContact O-CB 3.29Å; I52-A99 WeakPolarHBondContact O-CB 3.34Å; I52-A99 PolarHBondContact O-N 2.9Å; I52-A100 PolarHBondContact O-N 3.49Å; I52-F292 HydrophobicContact CG1-CB 4.19Å; I52-F292 HydrophobicContact CG1-CD2 4.43Å; I52-L297 HydrophobicContact CD1-CD2 4.26Å; I52-L297 HydrophobicContact CD1-CG 4.25Å; I52-L297 HydrophobicContact CG1-CD2 4.2Å; I52-L298 HydrophobicContact CD1-CB 3.96Å; I52-L298 HydrophobicContact CD1-CD1 4.2Å
53D98.8Very high97.7Very high0 Ų034.9 Ų34.90%021%0.213CC..EExtended strand (participates in β ladder)trans-90.695.5156.6-77.410.8000106.6L51 T55 A100 K192 K258 R291 F292 A294L51-D53 PolarHBondContact O-N 3.16Å; D53-T55 PolarHBondContact O-N 3.12Å; D53-T55 VanDerWaalsContact O-N 3.1Å; D53-T55 PolarHBondContact O-OG1 3.46Å; D53-A100 CarbonylContact C-O 3.6Å; D53-A100 WeakPolarHBondContact CA-O 3.15Å; D53-A100 WeakPolarHBondContact OD1-CB 3.45Å; D53-K192 IonicContact OD2-NZ 2.64Å; D53-K258 WeakPolarHBondContact OD2-CE 3.46Å; D53-K258 IonicContact OD2-NZ 2.97Å; D53-K258 PolarHBondContact OD2-NZ 2.91Å; D53-R291 VanDerWaalsContact OD1-CD 3.29Å; D53-R291 WeakPolarHBondContact OD1-CD 3.4Å; D53-R291 IonicContact OD1-CZ 2.71Å; D53-R291 IonicContact OD1-NE 2.74Å; D53-R291 IonicContact OD1-NH1 3.37Å; D53-R291 PolarHBondContact OD1-NH1 2.94Å; D53-R291 IonicContact OD2-NH1 3.91Å; D53-F292 PolarHBondContact N-O 2.98Å; D53-A294 PolarHBondContact O-N 3.39Å
54L98.6Very high97.8Very high8 Ų832.3 Ų32.34%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-70.2111.1-172.9-169.364.6000109.3I52 L69 K72 A73 T98 A100 V101 C102 L298I52-L54 HydrophobicContact CG2-CB 3.96Å; I52-L54 HydrophobicContact CG2-CD1 4.13Å; L54-L69 HydrophobicContact CD2-CD1 3.96Å; L54-L69 HydrophobicContact CD2-CG 4.23Å; L54-L69 HydrophobicContact CG-CD1 3.69Å; L54-L69 HydrophobicContact CG-CG 4.25Å; L54-K72 HydrophobicContact CD2-CB 4.14Å; L54-K72 HydrophobicContact CD2-CG 4.14Å; L54-A73 HydrophobicContact CB-CB 4.42Å; L54-A73 HydrophobicContact CD2-CB 4Å; L54-T98 HydrophobicContact CB-CG2 4.4Å; L54-A100 PolarHBondContact N-O 3.16Å; L54-V101 CarbonylContact O-C 3.5Å; L54-V101 VanDerWaalsContact O-CA 3.25Å; L54-V101 WeakPolarHBondContact O-CA 3.49Å; L54-C102 PolarHBondContact O-N 3.26Å; L54-L298 HydrophobicContact CD1-CB 4.06Å; L54-L298 HydrophobicContact CD1-CD2 3.93Å; L54-L298 HydrophobicContact CD2-CD2 4.03Å
55T98.6Very high97.8Very high18 Ų1832.1 Ų32.111%0.1121%0.211CC..EExtended strand (participates in β ladder)trans-110.4134.1-161.3-56.60000112.2D53 L57 C102 A294 S295D53-T55 PolarHBondContact O-N 3.12Å; D53-T55 VanDerWaalsContact O-N 3.1Å; D53-T55 PolarHBondContact O-OG1 3.46Å; T55-L57 HydrophobicContact CG2-CD1 3.6Å; T55-L57 HydrophobicContact CG2-CG 3.64Å; T55-C102 WeakPolarHBondContact CA-O 3.43Å; T55-C102 HydrophobicContact CG2-CB 3.98Å; T55-C102 WeakPolarHBondContact OG1-CB 3.36Å; T55-A294 PolarHBondContact N-O 3.06Å; T55-S295 WeakPolarHBondContact O-CA 3.38Å; T55-S295 VanDerWaalsContact O-CB 3.24Å; T55-S295 WeakPolarHBondContact O-CB 3.48Å
56T98Very high97.8Very high26 Ų2632.1 Ų32.116%0.1621%0.211CC..  trans-130.1127.9157.2-165.10000109.6D61 V66 L69 C102 V103T56-D61 WeakPolarHBondContact CG2-OD1 3.5Å; T56-D61 PolarHBondContact OG1-OD1 2.85Å; T56-D61 PolarHBondContact OG1-OD2 3Å; T56-V66 HydrophobicContact CG2-CG2 4.08Å; T56-L69 HydrophobicContact CG2-CD1 4.41Å; T56-L69 HydrophobicContact CG2-CD2 3.81Å; T56-C102 PolarHBondContact N-O 3.29Å; T56-V103 HydrophobicContact CG2-CG1 4.15Å; T56-V103 WeakPolarHBondContact O-CA 3.41Å
57L97.3Very high97.9Very high12 Ų1235.4 Ų35.46%0.06323%0.226CC..  trans-142.347.8-176.2-67.6172.5000109T55 D61 V103 Y104 V128 F132 K227T55-L57 HydrophobicContact CG2-CD1 3.6Å; T55-L57 HydrophobicContact CG2-CG 3.64Å; L57-D61 PolarHBondContact N-OD2 3.35Å; L57-V103 VanDerWaalsContact CD2-C 3.47Å; L57-Y104 HydrophobicContact CB-CE2 3.96Å; L57-Y104 HydrophobicContact CD2-CD1 4.19Å; L57-Y104 HydrophobicContact CD2-CD2 4.03Å; L57-Y104 HydrophobicContact CD2-CE1 4.3Å; L57-Y104 HydrophobicContact CD2-CE2 4.16Å; L57-Y104 HydrophobicContact CD2-CG 4.04Å; L57-Y104 WeakPolarHBondContact O-CE2 3.43Å; L57-V128 HydrophobicContact CD1-CG1 3.7Å; L57-V128 HydrophobicContact CD2-CB 4.36Å; L57-V128 HydrophobicContact CD2-CG1 3.9Å; L57-V128 HydrophobicContact CD2-CG2 3.52Å; L57-V128 HydrophobicContact CG-CG1 4.47Å; L57-F132 HydrophobicContact CD1-CE1 4.1Å; L57-F132 HydrophobicContact CD1-CE2 4.26Å; L57-F132 HydrophobicContact CD1-CZ 3.64Å; L57-K227 WeakPolarHBondContact O-CE 3.48Å; L57-K227 PolarHBondContact O-NZ 3.29Å
58A95.9Very high97.9Very high32 Ų3239.5 Ų39.526%0.26424%0.239SC..  trans-98.9148.3-177.600000110.5D60 D61A58-D60 WeakPolarHBondContact CB-OD1 3.45Å; A58-D60 PolarHBondContact O-N 2.86Å; A58-D61 PolarHBondContact N-OD2 3.22Å; A58-D61 PolarHBondContact O-N 3.49Å
59G94.5Very high97.9Very high91 Ų9140.6 Ų40.694%0.93825%0.245SC*.THydrogen-bonded Turntrans-68.7-15.8179.700000113.4
60D96.7Very high97.9Very high125 Ų12540.6 Ų40.667%0.66825%0.245SC*.THydrogen-bonded Turntrans-10415.8178.463.3-25.6000112.9A58 T62A58-D60 WeakPolarHBondContact CB-OD1 3.45Å; A58-D60 PolarHBondContact O-N 2.86Å; D60-T62 PolarHBondContact O-N 2.86Å
61D98Very high97.9Very high21 Ų2140.6 Ų40.611%0.11224%0.244CC..  trans-61.3129.4174.5-80.6-35.6000111.5T56 L57 A58 N65 V66 Q107T56-D61 WeakPolarHBondContact CG2-OD1 3.5Å; T56-D61 PolarHBondContact OG1-OD1 2.85Å; T56-D61 PolarHBondContact OG1-OD2 3Å; L57-D61 PolarHBondContact N-OD2 3.35Å; A58-D61 PolarHBondContact N-OD2 3.22Å; A58-D61 PolarHBondContact O-N 3.49Å; D61-N65 PolarHBondContact OD1-ND2 3.05Å; D61-V66 HydrophobicContact CB-CG2 4.41Å; D61-Q107 PolarHBondContact O-NE2 3.45Å; D61-Q107 VanDerWaalsContact O-NE2 3.11Å
62T98.3Very high97.8Very high67 Ų6742.8 Ų42.841%0.41125%0.253SS..  trans-120.3162.5-179.859.50000110.5D60 A64 N65 V66D60-T62 PolarHBondContact O-N 2.86Å; T62-A64 PolarHBondContact O-N 2.95Å; T62-A64 VanDerWaalsContact O-N 3.08Å; T62-N65 PolarHBondContact N-OD1 3.4Å; T62-N65 PolarHBondContact O-N 2.89Å; T62-N65 PolarHBondContact O-OD1 2.9Å; T62-N65 PolarHBondContact OG1-N 3Å; T62-N65 PolarHBondContact OG1-OD1 2.67Å; T62-V66 WeakPolarHBondContact O-CG2 3.48Å; T62-V66 PolarHBondContact O-N 3.33Å; T62-V66 VanDerWaalsContact O-N 3.15Å
63P98.4Very high97.8Very high66 Ų6642.8 Ų42.843%0.42925%0.253SS..Hα-helixtrans-54.5-32.8173-2936.8000113.5Q67 T110P63-Q67 VanDerWaalsContact O-CB 3.31Å; P63-Q67 WeakPolarHBondContact O-CB 3.23Å; P63-Q67 VanDerWaalsContact O-CD 3.27Å; P63-Q67 WeakPolarHBondContact O-CG 3.44Å; P63-Q67 PolarHBondContact O-N 2.79Å; P63-T110 HydrophobicContact CB-CG2 4.03Å
64A98Very high97.7Very high46 Ų4643.1 Ų43.138%0.3826%0.256SS..Hα-helixtrans-70.6-43.7-178.400000113.5T62 R68T62-A64 PolarHBondContact O-N 2.95Å; T62-A64 VanDerWaalsContact O-N 3.08Å; A64-R68 PolarHBondContact O-N 3.35Å; A64-R68 PolarHBondContact O-NH1 3.23Å
65N97.3Very high97.6Very high38 Ų3847.3 Ų47.320%0.20328%0.275CS..Hα-helixtrans-74.1-34.6178.477.3-22.6000111.7D61 T62 R68 L69D61-N65 PolarHBondContact OD1-ND2 3.05Å; T62-N65 PolarHBondContact N-OD1 3.4Å; T62-N65 PolarHBondContact O-N 2.89Å; T62-N65 PolarHBondContact O-OD1 2.9Å; T62-N65 PolarHBondContact OG1-N 3Å; T62-N65 PolarHBondContact OG1-OD1 2.67Å; N65-R68 WeakPolarHBondContact O-CB 3.43Å; N65-R68 PolarHBondContact O-N 3.31Å; N65-L69 PolarHBondContact O-N 2.99Å
66V98.6Very high97.5Very high0 Ų046.6 Ų46.60%027%0.271CS..Hα-helixtrans-65.2-38.5173.31730000111.4T56 D61 T62 R68 L69 C70 V103 Q107 T110 C111T56-V66 HydrophobicContact CG2-CG2 4.08Å; D61-V66 HydrophobicContact CB-CG2 4.41Å; T62-V66 WeakPolarHBondContact O-CG2 3.48Å; T62-V66 PolarHBondContact O-N 3.33Å; T62-V66 VanDerWaalsContact O-N 3.15Å; V66-R68 VanDerWaalsContact C-N 3.34Å; V66-R68 PolarHBondContact O-N 2.64Å; V66-L69 VanDerWaalsContact O-CB 3.29Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 3.28Å; V66-C70 PolarHBondContact O-N 2.94Å; V66-C70 PolarHBondContact O-SG 2.96Å; V66-C70 VanDerWaalsContact O-SG 3.41Å; V66-V103 HydrophobicContact CG1-CG1 4.32Å; V66-Q107 HydrophobicContact CG1-CB 4.31Å; V66-Q107 HydrophobicContact CG2-CB 4Å; V66-Q107 HydrophobicContact CG2-CG 3.83Å; V66-T110 HydrophobicContact CB-CG2 4.15Å; V66-T110 HydrophobicContact CG1-CG2 3.88Å; V66-C111 WeakPolarHBondContact CG1-SG 3.33Å
67Q98.5Very high97.4Very high76 Ų7645.5 Ų45.536%0.35526%0.264SS..Hα-helixtrans-59.4-44.4171.9-80.8162.612.800111.9P63 L69 C70 V71 T110 T114P63-Q67 VanDerWaalsContact O-CB 3.31Å; P63-Q67 WeakPolarHBondContact O-CB 3.23Å; P63-Q67 VanDerWaalsContact O-CD 3.27Å; P63-Q67 WeakPolarHBondContact O-CG 3.44Å; P63-Q67 PolarHBondContact O-N 2.79Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 2.96Å; Q67-C70 WeakPolarHBondContact O-CB 3.33Å; Q67-C70 PolarHBondContact O-N 2.86Å; Q67-V71 WeakPolarHBondContact O-CG2 3.11Å; Q67-V71 PolarHBondContact O-N 2.85Å; Q67-T110 HydrophobicContact CG-CG2 4.1Å; Q67-T114 HydrophobicContact CB-CG2 4.41Å; Q67-T114 HydrophobicContact CG-CG2 4.17Å; Q67-T114 VanDerWaalsContact CG-OG1 3.27Å; Q67-T114 WeakPolarHBondContact CG-OG1 3.39Å
68R97.5Very high97.2Very high162 Ų16245.2 Ų45.261%0.61126%0.263SS*.Hα-helixtrans-62.2-39.7174.9-70.2-170.1-63.1-905.7112.1A64 N65 V66 C70 V71 K72A64-R68 PolarHBondContact O-N 3.35Å; A64-R68 PolarHBondContact O-NH1 3.23Å; N65-R68 WeakPolarHBondContact O-CB 3.43Å; N65-R68 PolarHBondContact O-N 3.31Å; V66-R68 VanDerWaalsContact C-N 3.34Å; V66-R68 PolarHBondContact O-N 2.64Å; R68-C70 VanDerWaalsContact C-N 3.35Å; R68-C70 PolarHBondContact O-N 3.36Å; R68-V71 PolarHBondContact O-N 2.98Å; R68-K72 WeakPolarHBondContact O-CB 2.99Å; R68-K72 PolarHBondContact O-N 2.66Å
69L98.2Very high97Very high24 Ų2450.9 Ų50.913%0.12628%0.284CS..Hα-helixtrans-56.7-48172.7-173.189.9000111L54 T56 N65 V66 Q67 V71 K72 A73 V101 V103L54-L69 HydrophobicContact CD2-CD1 3.96Å; L54-L69 HydrophobicContact CD2-CG 4.23Å; L54-L69 HydrophobicContact CG-CD1 3.69Å; L54-L69 HydrophobicContact CG-CG 4.25Å; T56-L69 HydrophobicContact CG2-CD1 4.41Å; T56-L69 HydrophobicContact CG2-CD2 3.81Å; N65-L69 PolarHBondContact O-N 2.99Å; V66-L69 VanDerWaalsContact O-CB 3.29Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 3.28Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 2.96Å; L69-V71 PolarHBondContact O-N 2.99Å; L69-K72 PolarHBondContact O-N 3.29Å; L69-A73 VanDerWaalsContact O-CB 3.27Å; L69-A73 WeakPolarHBondContact O-CB 3.32Å; L69-A73 PolarHBondContact O-N 3.19Å; L69-V101 HydrophobicContact CD2-CB 3.99Å; L69-V101 HydrophobicContact CD2-CG1 4.01Å; L69-V101 HydrophobicContact CG-CG1 4.27Å; L69-V103 HydrophobicContact CD2-CG1 3.92Å
70C98.6Very high96.7Very high0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-61.8-41.9177.5-68.40000112.7V66 Q67 R68 A73 A74 C111 T114 F115V66-C70 PolarHBondContact O-N 2.94Å; V66-C70 PolarHBondContact O-SG 2.96Å; V66-C70 VanDerWaalsContact O-SG 3.41Å; Q67-C70 WeakPolarHBondContact O-CB 3.33Å; Q67-C70 PolarHBondContact O-N 2.86Å; R68-C70 VanDerWaalsContact C-N 3.35Å; R68-C70 PolarHBondContact O-N 3.36Å; C70-A73 PolarHBondContact O-N 3.13Å; C70-A74 WeakPolarHBondContact O-CB 3.32Å; C70-A74 PolarHBondContact O-N 3.08Å; C70-C111 VanDerWaalsContact SG-SG 3.64Å; C70-T114 HydrophobicContact CB-CG2 3.6Å; C70-F115 HydrophobicContact CB-CD1 4.47Å; C70-F115 HydrophobicContact CB-CE1 3.93Å; C70-F115 HydrophobicContact CB-CE2 4.08Å; C70-F115 HydrophobicContact CB-CZ 3.71Å; C70-F115 WeakPolarHBondContact O-CE1 3.45Å; C70-F115 VanDerWaalsContact SG-CE2 3.54Å
71V97.6Very high96.6Very high40 Ų4042.8 Ų42.824%0.24222%0.223CC..Hα-helixtrans-62.4-47.5175.9174.10000110.5Q67 R68 L69 A73 A74 H75 L118Q67-V71 WeakPolarHBondContact O-CG2 3.11Å; Q67-V71 PolarHBondContact O-N 2.85Å; R68-V71 PolarHBondContact O-N 2.98Å; L69-V71 PolarHBondContact O-N 2.99Å; V71-A73 VanDerWaalsContact C-N 3.3Å; V71-A73 PolarHBondContact O-N 3.23Å; V71-A74 PolarHBondContact O-N 3.22Å; V71-H75 PolarHBondContact O-N 3.29Å; V71-L118 HydrophobicContact CG2-CD1 4.26Å; V71-L118 HydrophobicContact CG2-CD2 4.32Å
72K97.4Very high96.4Very high46 Ų4643.6 Ų43.620%0.223%0.226CC..Hα-helixtrans-66.2-31.5177.2-171.462.8170.3172.40112.1L54 R68 L69 H75 P76 L298 E302 F322L54-K72 HydrophobicContact CD2-CB 4.14Å; L54-K72 HydrophobicContact CD2-CG 4.14Å; R68-K72 WeakPolarHBondContact O-CB 2.99Å; R68-K72 PolarHBondContact O-N 2.66Å; L69-K72 PolarHBondContact O-N 3.29Å; K72-H75 CarbonylContact O-C 3.57Å; K72-H75 VanDerWaalsContact O-O 3.12Å; K72-P76 VanDerWaalsContact CE-O 3.27Å; K72-P76 WeakPolarHBondContact CE-O 3.25Å; K72-P76 PolarHBondContact NZ-O 3.11Å; K72-P76 WeakPolarHBondContact O-CA 3.48Å; K72-L298 HydrophobicContact CD-CD2 4.28Å; K72-L298 HydrophobicContact CG-CD2 3.8Å; K72-E302 IonicContact NZ-OE1 2.56Å; K72-E302 PolarHBondContact NZ-OE1 3.28Å; K72-E302 IonicContact NZ-OE2 2.71Å; K72-E302 PolarHBondContact NZ-OE2 3.22Å; K72-F322 HydrophobicContact CD-CD2 4.01Å; K72-F322 HydrophobicContact CD-CE2 4.19Å
73A98.2Very high96.1Very high0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-67.8-37.9174.700000112.5L54 L69 C70 V71 T98 V101 F115 F123L54-A73 HydrophobicContact CB-CB 4.42Å; L54-A73 HydrophobicContact CD2-CB 4Å; L69-A73 VanDerWaalsContact O-CB 3.27Å; L69-A73 WeakPolarHBondContact O-CB 3.32Å; L69-A73 PolarHBondContact O-N 3.19Å; C70-A73 PolarHBondContact O-N 3.13Å; V71-A73 VanDerWaalsContact C-N 3.3Å; V71-A73 PolarHBondContact O-N 3.23Å; A73-T98 VanDerWaalsContact CA-OG1 3.25Å; A73-T98 WeakPolarHBondContact CA-OG1 3.35Å; A73-T98 VanDerWaalsContact CB-OG1 3.22Å; A73-T98 WeakPolarHBondContact CB-OG1 3.43Å; A73-T98 PolarHBondContact O-N 2.81Å; A73-T98 PolarHBondContact O-OG1 3.33Å; A73-T98 VanDerWaalsContact O-OG1 3.06Å; A73-V101 HydrophobicContact CB-CG1 3.44Å; A73-V101 VanDerWaalsContact CB-CG1 3.44Å; A73-F115 HydrophobicContact CB-CZ 4.32Å; A73-F123 HydrophobicContact CB-CE1 4.12Å; A73-F123 HydrophobicContact CB-CZ 3.84Å
74A97.7Very high95.8Very high7 Ų745.9 Ų45.96%0.05823%0.228CC..Hα-helixtrans-76.1-30.217600000113C70 V71 F115 L118 L120C70-A74 WeakPolarHBondContact O-CB 3.32Å; C70-A74 PolarHBondContact O-N 3.08Å; V71-A74 PolarHBondContact O-N 3.22Å; A74-F115 HydrophobicContact CB-CE1 4.48Å; A74-L118 HydrophobicContact CB-CD1 4.09Å; A74-L120 HydrophobicContact CB-CD1 3.69Å
75H96.2Very high95.6Very high96 Ų9643.7 Ų43.744%0.44421%0.21SC..SBendtrans-130.779.1179.8-55.1-69.2000109.4V71 K72 L77 F322V71-H75 PolarHBondContact O-N 3.29Å; K72-H75 CarbonylContact O-C 3.57Å; K72-H75 VanDerWaalsContact O-O 3.12Å; H75-L77 PolarHBondContact O-N 3.36Å; H75-F322 HydrophobicContact CB-CE1 3.37Å; H75-F322 HydrophobicContact CB-CZ 3.39Å; H75-F322 WeakPolarHBondContact O-CE2 3.5Å; H75-F322 WeakPolarHBondContact O-CZ 3.3Å
76P96.8Very high95.4Very high4 Ų444.6 Ų44.63%0.02621%0.213CC..  trans-71.3-28.2-168.624.2-32.8000114.5V49 K72 L96 T98 L298V49-P76 HydrophobicContact CG1-CB 3.44Å; V49-P76 VanDerWaalsContact CG1-CB 3.44Å; V49-P76 HydrophobicContact CG1-CG 3.47Å; V49-P76 VanDerWaalsContact CG1-CG 3.47Å; K72-P76 VanDerWaalsContact CE-O 3.27Å; K72-P76 WeakPolarHBondContact CE-O 3.25Å; K72-P76 PolarHBondContact NZ-O 3.11Å; K72-P76 WeakPolarHBondContact O-CA 3.48Å; P76-L96 WeakPolarHBondContact CD-O 3.36Å; P76-L96 HydrophobicContact CG-CD2 4.04Å; P76-L96 HydrophobicContact CG-CG 3.99Å; P76-T98 HydrophobicContact CB-CG2 4.14Å; P76-L298 HydrophobicContact CB-CD1 3.78Å; P76-L298 HydrophobicContact CB-CD2 4.11Å
77L95.5Very high95.1Very high2 Ų251 Ų511%0.0125%0.247CC..SBendtrans-119.8144.9-175.1-56.7-176.6000110.9L46 V49 H75 V81 L82 L96 E302 L305 F322L46-L77 HydrophobicContact CD2-CD1 3.87Å; V49-L77 HydrophobicContact CG2-CD2 4.27Å; H75-L77 PolarHBondContact O-N 3.36Å; L77-V81 HydrophobicContact CD1-CG1 4.29Å; L77-L82 HydrophobicContact CB-CD1 4.42Å; L77-L82 HydrophobicContact CB-CD2 3.92Å; L77-L82 HydrophobicContact CB-CG 3.84Å; L77-L82 HydrophobicContact CD1-CD2 4.04Å; L77-L82 HydrophobicContact CG-CD2 4.48Å; L77-L82 WeakPolarHBondContact O-CD1 3.45Å; L77-L96 HydrophobicContact CD1-CD2 3.42Å; L77-L96 VanDerWaalsContact CD1-CD2 3.42Å; L77-L96 HydrophobicContact CG-CD2 3.81Å; L77-E302 WeakPolarHBondContact CA-OE1 3.29Å; L77-E302 HydrophobicContact CD2-CB 3.8Å; L77-E302 HydrophobicContact CD2-CG 3.87Å; L77-L305 HydrophobicContact CD1-CD1 3.76Å; L77-L305 HydrophobicContact CD2-CD1 3.98Å; L77-F322 WeakPolarHBondContact O-CE2 3.18Å; L77-F322 VanDerWaalsContact O-CZ 3.3Å; L77-F322 WeakPolarHBondContact O-CZ 3.21Å
78S93.5Very high94.7Very high6 Ų650.4 Ų50.44%0.04226%0.255CS..  trans-64.7152.8174.967.70000111.7C80 V81 L82 E302S78-C80 PolarHBondContact O-N 2.91Å; S78-C80 PolarHBondContact OG-SG 2.8Å; S78-V81 PolarHBondContact O-N 3.49Å; S78-V81 VanDerWaalsContact O-N 3.14Å; S78-V81 WeakPolarHBondContact OG-CG2 3.47Å; S78-L82 WeakPolarHBondContact O-CG 3.27Å; S78-L82 PolarHBondContact O-N 3.02Å; S78-E302 WeakPolarHBondContact CB-OE1 3.25Å; S78-E302 PolarHBondContact N-OE1 2.99Å
79E90.8Very high94.3Very high151 Ų15145.6 Ų45.671%0.70624%0.239SC*.Hα-helixtrans-58.8-35.5-179.3-69.1-172.2171.700112.4V81 L82 N83E79-V81 PolarHBondContact O-N 2.84Å; E79-L82 PolarHBondContact O-N 3.32Å; E79-N83 VanDerWaalsContact O-CB 3.25Å; E79-N83 WeakPolarHBondContact O-CB 3.33Å; E79-N83 PolarHBondContact O-N 2.69Å; E79-N83 PolarHBondContact O-ND2 3Å
80C89.8Confident93.9Very high47 Ų4750 Ų5032%0.31827%0.271SS..Hα-helixtrans-64.7-40179.169.10000111.8S78 K84 E319S78-C80 PolarHBondContact O-N 2.91Å; S78-C80 PolarHBondContact OG-SG 2.8Å; C80-K84 VanDerWaalsContact O-CB 3.27Å; C80-K84 WeakPolarHBondContact O-CB 3.39Å; C80-K84 PolarHBondContact O-N 2.8Å; C80-E319 PolarHBondContact SG-O 2.96Å
81V93.7Very high93.4Very high0 Ų053 Ų530%029%0.286CS..Hα-helixtrans-70.4-47.8176.4174.30000110.3L77 S78 E79 K84 I85 E302 L305 Y306 L320L77-V81 HydrophobicContact CD1-CG1 4.29Å; S78-V81 PolarHBondContact O-N 3.49Å; S78-V81 VanDerWaalsContact O-N 3.14Å; S78-V81 WeakPolarHBondContact OG-CG2 3.47Å; E79-V81 PolarHBondContact O-N 2.84Å; V81-K84 PolarHBondContact O-N 3.26Å; V81-I85 HydrophobicContact CG1-CD1 3.62Å; V81-I85 HydrophobicContact CG1-CG1 4.38Å; V81-I85 WeakPolarHBondContact O-CG1 3.41Å; V81-I85 PolarHBondContact O-N 2.83Å; V81-E302 HydrophobicContact CG2-CG 4.47Å; V81-L305 HydrophobicContact CG1-CB 4.03Å; V81-Y306 HydrophobicContact CG2-CD2 3.88Å; V81-Y306 HydrophobicContact CG2-CG 4.42Å; V81-L320 HydrophobicContact CG2-CD2 3.68Å
82L93.5Very high93.1Very high37 Ų3756.9 Ų56.919%0.19431%0.306CS..Hα-helixtrans-55.7-57.6178.8-73.9171.1000111.2L77 S78 E79 K84 I85 E86 L93 L96L77-L82 HydrophobicContact CB-CD1 4.42Å; L77-L82 HydrophobicContact CB-CD2 3.92Å; L77-L82 HydrophobicContact CB-CG 3.84Å; L77-L82 HydrophobicContact CD1-CD2 4.04Å; L77-L82 HydrophobicContact CG-CD2 4.48Å; L77-L82 WeakPolarHBondContact O-CD1 3.45Å; S78-L82 WeakPolarHBondContact O-CG 3.27Å; S78-L82 PolarHBondContact O-N 3.02Å; E79-L82 PolarHBondContact O-N 3.32Å; L82-K84 PolarHBondContact O-N 3.23Å; L82-I85 PolarHBondContact O-N 3.41Å; L82-I85 VanDerWaalsContact O-N 3.11Å; L82-E86 WeakPolarHBondContact O-CG 3.29Å; L82-E86 PolarHBondContact O-N 3.27Å; L82-L93 HydrophobicContact CD2-CB 3.77Å; L82-L93 HydrophobicContact CD2-CD1 3.9Å; L82-L96 HydrophobicContact CD2-CD2 4.06Å
83N91.6Very high92.9Very high84 Ų8455.3 Ų55.345%0.44930%0.299SS..Hα-helixtrans-57.7-37.7-178.5-71.3-31.8000111.8E79 N87E79-N83 VanDerWaalsContact O-CB 3.25Å; E79-N83 WeakPolarHBondContact O-CB 3.33Å; E79-N83 PolarHBondContact O-N 2.69Å; E79-N83 PolarHBondContact O-ND2 3Å; N83-N87 WeakPolarHBondContact O-CB 3.28Å; N83-N87 VanDerWaalsContact O-CG 3.3Å; N83-N87 PolarHBondContact O-N 2.83Å; N83-N87 PolarHBondContact O-ND2 3.05Å
84K92.5Very high92.5Very high97 Ų9763.1 Ų63.142%0.42234%0.336SS..Hα-helixtrans-68.9-43.2179.9-168.469.7173.3-176.40111.6C80 V81 L82 A88 C309C80-K84 VanDerWaalsContact O-CB 3.27Å; C80-K84 WeakPolarHBondContact O-CB 3.39Å; C80-K84 PolarHBondContact O-N 2.8Å; V81-K84 PolarHBondContact O-N 3.26Å; L82-K84 PolarHBondContact O-N 3.23Å; K84-A88 WeakPolarHBondContact O-CB 3.14Å; K84-A88 PolarHBondContact O-N 2.97Å; K84-C309 HydrophobicContact CB-CB 4.32Å; K84-C309 WeakPolarHBondContact CE-O 3.5Å; K84-C309 HydrophobicContact CG-CB 3.58Å
85I93.9Very high92.2Very high0 Ų068.2 Ų68.20%036%0.362CS..Hα-helixtrans-66.2-47.8178.2-67.2168.9000110.6V42 L46 V81 L82 N87 A88 F89 M91 L93 L305 C309V42-I85 HydrophobicContact CG1-CG2 4.17Å; L46-I85 HydrophobicContact CD1-CG2 4.03Å; L46-I85 HydrophobicContact CD2-CD1 4.2Å; V81-I85 HydrophobicContact CG1-CD1 3.62Å; V81-I85 HydrophobicContact CG1-CG1 4.38Å; V81-I85 WeakPolarHBondContact O-CG1 3.41Å; V81-I85 PolarHBondContact O-N 2.83Å; L82-I85 PolarHBondContact O-N 3.41Å; L82-I85 VanDerWaalsContact O-N 3.11Å; I85-N87 VanDerWaalsContact C-N 3.27Å; I85-N87 PolarHBondContact O-N 3.16Å; I85-A88 PolarHBondContact O-N 3.36Å; I85-F89 HydrophobicContact CB-CD2 4.43Å; I85-F89 HydrophobicContact CG2-CD2 3.91Å; I85-F89 WeakPolarHBondContact O-CB 3.27Å; I85-F89 WeakPolarHBondContact O-CD2 3.08Å; I85-F89 PolarHBondContact O-N 2.92Å; I85-M91 HydrophobicContact CG2-SD 4.31Å; I85-L93 HydrophobicContact CB-CD1 4.03Å; I85-L93 HydrophobicContact CG2-CD1 3.67Å; I85-L305 HydrophobicContact CD1-CB 4.19Å; I85-L305 HydrophobicContact CD1-CD1 4.34Å; I85-L305 HydrophobicContact CD1-CD2 4.03Å; I85-L305 HydrophobicContact CD1-CG 4.43Å; I85-C309 WeakPolarHBondContact CG1-SG 3.43Å
86E93.8Very high92.3Very high57 Ų5764.6 Ų64.627%0.26635%0.346SS..Hα-helixtrans-57-43.6-179.8-68.3-171.7144.800111.3L82 S90 M91 L93L82-E86 WeakPolarHBondContact O-CG 3.29Å; L82-E86 PolarHBondContact O-N 3.27Å; E86-S90 VanDerWaalsContact O-CA 3.23Å; E86-S90 WeakPolarHBondContact O-CA 3.35Å; E86-S90 PolarHBondContact O-N 3.31Å; E86-M91 WeakPolarHBondContact CB-O 3.43Å; E86-M91 VanDerWaalsContact CG-O 3.31Å; E86-M91 WeakPolarHBondContact CG-O 3.37Å; E86-L93 HydrophobicContact CG-CB 4.19Å; E86-L93 HydrophobicContact CG-CD1 4.07Å; E86-L93 HydrophobicContact CG-CG 4Å; E86-L93 PolarHBondContact OE1-N 3.32Å
87N91.9Very high92.3Very high136 Ų13668.2 Ų68.273%0.72736%0.359SS*.Hα-helixtrans-70.1-40.3177-74.2-50.2000113.5N83 I85N83-N87 WeakPolarHBondContact O-CB 3.28Å; N83-N87 VanDerWaalsContact O-CG 3.3Å; N83-N87 PolarHBondContact O-N 2.83Å; N83-N87 PolarHBondContact O-ND2 3.05Å; I85-N87 VanDerWaalsContact C-N 3.27Å; I85-N87 PolarHBondContact O-N 3.16Å
88A90.5Very high92.5Very high62 Ų6268.2 Ų68.251%0.51236%0.359SS..Hα-helixtrans-77.6-34-175.500000113.2K84 I85K84-A88 WeakPolarHBondContact O-CB 3.14Å; K84-A88 PolarHBondContact O-N 2.97Å; I85-A88 PolarHBondContact O-N 3.36Å
89F89Confident92.7Very high62 Ų6268.3 Ų68.327%0.27236%0.361SS..Hα-helixtrans-115.91-172.2-60.7-83.7000113.6D39 V42 I85 M91D39-F89 HydrophobicContact CB-CE1 4.21Å; V42-F89 HydrophobicContact CB-CE1 4.42Å; V42-F89 HydrophobicContact CB-CE2 4.39Å; V42-F89 HydrophobicContact CB-CZ 4.18Å; V42-F89 HydrophobicContact CG1-CD2 4.09Å; V42-F89 HydrophobicContact CG1-CE2 4Å; V42-F89 HydrophobicContact CG1-CG 4.44Å; V42-F89 HydrophobicContact CG1-CZ 4.28Å; V42-F89 HydrophobicContact CG2-CE1 4.33Å; V42-F89 HydrophobicContact CG2-CE2 3.98Å; V42-F89 HydrophobicContact CG2-CZ 3.69Å; I85-F89 HydrophobicContact CB-CD2 4.43Å; I85-F89 HydrophobicContact CG2-CD2 3.91Å; I85-F89 WeakPolarHBondContact O-CB 3.27Å; I85-F89 WeakPolarHBondContact O-CD2 3.08Å; I85-F89 PolarHBondContact O-N 2.92Å; F89-M91 VanDerWaalsContact C-N 3.29Å; F89-M91 HydrophobicContact CB-CG 3.9Å; F89-M91 HydrophobicContact CB-SD 4.02Å; F89-M91 PolarHBondContact O-N 3.46Å
90S89.3Confident93.1Very high116 Ų11661.1 Ų61.181%0.81133%0.327SS*.  trans55.841.4180-55.30000113.2E86E86-S90 VanDerWaalsContact O-CA 3.23Å; E86-S90 WeakPolarHBondContact O-CA 3.35Å; E86-S90 PolarHBondContact O-N 3.31Å
91M89Confident93.5Very high62 Ų6258.9 Ų58.931%0.30531%0.312SS..  trans-102.3153.2179.7-60.2-1788000111L46 I85 E86 F89 L93L46-M91 HydrophobicContact CD1-CE 3.63Å; L46-M91 HydrophobicContact CD1-SD 3.55Å; L46-M91 VanDerWaalsContact CD1-SD 3.55Å; I85-M91 HydrophobicContact CG2-SD 4.31Å; E86-M91 WeakPolarHBondContact CB-O 3.43Å; E86-M91 VanDerWaalsContact CG-O 3.31Å; E86-M91 WeakPolarHBondContact CG-O 3.37Å; F89-M91 VanDerWaalsContact C-N 3.29Å; F89-M91 HydrophobicContact CB-CG 3.9Å; F89-M91 HydrophobicContact CB-SD 4.02Å; F89-M91 PolarHBondContact O-N 3.46Å; M91-L93 HydrophobicContact CB-CD2 4.19Å; M91-L93 HydrophobicContact CB-CG 4.3Å; M91-L93 HydrophobicContact CE-CD2 4.41Å
92N90.7Very high93.8Very high122 Ų12258.9 Ų58.965%0.65231%0.312SS*.  trans-104.4116.6167178.9-10.7000108.7Q94N92-Q94 VanDerWaalsContact OD1-CB 3.29Å; N92-Q94 WeakPolarHBondContact OD1-CB 3.38Å; N92-Q94 PolarHBondContact OD1-N 3.22Å
93L94Very high94Very high14 Ų1457.1 Ų57.17%0.07330%0.303CS..  trans-114.113.6-176.2-57.7179.9000112.8L46 L82 I85 E86 M91 D95 L96L46-L93 HydrophobicContact CD1-CD1 4.42Å; L46-L93 HydrophobicContact CD1-CD2 4.11Å; L46-L93 HydrophobicContact CD2-CD1 4.05Å; L46-L93 HydrophobicContact CD2-CD2 4.27Å; L82-L93 HydrophobicContact CD2-CB 3.77Å; L82-L93 HydrophobicContact CD2-CD1 3.9Å; I85-L93 HydrophobicContact CB-CD1 4.03Å; I85-L93 HydrophobicContact CG2-CD1 3.67Å; E86-L93 HydrophobicContact CG-CB 4.19Å; E86-L93 HydrophobicContact CG-CD1 4.07Å; E86-L93 HydrophobicContact CG-CG 4Å; E86-L93 PolarHBondContact OE1-N 3.32Å; M91-L93 HydrophobicContact CB-CD2 4.19Å; M91-L93 HydrophobicContact CB-CG 4.3Å; M91-L93 HydrophobicContact CE-CD2 4.41Å; L93-D95 PolarHBondContact O-N 2.76Å; L93-L96 HydrophobicContact CB-CB 4.25Å; L93-L96 WeakPolarHBondContact O-CB 3.28Å; L93-L96 PolarHBondContact O-N 2.86Å
94Q89Confident94.3Very high164 Ų16456.2 Ų56.277%0.76629%0.293SS*.THydrogen-bonded Turntrans-57.2-34.7-178.1-175.3178.93.200113.1N92N92-Q94 VanDerWaalsContact OD1-CB 3.29Å; N92-Q94 WeakPolarHBondContact OD1-CB 3.38Å; N92-Q94 PolarHBondContact OD1-N 3.22Å
95D92.1Very high94.6Very high113 Ų11353 Ų5360%0.60428%0.282SS*.THydrogen-bonded Turntrans-95.53.9-178.8-77.6-50000113.8L93 R97L93-D95 PolarHBondContact O-N 2.76Å; D95-R97 PolarHBondContact O-N 2.86Å; D95-R97 PolarHBondContact O-NE 3.43Å; D95-R97 PolarHBondContact O-NH2 3.15Å; D95-R97 IonicContact OD1-NH2 3.7Å; D95-R97 PolarHBondContact OD1-NH2 3.07Å
96L96.7Very high94.7Very high20 Ų2062.2 Ų62.211%0.10532%0.318CS..  trans-62118.9-179.7-173.978.9000109.8L46 V49 C50 P76 L77 L82 L93L46-L96 HydrophobicContact CD2-CD1 4.48Å; L46-L96 HydrophobicContact CD2-CD2 4.06Å; V49-L96 HydrophobicContact CG1-CD1 4.3Å; V49-L96 HydrophobicContact CG1-CD2 4.24Å; V49-L96 HydrophobicContact CG1-CG 4.15Å; C50-L96 WeakPolarHBondContact SG-CD1 3.32Å; P76-L96 WeakPolarHBondContact CD-O 3.36Å; P76-L96 HydrophobicContact CG-CD2 4.04Å; P76-L96 HydrophobicContact CG-CG 3.99Å; L77-L96 HydrophobicContact CD1-CD2 3.42Å; L77-L96 VanDerWaalsContact CD1-CD2 3.42Å; L77-L96 HydrophobicContact CG-CD2 3.81Å; L82-L96 HydrophobicContact CD2-CD2 4.06Å; L93-L96 HydrophobicContact CB-CB 4.25Å; L93-L96 WeakPolarHBondContact O-CB 3.28Å; L93-L96 PolarHBondContact O-N 2.86Å
97R97.6Very high95Very high80 Ų8059.8 Ų59.830%0.30231%0.307SS..  trans-150.2158.7179.473-163.686.3-169.45.3109.5C50 D95 L120 F123C50-R97 WeakPolarHBondContact CA-O 3.37Å; D95-R97 PolarHBondContact O-N 2.86Å; D95-R97 PolarHBondContact O-NE 3.43Å; D95-R97 PolarHBondContact O-NH2 3.15Å; D95-R97 IonicContact OD1-NH2 3.7Å; D95-R97 PolarHBondContact OD1-NH2 3.07Å; R97-L120 VanDerWaalsContact NH1-CD2 3.31Å; R97-F123 HydrophobicContact CB-CE2 4.04Å; R97-F123 HydrophobicContact CG-CE2 3.97Å
98T98.6Very high95.3Very high2 Ų253.3 Ų53.31%0.01227%0.272CS..  trans-67.3159.9171.660.70000111.3V49 I52 L54 A73 P76 F123 L298V49-T98 WeakPolarHBondContact O-CA 3.35Å; I52-T98 HydrophobicContact CB-CG2 4.12Å; I52-T98 HydrophobicContact CG2-CG2 4.12Å; I52-T98 WeakPolarHBondContact O-CB 3.29Å; L54-T98 HydrophobicContact CB-CG2 4.4Å; A73-T98 VanDerWaalsContact CA-OG1 3.25Å; A73-T98 WeakPolarHBondContact CA-OG1 3.35Å; A73-T98 VanDerWaalsContact CB-OG1 3.22Å; A73-T98 WeakPolarHBondContact CB-OG1 3.43Å; A73-T98 PolarHBondContact O-N 2.81Å; A73-T98 PolarHBondContact O-OG1 3.33Å; A73-T98 VanDerWaalsContact O-OG1 3.06Å; P76-T98 HydrophobicContact CB-CG2 4.14Å; T98-F123 VanDerWaalsContact O-CZ 3.27Å; T98-F123 WeakPolarHBondContact O-CZ 3.44Å; T98-L298 HydrophobicContact CG2-CD2 4.22Å
99A98.6Very high95.7Very high9 Ų955.8 Ų55.87%0.07427%0.271CS..SBendtrans-65.8-41.5-176.500000112.5C50 I52 N124 P287 R291C50-A99 VanDerWaalsContact O-CB 3.28Å; C50-A99 WeakPolarHBondContact O-CB 3.37Å; C50-A99 PolarHBondContact O-N 3.34Å; I52-A99 WeakPolarHBondContact O-CB 3.34Å; I52-A99 PolarHBondContact O-N 2.9Å; A99-N124 WeakPolarHBondContact O-CB 3.37Å; A99-N124 PolarHBondContact O-ND2 2.98Å; A99-P287 HydrophobicContact CB-CB 4.29Å; A99-R291 VanDerWaalsContact CB-CD 3.48Å
100A98.8Very high96.1Very high0 Ų053.7 Ų53.70%026%0.264CS..EExtended strand (participates in β ladder)trans-158.8170.1-178.900000110.8I52 D53 L54 N124I52-A100 PolarHBondContact O-N 3.49Å; D53-A100 CarbonylContact C-O 3.6Å; D53-A100 WeakPolarHBondContact CA-O 3.15Å; D53-A100 WeakPolarHBondContact OD1-CB 3.45Å; L54-A100 PolarHBondContact N-O 3.16Å; A100-N124 VanDerWaalsContact CA-O 3.28Å; A100-N124 WeakPolarHBondContact CA-O 3.25Å; A100-N124 HydrophobicContact CB-CB 3.63Å; A100-N124 WeakPolarHBondContact CB-O 3.47Å
101V98.9Very high96.6Very high0 Ų048.1 Ų48.10%023%0.225CC..EExtended strand (participates in β ladder)trans-101.2153.7156.3-66.80000109.7L54 L69 A73 C111 F115 F123 N124 I125 A126L54-V101 CarbonylContact O-C 3.5Å; L54-V101 VanDerWaalsContact O-CA 3.25Å; L54-V101 WeakPolarHBondContact O-CA 3.49Å; L69-V101 HydrophobicContact CD2-CB 3.99Å; L69-V101 HydrophobicContact CD2-CG1 4.01Å; L69-V101 HydrophobicContact CG-CG1 4.27Å; A73-V101 HydrophobicContact CB-CG1 3.44Å; A73-V101 VanDerWaalsContact CB-CG1 3.44Å; V101-C111 HydrophobicContact CG2-CB 4.29Å; V101-F115 HydrophobicContact CG1-CE2 4.17Å; V101-F115 HydrophobicContact CG1-CZ 3.8Å; V101-F115 HydrophobicContact CG2-CE2 3.72Å; V101-F115 HydrophobicContact CG2-CZ 4.22Å; V101-F123 HydrophobicContact CG1-CE1 4.22Å; V101-N124 PolarHBondContact N-O 3.46Å; V101-N124 VanDerWaalsContact N-O 3.08Å; V101-I125 HydrophobicContact CG2-CB 4.4Å; V101-I125 HydrophobicContact CG2-CG1 4.17Å; V101-I125 HydrophobicContact CG2-CG2 4.24Å; V101-A126 WeakPolarHBondContact O-CA 3.46Å; V101-A126 WeakPolarHBondContact O-CB 3.46Å; V101-A126 PolarHBondContact O-N 2.66Å
102C98.8Very high97Very high0 Ų046.7 Ų46.70%022%0.223CC..EExtended strand (participates in β ladder)trans-128121.6172.9-171.50000111L54 T55 T56 A126L54-C102 PolarHBondContact O-N 3.26Å; T55-C102 WeakPolarHBondContact CA-O 3.43Å; T55-C102 HydrophobicContact CG2-CB 3.98Å; T55-C102 WeakPolarHBondContact OG1-CB 3.36Å; T56-C102 PolarHBondContact N-O 3.29Å; C102-A126 VanDerWaalsContact CA-O 3.3Å; C102-A126 WeakPolarHBondContact CA-O 3.3Å; C102-A126 HydrophobicContact CB-CB 4.09Å
103V98.8Very high97.4Very high0 Ų045.3 Ų45.30%021%0.213CC..EExtended strand (participates in β ladder)trans-136.6172.7-174.2-62.10000112.5T56 L57 V66 L69 Q107 V108 A126 S127 V128T56-V103 HydrophobicContact CG2-CG1 4.15Å; T56-V103 WeakPolarHBondContact O-CA 3.41Å; L57-V103 VanDerWaalsContact CD2-C 3.47Å; V66-V103 HydrophobicContact CG1-CG1 4.32Å; L69-V103 HydrophobicContact CD2-CG1 3.92Å; V103-Q107 HydrophobicContact CB-CB 4.05Å; V103-Q107 HydrophobicContact CG2-CB 4.12Å; V103-V108 HydrophobicContact CG2-CG2 4.06Å; V103-A126 PolarHBondContact N-O 3.35Å; V103-S127 WeakPolarHBondContact O-CA 3.22Å; V103-S127 PolarHBondContact O-OG 3.07Å; V103-V128 PolarHBondContact O-N 2.6Å
104Y98.3Very high97.6Very high65 Ų6545.1 Ų45.126%0.25521%0.212SC..  trans-71.5154.6166.1-79.5-65.2000111.7L57 Y106 Q107 V128 F132L57-Y104 HydrophobicContact CB-CE2 3.96Å; L57-Y104 HydrophobicContact CD2-CD1 4.19Å; L57-Y104 HydrophobicContact CD2-CD2 4.03Å; L57-Y104 HydrophobicContact CD2-CE1 4.3Å; L57-Y104 HydrophobicContact CD2-CE2 4.16Å; L57-Y104 HydrophobicContact CD2-CG 4.04Å; L57-Y104 WeakPolarHBondContact O-CE2 3.43Å; Y104-Y106 PolarHBondContact O-N 2.74Å; Y104-Y106 VanDerWaalsContact O-N 3.1Å; Y104-Q107 PolarHBondContact O-N 2.99Å; Y104-V128 HydrophobicContact CD1-CG2 3.5Å; Y104-V128 HydrophobicContact CE1-CG2 3.78Å; Y104-V128 HydrophobicContact CG-CG2 4.32Å; Y104-F132 AromaticContact CE1-CD1 3.6Å; Y104-F132 HydrophobicContact CE1-CD1 3.6Å; Y104-F132 HydrophobicContact CE1-CE1 4.09Å; Y104-F132 HydrophobicContact CE1-CG 4.49Å
105P97.8Very high98.1Very high28 Ų2837.4 Ų37.418%0.18218%0.176CC..Hα-helixtrans-51-41.3-178.8-29.535.5000113.5Q107 V108 S127 V128 A149P105-Q107 PolarHBondContact O-N 2.89Å; P105-Q107 VanDerWaalsContact O-N 3.08Å; P105-V108 WeakPolarHBondContact O-CB 3.2Å; P105-V108 WeakPolarHBondContact O-CG2 3.25Å; P105-V108 PolarHBondContact O-N 3.08Å; P105-V108 VanDerWaalsContact O-N 3.13Å; P105-S127 WeakPolarHBondContact CA-OG 3.41Å; P105-S127 WeakPolarHBondContact CD-OG 3.37Å; P105-S127 WeakPolarHBondContact CG-OG 3.08Å; P105-V128 VanDerWaalsContact CD-O 3.27Å; P105-V128 WeakPolarHBondContact CD-O 3.37Å; P105-V128 VanDerWaalsContact CG-O 3.24Å; P105-V128 WeakPolarHBondContact CG-O 3.27Å; P105-A149 HydrophobicContact CB-CB 4.33Å
106Y97.1Very high98.4Very high194 Ų19439.5 Ų39.576%0.76118%0.18SC*.Hα-helixtrans-57-27.5179.5-173.2-101.4000114Y104Y104-Y106 PolarHBondContact O-N 2.74Å; Y104-Y106 VanDerWaalsContact O-N 3.1Å
107Q98.4Very high98.5Very high7 Ų745.8 Ų45.83%0.03321%0.206CC..Hα-helixtrans-99-4.2-176.1-65.9-66.93.600113.7D61 V66 V103 Y104 P105 K109 T110 C111D61-Q107 PolarHBondContact O-NE2 3.45Å; D61-Q107 VanDerWaalsContact O-NE2 3.11Å; V66-Q107 HydrophobicContact CG1-CB 4.31Å; V66-Q107 HydrophobicContact CG2-CB 4Å; V66-Q107 HydrophobicContact CG2-CG 3.83Å; V103-Q107 HydrophobicContact CB-CB 4.05Å; V103-Q107 HydrophobicContact CG2-CB 4.12Å; Y104-Q107 PolarHBondContact O-N 2.99Å; P105-Q107 PolarHBondContact O-N 2.89Å; P105-Q107 VanDerWaalsContact O-N 3.08Å; Q107-K109 VanDerWaalsContact C-N 3.31Å; Q107-K109 PolarHBondContact O-N 3.02Å; Q107-T110 VanDerWaalsContact O-CB 3.29Å; Q107-T110 WeakPolarHBondContact O-CB 3.48Å; Q107-T110 PolarHBondContact O-N 2.96Å; Q107-T110 VanDerWaalsContact O-N 3.11Å; Q107-T110 PolarHBondContact OE1-OG1 2.89Å; Q107-C111 PolarHBondContact O-N 3.47Å
108V98.7Very high98.5Very high0 Ų044.5 Ų44.50%021%0.205CC..Hα-helixtrans-58-45.4-179.5173.80000111.1V103 P105 T110 C111 A112 I125 A149 D152 A154V103-V108 HydrophobicContact CG2-CG2 4.06Å; P105-V108 WeakPolarHBondContact O-CB 3.2Å; P105-V108 WeakPolarHBondContact O-CG2 3.25Å; P105-V108 PolarHBondContact O-N 3.08Å; P105-V108 VanDerWaalsContact O-N 3.13Å; V108-T110 VanDerWaalsContact C-N 3.31Å; V108-T110 PolarHBondContact O-N 2.9Å; V108-C111 WeakPolarHBondContact O-CA 3.11Å; V108-C111 WeakPolarHBondContact O-CB 3.31Å; V108-C111 PolarHBondContact O-N 2.98Å; V108-A112 PolarHBondContact O-N 3Å; V108-I125 HydrophobicContact CG1-CG2 4.03Å; V108-A149 HydrophobicContact CG2-CB 4.43Å; V108-D152 HydrophobicContact CB-CB 3.98Å; V108-D152 HydrophobicContact CG1-CB 3.86Å; V108-A154 HydrophobicContact CG1-CB 3.79Å; V108-A154 HydrophobicContact CG2-CB 4.24Å
109K98.5Very high98.5Very high113 Ų11353.2 Ų53.249%0.49124%0.242SC..Hα-helixtrans-60.7-40.6177.8-174.6172.6179.6176.50112.1Q107 C111 A112 E113 D152Q107-K109 VanDerWaalsContact C-N 3.31Å; Q107-K109 PolarHBondContact O-N 3.02Å; K109-C111 VanDerWaalsContact C-N 3.31Å; K109-C111 PolarHBondContact O-N 3.19Å; K109-A112 PolarHBondContact O-N 2.76Å; K109-E113 WeakPolarHBondContact CE-OE1 3.36Å; K109-E113 HydrophobicContact CG-CG 4.44Å; K109-E113 WeakPolarHBondContact O-CB 3.29Å; K109-E113 WeakPolarHBondContact O-CG 3.38Å; K109-E113 PolarHBondContact O-N 3.13Å; K109-D152 HydrophobicContact CB-CB 4.3Å
110T98.7Very high98.4Very high18 Ų1854.8 Ų54.811%0.1125%0.249CC..Hα-helixtrans-57.1-45.8173.3-56.50000110.7P63 V66 Q67 Q107 V108 T114P63-T110 HydrophobicContact CB-CG2 4.03Å; V66-T110 HydrophobicContact CB-CG2 4.15Å; V66-T110 HydrophobicContact CG1-CG2 3.88Å; Q67-T110 HydrophobicContact CG-CG2 4.1Å; Q107-T110 VanDerWaalsContact O-CB 3.29Å; Q107-T110 WeakPolarHBondContact O-CB 3.48Å; Q107-T110 PolarHBondContact O-N 2.96Å; Q107-T110 VanDerWaalsContact O-N 3.11Å; Q107-T110 PolarHBondContact OE1-OG1 2.89Å; V108-T110 VanDerWaalsContact C-N 3.31Å; V108-T110 PolarHBondContact O-N 2.9Å; T110-T114 WeakPolarHBondContact O-CB 3.24Å; T110-T114 PolarHBondContact O-N 2.86Å; T110-T114 PolarHBondContact O-OG1 3.05Å
111C98.9Very high98.3Very high0 Ų059 Ų590%028%0.277CS..Hα-helixtrans-61.5-49.9177.1-65.90000111.9V66 C70 V101 Q107 V108 K109 E113 T114 F115 I125V66-C111 WeakPolarHBondContact CG1-SG 3.33Å; C70-C111 VanDerWaalsContact SG-SG 3.64Å; V101-C111 HydrophobicContact CG2-CB 4.29Å; Q107-C111 PolarHBondContact O-N 3.47Å; V108-C111 WeakPolarHBondContact O-CA 3.11Å; V108-C111 WeakPolarHBondContact O-CB 3.31Å; V108-C111 PolarHBondContact O-N 2.98Å; K109-C111 VanDerWaalsContact C-N 3.31Å; K109-C111 PolarHBondContact O-N 3.19Å; C111-E113 PolarHBondContact O-N 3.38Å; C111-T114 PolarHBondContact O-N 3.46Å; C111-T114 VanDerWaalsContact O-N 3.11Å; C111-F115 HydrophobicContact CB-CD2 4.38Å; C111-F115 HydrophobicContact CB-CE2 4.32Å; C111-F115 VanDerWaalsContact O-CD2 3.22Å; C111-F115 WeakPolarHBondContact O-CD2 3.48Å; C111-F115 PolarHBondContact O-N 3.28Å; C111-I125 HydrophobicContact CB-CD1 3.76Å; C111-I125 HydrophobicContact CB-CG1 3.98Å; C111-I125 HydrophobicContact CB-CG2 3.94Å
112A98.8Very high98.2Very high31 Ų3166.1 Ų66.126%0.25632%0.315SS..Hα-helixtrans-59.1-45.4-178.300000112V108 K109 T114 K116 I125V108-A112 PolarHBondContact O-N 3Å; K109-A112 PolarHBondContact O-N 2.76Å; A112-T114 VanDerWaalsContact C-N 3.33Å; A112-T114 PolarHBondContact O-N 3.31Å; A112-K116 WeakPolarHBondContact O-CB 3.37Å; A112-K116 PolarHBondContact O-N 3.44Å; A112-I125 HydrophobicContact CB-CD1 3.89Å
113E98.7Very high98.2Very high94 Ų9467 Ų6744%0.43932%0.319SS..Hα-helixtrans-64.7-37.4176.1-71179-178.800112.4K109 C111 K117K109-E113 WeakPolarHBondContact CE-OE1 3.36Å; K109-E113 HydrophobicContact CG-CG 4.44Å; K109-E113 WeakPolarHBondContact O-CB 3.29Å; K109-E113 WeakPolarHBondContact O-CG 3.38Å; K109-E113 PolarHBondContact O-N 3.13Å; C111-E113 PolarHBondContact O-N 3.38Å; E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 2.8Å
114T98.8Very high98.2Very high9 Ų969 Ų696%0.05533%0.329CS..Hα-helixtrans-68.9-47.8179.3-55.90000111.2Q67 C70 T110 C111 A112 K116 K117 L118Q67-T114 HydrophobicContact CB-CG2 4.41Å; Q67-T114 HydrophobicContact CG-CG2 4.17Å; Q67-T114 VanDerWaalsContact CG-OG1 3.27Å; Q67-T114 WeakPolarHBondContact CG-OG1 3.39Å; C70-T114 HydrophobicContact CB-CG2 3.6Å; T110-T114 WeakPolarHBondContact O-CB 3.24Å; T110-T114 PolarHBondContact O-N 2.86Å; T110-T114 PolarHBondContact O-OG1 3.05Å; C111-T114 PolarHBondContact O-N 3.46Å; C111-T114 VanDerWaalsContact O-N 3.11Å; A112-T114 VanDerWaalsContact C-N 3.33Å; A112-T114 PolarHBondContact O-N 3.31Å; T114-K116 VanDerWaalsContact C-N 3.29Å; T114-K116 PolarHBondContact O-N 2.92Å; T114-K117 WeakPolarHBondContact O-CA 3.28Å; T114-K117 WeakPolarHBondContact O-CB 3.4Å; T114-K117 PolarHBondContact O-N 3.23Å; T114-L118 HydrophobicContact CG2-CD1 4.2Å; T114-L118 WeakPolarHBondContact O-CG 3.49Å; T114-L118 PolarHBondContact O-N 3.16Å
115F98.7Very high98.2Very high2 Ų266.2 Ų66.21%0.00932%0.319CS..Hα-helixtrans-64.8-33178.1-76.2-56.9000112.9C70 A73 A74 V101 C111 K117 L118 K119 L120 F123 I125C70-F115 HydrophobicContact CB-CD1 4.47Å; C70-F115 HydrophobicContact CB-CE1 3.93Å; C70-F115 HydrophobicContact CB-CE2 4.08Å; C70-F115 HydrophobicContact CB-CZ 3.71Å; C70-F115 WeakPolarHBondContact O-CE1 3.45Å; C70-F115 VanDerWaalsContact SG-CE2 3.54Å; A73-F115 HydrophobicContact CB-CZ 4.32Å; A74-F115 HydrophobicContact CB-CE1 4.48Å; V101-F115 HydrophobicContact CG1-CE2 4.17Å; V101-F115 HydrophobicContact CG1-CZ 3.8Å; V101-F115 HydrophobicContact CG2-CE2 3.72Å; V101-F115 HydrophobicContact CG2-CZ 4.22Å; C111-F115 HydrophobicContact CB-CD2 4.38Å; C111-F115 HydrophobicContact CB-CE2 4.32Å; C111-F115 VanDerWaalsContact O-CD2 3.22Å; C111-F115 WeakPolarHBondContact O-CD2 3.48Å; C111-F115 PolarHBondContact O-N 3.28Å; F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 3.32Å; F115-L118 HydrophobicContact CD1-CD1 4.12Å; F115-L118 HydrophobicContact CE1-CD1 4.42Å; F115-L118 CarbonylContact O-C 3.6Å; F115-L118 PolarHBondContact O-N 3.29Å; F115-K119 PolarHBondContact O-N 3.38Å; F115-K119 VanDerWaalsContact O-N 3.16Å; F115-L120 WeakPolarHBondContact CB-O 3.38Å; F115-L120 HydrophobicContact CD1-CB 4.38Å; F115-L120 CarbonylContact O-C 3.59Å; F115-L120 PolarHBondContact O-N 3.36Å; F115-F123 HydrophobicContact CB-CB 4.23Å; F115-F123 HydrophobicContact CD1-CB 3.6Å; F115-F123 HydrophobicContact CD1-CD1 4.13Å; F115-F123 HydrophobicContact CD1-CD2 4.18Å; F115-F123 AromaticContact CD1-CG 3.71Å; F115-F123 HydrophobicContact CD1-CG 3.71Å; F115-F123 HydrophobicContact CD2-CB 3.94Å; F115-F123 HydrophobicContact CD2-CD1 4.11Å; F115-F123 HydrophobicContact CD2-CG 4.28Å; F115-F123 HydrophobicContact CE1-CB 3.87Å; F115-F123 AromaticContact CE1-CD1 3.5Å; F115-F123 HydrophobicContact CE1-CD1 3.5Å; F115-F123 VanDerWaalsContact CE1-CD1 3.5Å; F115-F123 AromaticContact CE1-CD2 3.79Å; F115-F123 HydrophobicContact CE1-CD2 3.79Å; F115-F123 AromaticContact CE1-CE1 3.95Å; F115-F123 HydrophobicContact CE1-CE1 3.95Å; F115-F123 HydrophobicContact CE1-CE2 4.21Å; F115-F123 AromaticContact CE1-CG 3.42Å; F115-F123 HydrophobicContact CE1-CG 3.42Å; F115-F123 VanDerWaalsContact CE1-CG 3.42Å; F115-F123 HydrophobicContact CE1-CZ 4.29Å; F115-F123 HydrophobicContact CE2-CB 4.17Å; F115-F123 AromaticContact CE2-CD1 3.46Å; F115-F123 HydrophobicContact CE2-CD1 3.46Å; F115-F123 VanDerWaalsContact CE2-CD1 3.46Å; F115-F123 HydrophobicContact CE2-CE1 4.14Å; F115-F123 HydrophobicContact CE2-CG 4.01Å; F115-F123 HydrophobicContact CG-CB 3.66Å; F115-F123 HydrophobicContact CG-CD1 4.42Å; F115-F123 HydrophobicContact CG-CG 4.15Å; F115-F123 HydrophobicContact CZ-CB 4.14Å; F115-F123 AromaticContact CZ-CD1 3.11Å; F115-F123 HydrophobicContact CZ-CD1 3.11Å; F115-F123 HydrophobicContact CZ-CD2 4.27Å; F115-F123 AromaticContact CZ-CE1 3.47Å; F115-F123 HydrophobicContact CZ-CE1 3.47Å; F115-F123 VanDerWaalsContact CZ-CE1 3.47Å; F115-F123 AromaticContact CZ-CG 3.58Å; F115-F123 HydrophobicContact CZ-CG 3.58Å; F115-F123 HydrophobicContact CZ-CZ 4.19Å; F115-I125 HydrophobicContact CD2-CD1 4.07Å; F115-I125 HydrophobicContact CD2-CG1 4Å; F115-I125 HydrophobicContact CE2-CG1 4.06Å
116K98.5Very high98.3Very high158 Ų15864.9 Ų64.969%0.68731%0.31SS*.Hα-helixtrans-59.8-43.6169.1-174.4176.8-179.8177.20112A112 T114 L118 K119A112-K116 WeakPolarHBondContact O-CB 3.37Å; A112-K116 PolarHBondContact O-N 3.44Å; T114-K116 VanDerWaalsContact C-N 3.29Å; T114-K116 PolarHBondContact O-N 2.92Å; K116-L118 VanDerWaalsContact C-N 3.33Å; K116-K119 PolarHBondContact O-N 2.98Å; K116-K119 VanDerWaalsContact O-N 3.12Å
117K98.3Very high98.3Very high151 Ų15155.6 Ų55.666%0.65727%0.274SS*.Hα-helixtrans-65.4-35.9175.9-69168.8-174.6171.50112.2E113 T114 F115 K119E113-K117 WeakPolarHBondContact O-CG 3.48Å; E113-K117 PolarHBondContact O-N 2.8Å; T114-K117 WeakPolarHBondContact O-CA 3.28Å; T114-K117 WeakPolarHBondContact O-CB 3.4Å; T114-K117 PolarHBondContact O-N 3.23Å; F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 3.32Å; K117-K119 PolarHBondContact O-N 3.15Å
118L97.5Very high98.3Very high53 Ų5355.3 Ų55.328%0.27727%0.273SS..THydrogen-bonded Turntrans-74.42.1173.6-63.7174.8000113.6V71 A74 T114 F115 K116 L120V71-L118 HydrophobicContact CG2-CD1 4.26Å; V71-L118 HydrophobicContact CG2-CD2 4.32Å; A74-L118 HydrophobicContact CB-CD1 4.09Å; T114-L118 HydrophobicContact CG2-CD1 4.2Å; T114-L118 WeakPolarHBondContact O-CG 3.49Å; T114-L118 PolarHBondContact O-N 3.16Å; F115-L118 HydrophobicContact CD1-CD1 4.12Å; F115-L118 HydrophobicContact CE1-CD1 4.42Å; F115-L118 CarbonylContact O-C 3.6Å; F115-L118 PolarHBondContact O-N 3.29Å; K116-L118 VanDerWaalsContact C-N 3.33Å; L118-L120 PolarHBondContact O-N 3.07Å
119K97.9Very high98Very high185 Ų18555.3 Ų55.380%0.80427%0.273SS*.THydrogen-bonded Turntrans59.529.8-176-52.9177-178.4174.20113.5F115 K116 K117 P121F115-K119 PolarHBondContact O-N 3.38Å; F115-K119 VanDerWaalsContact O-N 3.16Å; K116-K119 PolarHBondContact O-N 2.98Å; K116-K119 VanDerWaalsContact O-N 3.12Å; K117-K119 PolarHBondContact O-N 3.15Å; K119-P121 WeakPolarHBondContact O-CD 3.33Å
120L97.6Very high97.7Very high42 Ų4250 Ų5022%0.2225%0.25CC..  trans-122.152.9176.7-65.8174.7000111.2A74 R97 F115 L118 N122 F123A74-L120 HydrophobicContact CB-CD1 3.69Å; R97-L120 VanDerWaalsContact NH1-CD2 3.31Å; F115-L120 WeakPolarHBondContact CB-O 3.38Å; F115-L120 HydrophobicContact CD1-CB 4.38Å; F115-L120 CarbonylContact O-C 3.59Å; F115-L120 PolarHBondContact O-N 3.36Å; L118-L120 PolarHBondContact O-N 3.07Å; L120-N122 PolarHBondContact O-N 3.33Å; L120-F123 HydrophobicContact CB-CB 4.34Å; L120-F123 HydrophobicContact CD1-CD2 4.41Å; L120-F123 WeakPolarHBondContact O-CB 3.3Å; L120-F123 PolarHBondContact O-N 3.23Å
121P97.5Very high97.4Very high90 Ų9049.2 Ų49.258%0.58425%0.246SC*.THydrogen-bonded Turntrans-61.6-16.8-170.528.6-37.5000114.6K119K119-P121 WeakPolarHBondContact O-CD 3.33Å
122N96.2Very high97.3Very high149 Ų14950.3 Ų50.380%0.79725%0.251SS*.THydrogen-bonded Turntrans-100.713.7179.6-57-28.9000112.8L120L120-N122 PolarHBondContact O-N 3.33Å
123F98.3Very high97.2Very high17 Ų1750.8 Ų50.88%0.07525%0.251CS..  trans-63.9136.3174.4-162.8-81.2000109.8A73 R97 T98 V101 F115 L120 I125A73-F123 HydrophobicContact CB-CE1 4.12Å; A73-F123 HydrophobicContact CB-CZ 3.84Å; R97-F123 HydrophobicContact CB-CE2 4.04Å; R97-F123 HydrophobicContact CG-CE2 3.97Å; T98-F123 VanDerWaalsContact O-CZ 3.27Å; T98-F123 WeakPolarHBondContact O-CZ 3.44Å; V101-F123 HydrophobicContact CG1-CE1 4.22Å; F115-F123 HydrophobicContact CB-CB 4.23Å; F115-F123 HydrophobicContact CD1-CB 3.6Å; F115-F123 HydrophobicContact CD1-CD1 4.13Å; F115-F123 HydrophobicContact CD1-CD2 4.18Å; F115-F123 AromaticContact CD1-CG 3.71Å; F115-F123 HydrophobicContact CD1-CG 3.71Å; F115-F123 HydrophobicContact CD2-CB 3.94Å; F115-F123 HydrophobicContact CD2-CD1 4.11Å; F115-F123 HydrophobicContact CD2-CG 4.28Å; F115-F123 HydrophobicContact CE1-CB 3.87Å; F115-F123 AromaticContact CE1-CD1 3.5Å; F115-F123 HydrophobicContact CE1-CD1 3.5Å; F115-F123 VanDerWaalsContact CE1-CD1 3.5Å; F115-F123 AromaticContact CE1-CD2 3.79Å; F115-F123 HydrophobicContact CE1-CD2 3.79Å; F115-F123 AromaticContact CE1-CE1 3.95Å; F115-F123 HydrophobicContact CE1-CE1 3.95Å; F115-F123 HydrophobicContact CE1-CE2 4.21Å; F115-F123 AromaticContact CE1-CG 3.42Å; F115-F123 HydrophobicContact CE1-CG 3.42Å; F115-F123 VanDerWaalsContact CE1-CG 3.42Å; F115-F123 HydrophobicContact CE1-CZ 4.29Å; F115-F123 HydrophobicContact CE2-CB 4.17Å; F115-F123 AromaticContact CE2-CD1 3.46Å; F115-F123 HydrophobicContact CE2-CD1 3.46Å; F115-F123 VanDerWaalsContact CE2-CD1 3.46Å; F115-F123 HydrophobicContact CE2-CE1 4.14Å; F115-F123 HydrophobicContact CE2-CG 4.01Å; F115-F123 HydrophobicContact CG-CB 3.66Å; F115-F123 HydrophobicContact CG-CD1 4.42Å; F115-F123 HydrophobicContact CG-CG 4.15Å; F115-F123 HydrophobicContact CZ-CB 4.14Å; F115-F123 AromaticContact CZ-CD1 3.11Å; F115-F123 HydrophobicContact CZ-CD1 3.11Å; F115-F123 HydrophobicContact CZ-CD2 4.27Å; F115-F123 AromaticContact CZ-CE1 3.47Å; F115-F123 HydrophobicContact CZ-CE1 3.47Å; F115-F123 VanDerWaalsContact CZ-CE1 3.47Å; F115-F123 AromaticContact CZ-CG 3.58Å; F115-F123 HydrophobicContact CZ-CG 3.58Å; F115-F123 HydrophobicContact CZ-CZ 4.19Å; L120-F123 HydrophobicContact CB-CB 4.34Å; L120-F123 HydrophobicContact CD1-CD2 4.41Å; L120-F123 WeakPolarHBondContact O-CB 3.3Å; L120-F123 PolarHBondContact O-N 3.23Å; F123-I125 PolarHBondContact O-N 3.4Å
124N98.6Very high97Very high42 Ų4248.8 Ų48.823%0.22525%0.245CC..  trans-69.4128.9-176-61.3-43.1000111.3A99 A100 V101 N155 E156A99-N124 WeakPolarHBondContact O-CB 3.37Å; A99-N124 PolarHBondContact O-ND2 2.98Å; A100-N124 VanDerWaalsContact CA-O 3.28Å; A100-N124 WeakPolarHBondContact CA-O 3.25Å; A100-N124 HydrophobicContact CB-CB 3.63Å; A100-N124 WeakPolarHBondContact CB-O 3.47Å; V101-N124 PolarHBondContact N-O 3.46Å; V101-N124 VanDerWaalsContact N-O 3.08Å; N124-N155 WeakPolarHBondContact CA-OD1 3.26Å; N124-N155 PolarHBondContact OD1-ND2 3.23Å; N124-E156 HydrophobicContact CB-CG 4.46Å
125I98.9Very high96.8Very high7 Ų748.4 Ų48.44%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-117.8105.9176.1-58165.6000107V101 V108 C111 A112 F115 F123 A154 N155 E156V101-I125 HydrophobicContact CG2-CB 4.4Å; V101-I125 HydrophobicContact CG2-CG1 4.17Å; V101-I125 HydrophobicContact CG2-CG2 4.24Å; V108-I125 HydrophobicContact CG1-CG2 4.03Å; C111-I125 HydrophobicContact CB-CD1 3.76Å; C111-I125 HydrophobicContact CB-CG1 3.98Å; C111-I125 HydrophobicContact CB-CG2 3.94Å; A112-I125 HydrophobicContact CB-CD1 3.89Å; F115-I125 HydrophobicContact CD2-CD1 4.07Å; F115-I125 HydrophobicContact CD2-CG1 4Å; F115-I125 HydrophobicContact CE2-CG1 4.06Å; F123-I125 PolarHBondContact O-N 3.4Å; I125-A154 WeakPolarHBondContact O-CA 3.43Å; I125-N155 PolarHBondContact N-OD1 3.32Å; I125-N155 PolarHBondContact O-N 3.43Å; I125-N155 VanDerWaalsContact O-N 3.15Å; I125-N155 PolarHBondContact O-OD1 3.08Å; I125-E156 PolarHBondContact O-N 2.94Å
126A98.9Very high96.6Very high0 Ų055.1 Ų55.10%027%0.274CS..EExtended strand (participates in β ladder)trans-84.5137.5168.300000110.2V101 C102 V103 E156V101-A126 WeakPolarHBondContact O-CA 3.46Å; V101-A126 WeakPolarHBondContact O-CB 3.46Å; V101-A126 PolarHBondContact O-N 2.66Å; C102-A126 VanDerWaalsContact CA-O 3.3Å; C102-A126 WeakPolarHBondContact CA-O 3.3Å; C102-A126 HydrophobicContact CB-CB 4.09Å; V103-A126 PolarHBondContact N-O 3.35Å; A126-E156 CarbonylContact C-O 3.14Å; A126-E156 VanDerWaalsContact CA-O 3.26Å; A126-E156 WeakPolarHBondContact CA-O 3.36Å; A126-E156 HydrophobicContact CB-CB 4Å
127S98.8Very high96.5Very high0 Ų053.8 Ų53.80%027%0.266CS..EExtended strand (participates in β ladder)trans-116.3137.1166.6-171.60000110V103 P105 E156 I157 D158V103-S127 WeakPolarHBondContact O-CA 3.22Å; V103-S127 PolarHBondContact O-OG 3.07Å; P105-S127 WeakPolarHBondContact CA-OG 3.41Å; P105-S127 WeakPolarHBondContact CD-OG 3.37Å; P105-S127 WeakPolarHBondContact CG-OG 3.08Å; S127-E156 PolarHBondContact N-O 2.94Å; S127-I157 WeakPolarHBondContact O-CA 2.8Å; S127-D158 PolarHBondContact O-N 3.06Å
128V98.5Very high96.4Very high0 Ų050.7 Ų50.70%026%0.261CS..EExtended strand (participates in β ladder)trans-68.7147.2159.3-62.60000109.3L57 V103 Y104 P105 F132 D158L57-V128 HydrophobicContact CD1-CG1 3.7Å; L57-V128 HydrophobicContact CD2-CB 4.36Å; L57-V128 HydrophobicContact CD2-CG1 3.9Å; L57-V128 HydrophobicContact CD2-CG2 3.52Å; L57-V128 HydrophobicContact CG-CG1 4.47Å; V103-V128 PolarHBondContact O-N 2.6Å; Y104-V128 HydrophobicContact CD1-CG2 3.5Å; Y104-V128 HydrophobicContact CE1-CG2 3.78Å; Y104-V128 HydrophobicContact CG-CG2 4.32Å; P105-V128 VanDerWaalsContact CD-O 3.27Å; P105-V128 WeakPolarHBondContact CD-O 3.37Å; P105-V128 VanDerWaalsContact CG-O 3.24Å; P105-V128 WeakPolarHBondContact CG-O 3.27Å; V128-F132 HydrophobicContact CB-CB 3.98Å; V128-F132 HydrophobicContact CB-CD1 4.36Å; V128-F132 HydrophobicContact CB-CD2 3.56Å; V128-F132 HydrophobicContact CB-CE2 4.09Å; V128-F132 HydrophobicContact CB-CG 3.7Å; V128-F132 HydrophobicContact CG1-CD2 3.61Å; V128-F132 HydrophobicContact CG1-CE2 3.61Å; V128-F132 HydrophobicContact CG1-CG 4.16Å; V128-F132 HydrophobicContact CG1-CZ 4.18Å; V128-F132 HydrophobicContact CG2-CB 3.97Å; V128-F132 HydrophobicContact CG2-CD1 3.94Å; V128-F132 HydrophobicContact CG2-CD2 4.07Å; V128-F132 HydrophobicContact CG2-CE1 4.46Å; V128-F132 HydrophobicContact CG2-CG 3.72Å; V128-D158 WeakPolarHBondContact CA-O 3.37Å; V128-D158 HydrophobicContact CG1-CB 4.26Å
129A92.2Very high96.4Very high1 Ų150.8 Ų50.81%0.00826%0.262CS..  trans-148.3-168.3177.700000110.5G131 F132 E145 I146 I157 D158A129-G131 PolarHBondContact O-N 3.38Å; A129-F132 PolarHBondContact O-N 3.46Å; A129-E145 HydrophobicContact CB-CB 4.3Å; A129-I146 HydrophobicContact CB-CG1 4.06Å; A129-I157 HydrophobicContact CB-CG2 3.77Å; A129-D158 PolarHBondContact N-O 3.49Å
130T91Very high96.4Very high0 Ų049.1 Ų49.10%026%0.257CS..SBendtrans57.850.4171.368.30000113.4R142 E145 I146 V159 V160 M181T130-R142 VanDerWaalsContact C-CD 3.45Å; T130-R142 VanDerWaalsContact C-CG 3.42Å; T130-R142 HydrophobicContact CG2-CB 4.05Å; T130-R142 WeakPolarHBondContact O-CD 2.98Å; T130-E145 WeakPolarHBondContact CA-OE2 3.38Å; T130-E145 PolarHBondContact N-OE2 2.71Å; T130-I146 HydrophobicContact CG2-CD1 3.59Å; T130-I146 HydrophobicContact CG2-CG1 3.7Å; T130-V159 HydrophobicContact CG2-CB 3.73Å; T130-V159 HydrophobicContact CG2-CG1 3.47Å; T130-V159 VanDerWaalsContact CG2-CG1 3.47Å; T130-V159 VanDerWaalsContact OG1-CA 3.3Å; T130-V159 WeakPolarHBondContact OG1-CA 3.24Å; T130-V159 WeakPolarHBondContact OG1-CB 3.49Å; T130-V160 PolarHBondContact OG1-N 3.11Å; T130-M181 HydrophobicContact CG2-CE 4.02Å; T130-M181 HydrophobicContact CG2-CG 4.15Å; T130-M181 HydrophobicContact CG2-SD 4Å
131G92.7Very high96.4Very high3 Ų349.7 Ų49.73%0.03126%0.262CS..SBendtrans7332.817500000113.2A129 T134 G135 E145A129-G131 PolarHBondContact O-N 3.38Å; G131-T134 PolarHBondContact O-N 3.26Å; G131-T134 PolarHBondContact O-OG1 2.88Å; G131-G135 PolarHBondContact O-N 3.11Å; G131-E145 PolarHBondContact N-OE2 2.61Å
132F97.6Very high96.4Very high23 Ų2345.6 Ų45.610%0.10124%0.235CC..THydrogen-bonded Turntrans-56.5140.4178-177-80.9000111.8L57 Y104 V128 A129 V160 I194 T225 K227L57-F132 HydrophobicContact CD1-CE1 4.1Å; L57-F132 HydrophobicContact CD1-CE2 4.26Å; L57-F132 HydrophobicContact CD1-CZ 3.64Å; Y104-F132 AromaticContact CE1-CD1 3.6Å; Y104-F132 HydrophobicContact CE1-CD1 3.6Å; Y104-F132 HydrophobicContact CE1-CE1 4.09Å; Y104-F132 HydrophobicContact CE1-CG 4.49Å; V128-F132 HydrophobicContact CB-CB 3.98Å; V128-F132 HydrophobicContact CB-CD1 4.36Å; V128-F132 HydrophobicContact CB-CD2 3.56Å; V128-F132 HydrophobicContact CB-CE2 4.09Å; V128-F132 HydrophobicContact CB-CG 3.7Å; V128-F132 HydrophobicContact CG1-CD2 3.61Å; V128-F132 HydrophobicContact CG1-CE2 3.61Å; V128-F132 HydrophobicContact CG1-CG 4.16Å; V128-F132 HydrophobicContact CG1-CZ 4.18Å; V128-F132 HydrophobicContact CG2-CB 3.97Å; V128-F132 HydrophobicContact CG2-CD1 3.94Å; V128-F132 HydrophobicContact CG2-CD2 4.07Å; V128-F132 HydrophobicContact CG2-CE1 4.46Å; V128-F132 HydrophobicContact CG2-CG 3.72Å; A129-F132 PolarHBondContact O-N 3.46Å; F132-V160 HydrophobicContact CB-CG2 4.37Å; F132-V160 HydrophobicContact CD2-CG2 3.81Å; F132-V160 HydrophobicContact CG-CG2 4.49Å; F132-I194 HydrophobicContact CD2-CD1 4.13Å; F132-I194 HydrophobicContact CE2-CD1 4.1Å; F132-T225 HydrophobicContact CD2-CG2 4.07Å; F132-T225 HydrophobicContact CE2-CG2 3.7Å; F132-T225 HydrophobicContact CZ-CG2 4.41Å; F132-T225 WeakPolarHBondContact CZ-O 3.23Å; F132-K227 HydrophobicContact CE1-CG 4Å; F132-K227 HydrophobicContact CZ-CG 3.97Å
133P96.5Very high96.5Very high40 Ų4040.2 Ų40.226%0.2621%0.206SC..THydrogen-bonded Turncis-87.8-5.1-1.634.4-34.7000113.5T225 K227P133-T225 HydrophobicContact CB-CG2 4.08Å; P133-K227 HydrophobicContact CB-CB 3.92Å; P133-K227 HydrophobicContact CB-CG 3.82Å; P133-K227 HydrophobicContact CG-CB 4.18Å; P133-K227 HydrophobicContact CG-CG 4.15Å
134T94.7Very high96.5Very high53 Ų5344.1 Ų44.133%0.32523%0.227SC..THydrogen-bonded Turntrans-85.3-29.9-16364.80000114.3G131 Q136 R163G131-T134 PolarHBondContact O-N 3.26Å; G131-T134 PolarHBondContact O-OG1 2.88Å; T134-Q136 PolarHBondContact O-N 2.65Å; T134-Q136 PolarHBondContact OG1-N 3.48Å; T134-R163 VanDerWaalsContact CA-NH2 3.29Å; T134-R163 PolarHBondContact O-NE 3.25Å; T134-R163 PolarHBondContact O-NH2 3.15Å
135G93.9Very high96.4Very high1 Ų144.7 Ų44.71%0.0123%0.229CC..THydrogen-bonded Turntrans718.6-171.900000114.1G131G131-G135 PolarHBondContact O-N 3.11Å
136Q94.5Very high96.4Very high142 Ų14244.4 Ų44.466%0.66423%0.227SC*.  trans-94.511.1-170.4-68.4-160.6-1.400115.3T134T134-Q136 PolarHBondContact O-N 2.65Å; T134-Q136 PolarHBondContact OG1-N 3.48Å
137Y95.9Very high96.4Very high130 Ų13049.4 Ų49.451%0.5125%0.249SC..SBendtrans-83.9156.2175.4-69.4-95.8000110.9R142Y137-R142 WeakPolarHBondContact O-CD 3.48Å; Y137-R142 PolarHBondContact O-NE 3.39Å
138P96.8Very high96.4Very high86 Ų8652.2 Ų52.256%0.55827%0.268SS*.  trans-51.8142.8173.6-27.135.8000112.2E140 T141 R142P138-E140 PolarHBondContact O-N 3.31Å; P138-T141 PolarHBondContact O-N 3.15Å; P138-T141 PolarHBondContact O-OG1 2.98Å; P138-R142 WeakPolarHBondContact O-CG 3.5Å; P138-R142 PolarHBondContact O-N 2.8Å
139L97.5Very high96.4Very high55 Ų5552.2 Ų52.229%0.28827%0.268SS..Hα-helixtrans-55.7-38.8-178.2-179.262.5000111.8T141 R142 L143 E177 A180 M181L139-T141 PolarHBondContact O-N 3.07Å; L139-R142 WeakPolarHBondContact O-CB 3.49Å; L139-R142 PolarHBondContact O-N 2.64Å; L139-L143 HydrophobicContact CD1-CD1 4.47Å; L139-L143 HydrophobicContact CD1-CD2 4.2Å; L139-L143 HydrophobicContact CD1-CG 4.11Å; L139-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 HydrophobicContact CG-CG 4.17Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 2.73Å; L139-E177 HydrophobicContact CD1-CB 4.26Å; L139-E177 HydrophobicContact CD1-CG 4.2Å; L139-E177 HydrophobicContact CD2-CG 4.22Å; L139-A180 HydrophobicContact CD2-CB 4.29Å; L139-M181 HydrophobicContact CD1-CE 4.09Å
140E97.8Very high96.6Very high150 Ų15054.2 Ų54.270%0.70128%0.278SS*.Hα-helixtrans-56-50.5179.4-176.1179.1-175.600112.8P138 R142 L143 L144P138-E140 PolarHBondContact O-N 3.31Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 2.97Å; E140-L143 PolarHBondContact O-N 2.67Å; E140-L144 WeakPolarHBondContact O-CG 3.43Å; E140-L144 PolarHBondContact O-N 3.2Å; E140-L144 VanDerWaalsContact O-N 3.14Å
141T97.4Very high97Very high55 Ų5560.8 Ų60.834%0.33731%0.314SS..Hα-helixtrans-67.3-36.9179.660.20000110.9P138 L139 L143 L144 E145P138-T141 PolarHBondContact O-N 3.15Å; P138-T141 PolarHBondContact O-OG1 2.98Å; L139-T141 PolarHBondContact O-N 3.07Å; T141-L143 VanDerWaalsContact C-N 3.33Å; T141-L143 PolarHBondContact O-N 2.67Å; T141-L144 WeakPolarHBondContact O-CB 3.46Å; T141-L144 PolarHBondContact O-N 3.48Å; T141-L144 VanDerWaalsContact O-N 3.16Å; T141-E145 WeakPolarHBondContact O-CG 3.05Å; T141-E145 PolarHBondContact O-N 2.72Å
142R97.7Very high97.2Very high4 Ų463.4 Ų63.42%0.01533%0.327CS..Hα-helixtrans-60.6-40.4175.4-70-167.6-74.8149.70.3112.3T130 Y137 P138 L139 E140 E145 I146 E177T130-R142 VanDerWaalsContact C-CD 3.45Å; T130-R142 VanDerWaalsContact C-CG 3.42Å; T130-R142 HydrophobicContact CG2-CB 4.05Å; T130-R142 WeakPolarHBondContact O-CD 2.98Å; Y137-R142 WeakPolarHBondContact O-CD 3.48Å; Y137-R142 PolarHBondContact O-NE 3.39Å; P138-R142 WeakPolarHBondContact O-CG 3.5Å; P138-R142 PolarHBondContact O-N 2.8Å; L139-R142 WeakPolarHBondContact O-CB 3.49Å; L139-R142 PolarHBondContact O-N 2.64Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 2.97Å; R142-E145 PolarHBondContact O-N 3Å; R142-I146 PolarHBondContact O-N 2.69Å; R142-E177 IonicContact CZ-OE1 3.22Å; R142-E177 IonicContact CZ-OE2 3.66Å; R142-E177 IonicContact NH1-OE2 3.85Å; R142-E177 PolarHBondContact NH1-OE2 2.85Å; R142-E177 IonicContact NH2-OE1 2.79Å; R142-E177 PolarHBondContact NH2-OE1 2.76Å; R142-E177 IonicContact NH2-OE2 2.8Å; R142-E177 PolarHBondContact NH2-OE2 2.9Å
143L98.4Very high97.3Very high36 Ų3664 Ų6419%0.18834%0.34CS..Hα-helixtrans-69.7-32176-64177.2000112.6L139 E140 T141 I146 K147 A180 M181 A184L139-L143 HydrophobicContact CD1-CD1 4.47Å; L139-L143 HydrophobicContact CD1-CD2 4.2Å; L139-L143 HydrophobicContact CD1-CG 4.11Å; L139-L143 HydrophobicContact CG-CD1 4.1Å; L139-L143 HydrophobicContact CG-CG 4.17Å; L139-L143 VanDerWaalsContact O-CG 3.3Å; L139-L143 WeakPolarHBondContact O-CG 3.3Å; L139-L143 PolarHBondContact O-N 2.73Å; E140-L143 PolarHBondContact O-N 2.67Å; T141-L143 VanDerWaalsContact C-N 3.33Å; T141-L143 PolarHBondContact O-N 2.67Å; L143-I146 HydrophobicContact CD2-CD1 4.36Å; L143-K147 WeakPolarHBondContact O-CG 3.29Å; L143-K147 PolarHBondContact O-N 3.1Å; L143-A180 HydrophobicContact CD1-CB 4.18Å; L143-A180 HydrophobicContact CD2-CB 4.07Å; L143-M181 HydrophobicContact CD2-CB 4.46Å; L143-M181 HydrophobicContact CD2-CG 3.99Å; L143-A184 HydrophobicContact CD2-CB 3.96Å
144L97.9Very high97.4Very high99 Ų9962.3 Ų62.352%0.51833%0.329SS..Hα-helixtrans-67.8-38.8174.7-69.4174000112E140 T141 I146 K147 S148E140-L144 WeakPolarHBondContact O-CG 3.43Å; E140-L144 PolarHBondContact O-N 3.2Å; E140-L144 VanDerWaalsContact O-N 3.14Å; T141-L144 WeakPolarHBondContact O-CB 3.46Å; T141-L144 PolarHBondContact O-N 3.48Å; T141-L144 VanDerWaalsContact O-N 3.16Å; L144-I146 VanDerWaalsContact C-N 3.32Å; L144-I146 PolarHBondContact O-N 3.13Å; L144-K147 PolarHBondContact O-N 3.09Å; L144-S148 WeakPolarHBondContact O-CB 3.49Å; L144-S148 PolarHBondContact O-N 2.83Å
145E97.9Very high97.5Very high54 Ų5462.3 Ų62.325%0.25233%0.327SS..Hα-helixtrans-57.9-43.6175-70.1169-147.100112A129 T130 G131 T141 R142 S148 A149A129-E145 HydrophobicContact CB-CB 4.3Å; T130-E145 WeakPolarHBondContact CA-OE2 3.38Å; T130-E145 PolarHBondContact N-OE2 2.71Å; G131-E145 PolarHBondContact N-OE2 2.61Å; T141-E145 WeakPolarHBondContact O-CG 3.05Å; T141-E145 PolarHBondContact O-N 2.72Å; R142-E145 PolarHBondContact O-N 3Å; E145-S148 PolarHBondContact O-N 2.75Å; E145-A149 PolarHBondContact O-N 3.06Å
146I98.4Very high97.8Very high0 Ų062.3 Ų62.30%033%0.327CS..Hα-helixtrans-56.9-52.9175.8-63178.2000110.2A129 T130 R142 L143 L144 S148 A149 I150 I157 V159 M181 A184 C185A129-I146 HydrophobicContact CB-CG1 4.06Å; T130-I146 HydrophobicContact CG2-CD1 3.59Å; T130-I146 HydrophobicContact CG2-CG1 3.7Å; R142-I146 PolarHBondContact O-N 2.69Å; L143-I146 HydrophobicContact CD2-CD1 4.36Å; L144-I146 VanDerWaalsContact C-N 3.32Å; L144-I146 PolarHBondContact O-N 3.13Å; I146-S148 VanDerWaalsContact C-N 3.3Å; I146-S148 PolarHBondContact O-N 2.94Å; I146-A149 PolarHBondContact O-N 3.3Å; I146-I150 HydrophobicContact CG2-CD1 3.8Å; I146-I150 WeakPolarHBondContact O-CG1 3.12Å; I146-I150 PolarHBondContact O-N 2.87Å; I146-I157 HydrophobicContact CG1-CG2 4.08Å; I146-I157 HydrophobicContact CG2-CG1 4.32Å; I146-I157 HydrophobicContact CG2-CG2 4.36Å; I146-V159 HydrophobicContact CD1-CG1 3.9Å; I146-V159 HydrophobicContact CG1-CG1 4.31Å; I146-M181 HydrophobicContact CD1-CB 3.72Å; I146-M181 HydrophobicContact CD1-CG 3.87Å; I146-A184 HydrophobicContact CB-CB 4.34Å; I146-A184 HydrophobicContact CD1-CB 4.2Å; I146-A184 HydrophobicContact CG2-CB 4.04Å; I146-C185 VanDerWaalsContact CG2-SG 3.54Å
147K98.1Very high98Very high106 Ų10655.6 Ų55.646%0.46130%0.295SS..Hα-helixtrans-62.1-39.8-178.4-67.4174.9-177.9178.10111.6L143 L144 I150 N151L143-K147 WeakPolarHBondContact O-CG 3.29Å; L143-K147 PolarHBondContact O-N 3.1Å; L144-K147 PolarHBondContact O-N 3.09Å; K147-I150 PolarHBondContact O-N 3.14Å; K147-N151 WeakPolarHBondContact O-CB 3.46Å; K147-N151 PolarHBondContact O-N 2.83Å; K147-N151 PolarHBondContact O-ND2 3.19Å
148S97.9Very high98.1Very high58 Ų5849.4 Ų49.441%0.40627%0.271SS..Hα-helixtrans-62.5-49.6177.2-166.20000111.4L144 E145 I146 I150 N151 D152L144-S148 WeakPolarHBondContact O-CB 3.49Å; L144-S148 PolarHBondContact O-N 2.83Å; E145-S148 PolarHBondContact O-N 2.75Å; I146-S148 VanDerWaalsContact C-N 3.3Å; I146-S148 PolarHBondContact O-N 2.94Å; S148-I150 VanDerWaalsContact C-N 3.31Å; S148-I150 PolarHBondContact O-N 2.98Å; S148-N151 PolarHBondContact O-N 3.15Å; S148-D152 PolarHBondContact O-N 2.88Å
149A98.5Very high98.2Very high0 Ų045.3 Ų45.30%024%0.244CC..Hα-helixtrans-60.3-41.3179.200000111.9P105 V108 E145 I146 D152 G153 A154 I157P105-A149 HydrophobicContact CB-CB 4.33Å; V108-A149 HydrophobicContact CG2-CB 4.43Å; E145-A149 PolarHBondContact O-N 3.06Å; I146-A149 PolarHBondContact O-N 3.3Å; A149-D152 PolarHBondContact O-N 3.35Å; A149-G153 PolarHBondContact O-N 2.91Å; A149-A154 HydrophobicContact CB-CB 4.17Å; A149-A154 VanDerWaalsContact O-CB 3.26Å; A149-A154 WeakPolarHBondContact O-CB 3.4Å; A149-A154 PolarHBondContact O-N 3.44Å; A149-I157 HydrophobicContact CB-CD1 3.64Å
150I98.4Very high98.2Very high43 Ų4342.7 Ų42.722%0.22123%0.231CC..Hα-helixtrans-63.8-44.5176.2-66.4168.7000111.1I146 K147 S148 D152 G153 I157 C185 T189I146-I150 HydrophobicContact CG2-CD1 3.8Å; I146-I150 WeakPolarHBondContact O-CG1 3.12Å; I146-I150 PolarHBondContact O-N 2.87Å; K147-I150 PolarHBondContact O-N 3.14Å; S148-I150 VanDerWaalsContact C-N 3.31Å; S148-I150 PolarHBondContact O-N 2.98Å; I150-D152 PolarHBondContact O-N 2.72Å; I150-G153 PolarHBondContact O-N 3.07Å; I150-I157 HydrophobicContact CD1-CG1 4.31Å; I150-I157 HydrophobicContact CG1-CD1 4.06Å; I150-I157 HydrophobicContact CG1-CG1 4.06Å; I150-C185 HydrophobicContact CD1-CB 4.44Å; I150-T189 HydrophobicContact CD1-CG2 3.83Å; I150-T189 HydrophobicContact CG1-CG2 3.87Å
151N98Very high98.2Very high138 Ų13835.6 Ų35.674%0.73820%0.198SC*.Hα-helixtrans-61.1-31.9177.2-72-18.7000112.6K147 S148 G153K147-N151 WeakPolarHBondContact O-CB 3.46Å; K147-N151 PolarHBondContact O-N 2.83Å; K147-N151 PolarHBondContact O-ND2 3.19Å; S148-N151 PolarHBondContact O-N 3.15Å; N151-G153 VanDerWaalsContact C-N 3.28Å
152D98.1Very high98.2Very high58 Ų5834.2 Ų34.231%0.3119%0.188SC..THydrogen-bonded Turntrans-80.6-6.7176.1-73.6-33.6000113.6V108 K109 S148 A149 I150V108-D152 HydrophobicContact CB-CB 3.98Å; V108-D152 HydrophobicContact CG1-CB 3.86Å; K109-D152 HydrophobicContact CB-CB 4.3Å; S148-D152 PolarHBondContact O-N 2.88Å; A149-D152 PolarHBondContact O-N 3.35Å; I150-D152 PolarHBondContact O-N 2.72Å
153G98.1Very high98.1Very high36 Ų3635.1 Ų35.137%0.37119%0.192SC..THydrogen-bonded Turntrans115.79.1171.800000115.8A149 I150 N151 N155A149-G153 PolarHBondContact O-N 2.91Å; I150-G153 PolarHBondContact O-N 3.07Å; N151-G153 VanDerWaalsContact C-N 3.28Å; G153-N155 PolarHBondContact O-N 3.39Å
154A98.5Very high98Very high4 Ų436.2 Ų36.23%0.03320%0.2CC..  trans-70.7128.2174.600000110.5V108 I125 A149 I157V108-A154 HydrophobicContact CG1-CB 3.79Å; V108-A154 HydrophobicContact CG2-CB 4.24Å; I125-A154 WeakPolarHBondContact O-CA 3.43Å; A149-A154 HydrophobicContact CB-CB 4.17Å; A149-A154 VanDerWaalsContact O-CB 3.26Å; A149-A154 WeakPolarHBondContact O-CB 3.4Å; A149-A154 PolarHBondContact O-N 3.44Å; A154-I157 HydrophobicContact CB-CD1 3.92Å
155N98.2Very high98Very high53 Ų5332.9 Ų32.928%0.28318%0.182SC..SBendtrans-104.8-2.3173.569-28.9000112.5N124 I125 G153 T189 H190N124-N155 WeakPolarHBondContact CA-OD1 3.26Å; N124-N155 PolarHBondContact OD1-ND2 3.23Å; I125-N155 PolarHBondContact N-OD1 3.32Å; I125-N155 PolarHBondContact O-N 3.43Å; I125-N155 VanDerWaalsContact O-N 3.15Å; I125-N155 PolarHBondContact O-OD1 3.08Å; G153-N155 PolarHBondContact O-N 3.39Å; N155-T189 CarbonylContact O-C 3.51Å; N155-T189 WeakPolarHBondContact O-CA 3.28Å; N155-T189 WeakPolarHBondContact O-CG2 3.4Å; N155-H190 PolarHBondContact O-N 2.93Å
156E98.7Very high97.9Very high2 Ų230.3 Ų30.31%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-135.2142.9169.8-38.8-179153.900109.9N124 I125 A126 S127 H190 K192 R291N124-E156 HydrophobicContact CB-CG 4.46Å; I125-E156 PolarHBondContact O-N 2.94Å; A126-E156 CarbonylContact C-O 3.14Å; A126-E156 VanDerWaalsContact CA-O 3.26Å; A126-E156 WeakPolarHBondContact CA-O 3.36Å; A126-E156 HydrophobicContact CB-CB 4Å; S127-E156 PolarHBondContact N-O 2.94Å; E156-H190 CarbonylContact C-O 3.39Å; E156-H190 WeakPolarHBondContact CA-O 3.31Å; E156-H190 HydrophobicContact CB-CB 4.08Å; E156-H190 HydrophobicContact CG-CB 4.06Å; E156-K192 WeakPolarHBondContact OE2-CE 3.44Å; E156-K192 IonicContact OE2-NZ 3.31Å; E156-K192 PolarHBondContact OE2-NZ 3.17Å; E156-R291 IonicContact OE1-CZ 3.94Å; E156-R291 IonicContact OE1-NH1 2.69Å; E156-R291 PolarHBondContact OE1-NH1 3.37Å; E156-R291 IonicContact OE1-NH2 3.6Å; E156-R291 PolarHBondContact OE1-NH2 2.92Å; E156-R291 IonicContact OE2-CZ 2.67Å; E156-R291 IonicContact OE2-NH1 2.61Å; E156-R291 PolarHBondContact OE2-NH1 3.37Å
157I98.7Very high97.9Very high0 Ų034.4 Ų34.40%019%0.192CC..EExtended strand (participates in β ladder)trans-129.9121.6-178.3-59.5-68.4000109S127 A129 I146 A149 I150 A154 V159 T189 H190 K192S127-I157 WeakPolarHBondContact O-CA 2.8Å; A129-I157 HydrophobicContact CB-CG2 3.77Å; I146-I157 HydrophobicContact CG1-CG2 4.08Å; I146-I157 HydrophobicContact CG2-CG1 4.32Å; I146-I157 HydrophobicContact CG2-CG2 4.36Å; A149-I157 HydrophobicContact CB-CD1 3.64Å; I150-I157 HydrophobicContact CD1-CG1 4.31Å; I150-I157 HydrophobicContact CG1-CD1 4.06Å; I150-I157 HydrophobicContact CG1-CG1 4.06Å; A154-I157 HydrophobicContact CB-CD1 3.92Å; I157-V159 HydrophobicContact CG2-CG1 3.67Å; I157-T189 HydrophobicContact CB-CG2 4.43Å; I157-T189 HydrophobicContact CG1-CG2 3.57Å; I157-H190 PolarHBondContact N-O 3.02Å; I157-K192 PolarHBondContact O-N 3.18Å
158D98.8Very high97.8Very high0 Ų036.1 Ų36.10%020%0.202CC..EExtended strand (participates in β ladder)trans-96.7100.8175-7737.1000108.7S127 V128 A129 K192 I194 K222 K258S127-D158 PolarHBondContact O-N 3.06Å; V128-D158 WeakPolarHBondContact CA-O 3.37Å; V128-D158 HydrophobicContact CG1-CB 4.26Å; A129-D158 PolarHBondContact N-O 3.49Å; D158-K192 CarbonylContact C-O 3.5Å; D158-K192 WeakPolarHBondContact CA-O 3.48Å; D158-K192 VanDerWaalsContact OD1-CD 3.3Å; D158-K192 WeakPolarHBondContact OD1-CD 3.2Å; D158-K192 WeakPolarHBondContact OD1-CG 3.39Å; D158-K192 IonicContact OD1-NZ 3.76Å; D158-K192 PolarHBondContact OD1-NZ 3.38Å; D158-I194 HydrophobicContact CB-CD1 4.02Å; D158-I194 HydrophobicContact CB-CG1 4.42Å; D158-K222 WeakPolarHBondContact OD2-CD 3.42Å; D158-K222 IonicContact OD2-NZ 3.36Å; D158-K222 PolarHBondContact OD2-NZ 2.93Å; D158-K258 IonicContact OD1-NZ 3.75Å; D158-K258 IonicContact OD2-NZ 2.64Å; D158-K258 PolarHBondContact OD2-NZ 3.05Å
159V98.5Very high97.7Very high0 Ų035.3 Ų35.30%020%0.202CC..EExtended strand (participates in β ladder)trans-93.8148.7179.9-56.80000111.3T130 I146 I157 M181 L191 K192 T193 I194T130-V159 HydrophobicContact CG2-CB 3.73Å; T130-V159 HydrophobicContact CG2-CG1 3.47Å; T130-V159 VanDerWaalsContact CG2-CG1 3.47Å; T130-V159 VanDerWaalsContact OG1-CA 3.3Å; T130-V159 WeakPolarHBondContact OG1-CA 3.24Å; T130-V159 WeakPolarHBondContact OG1-CB 3.49Å; I146-V159 HydrophobicContact CD1-CG1 3.9Å; I146-V159 HydrophobicContact CG1-CG1 4.31Å; I157-V159 HydrophobicContact CG2-CG1 3.67Å; V159-M181 HydrophobicContact CB-SD 3.77Å; V159-M181 HydrophobicContact CG1-CB 4.38Å; V159-M181 HydrophobicContact CG1-SD 4.14Å; V159-M181 HydrophobicContact CG2-SD 3.71Å; V159-L191 HydrophobicContact CB-CD1 4.18Å; V159-L191 HydrophobicContact CG1-CD1 3.5Å; V159-L191 HydrophobicContact CG2-CD1 3.57Å; V159-L191 HydrophobicContact CG2-CG 4.42Å; V159-K192 PolarHBondContact N-O 3.36Å; V159-T193 HydrophobicContact CG2-CG2 3.79Å; V159-I194 WeakPolarHBondContact O-CA 3.34Å; V159-I194 VanDerWaalsContact O-CB 3.27Å; V159-I194 WeakPolarHBondContact O-CB 3.45Å; V159-I194 WeakPolarHBondContact O-CG1 3.48Å; V159-I194 PolarHBondContact O-N 3.01Å
160V98.1Very high97.7Very high0 Ų038.5 Ų38.50%022%0.219CC..EExtended strand (participates in β ladder)trans-99.5128173.6-1710000109.4T130 F132 I194 T225T130-V160 PolarHBondContact OG1-N 3.11Å; F132-V160 HydrophobicContact CB-CG2 4.37Å; F132-V160 HydrophobicContact CD2-CG2 3.81Å; F132-V160 HydrophobicContact CG-CG2 4.49Å; V160-I194 HydrophobicContact CG2-CB 4.29Å; V160-I194 HydrophobicContact CG2-CD1 3.85Å; V160-T225 HydrophobicContact CG1-CG2 4.28Å; V160-T225 HydrophobicContact CG2-CG2 3.83Å
161I97.9Very high97.7Very high1 Ų137.4 Ų37.41%0.00521%0.212CC..PPolyproline II helixtrans-65154.917568.3171.3000111.1R163 A166 V174 V178 I194 L195 L200 A209I161-R163 HydrophobicContact CG1-CG 4.45Å; I161-R163 PolarHBondContact O-N 3.06Å; I161-A166 HydrophobicContact CD1-CB 4.38Å; I161-V174 HydrophobicContact CB-CG1 4.39Å; I161-V174 HydrophobicContact CG2-CG1 4.43Å; I161-V178 HydrophobicContact CG2-CG2 4.32Å; I161-I194 PolarHBondContact N-O 3.46Å; I161-L195 HydrophobicContact CD1-CB 4.36Å; I161-L195 HydrophobicContact CD1-CD2 4.35Å; I161-L195 WeakPolarHBondContact CD1-O 3.49Å; I161-L195 HydrophobicContact CG2-CD2 4.06Å; I161-L200 HydrophobicContact CD1-CD2 4.36Å; I161-A209 HydrophobicContact CD1-CB 4.14Å
162N97Very high97.7Very high26 Ų2635.8 Ų35.814%0.13920%0.2CC..  trans-74.595.8169.6-174-18.8000110.1T164 L165 A166 E177N162-T164 PolarHBondContact O-N 3.42Å; N162-T164 VanDerWaalsContact OD1-CB 3.31Å; N162-T164 WeakPolarHBondContact OD1-CB 3.25Å; N162-T164 PolarHBondContact OD1-N 3.22Å; N162-T164 VanDerWaalsContact OD1-N 3.11Å; N162-L165 HydrophobicContact CB-CB 4.48Å; N162-L165 HydrophobicContact CB-CD1 3.93Å; N162-L165 HydrophobicContact CB-CG 4.08Å; N162-L165 PolarHBondContact O-N 2.88Å; N162-L165 PolarHBondContact OD1-N 3.47Å; N162-A166 PolarHBondContact O-N 2.99Å; N162-E177 WeakPolarHBondContact CB-OE2 3.34Å; N162-E177 PolarHBondContact ND2-OE1 3.44Å; N162-E177 VanDerWaalsContact ND2-OE1 3.09Å
163R96.1Very high97.7Very high24 Ų2433.6 Ų33.69%0.09119%0.191CC..Hα-helixtrans-59.1-29.5179.3-72.3176.7-81.3-171.326.1113T134 I161 L165 A166 L167 A196 E199T134-R163 VanDerWaalsContact CA-NH2 3.29Å; T134-R163 PolarHBondContact O-NE 3.25Å; T134-R163 PolarHBondContact O-NH2 3.15Å; I161-R163 HydrophobicContact CG1-CG 4.45Å; I161-R163 PolarHBondContact O-N 3.06Å; R163-L165 VanDerWaalsContact C-N 3.35Å; R163-A166 PolarHBondContact O-N 3.41Å; R163-L167 VanDerWaalsContact O-CB 3.3Å; R163-L167 WeakPolarHBondContact O-CB 3.44Å; R163-L167 VanDerWaalsContact O-CG 3.22Å; R163-L167 WeakPolarHBondContact O-CG 3.37Å; R163-L167 PolarHBondContact O-N 3.39Å; R163-A196 HydrophobicContact CG-CB 4.19Å; R163-E199 WeakPolarHBondContact CD-OE2 3.38Å; R163-E199 IonicContact CZ-OE1 3.96Å; R163-E199 IonicContact CZ-OE2 2.77Å; R163-E199 IonicContact NE-OE2 3.69Å; R163-E199 IonicContact NH1-OE1 3.92Å; R163-E199 PolarHBondContact NH1-OE1 2.82Å; R163-E199 IonicContact NH1-OE2 3.04Å; R163-E199 PolarHBondContact NH1-OE2 2.81Å; R163-E199 IonicContact NH2-OE2 2.86Å
164T96.2Very high97.7Very high59 Ų5932 Ų3236%0.36217%0.174SC..Hα-helixtrans-62.2-44.9177.2-60.90000110.8N162 L167 Q168N162-T164 PolarHBondContact O-N 3.42Å; N162-T164 VanDerWaalsContact OD1-CB 3.31Å; N162-T164 WeakPolarHBondContact OD1-CB 3.25Å; N162-T164 PolarHBondContact OD1-N 3.22Å; N162-T164 VanDerWaalsContact OD1-N 3.11Å; T164-L167 PolarHBondContact O-N 3.49Å; T164-Q168 WeakPolarHBondContact O-CB 3.47Å; T164-Q168 VanDerWaalsContact O-CG 3.22Å; T164-Q168 WeakPolarHBondContact O-CG 3.44Å; T164-Q168 PolarHBondContact O-N 3.24Å
165L97.2Very high97.7Very high28 Ų2833 Ų3315%0.14718%0.178CC..Hα-helixtrans-63.9-46.7176.9-60.2178.1000111N162 R163 L167 Q168 G169 D170 V174 E177N162-L165 HydrophobicContact CB-CB 4.48Å; N162-L165 HydrophobicContact CB-CD1 3.93Å; N162-L165 HydrophobicContact CB-CG 4.08Å; N162-L165 PolarHBondContact O-N 2.88Å; N162-L165 PolarHBondContact OD1-N 3.47Å; R163-L165 VanDerWaalsContact C-N 3.35Å; L165-L167 PolarHBondContact O-N 3.46Å; L165-Q168 CarbonylContact O-C 3.56Å; L165-Q168 PolarHBondContact O-N 3.21Å; L165-Q168 VanDerWaalsContact O-N 3.16Å; L165-G169 PolarHBondContact O-N 2.96Å; L165-G169 VanDerWaalsContact O-N 3.1Å; L165-D170 HydrophobicContact CB-CB 4.21Å; L165-D170 HydrophobicContact CD2-CB 4.29Å; L165-D170 PolarHBondContact O-N 3.49Å; L165-V174 HydrophobicContact CB-CG2 3.64Å; L165-E177 HydrophobicContact CD1-CG 4.23Å
166A97.4Very high97.8Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-59-45.3177.800000112.4I161 N162 R163 Q168 G169 W171 V174 L200I161-A166 HydrophobicContact CD1-CB 4.38Å; N162-A166 PolarHBondContact O-N 2.99Å; R163-A166 PolarHBondContact O-N 3.41Å; A166-Q168 VanDerWaalsContact C-N 3.28Å; A166-Q168 PolarHBondContact O-N 3.33Å; A166-G169 PolarHBondContact O-N 3.48Å; A166-W171 HydrophobicContact CB-CH2 4Å; A166-W171 HydrophobicContact CB-CZ3 3.8Å; A166-V174 HydrophobicContact CB-CG2 4.14Å; A166-L200 HydrophobicContact CB-CD2 3.95Å
167L96.7Very high97.7Very high87 Ų8735.6 Ų35.646%0.45519%0.191SC..Hα-helixtrans-70.1-23.5179-70.5172.3000113.3R163 T164 L165 G169R163-L167 VanDerWaalsContact O-CB 3.3Å; R163-L167 WeakPolarHBondContact O-CB 3.44Å; R163-L167 VanDerWaalsContact O-CG 3.22Å; R163-L167 WeakPolarHBondContact O-CG 3.37Å; R163-L167 PolarHBondContact O-N 3.39Å; T164-L167 PolarHBondContact O-N 3.49Å; L165-L167 PolarHBondContact O-N 3.46Å; L167-G169 VanDerWaalsContact C-N 3.3Å
168Q97Very high97.7Very high142 Ų14235.7 Ų35.766%0.66419%0.191SC*.THydrogen-bonded Turntrans-84.6-4.7171.7-71.6173.3-7.100112.9T164 L165 A166 D170T164-Q168 WeakPolarHBondContact O-CB 3.47Å; T164-Q168 VanDerWaalsContact O-CG 3.22Å; T164-Q168 WeakPolarHBondContact O-CG 3.44Å; T164-Q168 PolarHBondContact O-N 3.24Å; L165-Q168 CarbonylContact O-C 3.56Å; L165-Q168 PolarHBondContact O-N 3.21Å; L165-Q168 VanDerWaalsContact O-N 3.16Å; A166-Q168 VanDerWaalsContact C-N 3.28Å; A166-Q168 PolarHBondContact O-N 3.33Å; Q168-D170 VanDerWaalsContact C-N 3.25Å; Q168-D170 PolarHBondContact O-N 2.8Å
169G96.3Very high97.7Very high40 Ų4036 Ų3641%0.41219%0.193SC..THydrogen-bonded Turntrans74.313.1-175.200000114L165 A166 L167 W171L165-G169 PolarHBondContact O-N 2.96Å; L165-G169 VanDerWaalsContact O-N 3.1Å; A166-G169 PolarHBondContact O-N 3.48Å; L167-G169 VanDerWaalsContact C-N 3.3Å; G169-W171 PolarHBondContact O-N 3.21Å
170D97.9Very high97.7Very high68 Ų6837.2 Ų37.236%0.36420%0.203SC..  trans-80.770.6175.4-174.810.3000110.7L165 Q168 E172 G173 V174L165-D170 HydrophobicContact CB-CB 4.21Å; L165-D170 HydrophobicContact CD2-CB 4.29Å; L165-D170 PolarHBondContact O-N 3.49Å; Q168-D170 VanDerWaalsContact C-N 3.25Å; Q168-D170 PolarHBondContact O-N 2.8Å; D170-E172 VanDerWaalsContact C-N 3.33Å; D170-G173 PolarHBondContact O-N 3.08Å; D170-G173 WeakPolarHBondContact OD1-CA 3.41Å; D170-G173 PolarHBondContact OD1-N 2.92Å; D170-V174 WeakPolarHBondContact O-CG2 3.22Å; D170-V174 PolarHBondContact O-N 2.76Å; D170-V174 VanDerWaalsContact O-N 3.07Å
171W98.3Very high97.7Very high20 Ų2037.2 Ų37.28%0.07620%0.203CC..Hα-helixtrans-67.9-32-179-63.3114000113Y9 L14 A166 G169 V174 Y175 N205 K208 A209 V212Y9-W171 WeakPolarHBondContact OH-CB 3.44Å; L14-W171 HydrophobicContact CD1-CB 3.7Å; L14-W171 HydrophobicContact CD1-CG 3.94Å; A166-W171 HydrophobicContact CB-CH2 4Å; A166-W171 HydrophobicContact CB-CZ3 3.8Å; G169-W171 PolarHBondContact O-N 3.21Å; W171-V174 PolarHBondContact O-N 3.24Å; W171-Y175 WeakPolarHBondContact O-CB 3.37Å; W171-Y175 PolarHBondContact O-N 2.93Å; W171-N205 HydrophobicContact CH2-CB 3.96Å; W171-N205 WeakPolarHBondContact CH2-O 3.27Å; W171-N205 HydrophobicContact CZ2-CB 4.21Å; W171-N205 WeakPolarHBondContact CZ2-OD1 3.17Å; W171-K208 HydrophobicContact CD2-CB 3.89Å; W171-K208 HydrophobicContact CD2-CD 4.47Å; W171-K208 HydrophobicContact CE3-CB 4Å; W171-K208 HydrophobicContact CH2-CB 3.68Å; W171-K208 HydrophobicContact CZ2-CB 3.55Å; W171-K208 HydrophobicContact CZ2-CD 3.7Å; W171-K208 HydrophobicContact CZ2-CG 4.26Å; W171-K208 HydrophobicContact CZ3-CB 3.91Å; W171-A209 HydrophobicContact CH2-CB 4.41Å; W171-A209 HydrophobicContact CZ3-CB 3.88Å; W171-V212 HydrophobicContact CB-CG2 3.93Å; W171-V212 HydrophobicContact CE3-CG2 4.14Å
172E98.4Very high97.7Very high104 Ų10437.7 Ų37.749%0.48621%0.205SC..Hα-helixtrans-69.2-37.7173.8-170.7174.2-17100110.8Y9 D170 Y175 N176Y9-E172 HydrophobicContact CD1-CG 4.37Å; Y9-E172 HydrophobicContact CE1-CB 4.11Å; Y9-E172 HydrophobicContact CE1-CG 4.33Å; Y9-E172 HydrophobicContact CE2-CB 4.33Å; D170-E172 VanDerWaalsContact C-N 3.33Å; E172-Y175 WeakPolarHBondContact O-CB 3.48Å; E172-Y175 PolarHBondContact O-N 2.93Å; E172-N176 WeakPolarHBondContact O-CB 3.41Å; E172-N176 PolarHBondContact O-N 2.8Å; E172-N176 PolarHBondContact O-ND2 2.72Å; E172-N176 VanDerWaalsContact O-ND2 3.08Å
173G98.3Very high97.8Very high12 Ų1243.8 Ų43.812%0.12423%0.23CC..Hα-helixtrans-59-47.6170.100000112.6D170 Y175 N176 E177D170-G173 PolarHBondContact O-N 3.08Å; D170-G173 WeakPolarHBondContact OD1-CA 3.41Å; D170-G173 PolarHBondContact OD1-N 2.92Å; G173-Y175 PolarHBondContact O-N 2.81Å; G173-N176 PolarHBondContact O-N 3.2Å; G173-E177 PolarHBondContact O-N 3.48Å
174V98.2Very high97.8Very high1 Ų143.5 Ų43.51%0.00623%0.233CC..Hα-helixtrans-59.3-46.91741790000110.7I161 L165 A166 D170 W171 N176 E177 V178 V212I161-V174 HydrophobicContact CB-CG1 4.39Å; I161-V174 HydrophobicContact CG2-CG1 4.43Å; L165-V174 HydrophobicContact CB-CG2 3.64Å; A166-V174 HydrophobicContact CB-CG2 4.14Å; D170-V174 WeakPolarHBondContact O-CG2 3.22Å; D170-V174 PolarHBondContact O-N 2.76Å; D170-V174 VanDerWaalsContact O-N 3.07Å; W171-V174 PolarHBondContact O-N 3.24Å; V174-N176 VanDerWaalsContact C-N 3.33Å; V174-N176 PolarHBondContact O-N 2.99Å; V174-E177 PolarHBondContact O-N 2.84Å; V174-V178 HydrophobicContact CG1-CG2 4.36Å; V174-V178 WeakPolarHBondContact O-CG2 3.48Å; V174-V178 PolarHBondContact O-N 3.29Å; V174-V212 HydrophobicContact CB-CG1 3.94Å; V174-V212 HydrophobicContact CG1-CG1 3.72Å
175Y98.7Very high97.9Very high27 Ų2741 Ų4111%0.10622%0.218CC..Hα-helixtrans-55.7-47.7177.5169.1-95.8000111.5I6 Q7 Y9 W171 E172 G173 V178 C179 V212 L215 A216I6-Y175 HydrophobicContact CG2-CE2 4.43Å; I6-Y175 VanDerWaalsContact CG2-OH 3.25Å; I6-Y175 WeakPolarHBondContact CG2-OH 3.49Å; Q7-Y175 PolarHBondContact O-OH 3.06Å; Y9-Y175 HydrophobicContact CD2-CD1 4.06Å; Y9-Y175 AromaticContact CD2-CD2 3.92Å; Y9-Y175 HydrophobicContact CD2-CD2 3.92Å; Y9-Y175 AromaticContact CD2-CG 3.63Å; Y9-Y175 HydrophobicContact CD2-CG 3.63Å; Y9-Y175 HydrophobicContact CE2-CG 4.46Å; Y9-Y175 HydrophobicContact CG-CD1 4.33Å; Y9-Y175 HydrophobicContact CG-CG 4.31Å; W171-Y175 WeakPolarHBondContact O-CB 3.37Å; W171-Y175 PolarHBondContact O-N 2.93Å; E172-Y175 WeakPolarHBondContact O-CB 3.48Å; E172-Y175 PolarHBondContact O-N 2.93Å; G173-Y175 PolarHBondContact O-N 2.81Å; Y175-V178 PolarHBondContact O-N 2.89Å; Y175-C179 WeakPolarHBondContact O-CB 3.27Å; Y175-C179 PolarHBondContact O-N 2.91Å; Y175-C179 PolarHBondContact O-SG 3.26Å; Y175-V212 VanDerWaalsContact CA-CG1 3.47Å; Y175-V212 VanDerWaalsContact N-CG1 3.31Å; Y175-L215 HydrophobicContact CD2-CB 4.14Å; Y175-L215 HydrophobicContact CE2-CB 4.08Å; Y175-A216 HydrophobicContact CD2-CB 3.77Å; Y175-A216 HydrophobicContact CE2-CB 4.12Å
176N98.5Very high97.8Very high83 Ų8341 Ų4144%0.44422%0.224SC..Hα-helixtrans-65.1-42.3-177.8-75-34.1000112.2E172 G173 V174 C179 A180E172-N176 WeakPolarHBondContact O-CB 3.41Å; E172-N176 PolarHBondContact O-N 2.8Å; E172-N176 PolarHBondContact O-ND2 2.72Å; E172-N176 VanDerWaalsContact O-ND2 3.08Å; G173-N176 PolarHBondContact O-N 3.2Å; V174-N176 VanDerWaalsContact C-N 3.33Å; V174-N176 PolarHBondContact O-N 2.99Å; N176-C179 PolarHBondContact O-N 3.1Å; N176-A180 PolarHBondContact O-N 2.93Å
177E98.2Very high97.6Very high26 Ų2648.1 Ų48.112%0.12126%0.262CS..Hα-helixtrans-63.5-45.6175.2-72.7-160174.500111.8L139 R142 N162 L165 G173 V174 C179 A180 M181L139-E177 HydrophobicContact CD1-CB 4.26Å; L139-E177 HydrophobicContact CD1-CG 4.2Å; L139-E177 HydrophobicContact CD2-CG 4.22Å; R142-E177 IonicContact CZ-OE1 3.22Å; R142-E177 IonicContact CZ-OE2 3.66Å; R142-E177 IonicContact NH1-OE2 3.85Å; R142-E177 PolarHBondContact NH1-OE2 2.85Å; R142-E177 IonicContact NH2-OE1 2.79Å; R142-E177 PolarHBondContact NH2-OE1 2.76Å; R142-E177 IonicContact NH2-OE2 2.8Å; R142-E177 PolarHBondContact NH2-OE2 2.9Å; N162-E177 WeakPolarHBondContact CB-OE2 3.34Å; N162-E177 PolarHBondContact ND2-OE1 3.44Å; N162-E177 VanDerWaalsContact ND2-OE1 3.09Å; L165-E177 HydrophobicContact CD1-CG 4.23Å; G173-E177 PolarHBondContact O-N 3.48Å; V174-E177 PolarHBondContact O-N 2.84Å; E177-C179 VanDerWaalsContact C-N 3.32Å; E177-C179 PolarHBondContact O-N 3.12Å; E177-A180 WeakPolarHBondContact O-CB 3.29Å; E177-A180 PolarHBondContact O-N 3.43Å; E177-A180 VanDerWaalsContact O-N 3.12Å; E177-M181 HydrophobicContact CB-CE 4.37Å; E177-M181 WeakPolarHBondContact O-CG 3.28Å; E177-M181 PolarHBondContact O-N 2.94Å
178V98.4Very high97.5Very high1 Ų152.6 Ų52.61%0.00628%0.281CS..Hα-helixtrans-66.1-36.3179178.70000111I161 V174 Y175 A180 M181 R182 L191 T193 A216I161-V178 HydrophobicContact CG2-CG2 4.32Å; V174-V178 HydrophobicContact CG1-CG2 4.36Å; V174-V178 WeakPolarHBondContact O-CG2 3.48Å; V174-V178 PolarHBondContact O-N 3.29Å; Y175-V178 PolarHBondContact O-N 2.89Å; V178-A180 VanDerWaalsContact C-N 3.3Å; V178-A180 PolarHBondContact O-N 3.04Å; V178-M181 CarbonylContact O-C 3.49Å; V178-M181 WeakPolarHBondContact O-CB 3.45Å; V178-M181 PolarHBondContact O-N 3.49Å; V178-M181 VanDerWaalsContact O-N 3.16Å; V178-R182 WeakPolarHBondContact O-CB 3.1Å; V178-R182 PolarHBondContact O-N 3.14Å; V178-L191 HydrophobicContact CG1-CD2 4.13Å; V178-T193 HydrophobicContact CG1-CG2 3.75Å; V178-T193 HydrophobicContact CG2-CG2 4.44Å; V178-A216 HydrophobicContact CB-CB 3.57Å; V178-A216 HydrophobicContact CG1-CB 3.45Å; V178-A216 VanDerWaalsContact CG1-CB 3.45Å
179C98.5Very high97.5Very high8 Ų846.3 Ų46.35%0.05425%0.252CS..Hα-helixtrans-59.7-40.4171.8-770000112I6 Y175 N176 E177 R182 K183I6-C179 HydrophobicContact CD1-CB 4.03Å; Y175-C179 WeakPolarHBondContact O-CB 3.27Å; Y175-C179 PolarHBondContact O-N 2.91Å; Y175-C179 PolarHBondContact O-SG 3.26Å; N176-C179 PolarHBondContact O-N 3.1Å; E177-C179 VanDerWaalsContact C-N 3.32Å; E177-C179 PolarHBondContact O-N 3.12Å; C179-R182 PolarHBondContact O-N 3.41Å; C179-K183 VanDerWaalsContact O-CG 3.27Å; C179-K183 WeakPolarHBondContact O-CG 3.46Å; C179-K183 PolarHBondContact O-N 3.28Å
180A98.5Very high97.6Very high25 Ų2545.1 Ų45.121%0.20724%0.236CC..Hα-helixtrans-65.7-41175.500000111.4L139 L143 N176 E177 V178 K183 A184L139-A180 HydrophobicContact CD2-CB 4.29Å; L143-A180 HydrophobicContact CD1-CB 4.18Å; L143-A180 HydrophobicContact CD2-CB 4.07Å; N176-A180 PolarHBondContact O-N 2.93Å; E177-A180 WeakPolarHBondContact O-CB 3.29Å; E177-A180 PolarHBondContact O-N 3.43Å; E177-A180 VanDerWaalsContact O-N 3.12Å; V178-A180 VanDerWaalsContact C-N 3.3Å; V178-A180 PolarHBondContact O-N 3.04Å; A180-K183 PolarHBondContact O-N 3.49Å; A180-A184 PolarHBondContact O-N 3.4Å
181M98.2Very high97.6Very high0 Ų041.9 Ų41.90%022%0.218CC..Hα-helixtrans-64.5-41.7175.4-63.9169.1-173.100111.9T130 L139 L143 I146 V159 E177 V178 K183 A184 C185T130-M181 HydrophobicContact CG2-CE 4.02Å; T130-M181 HydrophobicContact CG2-CG 4.15Å; T130-M181 HydrophobicContact CG2-SD 4Å; L139-M181 HydrophobicContact CD1-CE 4.09Å; L143-M181 HydrophobicContact CD2-CB 4.46Å; L143-M181 HydrophobicContact CD2-CG 3.99Å; I146-M181 HydrophobicContact CD1-CB 3.72Å; I146-M181 HydrophobicContact CD1-CG 3.87Å; V159-M181 HydrophobicContact CB-SD 3.77Å; V159-M181 HydrophobicContact CG1-CB 4.38Å; V159-M181 HydrophobicContact CG1-SD 4.14Å; V159-M181 HydrophobicContact CG2-SD 3.71Å; E177-M181 HydrophobicContact CB-CE 4.37Å; E177-M181 WeakPolarHBondContact O-CG 3.28Å; E177-M181 PolarHBondContact O-N 2.94Å; V178-M181 CarbonylContact O-C 3.49Å; V178-M181 WeakPolarHBondContact O-CB 3.45Å; V178-M181 PolarHBondContact O-N 3.49Å; V178-M181 VanDerWaalsContact O-N 3.16Å; M181-K183 PolarHBondContact O-N 3.09Å; M181-A184 WeakPolarHBondContact O-CB 3.33Å; M181-A184 PolarHBondContact O-N 2.94Å; M181-A184 VanDerWaalsContact O-N 3.15Å; M181-C185 PolarHBondContact O-N 3.34Å; M181-C185 PolarHBondContact O-SG 3.44Å
182R97.9Very high97.7Very high10 Ų1040.9 Ų40.94%0.03822%0.215CC..Hα-helixtrans-58-47.3174.5178.166.5-77.7173.4-1.4111.7V3 I6 V178 C179 A184 C185 G186 T189 L191 A216 G217 D219V3-R182 VanDerWaalsContact CG1-CZ 3.44Å; I6-R182 HydrophobicContact CD1-CB 4.44Å; I6-R182 HydrophobicContact CD1-CG 4.17Å; I6-R182 HydrophobicContact CG1-CG 3.94Å; V178-R182 WeakPolarHBondContact O-CB 3.1Å; V178-R182 PolarHBondContact O-N 3.14Å; C179-R182 PolarHBondContact O-N 3.41Å; R182-A184 VanDerWaalsContact C-N 3.32Å; R182-A184 PolarHBondContact O-N 2.83Å; R182-C185 PolarHBondContact O-N 2.99Å; R182-G186 PolarHBondContact NH2-O 3.41Å; R182-G186 PolarHBondContact O-N 3.35Å; R182-T189 PolarHBondContact NH2-O 2.93Å; R182-L191 HydrophobicContact CB-CD2 3.92Å; R182-A216 WeakPolarHBondContact CB-O 3.25Å; R182-G217 WeakPolarHBondContact CD-O 3.36Å; R182-G217 PolarHBondContact NH1-O 3.29Å; R182-D219 IonicContact CZ-OD2 3.5Å; R182-D219 IonicContact NH1-OD1 2.74Å; R182-D219 IonicContact NH1-OD2 2.81Å; R182-D219 PolarHBondContact NH1-OD2 2.88Å
183K97.8Very high97.7Very high154 Ų15436 Ų3667%0.6719%0.192SC*.Hα-helixtrans-62.2-39.4175-71.3169.5-175.4175.70111.8I6 C179 A180 M181 C185 G186I6-K183 HydrophobicContact CD1-CG 4.27Å; C179-K183 VanDerWaalsContact O-CG 3.27Å; C179-K183 WeakPolarHBondContact O-CG 3.46Å; C179-K183 PolarHBondContact O-N 3.28Å; A180-K183 PolarHBondContact O-N 3.49Å; M181-K183 PolarHBondContact O-N 3.09Å; K183-C185 VanDerWaalsContact C-N 3.28Å; K183-C185 PolarHBondContact O-N 3.38Å; K183-G186 PolarHBondContact O-N 2.7Å
184A97.9Very high97.7Very high18 Ų1835.4 Ų35.415%0.14919%0.186CC..Hα-helixtrans-67.2-28.2177.100000113.3L143 I146 A180 M181 R182 G186L143-A184 HydrophobicContact CD2-CB 3.96Å; I146-A184 HydrophobicContact CB-CB 4.34Å; I146-A184 HydrophobicContact CD1-CB 4.2Å; I146-A184 HydrophobicContact CG2-CB 4.04Å; A180-A184 PolarHBondContact O-N 3.4Å; M181-A184 WeakPolarHBondContact O-CB 3.33Å; M181-A184 PolarHBondContact O-N 2.94Å; M181-A184 VanDerWaalsContact O-N 3.15Å; R182-A184 VanDerWaalsContact C-N 3.32Å; R182-A184 PolarHBondContact O-N 2.83Å; A184-G186 VanDerWaalsContact C-N 3.34Å
185C97.8Very high97.7Very high7 Ų735.3 Ų35.35%0.04719%0.186CC..Hα-helixtrans-75-22.6173.4-66.20000113.4I146 I150 M181 R182 K183 T189I146-C185 VanDerWaalsContact CG2-SG 3.54Å; I150-C185 HydrophobicContact CD1-CB 4.44Å; M181-C185 PolarHBondContact O-N 3.34Å; M181-C185 PolarHBondContact O-SG 3.44Å; R182-C185 PolarHBondContact O-N 2.99Å; K183-C185 VanDerWaalsContact C-N 3.28Å; K183-C185 PolarHBondContact O-N 3.38Å; C185-T189 HydrophobicContact CB-CG2 4.36Å; C185-T189 WeakPolarHBondContact O-CB 3.24Å
186G95.4Very high97.6Very high27 Ų2734 Ų3428%0.27818%0.181SC..THydrogen-bonded Turntrans63.7-159.6-174.900000113.3R182 K183 A184R182-G186 PolarHBondContact NH2-O 3.41Å; R182-G186 PolarHBondContact O-N 3.35Å; K183-G186 PolarHBondContact O-N 2.7Å; A184-G186 VanDerWaalsContact C-N 3.34Å
187D93.4Very high97.6Very high150 Ų15030.4 Ų30.480%0.80216%0.161SC*.THydrogen-bonded Turntrans-96.61.1-166.9-55.3-34.8000114.4V3V3-D187 VanDerWaalsContact CG2-O 3.24Å; V3-D187 WeakPolarHBondContact CG2-O 3.43Å
188Q93.7Very high97.5Very high182 Ų18230.7 Ų30.785%0.8517%0.171SC*.THydrogen-bonded Turntrans-118.1-23.2-176.2-67.3-177.370.900113.4
189T97.6Very high97.3Very high9 Ų934.5 Ų34.56%0.05519%0.189CC..SBendtrans-96.7137.6-176.5-59.40000110.2I150 N155 I157 R182 C185I150-T189 HydrophobicContact CD1-CG2 3.83Å; I150-T189 HydrophobicContact CG1-CG2 3.87Å; N155-T189 CarbonylContact O-C 3.51Å; N155-T189 WeakPolarHBondContact O-CA 3.28Å; N155-T189 WeakPolarHBondContact O-CG2 3.4Å; I157-T189 HydrophobicContact CB-CG2 4.43Å; I157-T189 HydrophobicContact CG1-CG2 3.57Å; R182-T189 PolarHBondContact NH2-O 2.93Å; C185-T189 HydrophobicContact CB-CG2 4.36Å; C185-T189 WeakPolarHBondContact O-CB 3.24Å
190H98Very high97.2Very high15 Ų1534.1 Ų34.17%0.06919%0.187CC..EExtended strand (participates in β ladder)trans-80.3134.9177.2-86.1-130.9000112.1M1 K2 N155 E156 I157 D219M1-H190 WeakPolarHBondContact CB-CE1 3.42Å; M1-H190 VanDerWaalsContact CB-NE2 3.34Å; M1-H190 WeakPolarHBondContact CB-NE2 3.29Å; M1-H190 PolarHBondContact SD-CE1 3.02Å; K2-H190 PolarHBondContact O-NE2 3.39Å; N155-H190 PolarHBondContact O-N 2.93Å; E156-H190 CarbonylContact C-O 3.39Å; E156-H190 WeakPolarHBondContact CA-O 3.31Å; E156-H190 HydrophobicContact CB-CB 4.08Å; E156-H190 HydrophobicContact CG-CB 4.06Å; I157-H190 PolarHBondContact N-O 3.02Å; H190-D219 VanDerWaalsContact CA-OD2 3.25Å; H190-D219 WeakPolarHBondContact CA-OD2 3.18Å
191L98.6Very high96.8Very high0 Ų038.1 Ų38.10%021%0.213CC..EExtended strand (participates in β ladder)trans-104.4116.8176.2-179.865000110.1V159 V178 R182 T193 D219 F220V159-L191 HydrophobicContact CB-CD1 4.18Å; V159-L191 HydrophobicContact CG1-CD1 3.5Å; V159-L191 HydrophobicContact CG2-CD1 3.57Å; V159-L191 HydrophobicContact CG2-CG 4.42Å; V178-L191 HydrophobicContact CG1-CD2 4.13Å; R182-L191 HydrophobicContact CB-CD2 3.92Å; L191-T193 HydrophobicContact CD2-CG2 4.28Å; L191-T193 HydrophobicContact CG-CG2 4.21Å; L191-D219 PolarHBondContact N-OD2 3.05Å; L191-D219 WeakPolarHBondContact O-CB 3.47Å; L191-D219 PolarHBondContact O-N 2.93Å; L191-F220 PolarHBondContact O-N 3.33Å; L191-F220 VanDerWaalsContact O-N 3.14Å
192K98.8Very high96.5Very high0 Ų040.5 Ų40.50%023%0.229CC..EExtended strand (participates in β ladder)trans-106127.1168-40.2-160.5-164.763.40109.2D53 E156 I157 D158 V159 F220 K258D53-K192 IonicContact OD2-NZ 2.64Å; E156-K192 WeakPolarHBondContact OE2-CE 3.44Å; E156-K192 IonicContact OE2-NZ 3.31Å; E156-K192 PolarHBondContact OE2-NZ 3.17Å; I157-K192 PolarHBondContact O-N 3.18Å; D158-K192 CarbonylContact C-O 3.5Å; D158-K192 WeakPolarHBondContact CA-O 3.48Å; D158-K192 VanDerWaalsContact OD1-CD 3.3Å; D158-K192 WeakPolarHBondContact OD1-CD 3.2Å; D158-K192 WeakPolarHBondContact OD1-CG 3.39Å; D158-K192 IonicContact OD1-NZ 3.76Å; D158-K192 PolarHBondContact OD1-NZ 3.38Å; V159-K192 PolarHBondContact N-O 3.36Å; K192-F220 CarbonylContact C-O 3.57Å; K192-F220 WeakPolarHBondContact CA-O 3.22Å; K192-F220 HydrophobicContact CB-CB 3.85Å; K192-F220 HydrophobicContact CD-CB 3.95Å; K192-F220 HydrophobicContact CD-CD2 4.43Å; K192-F220 HydrophobicContact CD-CG 4.09Å; K192-F220 HydrophobicContact CG-CB 3.78Å; K192-F220 HydrophobicContact CG-CD2 4.48Å; K192-F220 HydrophobicContact CG-CG 4.28Å; K192-K258 HydrophobicContact CD-CD 3.7Å
193T98.7Very high96.3Very high0 Ų042.1 Ų42.10%024%0.236CC..EExtended strand (participates in β ladder)trans-101.1111.2-178.648.50000110.4V159 V178 L191 L195 C213 A218 F220 K222V159-T193 HydrophobicContact CG2-CG2 3.79Å; V178-T193 HydrophobicContact CG1-CG2 3.75Å; V178-T193 HydrophobicContact CG2-CG2 4.44Å; L191-T193 HydrophobicContact CD2-CG2 4.28Å; L191-T193 HydrophobicContact CG-CG2 4.21Å; T193-L195 PolarHBondContact O-N 2.98Å; T193-C213 HydrophobicContact CG2-CB 3.97Å; T193-C213 VanDerWaalsContact OG1-CB 3.28Å; T193-C213 WeakPolarHBondContact OG1-CB 3.3Å; T193-A218 HydrophobicContact CG2-CB 3.65Å; T193-A218 WeakPolarHBondContact OG1-CB 3.38Å; T193-F220 PolarHBondContact N-O 2.8Å; T193-F220 PolarHBondContact OG1-O 3Å; T193-F220 VanDerWaalsContact OG1-O 3.1Å; T193-K222 WeakPolarHBondContact O-CA 3.27Å; T193-K222 PolarHBondContact O-N 3.43Å
194I98.8Very high96.1Very high0 Ų037 Ų370%022%0.216CC..EExtended strand (participates in β ladder)trans-77.6113.4173.7-55.8165.8000108.4F132 D158 V159 V160 I161 K222 T225F132-I194 HydrophobicContact CD2-CD1 4.13Å; F132-I194 HydrophobicContact CE2-CD1 4.1Å; D158-I194 HydrophobicContact CB-CD1 4.02Å; D158-I194 HydrophobicContact CB-CG1 4.42Å; V159-I194 WeakPolarHBondContact O-CA 3.34Å; V159-I194 VanDerWaalsContact O-CB 3.27Å; V159-I194 WeakPolarHBondContact O-CB 3.45Å; V159-I194 WeakPolarHBondContact O-CG1 3.48Å; V159-I194 PolarHBondContact O-N 3.01Å; V160-I194 HydrophobicContact CG2-CB 4.29Å; V160-I194 HydrophobicContact CG2-CD1 3.85Å; I161-I194 PolarHBondContact N-O 3.46Å; I194-K222 CarbonylContact C-O 3.44Å; I194-K222 WeakPolarHBondContact CA-O 3.24Å; I194-K222 HydrophobicContact CB-CG 4.49Å; I194-K222 HydrophobicContact CD1-CD 4.22Å; I194-K222 HydrophobicContact CG1-CB 4.16Å; I194-K222 HydrophobicContact CG1-CD 3.53Å; I194-K222 HydrophobicContact CG1-CG 3.86Å; I194-T225 HydrophobicContact CD1-CG2 4.28Å; I194-T225 HydrophobicContact CG2-CG2 3.66Å
195L98.4Very high96Very high0 Ų037.5 Ų37.50%022%0.216CC..  trans-83.8-17.2-178.2-51.4-170.8000112.9I161 T193 T197 L200 A209 S210 C213 K222 M240I161-L195 HydrophobicContact CD1-CB 4.36Å; I161-L195 HydrophobicContact CD1-CD2 4.35Å; I161-L195 WeakPolarHBondContact CD1-O 3.49Å; I161-L195 HydrophobicContact CG2-CD2 4.06Å; T193-L195 PolarHBondContact O-N 2.98Å; L195-T197 VanDerWaalsContact C-N 3.33Å; L195-T197 HydrophobicContact CB-CG2 3.88Å; L195-T197 HydrophobicContact CD1-CG2 4.48Å; L195-T197 PolarHBondContact O-N 3.49Å; L195-L200 HydrophobicContact CB-CD1 4.17Å; L195-L200 WeakPolarHBondContact O-CD1 3.39Å; L195-A209 HydrophobicContact CB-CB 4.49Å; L195-A209 HydrophobicContact CD1-CB 4.09Å; L195-A209 HydrophobicContact CD2-CB 4.21Å; L195-S210 VanDerWaalsContact CD1-OG 3.28Å; L195-S210 WeakPolarHBondContact CD1-OG 3.48Å; L195-C213 HydrophobicContact CD2-CB 4.29Å; L195-C213 VanDerWaalsContact CD2-SG 3.51Å; L195-K222 PolarHBondContact N-O 2.86Å; L195-M240 HydrophobicContact CD1-CE 3.67Å; L195-M240 HydrophobicContact CD1-SD 4.29Å; L195-M240 HydrophobicContact CG-CE 4.28Å
196A97.3Very high96Very high0 Ų037.3 Ų37.30%021%0.214CC..  trans52.451.8-173.800000111.5R163 G198 E199 T223 E228R163-A196 HydrophobicContact CG-CB 4.19Å; A196-G198 PolarHBondContact O-N 3.33Å; A196-E199 PolarHBondContact O-N 3.44Å; A196-T223 WeakPolarHBondContact CA-O 3.47Å; A196-T223 PolarHBondContact N-O 3.37Å; A196-E228 WeakPolarHBondContact CB-OE1 3.37Å
197T97.3Very high96.1Very high7 Ų736.3 Ų36.34%0.04320%0.202CC..G310 helixtrans-56.5-28.6-167.750.20000114.9L195 E199 L200 V206 T223 V236 M240L195-T197 VanDerWaalsContact C-N 3.33Å; L195-T197 HydrophobicContact CB-CG2 3.88Å; L195-T197 HydrophobicContact CD1-CG2 4.48Å; L195-T197 PolarHBondContact O-N 3.49Å; T197-E199 PolarHBondContact O-N 2.87Å; T197-L200 PolarHBondContact O-N 3.19Å; T197-V206 HydrophobicContact CG2-CG1 4.01Å; T197-V206 HydrophobicContact CG2-CG2 4Å; T197-T223 PolarHBondContact N-O 3.31Å; T197-T223 PolarHBondContact OG1-O 2.94Å; T197-V236 VanDerWaalsContact CB-CG1 3.44Å; T197-V236 HydrophobicContact CG2-CG1 3.57Å; T197-V236 WeakPolarHBondContact OG1-CG1 3.17Å; T197-M240 HydrophobicContact CG2-SD 3.79Å
198G95.6Very high96.2Very high32 Ų3231.2 Ų31.233%0.3317%0.173SC..G310 helixtrans-65.7-15.2175.600000114.3A196 V230A196-G198 PolarHBondContact O-N 3.33Å; G198-V230 WeakPolarHBondContact CA-O 3.15Å
199E96.2Very high96.5Very high81 Ų8122.6 Ų22.638%0.37913%0.133SC..G310 helixtrans-112.10.4179.4-64.9-177.7-156.600113.1R163 A196 T197 S201 E228R163-E199 WeakPolarHBondContact CD-OE2 3.38Å; R163-E199 IonicContact CZ-OE1 3.96Å; R163-E199 IonicContact CZ-OE2 2.77Å; R163-E199 IonicContact NE-OE2 3.69Å; R163-E199 IonicContact NH1-OE1 3.92Å; R163-E199 PolarHBondContact NH1-OE1 2.82Å; R163-E199 IonicContact NH1-OE2 3.04Å; R163-E199 PolarHBondContact NH1-OE2 2.81Å; R163-E199 IonicContact NH2-OE2 2.86Å; A196-E199 PolarHBondContact O-N 3.44Å; T197-E199 PolarHBondContact O-N 2.87Å; E199-S201 PolarHBondContact O-N 3.36Å; E199-E228 HydrophobicContact CG-CG 4.3Å; E199-E228 WeakPolarHBondContact OE1-CG 3.37Å
200L95.7Very high96.5Very high0 Ų022.1 Ų22.10%013%0.13CC..SBendtrans-80.3-0.3178.5-68-174.1000114I161 A166 L195 T197 S202 N205 V206 A209I161-L200 HydrophobicContact CD1-CD2 4.36Å; A166-L200 HydrophobicContact CB-CD2 3.95Å; L195-L200 HydrophobicContact CB-CD1 4.17Å; L195-L200 WeakPolarHBondContact O-CD1 3.39Å; T197-L200 PolarHBondContact O-N 3.19Å; L200-S202 PolarHBondContact O-N 2.94Å; L200-N205 HydrophobicContact CB-CB 4Å; L200-N205 VanDerWaalsContact O-CB 3.23Å; L200-N205 WeakPolarHBondContact O-CB 3.32Å; L200-N205 PolarHBondContact O-ND2 3.21Å; L200-V206 HydrophobicContact CB-CG2 4.23Å; L200-V206 HydrophobicContact CD1-CG2 4.23Å; L200-A209 HydrophobicContact CD1-CB 3.72Å
201S88.9Confident96.5Very high109 Ų10921.4 Ų21.476%0.76213%0.127SC*.  trans66.6-27.7173.2-55.80000117.3E199E199-S201 PolarHBondContact O-N 3.36Å
202S92.7Very high96.5Very high49 Ų4921.4 Ų21.434%0.34313%0.127SC..SBendtrans-145.3155.6-17971.30000112.1L200 D204 N205 V206L200-S202 PolarHBondContact O-N 2.94Å; S202-D204 PolarHBondContact O-N 3.32Å; S202-D204 PolarHBondContact OG-N 3.25Å; S202-N205 PolarHBondContact O-N 3.43Å; S202-N205 PolarHBondContact OG-N 3.23Å; S202-N205 VanDerWaalsContact OG-N 3.07Å; S202-V206 WeakPolarHBondContact O-CG2 3.46Å; S202-V206 PolarHBondContact O-N 3.42Å; S202-V206 VanDerWaalsContact O-N 3.15Å
203Y94.4Very high96.5Very high44 Ų4421.4 Ų21.417%0.17313%0.127CC..Hα-helixtrans-62.6-26.7170-65.2-39.1000112.3I19 A21 V24 V206 Y207 P235 V236 V239I19-Y203 HydrophobicContact CG2-CD2 4.15Å; I19-Y203 HydrophobicContact CG2-CG 4.49Å; A21-Y203 HydrophobicContact CB-CD2 4.15Å; A21-Y203 HydrophobicContact CB-CE2 3.73Å; V24-Y203 HydrophobicContact CB-CE2 4.19Å; V24-Y203 HydrophobicContact CG1-CE2 4.29Å; V24-Y203 HydrophobicContact CG2-CD2 4.37Å; Y203-V206 WeakPolarHBondContact O-CB 3.44Å; Y203-V206 PolarHBondContact O-N 3.47Å; Y203-Y207 PolarHBondContact O-N 3.48Å; Y203-P235 HydrophobicContact CE1-CB 4.25Å; Y203-P235 VanDerWaalsContact OH-CB 3.25Å; Y203-P235 WeakPolarHBondContact OH-CB 3.36Å; Y203-V236 HydrophobicContact CD1-CG2 4.35Å; Y203-V236 HydrophobicContact CE1-CG2 3.9Å; Y203-V239 HydrophobicContact CD1-CG2 3.99Å; Y203-V239 HydrophobicContact CG-CG2 3.99Å
204D93.8Very high96.5Very high48 Ų4821.5 Ų21.526%0.25713%0.127SC..Hα-helixtrans-64.1-48.6176.9179.762.9000110.6I19 S202 V206 Y207 K208I19-D204 HydrophobicContact CD1-CB 3.59Å; S202-D204 PolarHBondContact O-N 3.32Å; S202-D204 PolarHBondContact OG-N 3.25Å; D204-V206 VanDerWaalsContact C-N 3.29Å; D204-V206 PolarHBondContact O-N 3.19Å; D204-Y207 PolarHBondContact O-N 3.27Å; D204-K208 VanDerWaalsContact CG-NZ 3.33Å; D204-K208 WeakPolarHBondContact O-CB 3.46Å; D204-K208 VanDerWaalsContact O-CG 3.27Å; D204-K208 WeakPolarHBondContact O-CG 3.36Å; D204-K208 PolarHBondContact O-N 3.25Å; D204-K208 WeakPolarHBondContact OD1-CE 3.25Å; D204-K208 IonicContact OD1-NZ 2.67Å; D204-K208 PolarHBondContact OD1-NZ 2.85Å; D204-K208 VanDerWaalsContact OD2-CE 3.25Å; D204-K208 WeakPolarHBondContact OD2-CE 3.32Å; D204-K208 IonicContact OD2-NZ 2.96Å; D204-K208 PolarHBondContact OD2-NZ 3.12Å
205N95.5Very high96.4Very high28 Ų2821.5 Ų21.515%0.1513%0.127CC..Hα-helixtrans-64.6-34.9175.2-71.7-8.1000112.1W171 L200 S202 A209W171-N205 HydrophobicContact CH2-CB 3.96Å; W171-N205 WeakPolarHBondContact CH2-O 3.27Å; W171-N205 HydrophobicContact CZ2-CB 4.21Å; W171-N205 WeakPolarHBondContact CZ2-OD1 3.17Å; L200-N205 HydrophobicContact CB-CB 4Å; L200-N205 VanDerWaalsContact O-CB 3.23Å; L200-N205 WeakPolarHBondContact O-CB 3.32Å; L200-N205 PolarHBondContact O-ND2 3.21Å; S202-N205 PolarHBondContact O-N 3.43Å; S202-N205 PolarHBondContact OG-N 3.23Å; S202-N205 VanDerWaalsContact OG-N 3.07Å; N205-A209 WeakPolarHBondContact O-CB 3.43Å; N205-A209 PolarHBondContact O-N 3.26Å
206V96.9Very high96.4Very high2 Ų221.5 Ų21.51%0.01213%0.127CC..Hα-helixtrans-62-46.7174.11710000111T197 L200 S202 Y203 D204 S210 V236 V239 M240T197-V206 HydrophobicContact CG2-CG1 4.01Å; T197-V206 HydrophobicContact CG2-CG2 4Å; L200-V206 HydrophobicContact CB-CG2 4.23Å; L200-V206 HydrophobicContact CD1-CG2 4.23Å; S202-V206 WeakPolarHBondContact O-CG2 3.46Å; S202-V206 PolarHBondContact O-N 3.42Å; S202-V206 VanDerWaalsContact O-N 3.15Å; Y203-V206 WeakPolarHBondContact O-CB 3.44Å; Y203-V206 PolarHBondContact O-N 3.47Å; D204-V206 VanDerWaalsContact C-N 3.29Å; D204-V206 PolarHBondContact O-N 3.19Å; V206-S210 WeakPolarHBondContact O-CB 3.34Å; V206-S210 PolarHBondContact O-N 3.32Å; V206-S210 PolarHBondContact O-OG 2.95Å; V206-V236 HydrophobicContact CG1-CG1 4.03Å; V206-V236 HydrophobicContact CG2-CG1 4.46Å; V206-V239 HydrophobicContact CB-CG1 4.26Å; V206-V239 HydrophobicContact CG1-CB 4.26Å; V206-V239 HydrophobicContact CG1-CG1 3.9Å; V206-M240 HydrophobicContact CG1-CG 3.64Å; V206-M240 HydrophobicContact CG1-SD 4.37Å
207Y97Very high96.5Very high7 Ų721.6 Ų21.63%0.02713%0.128CC..Hα-helixtrans-62.9-48.6177.7-177.8-86000111.2M13 Y16 Y203 D204 A209 S210 M211 V239 A243 D246M13-Y207 WeakPolarHBondContact O-CE1 3.28Å; Y16-Y207 VanDerWaalsContact CB-CD1 3.49Å; Y16-Y207 AromaticContact CD1-CD2 3.8Å; Y16-Y207 HydrophobicContact CD1-CD2 3.8Å; Y16-Y207 HydrophobicContact CD1-CE2 4.38Å; Y16-Y207 AromaticContact CD1-CG 3.99Å; Y16-Y207 HydrophobicContact CD1-CG 3.99Å; Y16-Y207 HydrophobicContact CD2-CD1 4.34Å; Y16-Y207 AromaticContact CD2-CD2 3.39Å; Y16-Y207 HydrophobicContact CD2-CD2 3.39Å; Y16-Y207 HydrophobicContact CD2-CE1 4.09Å; Y16-Y207 AromaticContact CD2-CE2 3.09Å; Y16-Y207 HydrophobicContact CD2-CE2 3.09Å; Y16-Y207 HydrophobicContact CD2-CG 4.01Å; Y16-Y207 AromaticContact CD2-CZ 3.48Å; Y16-Y207 VanDerWaalsContact CD2-CZ 3.48Å; Y16-Y207 HydrophobicContact CE1-CD2 4.17Å; Y16-Y207 AromaticContact CE2-CD2 3.72Å; Y16-Y207 HydrophobicContact CE2-CD2 3.72Å; Y16-Y207 AromaticContact CE2-CE2 3.45Å; Y16-Y207 HydrophobicContact CE2-CE2 3.45Å; Y16-Y207 VanDerWaalsContact CE2-CE2 3.45Å; Y16-Y207 AromaticContact CG-CD1 3.98Å; Y16-Y207 HydrophobicContact CG-CD1 3.98Å; Y16-Y207 AromaticContact CG-CD2 3.44Å; Y16-Y207 HydrophobicContact CG-CD2 3.44Å; Y16-Y207 VanDerWaalsContact CG-CD2 3.44Å; Y16-Y207 HydrophobicContact CG-CE1 4.14Å; Y16-Y207 AromaticContact CG-CE2 3.64Å; Y16-Y207 HydrophobicContact CG-CE2 3.64Å; Y16-Y207 AromaticContact CG-CG 3.62Å; Y16-Y207 HydrophobicContact CG-CG 3.62Å; Y16-Y207 AromaticContact CG-CZ 3.98Å; Y203-Y207 PolarHBondContact O-N 3.48Å; D204-Y207 PolarHBondContact O-N 3.27Å; Y207-A209 PolarHBondContact O-N 3.26Å; Y207-S210 VanDerWaalsContact O-CB 3.31Å; Y207-S210 WeakPolarHBondContact O-CB 3.27Å; Y207-S210 PolarHBondContact O-N 2.84Å; Y207-S210 VanDerWaalsContact O-N 3.13Å; Y207-M211 HydrophobicContact CD1-CG 4.1Å; Y207-M211 HydrophobicContact CE1-CG 3.57Å; Y207-M211 HydrophobicContact CE2-CE 4.31Å; Y207-M211 PolarHBondContact O-N 3Å; Y207-V239 HydrophobicContact CD2-CG1 4.48Å; Y207-A243 HydrophobicContact CD2-CB 3.69Å; Y207-A243 HydrophobicContact CE2-CB 3.68Å; Y207-A243 HydrophobicContact CG-CB 4.48Å; Y207-D246 WeakPolarHBondContact CE2-OD2 3.42Å; Y207-D246 PolarHBondContact OH-OD2 2.99Å; Y207-D246 VanDerWaalsContact OH-OD2 3.07Å
208K97.2Very high96.5Very high43 Ų4321.2 Ų21.219%0.18713%0.126CC..Hα-helixtrans-60.6-45.8179.2-68.9176.4178.1166.60112.3L14 W171 D204 S210 M211 V212L14-K208 HydrophobicContact CB-CG 4.1Å; L14-K208 WeakPolarHBondContact O-CE 3.5Å; L14-K208 WeakPolarHBondContact O-CG 3.35Å; W171-K208 HydrophobicContact CD2-CB 3.89Å; W171-K208 HydrophobicContact CD2-CD 4.47Å; W171-K208 HydrophobicContact CE3-CB 4Å; W171-K208 HydrophobicContact CH2-CB 3.68Å; W171-K208 HydrophobicContact CZ2-CB 3.55Å; W171-K208 HydrophobicContact CZ2-CD 3.7Å; W171-K208 HydrophobicContact CZ2-CG 4.26Å; W171-K208 HydrophobicContact CZ3-CB 3.91Å; D204-K208 VanDerWaalsContact CG-NZ 3.33Å; D204-K208 WeakPolarHBondContact O-CB 3.46Å; D204-K208 VanDerWaalsContact O-CG 3.27Å; D204-K208 WeakPolarHBondContact O-CG 3.36Å; D204-K208 PolarHBondContact O-N 3.25Å; D204-K208 WeakPolarHBondContact OD1-CE 3.25Å; D204-K208 IonicContact OD1-NZ 2.67Å; D204-K208 PolarHBondContact OD1-NZ 2.85Å; D204-K208 VanDerWaalsContact OD2-CE 3.25Å; D204-K208 WeakPolarHBondContact OD2-CE 3.32Å; D204-K208 IonicContact OD2-NZ 2.96Å; D204-K208 PolarHBondContact OD2-NZ 3.12Å; K208-S210 VanDerWaalsContact C-N 3.28Å; K208-S210 PolarHBondContact O-N 3.16Å; K208-M211 PolarHBondContact O-N 3.2Å; K208-V212 WeakPolarHBondContact O-CB 3.36Å; K208-V212 VanDerWaalsContact O-CG2 3.28Å; K208-V212 WeakPolarHBondContact O-CG2 3.4Å; K208-V212 PolarHBondContact O-N 2.95Å
209A98.3Very high96.6Very high0 Ų020.3 Ų20.30%011%0.114CC..Hα-helixtrans-60.3-40.3175.600000111.6I161 W171 L195 L200 N205 Y207 C213I161-A209 HydrophobicContact CD1-CB 4.14Å; W171-A209 HydrophobicContact CH2-CB 4.41Å; W171-A209 HydrophobicContact CZ3-CB 3.88Å; L195-A209 HydrophobicContact CB-CB 4.49Å; L195-A209 HydrophobicContact CD1-CB 4.09Å; L195-A209 HydrophobicContact CD2-CB 4.21Å; L200-A209 HydrophobicContact CD1-CB 3.72Å; N205-A209 WeakPolarHBondContact O-CB 3.43Å; N205-A209 PolarHBondContact O-N 3.26Å; Y207-A209 PolarHBondContact O-N 3.26Å; A209-C213 WeakPolarHBondContact O-CB 2.85Å; A209-C213 PolarHBondContact O-N 2.88Å; A209-C213 PolarHBondContact O-SG 3.34Å
210S98.4Very high96.8Very high0 Ų016.5 Ų16.50%010%0.096CC..Hα-helixtrans-61-53.3175.9-58.10000110.9L195 V206 Y207 K208 V212 C213 M214L195-S210 VanDerWaalsContact CD1-OG 3.28Å; L195-S210 WeakPolarHBondContact CD1-OG 3.48Å; V206-S210 WeakPolarHBondContact O-CB 3.34Å; V206-S210 PolarHBondContact O-N 3.32Å; V206-S210 PolarHBondContact O-OG 2.95Å; Y207-S210 VanDerWaalsContact O-CB 3.31Å; Y207-S210 WeakPolarHBondContact O-CB 3.27Å; Y207-S210 PolarHBondContact O-N 2.84Å; Y207-S210 VanDerWaalsContact O-N 3.13Å; K208-S210 VanDerWaalsContact C-N 3.28Å; K208-S210 PolarHBondContact O-N 3.16Å; S210-V212 PolarHBondContact O-N 2.9Å; S210-C213 PolarHBondContact O-N 3.24Å; S210-M214 VanDerWaalsContact O-CG 3.3Å; S210-M214 WeakPolarHBondContact O-CG 3.32Å; S210-M214 PolarHBondContact O-N 2.97Å
211M97.9Very high96.9Very high0 Ų016.5 Ų16.50%010%0.096CC..Hα-helixtrans-57.7-50.7178.8-83.5-64.9144.300112.9M13 L14 Y207 K208 C213 M214 L215 A243 D246 F247M13-M211 HydrophobicContact CB-SD 4.39Å; M13-M211 HydrophobicContact CE-SD 4.1Å; M13-M211 WeakPolarHBondContact O-CG 3.43Å; L14-M211 HydrophobicContact CD2-CB 3.57Å; Y207-M211 HydrophobicContact CD1-CG 4.1Å; Y207-M211 HydrophobicContact CE1-CG 3.57Å; Y207-M211 HydrophobicContact CE2-CE 4.31Å; Y207-M211 PolarHBondContact O-N 3Å; K208-M211 PolarHBondContact O-N 3.2Å; M211-C213 VanDerWaalsContact C-N 3.3Å; M211-C213 PolarHBondContact O-N 3.41Å; M211-M214 HydrophobicContact CE-CE 3.54Å; M211-M214 PolarHBondContact O-N 3.32Å; M211-M214 VanDerWaalsContact O-N 3.16Å; M211-M214 HydrophobicContact SD-CE 4Å; M211-L215 WeakPolarHBondContact O-CG 3.31Å; M211-L215 PolarHBondContact O-N 2.84Å; M211-A243 VanDerWaalsContact CE-C 3.47Å; M211-A243 HydrophobicContact CE-CB 3.78Å; M211-A243 WeakPolarHBondContact CE-O 3.49Å; M211-D246 HydrophobicContact CE-CB 4.08Å; M211-F247 HydrophobicContact CE-CB 3.89Å; M211-F247 HydrophobicContact SD-CB 4.44Å; M211-F247 HydrophobicContact SD-CD2 3.99Å
212V98.4Very high97.4Very high0 Ų011.5 Ų11.50%06%0.06CC..Hα-helixtrans-57-44.8179.8164.40000111.5Y9 L14 W171 V174 Y175 K208 S210 L215 A216Y9-V212 HydrophobicContact CE2-CG2 4.38Å; L14-V212 HydrophobicContact CD1-CG2 4.01Å; L14-V212 HydrophobicContact CD2-CG2 3.69Å; W171-V212 HydrophobicContact CB-CG2 3.93Å; W171-V212 HydrophobicContact CE3-CG2 4.14Å; V174-V212 HydrophobicContact CB-CG1 3.94Å; V174-V212 HydrophobicContact CG1-CG1 3.72Å; Y175-V212 VanDerWaalsContact CA-CG1 3.47Å; Y175-V212 VanDerWaalsContact N-CG1 3.31Å; K208-V212 WeakPolarHBondContact O-CB 3.36Å; K208-V212 VanDerWaalsContact O-CG2 3.28Å; K208-V212 WeakPolarHBondContact O-CG2 3.4Å; K208-V212 PolarHBondContact O-N 2.95Å; S210-V212 PolarHBondContact O-N 2.9Å; V212-L215 PolarHBondContact O-N 3.46Å; V212-A216 VanDerWaalsContact O-CB 3.27Å; V212-A216 WeakPolarHBondContact O-CB 3.46Å; V212-A216 PolarHBondContact O-N 2.92Å
213C98.7Very high97.7Very high0 Ų09.2 Ų9.20%04%0.044CC..Hα-helixtrans-67-38179.8-69.20000112.2T193 L195 A209 S210 M211 A216 G217 A218 I221T193-C213 HydrophobicContact CG2-CB 3.97Å; T193-C213 VanDerWaalsContact OG1-CB 3.28Å; T193-C213 WeakPolarHBondContact OG1-CB 3.3Å; L195-C213 HydrophobicContact CD2-CB 4.29Å; L195-C213 VanDerWaalsContact CD2-SG 3.51Å; A209-C213 WeakPolarHBondContact O-CB 2.85Å; A209-C213 PolarHBondContact O-N 2.88Å; A209-C213 PolarHBondContact O-SG 3.34Å; S210-C213 PolarHBondContact O-N 3.24Å; M211-C213 VanDerWaalsContact C-N 3.3Å; M211-C213 PolarHBondContact O-N 3.41Å; C213-A216 CarbonylContact O-C 3.6Å; C213-A216 PolarHBondContact O-N 3.3Å; C213-G217 PolarHBondContact O-N 3.06Å; C213-A218 HydrophobicContact CB-CB 4.2Å; C213-A218 WeakPolarHBondContact O-CB 3.44Å; C213-A218 PolarHBondContact O-N 2.95Å; C213-I221 HydrophobicContact CB-CG2 4.15Å
214M98.4Very high97.8Very high1 Ų17.1 Ų7.11%0.0054%0.036CC..Hα-helixtrans-67.2-44176-67.5-172.2-67.500111.9S210 M211 A216 G217 I221 A243 I244 F247 I255S210-M214 VanDerWaalsContact O-CG 3.3Å; S210-M214 WeakPolarHBondContact O-CG 3.32Å; S210-M214 PolarHBondContact O-N 2.97Å; M211-M214 HydrophobicContact CE-CE 3.54Å; M211-M214 PolarHBondContact O-N 3.32Å; M211-M214 VanDerWaalsContact O-N 3.16Å; M211-M214 HydrophobicContact SD-CE 4Å; M214-A216 VanDerWaalsContact C-N 3.25Å; M214-A216 PolarHBondContact O-N 3Å; M214-G217 PolarHBondContact O-N 2.72Å; M214-I221 HydrophobicContact CG-CG2 3.82Å; M214-I221 HydrophobicContact SD-CD1 4.37Å; M214-A243 HydrophobicContact CE-CB 4.01Å; M214-I244 HydrophobicContact SD-CG1 3.87Å; M214-F247 HydrophobicContact CB-CD1 4.35Å; M214-F247 HydrophobicContact CB-CD2 3.71Å; M214-F247 HydrophobicContact CB-CE1 4.23Å; M214-F247 HydrophobicContact CB-CE2 3.59Å; M214-F247 HydrophobicContact CB-CG 4.09Å; M214-F247 HydrophobicContact CB-CZ 3.86Å; M214-F247 HydrophobicContact CE-CB 3.78Å; M214-F247 HydrophobicContact CE-CD2 4.16Å; M214-F247 HydrophobicContact CE-CG 4.09Å; M214-F247 HydrophobicContact SD-CB 4.03Å; M214-F247 HydrophobicContact SD-CD1 4.41Å; M214-F247 HydrophobicContact SD-CD2 4.45Å; M214-F247 HydrophobicContact SD-CG 4.05Å; M214-I255 HydrophobicContact CB-CG1 4.39Å; M214-I255 HydrophobicContact CG-CB 4.32Å; M214-I255 HydrophobicContact CG-CG1 3.98Å; M214-I255 HydrophobicContact CG-CG2 3.81Å; M214-I255 HydrophobicContact SD-CB 3.75Å; M214-I255 HydrophobicContact SD-CG1 3.66Å; M214-I255 HydrophobicContact SD-CG2 3.68Å
215L98.3Very high98Very high0 Ų05.1 Ų5.10%03%0.025CC..Hα-helixtrans-57.7-40.6171.8-70.7169.8000111.2Q7 Y175 M211 V212 G217 F247 Y251Q7-L215 HydrophobicContact CB-CD2 3.74Å; Q7-L215 HydrophobicContact CG-CD2 4.33Å; Q7-L215 PolarHBondContact N-O 3.43Å; Y175-L215 HydrophobicContact CD2-CB 4.14Å; Y175-L215 HydrophobicContact CE2-CB 4.08Å; M211-L215 WeakPolarHBondContact O-CG 3.31Å; M211-L215 PolarHBondContact O-N 2.84Å; V212-L215 PolarHBondContact O-N 3.46Å; L215-G217 PolarHBondContact O-N 3.19Å; L215-G217 VanDerWaalsContact O-N 3.16Å; L215-F247 HydrophobicContact CD2-CE2 3.95Å; L215-F247 HydrophobicContact CG-CE2 4.15Å; L215-Y251 HydrophobicContact CD2-CE1 4.47Å; L215-Y251 HydrophobicContact CD2-CE2 3.97Å; L215-Y251 WeakPolarHBondContact CD2-OH 3.41Å
216A98.3Very high98Very high0 Ų05.5 Ų5.50%04%0.036CC..THydrogen-bonded Turntrans-75.25.6178.100000114.5Y175 V178 R182 V212 C213 M214Y175-A216 HydrophobicContact CD2-CB 3.77Å; Y175-A216 HydrophobicContact CE2-CB 4.12Å; V178-A216 HydrophobicContact CB-CB 3.57Å; V178-A216 HydrophobicContact CG1-CB 3.45Å; V178-A216 VanDerWaalsContact CG1-CB 3.45Å; R182-A216 WeakPolarHBondContact CB-O 3.25Å; V212-A216 VanDerWaalsContact O-CB 3.27Å; V212-A216 WeakPolarHBondContact O-CB 3.46Å; V212-A216 PolarHBondContact O-N 2.92Å; C213-A216 CarbonylContact O-C 3.6Å; C213-A216 PolarHBondContact O-N 3.3Å; M214-A216 VanDerWaalsContact C-N 3.25Å; M214-A216 PolarHBondContact O-N 3Å
217G97.7Very high97.9Very high2 Ų210.6 Ų10.62%0.0216%0.058CC..THydrogen-bonded Turntrans89.920.6172.200000115.4R182 C213 M214 L215 D219R182-G217 WeakPolarHBondContact CD-O 3.36Å; R182-G217 PolarHBondContact NH1-O 3.29Å; C213-G217 PolarHBondContact O-N 3.06Å; M214-G217 PolarHBondContact O-N 2.72Å; L215-G217 PolarHBondContact O-N 3.19Å; L215-G217 VanDerWaalsContact O-N 3.16Å; G217-D219 PolarHBondContact O-N 3.03Å
218A98.3Very high97.7Very high0 Ų010.9 Ų10.90%06%0.06CC..  trans-60.2135170.700000111.2T193 C213 I255T193-A218 HydrophobicContact CG2-CB 3.65Å; T193-A218 WeakPolarHBondContact OG1-CB 3.38Å; C213-A218 HydrophobicContact CB-CB 4.2Å; C213-A218 WeakPolarHBondContact O-CB 3.44Å; C213-A218 PolarHBondContact O-N 2.95Å; A218-I255 WeakPolarHBondContact O-CD1 3.5Å
219D98.5Very high97.5Very high13 Ų1315.9 Ų15.97%0.079%0.094CC..SBendtrans-78.8-33.6171.4-62.1-64.3000110.9V3 G4 R182 H190 L191 G217 G256V3-D219 VanDerWaalsContact CA-OD1 3.28Å; V3-D219 WeakPolarHBondContact CA-OD1 3.46Å; G4-D219 PolarHBondContact N-OD1 2.76Å; R182-D219 IonicContact CZ-OD2 3.5Å; R182-D219 IonicContact NH1-OD1 2.74Å; R182-D219 IonicContact NH1-OD2 2.81Å; R182-D219 PolarHBondContact NH1-OD2 2.88Å; H190-D219 VanDerWaalsContact CA-OD2 3.25Å; H190-D219 WeakPolarHBondContact CA-OD2 3.18Å; L191-D219 PolarHBondContact N-OD2 3.05Å; L191-D219 WeakPolarHBondContact O-CB 3.47Å; L191-D219 PolarHBondContact O-N 2.93Å; G217-D219 PolarHBondContact O-N 3.03Å; D219-G256 PolarHBondContact O-N 2.92Å
220F98.8Very high97.4Very high1 Ų119.4 Ų19.40%0.00412%0.115CC..EExtended strand (participates in β ladder)trans-133.1144.7175.2-82.2-107.9000111.1M1 L191 K192 T193 G256 K258 D288 R291M1-F220 HydrophobicContact SD-CE2 4.42Å; L191-F220 PolarHBondContact O-N 3.33Å; L191-F220 VanDerWaalsContact O-N 3.14Å; K192-F220 CarbonylContact C-O 3.57Å; K192-F220 WeakPolarHBondContact CA-O 3.22Å; K192-F220 HydrophobicContact CB-CB 3.85Å; K192-F220 HydrophobicContact CD-CB 3.95Å; K192-F220 HydrophobicContact CD-CD2 4.43Å; K192-F220 HydrophobicContact CD-CG 4.09Å; K192-F220 HydrophobicContact CG-CB 3.78Å; K192-F220 HydrophobicContact CG-CD2 4.48Å; K192-F220 HydrophobicContact CG-CG 4.28Å; T193-F220 PolarHBondContact N-O 2.8Å; T193-F220 PolarHBondContact OG1-O 3Å; T193-F220 VanDerWaalsContact OG1-O 3.1Å; F220-G256 VanDerWaalsContact CA-O 3.24Å; F220-G256 WeakPolarHBondContact CA-O 3.45Å; F220-G256 VanDerWaalsContact CD1-CA 3.43Å; F220-G256 VanDerWaalsContact CE1-CA 3.49Å; F220-K258 HydrophobicContact CD1-CB 4.15Å; F220-D288 VanDerWaalsContact CE2-O 3.3Å; F220-D288 WeakPolarHBondContact CE2-O 3.25Å; F220-D288 WeakPolarHBondContact CZ-O 3.13Å; F220-R291 HydrophobicContact CD1-CG 4.36Å; F220-R291 HydrophobicContact CE1-CB 4.23Å; F220-R291 HydrophobicContact CE1-CG 3.62Å; F220-R291 HydrophobicContact CZ-CG 3.85Å
221I98.8Very high97.3Very high0 Ų020.6 Ų20.60%012%0.122CC..EExtended strand (participates in β ladder)trans-100.1128.9159.257.2172.7000109.3C213 M214 M240 I244 G256 K258C213-I221 HydrophobicContact CB-CG2 4.15Å; M214-I221 HydrophobicContact CG-CG2 3.82Å; M214-I221 HydrophobicContact SD-CD1 4.37Å; I221-M240 HydrophobicContact CB-CE 3.73Å; I221-M240 HydrophobicContact CD1-CB 3.95Å; I221-M240 HydrophobicContact CD1-CE 3.69Å; I221-M240 HydrophobicContact CD1-CG 4.45Å; I221-M240 HydrophobicContact CG1-CE 3.64Å; I221-I244 HydrophobicContact CD1-CD1 3.79Å; I221-I244 HydrophobicContact CD1-CG1 3.71Å; I221-I244 HydrophobicContact CG1-CD1 3.87Å; I221-I244 HydrophobicContact CG1-CG1 4.17Å; I221-G256 PolarHBondContact N-O 2.73Å; I221-K258 PolarHBondContact O-N 3.34Å
222K98.8Very high97.2Very high4 Ų421.2 Ų21.22%0.01713%0.127CC..EExtended strand (participates in β ladder)trans-115.8132.2-176.2172.5168160.2-175.90109.6D158 T193 I194 L195 S224 K258 A260D158-K222 WeakPolarHBondContact OD2-CD 3.42Å; D158-K222 IonicContact OD2-NZ 3.36Å; D158-K222 PolarHBondContact OD2-NZ 2.93Å; T193-K222 WeakPolarHBondContact O-CA 3.27Å; T193-K222 PolarHBondContact O-N 3.43Å; I194-K222 CarbonylContact C-O 3.44Å; I194-K222 WeakPolarHBondContact CA-O 3.24Å; I194-K222 HydrophobicContact CB-CG 4.49Å; I194-K222 HydrophobicContact CD1-CD 4.22Å; I194-K222 HydrophobicContact CG1-CB 4.16Å; I194-K222 HydrophobicContact CG1-CD 3.53Å; I194-K222 HydrophobicContact CG1-CG 3.86Å; L195-K222 PolarHBondContact N-O 2.86Å; K222-S224 WeakPolarHBondContact CE-O 3.41Å; K222-K258 VanDerWaalsContact CA-O 3.29Å; K222-K258 WeakPolarHBondContact CA-O 3.37Å; K222-K258 HydrophobicContact CB-CB 4.03Å; K222-K258 HydrophobicContact CB-CG 4.36Å; K222-K258 HydrophobicContact CD-CD 3.74Å; K222-K258 HydrophobicContact CD-CG 4.02Å; K222-K258 HydrophobicContact CG-CB 4.25Å; K222-K258 HydrophobicContact CG-CD 4.3Å; K222-K258 HydrophobicContact CG-CG 4.06Å; K222-A260 HydrophobicContact CD-CB 4.16Å; K222-A260 HydrophobicContact CG-CB 4.07Å
223T98.6Very high97.2Very high0 Ų023.5 Ų23.50%014%0.14CC..  trans-59.1-62.3-177.549.70000112.5A196 T197 A232 V236 M240 F257 K258 P259 A260A196-T223 WeakPolarHBondContact CA-O 3.47Å; A196-T223 PolarHBondContact N-O 3.37Å; T197-T223 PolarHBondContact N-O 3.31Å; T197-T223 PolarHBondContact OG1-O 2.94Å; T223-A232 HydrophobicContact CG2-CB 4.1Å; T223-A232 WeakPolarHBondContact OG1-CB 3.41Å; T223-V236 HydrophobicContact CG2-CG1 4.49Å; T223-M240 HydrophobicContact CG2-CE 4.32Å; T223-M240 HydrophobicContact CG2-SD 3.54Å; T223-M240 VanDerWaalsContact CG2-SD 3.54Å; T223-F257 HydrophobicContact CG2-CE2 3.91Å; T223-F257 HydrophobicContact CG2-CZ 3.92Å; T223-K258 PolarHBondContact N-O 3.33Å; T223-K258 PolarHBondContact OG1-O 2.86Å; T223-P259 HydrophobicContact CG2-CB 4.46Å; T223-P259 WeakPolarHBondContact OG1-CA 3.28Å; T223-A260 PolarHBondContact OG1-N 3.12Å; T223-A260 PolarHBondContact OG1-O 3.29Å
224S97.7Very high97.1Very high0 Ų025.1 Ų25.10%015%0.149CC..  trans-141.9162.6-163.6-37.60000112.8K222 G226 N231 A232 A260K222-S224 WeakPolarHBondContact CE-O 3.41Å; S224-G226 VanDerWaalsContact C-N 3.28Å; S224-N231 WeakPolarHBondContact CB-OD1 3.41Å; S224-N231 WeakPolarHBondContact OG-CA 3.31Å; S224-A232 PolarHBondContact OG-N 2.95Å; S224-A260 WeakPolarHBondContact CB-O 3.42Å; S224-A260 WeakPolarHBondContact O-CB 3.43Å
225T97Very high97Very high6 Ų626.1 Ų26.14%0.03716%0.156CC..  trans-75.6-21.1173.764.60000112.1F132 P133 V160 I194 K227 E228F132-T225 HydrophobicContact CD2-CG2 4.07Å; F132-T225 HydrophobicContact CE2-CG2 3.7Å; F132-T225 HydrophobicContact CZ-CG2 4.41Å; F132-T225 WeakPolarHBondContact CZ-O 3.23Å; P133-T225 HydrophobicContact CB-CG2 4.08Å; V160-T225 HydrophobicContact CG1-CG2 4.28Å; V160-T225 HydrophobicContact CG2-CG2 3.83Å; I194-T225 HydrophobicContact CD1-CG2 4.28Å; I194-T225 HydrophobicContact CG2-CG2 3.66Å; T225-K227 VanDerWaalsContact C-N 3.3Å; T225-K227 WeakPolarHBondContact OG1-CB 3.49Å; T225-K227 PolarHBondContact OG1-N 2.83Å; T225-E228 WeakPolarHBondContact CB-OE1 3Å; T225-E228 VanDerWaalsContact CG2-OE1 3.29Å; T225-E228 WeakPolarHBondContact CG2-OE1 3.24Å; T225-E228 PolarHBondContact N-OE1 3.24Å; T225-E228 PolarHBondContact N-OE2 3.44Å; T225-E228 PolarHBondContact OG1-OE1 2.76Å; T225-E228 PolarHBondContact OG1-OE2 3.17Å
226G95.7Very high96.9Very high36 Ų3626.8 Ų26.837%0.37116%0.16SC..SBendtrans86.94.6-170.100000112.5S224 E228 N231S224-G226 VanDerWaalsContact C-N 3.28Å; G226-E228 PolarHBondContact N-OE2 2.87Å; G226-E228 VanDerWaalsContact N-OE2 3.08Å; G226-N231 WeakPolarHBondContact CA-OD1 3.41Å; G226-N231 PolarHBondContact N-OD1 3.28Å; G226-N231 VanDerWaalsContact N-OD1 3.15Å
227K95.5Very high96.9Very high109 Ų10926.8 Ų26.847%0.47416%0.16SC..  trans-114.1-9.8-177.3-55.7-58.5-175179.70112.6L57 F132 P133 T225L57-K227 WeakPolarHBondContact O-CE 3.48Å; L57-K227 PolarHBondContact O-NZ 3.29Å; F132-K227 HydrophobicContact CE1-CG 4Å; F132-K227 HydrophobicContact CZ-CG 3.97Å; P133-K227 HydrophobicContact CB-CB 3.92Å; P133-K227 HydrophobicContact CB-CG 3.82Å; P133-K227 HydrophobicContact CG-CB 4.18Å; P133-K227 HydrophobicContact CG-CG 4.15Å; T225-K227 VanDerWaalsContact C-N 3.3Å; T225-K227 WeakPolarHBondContact OG1-CB 3.49Å; T225-K227 PolarHBondContact OG1-N 2.83Å
228E93Very high96.8Very high14 Ų1426.7 Ų26.77%0.06516%0.159CC..SBendtrans-77.3161175.3-54.487.5167.400111.3A196 E199 T225 G226 V230 N231A196-E228 WeakPolarHBondContact CB-OE1 3.37Å; E199-E228 HydrophobicContact CG-CG 4.3Å; E199-E228 WeakPolarHBondContact OE1-CG 3.37Å; T225-E228 WeakPolarHBondContact CB-OE1 3Å; T225-E228 VanDerWaalsContact CG2-OE1 3.29Å; T225-E228 WeakPolarHBondContact CG2-OE1 3.24Å; T225-E228 PolarHBondContact N-OE1 3.24Å; T225-E228 PolarHBondContact N-OE2 3.44Å; T225-E228 PolarHBondContact OG1-OE1 2.76Å; T225-E228 PolarHBondContact OG1-OE2 3.17Å; G226-E228 PolarHBondContact N-OE2 2.87Å; G226-E228 VanDerWaalsContact N-OE2 3.08Å; E228-V230 WeakPolarHBondContact CB-O 3.18Å; E228-N231 PolarHBondContact O-ND2 3.03Å; E228-N231 PolarHBondContact OE2-OD1 3.15Å
229T93.2Very high96.8Very high147 Ų14726.7 Ų26.790%0.90216%0.159SC*.SBendtrans-64.9-43.6172.9-54.10000111.6
230V94.5Very high96.8Very high75 Ų7526.1 Ų26.146%0.45516%0.155SC..SBendtrans-110.8121.8175.9-179.70000107.6G198 E228 T233G198-V230 WeakPolarHBondContact CA-O 3.15Å; E228-V230 WeakPolarHBondContact CB-O 3.18Å; V230-T233 HydrophobicContact CG1-CG2 4.15Å
231N96.5Very high96.7Very high25 Ų2526 Ų2613%0.13416%0.155CC..  trans-109.5-139.5-179.1-68.7-86.4000110.3S224 G226 E228 T233 G261S224-N231 WeakPolarHBondContact CB-OD1 3.41Å; S224-N231 WeakPolarHBondContact OG-CA 3.31Å; G226-N231 WeakPolarHBondContact CA-OD1 3.41Å; G226-N231 PolarHBondContact N-OD1 3.28Å; G226-N231 VanDerWaalsContact N-OD1 3.15Å; E228-N231 PolarHBondContact O-ND2 3.03Å; E228-N231 PolarHBondContact OE2-OD1 3.15Å; N231-T233 PolarHBondContact O-N 3.19Å; N231-G261 VanDerWaalsContact CB-O 3.25Å; N231-G261 WeakPolarHBondContact CB-O 3.33Å
232A97.6Very high96.6Very high13 Ų1328.3 Ų28.311%0.10716%0.164CC..  trans-60.5131.9174.900000111.1T223 S224 P259 A260 G261 L263 Y272T223-A232 HydrophobicContact CG2-CB 4.1Å; T223-A232 WeakPolarHBondContact OG1-CB 3.41Å; S224-A232 PolarHBondContact OG-N 2.95Å; A232-P259 HydrophobicContact CB-CB 3.87Å; A232-A260 WeakPolarHBondContact CB-O 3.34Å; A232-A260 PolarHBondContact N-O 3.28Å; A232-G261 PolarHBondContact N-O 3.21Å; A232-L263 HydrophobicContact CB-CD1 3.96Å; A232-Y272 VanDerWaalsContact C-OH 3.24Å; A232-Y272 VanDerWaalsContact CB-OH 3.32Å; A232-Y272 WeakPolarHBondContact CB-OH 3.41Å; A232-Y272 PolarHBondContact O-OH 3.49Å
233T97.1Very high96.5Very high47 Ų4728.1 Ų28.129%0.28816%0.163SC..  trans-132.6151.116966.90000108.9V230 N231 V236 S237 Y272V230-T233 HydrophobicContact CG1-CG2 4.15Å; N231-T233 PolarHBondContact O-N 3.19Å; T233-V236 PolarHBondContact O-N 2.96Å; T233-V236 WeakPolarHBondContact OG1-CB 3.12Å; T233-V236 WeakPolarHBondContact OG1-CG2 3.29Å; T233-V236 PolarHBondContact OG1-N 3.48Å; T233-S237 VanDerWaalsContact O-CB 3.31Å; T233-S237 WeakPolarHBondContact O-CB 3.5Å; T233-S237 PolarHBondContact O-N 2.93Å; T233-S237 PolarHBondContact O-OG 3.28Å; T233-Y272 PolarHBondContact N-OH 2.88Å
234L97.1Very high96.5Very high35 Ų3528.1 Ų28.118%0.18316%0.163CC..Hα-helixtrans-56.7-41.9177.9-63.7172.2000112.8A28 T32 S237 L238 D271 Y272 L275A28-L234 HydrophobicContact CB-CB 4.13Å; T32-L234 HydrophobicContact CG2-CD1 4.18Å; T32-L234 HydrophobicContact CG2-CD2 4.24Å; L234-S237 PolarHBondContact O-N 3.32Å; L234-L238 PolarHBondContact O-N 2.93Å; L234-D271 HydrophobicContact CD1-CB 4.09Å; L234-D271 HydrophobicContact CD2-CB 4.07Å; L234-Y272 HydrophobicContact CD2-CD1 3.95Å; L234-Y272 HydrophobicContact CD2-CD2 4.45Å; L234-Y272 HydrophobicContact CD2-CE1 3.85Å; L234-Y272 HydrophobicContact CD2-CE2 4.33Å; L234-Y272 HydrophobicContact CD2-CG 4.25Å; L234-L275 HydrophobicContact CD2-CD2 4.09Å
235P95.9Very high96.4Very high22 Ų2232.2 Ų32.214%0.14318%0.182CC..Hα-helixtrans-61-47.2176.9-26.337000113.6V24 I25 A28 Y203 S237 L238 V239V24-P235 HydrophobicContact CG1-CB 3.96Å; V24-P235 WeakPolarHBondContact CG1-O 3.38Å; I25-P235 HydrophobicContact CB-CG 4.48Å; I25-P235 HydrophobicContact CG1-CB 4.13Å; I25-P235 HydrophobicContact CG1-CG 3.88Å; A28-P235 HydrophobicContact CB-CG 4.44Å; Y203-P235 HydrophobicContact CE1-CB 4.25Å; Y203-P235 VanDerWaalsContact OH-CB 3.25Å; Y203-P235 WeakPolarHBondContact OH-CB 3.36Å; P235-S237 PolarHBondContact O-N 2.81Å; P235-L238 WeakPolarHBondContact O-CB 3.45Å; P235-L238 PolarHBondContact O-N 3.22Å; P235-V239 PolarHBondContact O-N 3.19Å
236V96.1Very high96.4Very high13 Ų1333.5 Ų33.58%0.07919%0.189CC..Hα-helixtrans-60.3-39.6175.1165.90000110.9T197 Y203 V206 T223 T233 L238 V239 M240T197-V236 VanDerWaalsContact CB-CG1 3.44Å; T197-V236 HydrophobicContact CG2-CG1 3.57Å; T197-V236 WeakPolarHBondContact OG1-CG1 3.17Å; Y203-V236 HydrophobicContact CD1-CG2 4.35Å; Y203-V236 HydrophobicContact CE1-CG2 3.9Å; V206-V236 HydrophobicContact CG1-CG1 4.03Å; V206-V236 HydrophobicContact CG2-CG1 4.46Å; T223-V236 HydrophobicContact CG2-CG1 4.49Å; T233-V236 PolarHBondContact O-N 2.96Å; T233-V236 WeakPolarHBondContact OG1-CB 3.12Å; T233-V236 WeakPolarHBondContact OG1-CG2 3.29Å; T233-V236 PolarHBondContact OG1-N 3.48Å; V236-L238 VanDerWaalsContact C-N 3.34Å; V236-L238 PolarHBondContact O-N 3.44Å; V236-V239 WeakPolarHBondContact O-CB 3.08Å; V236-V239 PolarHBondContact O-N 3.43Å; V236-M240 HydrophobicContact CG1-SD 4.12Å; V236-M240 WeakPolarHBondContact O-CG 3.16Å; V236-M240 PolarHBondContact O-N 3.49Å
237S97.8Very high96.4Very high0 Ų031.9 Ų31.90%017%0.172CC..Hα-helixtrans-70.5-32.4-177-56.70000112.1T233 L234 P235 M240 A241 F257 Y272T233-S237 VanDerWaalsContact O-CB 3.31Å; T233-S237 WeakPolarHBondContact O-CB 3.5Å; T233-S237 PolarHBondContact O-N 2.93Å; T233-S237 PolarHBondContact O-OG 3.28Å; L234-S237 PolarHBondContact O-N 3.32Å; P235-S237 PolarHBondContact O-N 2.81Å; S237-M240 PolarHBondContact O-N 3.19Å; S237-A241 VanDerWaalsContact O-CB 3.27Å; S237-A241 WeakPolarHBondContact O-CB 3.35Å; S237-A241 PolarHBondContact O-N 2.73Å; S237-F257 VanDerWaalsContact CB-CZ 3.42Å; S237-F257 WeakPolarHBondContact OG-CZ 3.27Å; S237-Y272 WeakPolarHBondContact OG-CE1 3.35Å
238L97.2Very high96.4Very high1 Ų130.1 Ų30.11%0.00516%0.164CC..Hα-helixtrans-62.6-43.5170.2176.558.3000111.2V24 I27 A28 L31 L234 P235 V236 A241 R242 L275 V279V24-L238 HydrophobicContact CG1-CB 4.45Å; V24-L238 HydrophobicContact CG1-CD2 4.06Å; I27-L238 HydrophobicContact CB-CD2 3.9Å; I27-L238 HydrophobicContact CG2-CD2 3.66Å; A28-L238 HydrophobicContact CB-CB 4.5Å; A28-L238 HydrophobicContact CB-CD2 4.16Å; L31-L238 HydrophobicContact CD1-CD1 3.83Å; L31-L238 HydrophobicContact CD1-CD2 4.49Å; L234-L238 PolarHBondContact O-N 2.93Å; P235-L238 WeakPolarHBondContact O-CB 3.45Å; P235-L238 PolarHBondContact O-N 3.22Å; V236-L238 VanDerWaalsContact C-N 3.34Å; V236-L238 PolarHBondContact O-N 3.44Å; L238-A241 PolarHBondContact O-N 2.88Å; L238-R242 HydrophobicContact CD1-CG 4.21Å; L238-R242 WeakPolarHBondContact O-CG 3.28Å; L238-R242 PolarHBondContact O-N 3.29Å; L238-L275 HydrophobicContact CB-CD1 4.18Å; L238-L275 HydrophobicContact CD1-CD1 4.17Å; L238-V279 HydrophobicContact CD1-CG2 3.72Å
239V97Very high96.6Very high0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-60.6-46.2176.11760000111V24 Y203 V206 Y207 P235 V236 R242 A243V24-V239 HydrophobicContact CG1-CG2 3.97Å; Y203-V239 HydrophobicContact CD1-CG2 3.99Å; Y203-V239 HydrophobicContact CG-CG2 3.99Å; V206-V239 HydrophobicContact CB-CG1 4.26Å; V206-V239 HydrophobicContact CG1-CB 4.26Å; V206-V239 HydrophobicContact CG1-CG1 3.9Å; Y207-V239 HydrophobicContact CD2-CG1 4.48Å; P235-V239 PolarHBondContact O-N 3.19Å; V236-V239 WeakPolarHBondContact O-CB 3.08Å; V236-V239 PolarHBondContact O-N 3.43Å; V239-R242 PolarHBondContact O-N 3.4Å; V239-A243 PolarHBondContact O-N 3.17Å
240M98Very high96.6Very high0 Ų034.1 Ų34.10%018%0.178CC..Hα-helixtrans-66-38.6177.5-66.4-179.266.300112.6L195 T197 V206 I221 T223 V236 S237 A243 I244 F257L195-M240 HydrophobicContact CD1-CE 3.67Å; L195-M240 HydrophobicContact CD1-SD 4.29Å; L195-M240 HydrophobicContact CG-CE 4.28Å; T197-M240 HydrophobicContact CG2-SD 3.79Å; V206-M240 HydrophobicContact CG1-CG 3.64Å; V206-M240 HydrophobicContact CG1-SD 4.37Å; I221-M240 HydrophobicContact CB-CE 3.73Å; I221-M240 HydrophobicContact CD1-CB 3.95Å; I221-M240 HydrophobicContact CD1-CE 3.69Å; I221-M240 HydrophobicContact CD1-CG 4.45Å; I221-M240 HydrophobicContact CG1-CE 3.64Å; T223-M240 HydrophobicContact CG2-CE 4.32Å; T223-M240 HydrophobicContact CG2-SD 3.54Å; T223-M240 VanDerWaalsContact CG2-SD 3.54Å; V236-M240 HydrophobicContact CG1-SD 4.12Å; V236-M240 WeakPolarHBondContact O-CG 3.16Å; V236-M240 PolarHBondContact O-N 3.49Å; S237-M240 PolarHBondContact O-N 3.19Å; M240-A243 WeakPolarHBondContact O-CB 3.47Å; M240-A243 PolarHBondContact O-N 2.74Å; M240-I244 WeakPolarHBondContact O-CG1 2.94Å; M240-I244 PolarHBondContact O-N 3.36Å; M240-F257 HydrophobicContact CB-CD2 4.14Å; M240-F257 HydrophobicContact CB-CE2 3.8Å; M240-F257 HydrophobicContact CE-CD2 4.15Å; M240-F257 HydrophobicContact CE-CE2 3.85Å; M240-F257 HydrophobicContact CG-CE2 4.44Å; M240-F257 HydrophobicContact SD-CE2 3.87Å
241A98.1Very high96.7Very high0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-64.9-41176.400000111.5S237 L238 I244 Q245 I276 V279 L280S237-A241 VanDerWaalsContact O-CB 3.27Å; S237-A241 WeakPolarHBondContact O-CB 3.35Å; S237-A241 PolarHBondContact O-N 2.73Å; L238-A241 PolarHBondContact O-N 2.88Å; A241-I244 WeakPolarHBondContact O-CB 3.45Å; A241-I244 PolarHBondContact O-N 2.99Å; A241-Q245 PolarHBondContact O-N 2.97Å; A241-I276 HydrophobicContact CB-CD1 4Å; A241-V279 HydrophobicContact CB-CB 4.3Å; A241-V279 HydrophobicContact CB-CG1 3.82Å; A241-L280 HydrophobicContact CB-CD1 4.3Å; A241-L280 HydrophobicContact CB-CG 4.41Å; A241-L280 WeakPolarHBondContact O-CD2 3.46Å
242R96.3Very high96.6Very high47 Ų4734.3 Ų34.318%0.17718%0.182CC..Hα-helixtrans-66.2-39.9174.4-71.2179.8178.3177.2-6.9112.3Y16 L238 V239 I244 Q245 D246 V279Y16-R242 HydrophobicContact CE2-CB 4.4Å; Y16-R242 WeakPolarHBondContact OH-CD 3.44Å; Y16-R242 PolarHBondContact OH-NH1 3.45Å; L238-R242 HydrophobicContact CD1-CG 4.21Å; L238-R242 WeakPolarHBondContact O-CG 3.28Å; L238-R242 PolarHBondContact O-N 3.29Å; V239-R242 PolarHBondContact O-N 3.4Å; R242-I244 VanDerWaalsContact C-N 3.28Å; R242-I244 PolarHBondContact O-N 3.3Å; R242-Q245 WeakPolarHBondContact O-CA 3.4Å; R242-Q245 WeakPolarHBondContact O-CB 3.4Å; R242-Q245 PolarHBondContact O-N 2.86Å; R242-D246 PolarHBondContact O-N 2.98Å; R242-V279 HydrophobicContact CG-CG1 4.32Å
243A97Very high96.5Very high0 Ų036 Ų360%019%0.19CC..Hα-helixtrans-54.9-45.7169.300000111.4Y207 M211 M214 V239 M240 Q245 D246 F247Y207-A243 HydrophobicContact CD2-CB 3.69Å; Y207-A243 HydrophobicContact CE2-CB 3.68Å; Y207-A243 HydrophobicContact CG-CB 4.48Å; M211-A243 VanDerWaalsContact CE-C 3.47Å; M211-A243 HydrophobicContact CE-CB 3.78Å; M211-A243 WeakPolarHBondContact CE-O 3.49Å; M214-A243 HydrophobicContact CE-CB 4.01Å; V239-A243 PolarHBondContact O-N 3.17Å; M240-A243 WeakPolarHBondContact O-CB 3.47Å; M240-A243 PolarHBondContact O-N 2.74Å; A243-Q245 VanDerWaalsContact C-N 3.31Å; A243-Q245 PolarHBondContact O-N 2.74Å; A243-D246 PolarHBondContact O-N 3.27Å; A243-F247 WeakPolarHBondContact O-CB 3.17Å; A243-F247 PolarHBondContact O-N 2.86Å
244I97.9Very high96.5Very high0 Ų036.3 Ų36.30%019%0.187CC..Hα-helixtrans-61.7-40176.3-68.3164.7000111.7M214 I221 M240 A241 R242 F247 K248 I255 F257 L280 W284M214-I244 HydrophobicContact SD-CG1 3.87Å; I221-I244 HydrophobicContact CD1-CD1 3.79Å; I221-I244 HydrophobicContact CD1-CG1 3.71Å; I221-I244 HydrophobicContact CG1-CD1 3.87Å; I221-I244 HydrophobicContact CG1-CG1 4.17Å; M240-I244 WeakPolarHBondContact O-CG1 2.94Å; M240-I244 PolarHBondContact O-N 3.36Å; A241-I244 WeakPolarHBondContact O-CB 3.45Å; A241-I244 PolarHBondContact O-N 2.99Å; R242-I244 VanDerWaalsContact C-N 3.28Å; R242-I244 PolarHBondContact O-N 3.3Å; I244-F247 PolarHBondContact O-N 3.22Å; I244-K248 WeakPolarHBondContact O-CB 3.4Å; I244-K248 PolarHBondContact O-N 3.01Å; I244-I255 HydrophobicContact CG1-CB 4.32Å; I244-I255 HydrophobicContact CG1-CG2 4.44Å; I244-I255 HydrophobicContact CG2-CB 4.33Å; I244-I255 WeakPolarHBondContact CG2-O 3.38Å; I244-F257 HydrophobicContact CD1-CB 3.72Å; I244-F257 HydrophobicContact CD1-CD2 4.38Å; I244-F257 HydrophobicContact CD1-CG 4.43Å; I244-L280 HydrophobicContact CB-CD1 4.21Å; I244-L280 HydrophobicContact CB-CD2 4.29Å; I244-L280 HydrophobicContact CD1-CD1 4.38Å; I244-L280 HydrophobicContact CG2-CD1 3.88Å; I244-L280 HydrophobicContact CG2-CD2 4.01Å; I244-W284 HydrophobicContact CG2-CZ2 4.15Å
245Q96.8Very high96.6Very high86 Ų8635 Ų3540%0.40218%0.18SC..Hα-helixtrans-60.5-51.5176.7-177.8172.152.400111.3A241 R242 A243 F247 K248 E249 V279 L280A241-Q245 PolarHBondContact O-N 2.97Å; R242-Q245 WeakPolarHBondContact O-CA 3.4Å; R242-Q245 WeakPolarHBondContact O-CB 3.4Å; R242-Q245 PolarHBondContact O-N 2.86Å; A243-Q245 VanDerWaalsContact C-N 3.31Å; A243-Q245 PolarHBondContact O-N 2.74Å; Q245-F247 VanDerWaalsContact C-N 3.32Å; Q245-F247 PolarHBondContact O-N 2.9Å; Q245-K248 WeakPolarHBondContact O-CB 3.4Å; Q245-K248 PolarHBondContact O-N 3.26Å; Q245-K248 VanDerWaalsContact O-N 3.14Å; Q245-E249 PolarHBondContact O-N 3.21Å; Q245-V279 PolarHBondContact NE2-O 3.25Å; Q245-L280 HydrophobicContact CB-CD2 3.84Å
246D95.5Very high96.7Very high34 Ų3434 Ų3418%0.18217%0.173CC..Hα-helixtrans-61.5-42.2-179.9-59.6-23.3000110.6Y207 M211 R242 A243 K248 E249 V250Y207-D246 WeakPolarHBondContact CE2-OD2 3.42Å; Y207-D246 PolarHBondContact OH-OD2 2.99Å; Y207-D246 VanDerWaalsContact OH-OD2 3.07Å; M211-D246 HydrophobicContact CE-CB 4.08Å; R242-D246 PolarHBondContact O-N 2.98Å; A243-D246 PolarHBondContact O-N 3.27Å; D246-K248 VanDerWaalsContact C-N 3.34Å; D246-K248 PolarHBondContact O-N 3.38Å; D246-E249 PolarHBondContact O-N 3.01Å; D246-V250 WeakPolarHBondContact O-CG2 3.3Å; D246-V250 PolarHBondContact O-N 2.8Å; D246-V250 VanDerWaalsContact O-N 3.09Å
247F96.3Very high96.8Very high2 Ų233.3 Ų33.31%0.00917%0.169CC..Hα-helixtrans-62.5-41.4176.1-165.9-93.2000112Q7 M211 M214 L215 A243 I244 Q245 Y251 I253 I255Q7-F247 HydrophobicContact CG-CZ 4.1Å; M211-F247 HydrophobicContact CE-CB 3.89Å; M211-F247 HydrophobicContact SD-CB 4.44Å; M211-F247 HydrophobicContact SD-CD2 3.99Å; M214-F247 HydrophobicContact CB-CD1 4.35Å; M214-F247 HydrophobicContact CB-CD2 3.71Å; M214-F247 HydrophobicContact CB-CE1 4.23Å; M214-F247 HydrophobicContact CB-CE2 3.59Å; M214-F247 HydrophobicContact CB-CG 4.09Å; M214-F247 HydrophobicContact CB-CZ 3.86Å; M214-F247 HydrophobicContact CE-CB 3.78Å; M214-F247 HydrophobicContact CE-CD2 4.16Å; M214-F247 HydrophobicContact CE-CG 4.09Å; M214-F247 HydrophobicContact SD-CB 4.03Å; M214-F247 HydrophobicContact SD-CD1 4.41Å; M214-F247 HydrophobicContact SD-CD2 4.45Å; M214-F247 HydrophobicContact SD-CG 4.05Å; L215-F247 HydrophobicContact CD2-CE2 3.95Å; L215-F247 HydrophobicContact CG-CE2 4.15Å; A243-F247 WeakPolarHBondContact O-CB 3.17Å; A243-F247 PolarHBondContact O-N 2.86Å; I244-F247 PolarHBondContact O-N 3.22Å; Q245-F247 VanDerWaalsContact C-N 3.32Å; Q245-F247 PolarHBondContact O-N 2.9Å; F247-Y251 HydrophobicContact CD1-CD2 4.17Å; F247-Y251 AromaticContact CD2-CD2 3.58Å; F247-Y251 HydrophobicContact CD2-CD2 3.58Å; F247-Y251 AromaticContact CD2-CE2 3.8Å; F247-Y251 HydrophobicContact CD2-CE2 3.8Å; F247-Y251 HydrophobicContact CE1-CD2 4.11Å; F247-Y251 HydrophobicContact CE1-CG 4.35Å; F247-Y251 AromaticContact CE2-CD2 3.5Å; F247-Y251 HydrophobicContact CE2-CD2 3.5Å; F247-Y251 VanDerWaalsContact CE2-CD2 3.5Å; F247-Y251 AromaticContact CE2-CE2 3.65Å; F247-Y251 HydrophobicContact CE2-CE2 3.65Å; F247-Y251 HydrophobicContact CE2-CG 4.29Å; F247-Y251 AromaticContact CG-CD2 3.92Å; F247-Y251 HydrophobicContact CG-CD2 3.92Å; F247-Y251 AromaticContact CZ-CD2 3.78Å; F247-Y251 HydrophobicContact CZ-CD2 3.78Å; F247-Y251 HydrophobicContact CZ-CE2 4.3Å; F247-Y251 HydrophobicContact CZ-CG 4.14Å; F247-Y251 WeakPolarHBondContact O-CB 3.22Å; F247-Y251 WeakPolarHBondContact O-CD2 3.42Å; F247-Y251 PolarHBondContact O-N 2.94Å; F247-I253 HydrophobicContact CD1-CB 4.35Å; F247-I253 HydrophobicContact CE1-CB 3.91Å; F247-I253 HydrophobicContact CE1-CD1 4.25Å; F247-I253 HydrophobicContact CE1-CG2 4.17Å; F247-I255 HydrophobicContact CD1-CD1 4.35Å; F247-I255 HydrophobicContact CD1-CG1 3.73Å; F247-I255 HydrophobicContact CE1-CD1 4.04Å; F247-I255 HydrophobicContact CE1-CG1 3.94Å
248K96.4Very high96.9Very high72 Ų7233.3 Ų33.331%0.31317%0.169SC..Hα-helixtrans-65.5-39.5177.417362.6179.5137.70111.7I244 Q245 D246 G252 I253 K254 W284I244-K248 WeakPolarHBondContact O-CB 3.4Å; I244-K248 PolarHBondContact O-N 3.01Å; Q245-K248 WeakPolarHBondContact O-CB 3.4Å; Q245-K248 PolarHBondContact O-N 3.26Å; Q245-K248 VanDerWaalsContact O-N 3.14Å; D246-K248 VanDerWaalsContact C-N 3.34Å; D246-K248 PolarHBondContact O-N 3.38Å; K248-G252 PolarHBondContact NZ-O 2.93Å; K248-G252 WeakPolarHBondContact O-CA 3.46Å; K248-G252 PolarHBondContact O-N 3.14Å; K248-I253 WeakPolarHBondContact CA-O 3.43Å; K248-I253 VanDerWaalsContact CD-O 3.32Å; K248-I253 WeakPolarHBondContact CD-O 3.42Å; K248-K254 HydrophobicContact CD-CG 4.06Å; K248-W284 HydrophobicContact CD-CH2 4.32Å; K248-W284 HydrophobicContact CG-CH2 4.01Å; K248-W284 HydrophobicContact CG-CZ2 4.5Å
249E95.3Very high97Very high159 Ų15933.3 Ų33.374%0.74317%0.169SC*.Hα-helixtrans-63.6-45.2178.8-175.4170178.400111.3Q245 D246Q245-E249 PolarHBondContact O-N 3.21Å; D246-E249 PolarHBondContact O-N 3.01Å
250V94.8Very high97Very high86 Ų8633.4 Ų33.452%0.52117%0.17SC..Hα-helixtrans-76.6-48.1-177.7175.80000112.6M13 D246M13-V250 HydrophobicContact CE-CB 4.07Å; M13-V250 HydrophobicContact CE-CG1 4.3Å; M13-V250 HydrophobicContact CE-CG2 3.76Å; M13-V250 HydrophobicContact SD-CB 4.49Å; M13-V250 HydrophobicContact SD-CG1 4.16Å; M13-V250 HydrophobicContact SD-CG2 4.09Å; D246-V250 WeakPolarHBondContact O-CG2 3.3Å; D246-V250 PolarHBondContact O-N 2.8Å; D246-V250 VanDerWaalsContact O-N 3.09Å
251Y95.3Very high96.8Very high60 Ų6034 Ų3424%0.23518%0.176CC..Hα-helixtrans-100.4-12.2-170.8-62.8-79.5000113.9Q7 M13 L215 F247 I253Q7-Y251 HydrophobicContact CB-CE1 4.41Å; Q7-Y251 HydrophobicContact CG-CD1 4.17Å; Q7-Y251 HydrophobicContact CG-CE1 4.25Å; M13-Y251 HydrophobicContact CE-CE2 4.1Å; M13-Y251 HydrophobicContact CG-CE2 4.41Å; L215-Y251 HydrophobicContact CD2-CE1 4.47Å; L215-Y251 HydrophobicContact CD2-CE2 3.97Å; L215-Y251 WeakPolarHBondContact CD2-OH 3.41Å; F247-Y251 HydrophobicContact CD1-CD2 4.17Å; F247-Y251 AromaticContact CD2-CD2 3.58Å; F247-Y251 HydrophobicContact CD2-CD2 3.58Å; F247-Y251 AromaticContact CD2-CE2 3.8Å; F247-Y251 HydrophobicContact CD2-CE2 3.8Å; F247-Y251 HydrophobicContact CE1-CD2 4.11Å; F247-Y251 HydrophobicContact CE1-CG 4.35Å; F247-Y251 AromaticContact CE2-CD2 3.5Å; F247-Y251 HydrophobicContact CE2-CD2 3.5Å; F247-Y251 VanDerWaalsContact CE2-CD2 3.5Å; F247-Y251 AromaticContact CE2-CE2 3.65Å; F247-Y251 HydrophobicContact CE2-CE2 3.65Å; F247-Y251 HydrophobicContact CE2-CG 4.29Å; F247-Y251 AromaticContact CG-CD2 3.92Å; F247-Y251 HydrophobicContact CG-CD2 3.92Å; F247-Y251 AromaticContact CZ-CD2 3.78Å; F247-Y251 HydrophobicContact CZ-CD2 3.78Å; F247-Y251 HydrophobicContact CZ-CE2 4.3Å; F247-Y251 HydrophobicContact CZ-CG 4.14Å; F247-Y251 WeakPolarHBondContact O-CB 3.22Å; F247-Y251 WeakPolarHBondContact O-CD2 3.42Å; F247-Y251 PolarHBondContact O-N 2.94Å; Y251-I253 PolarHBondContact O-N 3.03Å
252G95.6Very high96.5Very high43 Ų4336.4 Ų36.444%0.44320%0.201SC..  trans70.513-17500000113.9K248K248-G252 PolarHBondContact NZ-O 2.93Å; K248-G252 WeakPolarHBondContact O-CA 3.46Å; K248-G252 PolarHBondContact O-N 3.14Å
253I95.6Very high96.5Very high50 Ų5034.4 Ų34.426%0.25619%0.194SC..  trans-103.5132-175.7-60.6169000110F247 K248 Y251 I255F247-I253 HydrophobicContact CD1-CB 4.35Å; F247-I253 HydrophobicContact CE1-CB 3.91Å; F247-I253 HydrophobicContact CE1-CD1 4.25Å; F247-I253 HydrophobicContact CE1-CG2 4.17Å; K248-I253 WeakPolarHBondContact CA-O 3.43Å; K248-I253 VanDerWaalsContact CD-O 3.32Å; K248-I253 WeakPolarHBondContact CD-O 3.42Å; Y251-I253 PolarHBondContact O-N 3.03Å; I253-I255 HydrophobicContact CG2-CD1 3.78Å; I253-I255 HydrophobicContact CG2-CG1 4.43Å
254K97Very high96.4Very high53 Ų5342.6 Ų42.623%0.2323%0.225CC..  trans-85.5131.9170.5-65.6-163.3174.3-179.50109.3K248 D283 W284 Y289K248-K254 HydrophobicContact CD-CG 4.06Å; K254-D283 IonicContact NZ-OD2 3.29Å; K254-D283 PolarHBondContact NZ-OD2 3.03Å; K254-W284 HydrophobicContact CB-CH2 4.29Å; K254-W284 HydrophobicContact CB-CZ2 3.75Å; K254-W284 HydrophobicContact CD-CD2 4.48Å; K254-W284 HydrophobicContact CD-CE3 4.3Å; K254-W284 HydrophobicContact CD-CH2 3.64Å; K254-W284 HydrophobicContact CD-CZ2 3.8Å; K254-W284 HydrophobicContact CD-CZ3 3.9Å; K254-W284 VanDerWaalsContact CE-CZ3 3.49Å; K254-W284 HydrophobicContact CG-CH2 3.53Å; K254-W284 HydrophobicContact CG-CZ2 3.51Å; K254-W284 HydrophobicContact CG-CZ3 4.3Å; K254-Y289 HydrophobicContact CB-CD1 3.91Å; K254-Y289 HydrophobicContact CB-CE1 3.34Å; K254-Y289 HydrophobicContact CD-CD2 4.45Å; K254-Y289 HydrophobicContact CD-CE1 4.15Å; K254-Y289 HydrophobicContact CD-CE2 3.93Å; K254-Y289 HydrophobicContact CG-CE1 4.37Å
255I98.3Very high96.3Very high6 Ų645 Ų453%0.03124%0.239CC..  trans-117.4142.4175.6-57-63.4000108.9M214 A218 I244 F247 I253 W284M214-I255 HydrophobicContact CB-CG1 4.39Å; M214-I255 HydrophobicContact CG-CB 4.32Å; M214-I255 HydrophobicContact CG-CG1 3.98Å; M214-I255 HydrophobicContact CG-CG2 3.81Å; M214-I255 HydrophobicContact SD-CB 3.75Å; M214-I255 HydrophobicContact SD-CG1 3.66Å; M214-I255 HydrophobicContact SD-CG2 3.68Å; A218-I255 WeakPolarHBondContact O-CD1 3.5Å; I244-I255 HydrophobicContact CG1-CB 4.32Å; I244-I255 HydrophobicContact CG1-CG2 4.44Å; I244-I255 HydrophobicContact CG2-CB 4.33Å; I244-I255 WeakPolarHBondContact CG2-O 3.38Å; F247-I255 HydrophobicContact CD1-CD1 4.35Å; F247-I255 HydrophobicContact CD1-CG1 3.73Å; F247-I255 HydrophobicContact CE1-CD1 4.04Å; F247-I255 HydrophobicContact CE1-CG1 3.94Å; I253-I255 HydrophobicContact CG2-CD1 3.78Å; I253-I255 HydrophobicContact CG2-CG1 4.43Å; I255-W284 PolarHBondContact O-NE1 2.73Å
256G98.5Very high96.3Very high1 Ų141.1 Ų41.11%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-79.8152.9177.100000114.1D219 F220 I221 Y289D219-G256 PolarHBondContact O-N 2.92Å; F220-G256 VanDerWaalsContact CA-O 3.24Å; F220-G256 WeakPolarHBondContact CA-O 3.45Å; F220-G256 VanDerWaalsContact CD1-CA 3.43Å; F220-G256 VanDerWaalsContact CE1-CA 3.49Å; I221-G256 PolarHBondContact N-O 2.73Å; G256-Y289 CarbonylContact C-O 3.58Å; G256-Y289 VanDerWaalsContact CA-O 3.24Å; G256-Y289 WeakPolarHBondContact CA-O 3.48Å
257F98.9Very high96.4Very high0 Ų044.8 Ų44.80%024%0.237CC..EExtended strand (participates in β ladder)trans-116.7136.4175.5178.4-116.2000111T223 S237 M240 I244 P259 Y272 I276 Y289 L290 R291T223-F257 HydrophobicContact CG2-CE2 3.91Å; T223-F257 HydrophobicContact CG2-CZ 3.92Å; S237-F257 VanDerWaalsContact CB-CZ 3.42Å; S237-F257 WeakPolarHBondContact OG-CZ 3.27Å; M240-F257 HydrophobicContact CB-CD2 4.14Å; M240-F257 HydrophobicContact CB-CE2 3.8Å; M240-F257 HydrophobicContact CE-CD2 4.15Å; M240-F257 HydrophobicContact CE-CE2 3.85Å; M240-F257 HydrophobicContact CG-CE2 4.44Å; M240-F257 HydrophobicContact SD-CE2 3.87Å; I244-F257 HydrophobicContact CD1-CB 3.72Å; I244-F257 HydrophobicContact CD1-CD2 4.38Å; I244-F257 HydrophobicContact CD1-CG 4.43Å; F257-P259 HydrophobicContact CD1-CG 4.38Å; F257-P259 HydrophobicContact CE1-CB 3.91Å; F257-P259 HydrophobicContact CE1-CG 3.74Å; F257-P259 HydrophobicContact CZ-CB 3.93Å; F257-P259 HydrophobicContact CZ-CG 4.26Å; F257-Y272 HydrophobicContact CE1-CD1 4.32Å; F257-I276 HydrophobicContact CB-CD1 4.27Å; F257-I276 HydrophobicContact CD1-CD1 3.33Å; F257-I276 HydrophobicContact CD1-CG1 3.83Å; F257-I276 HydrophobicContact CE1-CD1 3.89Å; F257-I276 HydrophobicContact CE1-CG1 4.31Å; F257-I276 HydrophobicContact CG-CD1 3.97Å; F257-Y289 PolarHBondContact N-O 3.44Å; F257-L290 HydrophobicContact CB-CD1 4.48Å; F257-L290 HydrophobicContact CD1-CD1 3.8Å; F257-L290 WeakPolarHBondContact O-CA 3.38Å; F257-R291 PolarHBondContact O-N 2.91Å
258K98.9Very high96.4Very high0 Ų046.9 Ų46.90%025%0.248CC..EExtended strand (participates in β ladder)trans-132.796.3176.9-178.7168.2172-172.90112.3D53 D158 K192 F220 I221 K222 T223 R291D53-K258 WeakPolarHBondContact OD2-CE 3.46Å; D53-K258 IonicContact OD2-NZ 2.97Å; D53-K258 PolarHBondContact OD2-NZ 2.91Å; D158-K258 IonicContact OD1-NZ 3.75Å; D158-K258 IonicContact OD2-NZ 2.64Å; D158-K258 PolarHBondContact OD2-NZ 3.05Å; K192-K258 HydrophobicContact CD-CD 3.7Å; F220-K258 HydrophobicContact CD1-CB 4.15Å; I221-K258 PolarHBondContact O-N 3.34Å; K222-K258 VanDerWaalsContact CA-O 3.29Å; K222-K258 WeakPolarHBondContact CA-O 3.37Å; K222-K258 HydrophobicContact CB-CB 4.03Å; K222-K258 HydrophobicContact CB-CG 4.36Å; K222-K258 HydrophobicContact CD-CD 3.74Å; K222-K258 HydrophobicContact CD-CG 4.02Å; K222-K258 HydrophobicContact CG-CB 4.25Å; K222-K258 HydrophobicContact CG-CD 4.3Å; K222-K258 HydrophobicContact CG-CG 4.06Å; T223-K258 PolarHBondContact N-O 3.33Å; T223-K258 PolarHBondContact OG1-O 2.86Å; K258-R291 VanDerWaalsContact CA-O 3.28Å; K258-R291 WeakPolarHBondContact CA-O 3.48Å; K258-R291 HydrophobicContact CB-CB 4.11Å; K258-R291 HydrophobicContact CD-CB 3.85Å; K258-R291 HydrophobicContact CG-CB 3.86Å; K258-R291 WeakPolarHBondContact CG-O 3.41Å
259P98.7Very high96.5Very high0 Ų043.4 Ų43.40%023%0.233CC..  trans-71.2135.3166.732.2-34.7000108.8T223 A232 F257 L263 Y272 R291 F292 G293T223-P259 HydrophobicContact CG2-CB 4.46Å; T223-P259 WeakPolarHBondContact OG1-CA 3.28Å; A232-P259 HydrophobicContact CB-CB 3.87Å; F257-P259 HydrophobicContact CD1-CG 4.38Å; F257-P259 HydrophobicContact CE1-CB 3.91Å; F257-P259 HydrophobicContact CE1-CG 3.74Å; F257-P259 HydrophobicContact CZ-CB 3.93Å; F257-P259 HydrophobicContact CZ-CG 4.26Å; P259-L263 HydrophobicContact CB-CD1 4.25Å; P259-L263 HydrophobicContact CB-CD2 4.29Å; P259-L263 HydrophobicContact CG-CD2 4.08Å; P259-Y272 HydrophobicContact CB-CD1 3.73Å; P259-Y272 HydrophobicContact CB-CE1 3.5Å; P259-Y272 VanDerWaalsContact CB-CE1 3.5Å; P259-Y272 HydrophobicContact CB-CE2 4.4Å; P259-Y272 HydrophobicContact CB-CG 4.26Å; P259-Y272 HydrophobicContact CG-CD1 3.66Å; P259-Y272 HydrophobicContact CG-CD2 4.41Å; P259-Y272 HydrophobicContact CG-CE1 3.99Å; P259-Y272 HydrophobicContact CG-CG 3.89Å; P259-R291 WeakPolarHBondContact CD-O 3.4Å; P259-F292 HydrophobicContact CG-CD1 3.67Å; P259-F292 HydrophobicContact CG-CE1 3.9Å; P259-G293 PolarHBondContact O-N 3.17Å
260A98.3Very high96.6Very high2 Ų236.3 Ų36.32%0.01720%0.2CC..BIsolated β-bridgetrans-146.3140.7-17500000111.1K222 T223 S224 A232 G293K222-A260 HydrophobicContact CD-CB 4.16Å; K222-A260 HydrophobicContact CG-CB 4.07Å; T223-A260 PolarHBondContact OG1-N 3.12Å; T223-A260 PolarHBondContact OG1-O 3.29Å; S224-A260 WeakPolarHBondContact CB-O 3.42Å; S224-A260 WeakPolarHBondContact O-CB 3.43Å; A232-A260 WeakPolarHBondContact CB-O 3.34Å; A232-A260 PolarHBondContact N-O 3.28Å; A260-G293 WeakPolarHBondContact CA-O 3.18Å
261G93.7Very high96.8Very high13 Ų1333 Ų3313%0.13418%0.179CC..SBendtrans77.5129-176.500000112.6N231 A232 L263 G293N231-G261 VanDerWaalsContact CB-O 3.25Å; N231-G261 WeakPolarHBondContact CB-O 3.33Å; A232-G261 PolarHBondContact N-O 3.21Å; G261-L263 PolarHBondContact O-N 3.43Å; G261-G293 PolarHBondContact N-O 3.02Å
262G91.5Very high97Very high50 Ų5030.7 Ų30.752%0.51517%0.17SC..SBendtrans88.9-13.8177.600000115.8R264G262-R264 PolarHBondContact O-N 3.02Å
263L95.4Very high97.1Very high5 Ų528.7 Ų28.73%0.02615%0.149CC..  trans-75.3110.2174.1-61.882.1000109.5A232 P259 G261 D268 Y272 F292 L297A232-L263 HydrophobicContact CB-CD1 3.96Å; P259-L263 HydrophobicContact CB-CD1 4.25Å; P259-L263 HydrophobicContact CB-CD2 4.29Å; P259-L263 HydrophobicContact CG-CD2 4.08Å; G261-L263 PolarHBondContact O-N 3.43Å; L263-D268 HydrophobicContact CB-CB 4.35Å; L263-Y272 HydrophobicContact CD1-CE2 4.2Å; L263-Y272 HydrophobicContact CD2-CD2 3.43Å; L263-Y272 VanDerWaalsContact CD2-CD2 3.43Å; L263-Y272 HydrophobicContact CD2-CE2 3.61Å; L263-Y272 HydrophobicContact CD2-CG 4.24Å; L263-Y272 HydrophobicContact CG-CD2 3.97Å; L263-Y272 HydrophobicContact CG-CE2 3.62Å; L263-F292 HydrophobicContact CD2-CB 4.42Å; L263-F292 HydrophobicContact CD2-CD1 3.94Å; L263-F292 HydrophobicContact CD2-CE1 4.48Å; L263-F292 HydrophobicContact CD2-CG 4.27Å; L263-L297 HydrophobicContact CB-CD2 4.31Å
264R95Very high97.2Very high173 Ų17326.5 Ų26.565%0.65314%0.138SC*.  trans-124.5-23.4-172.5-67.3179.1-178.8-179.72.1113.5G262 D268 N300G262-R264 PolarHBondContact O-N 3.02Å; R264-D268 PolarHBondContact N-OD2 3.26Å; R264-N300 WeakPolarHBondContact O-CB 3.34Å
265T97.2Very high97.3Very high50 Ų5024 Ų2431%0.30713%0.127SC..SBendtrans-120.5156.5-168.269.50000112.8K267 D268 A269 L297 N300T265-K267 PolarHBondContact O-N 3.02Å; T265-K267 PolarHBondContact OG1-N 2.82Å; T265-D268 PolarHBondContact N-OD2 3.2Å; T265-D268 WeakPolarHBondContact O-CB 3.24Å; T265-D268 PolarHBondContact O-N 3.43Å; T265-D268 PolarHBondContact OG1-N 3.49Å; T265-D268 VanDerWaalsContact OG1-N 3.09Å; T265-D268 PolarHBondContact OG1-OD2 2.9Å; T265-A269 PolarHBondContact O-N 3.1Å; T265-L297 WeakPolarHBondContact O-CD1 3.35Å; T265-N300 WeakPolarHBondContact CA-OD1 3.21Å
266A97.1Very high97.3Very high5 Ų523.7 Ų23.74%0.04113%0.125CC..Hα-helixtrans-53.4-37168.800000112L45 A269 I270 N300 R304L45-A266 HydrophobicContact CD1-CB 4.4Å; L45-A266 HydrophobicContact CD2-CB 3.71Å; A266-A269 PolarHBondContact O-N 2.9Å; A266-I270 WeakPolarHBondContact O-CG1 3.44Å; A266-I270 PolarHBondContact O-N 2.83Å; A266-N300 PolarHBondContact N-OD1 3.48Å; A266-R304 HydrophobicContact CB-CB 3.54Å; A266-R304 HydrophobicContact CB-CG 3.66Å
267K96.6Very high97.3Very high111 Ų11125.3 Ų25.348%0.48313%0.134SC..Hα-helixtrans-63-40.9174.8-177.458.5161.975.10112.1T265 A269 I270 D271T265-K267 PolarHBondContact O-N 3.02Å; T265-K267 PolarHBondContact OG1-N 2.82Å; K267-A269 VanDerWaalsContact C-N 3.32Å; K267-A269 PolarHBondContact O-N 3.37Å; K267-I270 PolarHBondContact O-N 3.49Å; K267-D271 IonicContact NZ-OD1 2.75Å; K267-D271 PolarHBondContact NZ-OD1 3.1Å; K267-D271 IonicContact NZ-OD2 2.98Å; K267-D271 PolarHBondContact NZ-OD2 3.5Å; K267-D271 WeakPolarHBondContact O-CB 3.5Å; K267-D271 PolarHBondContact O-N 2.84Å
268D97.3Very high97.2Very high45 Ų4529.4 Ų29.424%0.24116%0.156CC..Hα-helixtrans-58.7-46.6175.2-58.2-44.3000110.5L263 R264 T265 I270 D271 Y272L263-D268 HydrophobicContact CB-CB 4.35Å; R264-D268 PolarHBondContact N-OD2 3.26Å; T265-D268 PolarHBondContact N-OD2 3.2Å; T265-D268 WeakPolarHBondContact O-CB 3.24Å; T265-D268 PolarHBondContact O-N 3.43Å; T265-D268 PolarHBondContact OG1-N 3.49Å; T265-D268 VanDerWaalsContact OG1-N 3.09Å; T265-D268 PolarHBondContact OG1-OD2 2.9Å; D268-I270 PolarHBondContact O-N 3.41Å; D268-D271 PolarHBondContact O-N 3.34Å; D268-Y272 WeakPolarHBondContact O-CD2 3.46Å; D268-Y272 PolarHBondContact O-N 3.09Å
269A98Very high97.1Very high0 Ų030.3 Ų30.30%016%0.161CC..Hα-helixtrans-59.9-44.1178.400000112.6A48 T265 A266 K267 L273 F292 L297 V301A48-A269 HydrophobicContact CB-CB 3.81Å; T265-A269 PolarHBondContact O-N 3.1Å; A266-A269 PolarHBondContact O-N 2.9Å; K267-A269 VanDerWaalsContact C-N 3.32Å; K267-A269 PolarHBondContact O-N 3.37Å; A269-L273 WeakPolarHBondContact O-CB 3.05Å; A269-L273 WeakPolarHBondContact O-CG 3.41Å; A269-L273 PolarHBondContact O-N 2.71Å; A269-F292 HydrophobicContact CB-CE2 4.04Å; A269-L297 HydrophobicContact CB-CD1 4.23Å; A269-L297 HydrophobicContact CB-CD2 4.31Å; A269-V301 HydrophobicContact CB-CG2 4.48Å
270I98.2Very high97.1Very high10 Ų1031.2 Ų31.25%0.05117%0.166CC..Hα-helixtrans-63-44175.8-64.8-57.6000110.9L36 W44 L45 A266 K267 D268 Y272 L273 Q274L36-I270 HydrophobicContact CD1-CD1 3.94Å; L36-I270 HydrophobicContact CD1-CG2 3.83Å; L36-I270 HydrophobicContact CG-CG2 4.48Å; W44-I270 HydrophobicContact CB-CD1 3.41Å; W44-I270 VanDerWaalsContact CB-CD1 3.41Å; W44-I270 HydrophobicContact CD2-CD1 4.45Å; W44-I270 HydrophobicContact CE3-CD1 3.98Å; W44-I270 HydrophobicContact CE3-CG2 4.37Å; W44-I270 HydrophobicContact CG-CD1 4.29Å; L45-I270 HydrophobicContact CD2-CD1 4.05Å; L45-I270 HydrophobicContact CD2-CG1 4.11Å; L45-I270 HydrophobicContact CG-CD1 4.26Å; A266-I270 WeakPolarHBondContact O-CG1 3.44Å; A266-I270 PolarHBondContact O-N 2.83Å; K267-I270 PolarHBondContact O-N 3.49Å; D268-I270 PolarHBondContact O-N 3.41Å; I270-Y272 PolarHBondContact O-N 3.09Å; I270-L273 WeakPolarHBondContact O-CB 3.37Å; I270-L273 PolarHBondContact O-N 2.56Å; I270-Q274 HydrophobicContact CG2-CG 4.15Å; I270-Q274 WeakPolarHBondContact O-CB 3.4Å; I270-Q274 WeakPolarHBondContact O-CG 3.42Å; I270-Q274 PolarHBondContact O-N 3.45Å
271D98Very high97.1Very high16 Ų1632.4 Ų32.49%0.08618%0.179CC..Hα-helixtrans-63.4-42.5-178.1-70.8-10.3000112T32 L234 K267 D268 Q274 L275T32-D271 HydrophobicContact CG2-CB 4.25Å; T32-D271 WeakPolarHBondContact CG2-O 3.37Å; L234-D271 HydrophobicContact CD1-CB 4.09Å; L234-D271 HydrophobicContact CD2-CB 4.07Å; K267-D271 IonicContact NZ-OD1 2.75Å; K267-D271 PolarHBondContact NZ-OD1 3.1Å; K267-D271 IonicContact NZ-OD2 2.98Å; K267-D271 PolarHBondContact NZ-OD2 3.5Å; K267-D271 WeakPolarHBondContact O-CB 3.5Å; K267-D271 PolarHBondContact O-N 2.84Å; D268-D271 PolarHBondContact O-N 3.34Å; D271-Q274 PolarHBondContact O-N 2.82Å; D271-L275 WeakPolarHBondContact O-CB 3.46Å; D271-L275 PolarHBondContact O-N 2.99Å
272Y98.5Very high97.2Very high11 Ų1135.3 Ų35.34%0.04320%0.197CC..Hα-helixtrans-68.1-37.7175-78.6-71.9000112.8A232 T233 L234 S237 F257 P259 L263 D268 I270 I276 F292A232-Y272 VanDerWaalsContact C-OH 3.24Å; A232-Y272 VanDerWaalsContact CB-OH 3.32Å; A232-Y272 WeakPolarHBondContact CB-OH 3.41Å; A232-Y272 PolarHBondContact O-OH 3.49Å; T233-Y272 PolarHBondContact N-OH 2.88Å; L234-Y272 HydrophobicContact CD2-CD1 3.95Å; L234-Y272 HydrophobicContact CD2-CD2 4.45Å; L234-Y272 HydrophobicContact CD2-CE1 3.85Å; L234-Y272 HydrophobicContact CD2-CE2 4.33Å; L234-Y272 HydrophobicContact CD2-CG 4.25Å; S237-Y272 WeakPolarHBondContact OG-CE1 3.35Å; F257-Y272 HydrophobicContact CE1-CD1 4.32Å; P259-Y272 HydrophobicContact CB-CD1 3.73Å; P259-Y272 HydrophobicContact CB-CE1 3.5Å; P259-Y272 VanDerWaalsContact CB-CE1 3.5Å; P259-Y272 HydrophobicContact CB-CE2 4.4Å; P259-Y272 HydrophobicContact CB-CG 4.26Å; P259-Y272 HydrophobicContact CG-CD1 3.66Å; P259-Y272 HydrophobicContact CG-CD2 4.41Å; P259-Y272 HydrophobicContact CG-CE1 3.99Å; P259-Y272 HydrophobicContact CG-CG 3.89Å; L263-Y272 HydrophobicContact CD1-CE2 4.2Å; L263-Y272 HydrophobicContact CD2-CD2 3.43Å; L263-Y272 VanDerWaalsContact CD2-CD2 3.43Å; L263-Y272 HydrophobicContact CD2-CE2 3.61Å; L263-Y272 HydrophobicContact CD2-CG 4.24Å; L263-Y272 HydrophobicContact CG-CD2 3.97Å; L263-Y272 HydrophobicContact CG-CE2 3.62Å; D268-Y272 WeakPolarHBondContact O-CD2 3.46Å; D268-Y272 PolarHBondContact O-N 3.09Å; I270-Y272 PolarHBondContact O-N 3.09Å; Y272-I276 WeakPolarHBondContact O-CB 3.5Å; Y272-I276 VanDerWaalsContact O-CG1 3.29Å; Y272-I276 WeakPolarHBondContact O-CG1 3.21Å; Y272-I276 PolarHBondContact O-N 3.16Å; Y272-I276 VanDerWaalsContact O-N 3.09Å; Y272-F292 HydrophobicContact CG-CE1 4.36Å
273L98.4Very high97.5Very high1 Ų138.1 Ų38.11%0.00520%0.2CC..Hα-helixtrans-61-45.7172.2-83.4166.3000111.1W44 K47 A48 L51 A269 I270 I276 D277 T285 L290 F292W44-L273 HydrophobicContact CB-CD1 4.24Å; W44-L273 HydrophobicContact CD2-CD1 4.42Å; W44-L273 HydrophobicContact CE3-CB 3.5Å; W44-L273 HydrophobicContact CE3-CD1 3.86Å; W44-L273 HydrophobicContact CE3-CG 4.27Å; W44-L273 HydrophobicContact CH2-CB 4.42Å; W44-L273 HydrophobicContact CZ3-CB 3.4Å; W44-L273 VanDerWaalsContact CZ3-CB 3.4Å; W44-L273 WeakPolarHBondContact O-CD1 3.37Å; K47-L273 HydrophobicContact CD-CD2 3.89Å; K47-L273 HydrophobicContact CG-CD2 4.39Å; A48-L273 HydrophobicContact CB-CD1 4.14Å; L51-L273 HydrophobicContact CD1-CD2 3.64Å; L51-L273 HydrophobicContact CD1-CG 4.46Å; A269-L273 WeakPolarHBondContact O-CB 3.05Å; A269-L273 WeakPolarHBondContact O-CG 3.41Å; A269-L273 PolarHBondContact O-N 2.71Å; I270-L273 WeakPolarHBondContact O-CB 3.37Å; I270-L273 PolarHBondContact O-N 2.56Å; L273-I276 PolarHBondContact O-N 3.17Å; L273-D277 WeakPolarHBondContact O-CB 3.19Å; L273-D277 PolarHBondContact O-N 3.21Å; L273-T285 HydrophobicContact CD2-CG2 4.09Å; L273-L290 HydrophobicContact CD2-CD2 3.89Å; L273-F292 HydrophobicContact CG-CZ 4.11Å
274Q98.2Very high97.7Very high4 Ų438.6 Ų38.62%0.01920%0.201CC..Hα-helixtrans-64.4-44.3-179.4-73.9-176-20.400111T32 T34 W44 I270 D271 I276 D277 N278T32-Q274 VanDerWaalsContact CA-OE1 3.26Å; T32-Q274 HydrophobicContact CG2-CB 4.38Å; T32-Q274 PolarHBondContact O-OE1 2.97Å; T32-Q274 VanDerWaalsContact O-OE1 3.13Å; T34-Q274 PolarHBondContact O-NE2 3.42Å; W44-Q274 HydrophobicContact CE3-CG 4.39Å; W44-Q274 HydrophobicContact CH2-CG 3.76Å; W44-Q274 HydrophobicContact CZ3-CB 4.21Å; W44-Q274 HydrophobicContact CZ3-CG 3.37Å; I270-Q274 HydrophobicContact CG2-CG 4.15Å; I270-Q274 WeakPolarHBondContact O-CB 3.4Å; I270-Q274 WeakPolarHBondContact O-CG 3.42Å; I270-Q274 PolarHBondContact O-N 3.45Å; D271-Q274 PolarHBondContact O-N 2.82Å; Q274-I276 VanDerWaalsContact C-N 3.32Å; Q274-I276 PolarHBondContact O-N 2.79Å; Q274-D277 PolarHBondContact O-N 3.18Å; Q274-N278 WeakPolarHBondContact O-CB 3.48Å; Q274-N278 VanDerWaalsContact O-CG 3.25Å; Q274-N278 PolarHBondContact O-N 3.34Å; Q274-N278 PolarHBondContact O-ND2 3.2Å; Q274-N278 VanDerWaalsContact O-ND2 3.1Å
275L98.4Very high97.8Very high0 Ų030.7 Ų30.70%017%0.172CC..Hα-helixtrans-57.3-47.7177.1-176.767.9000111.1L31 T32 L234 L238 D271 V279L31-L275 HydrophobicContact CB-CD1 4.15Å; L31-L275 HydrophobicContact CD1-CD1 3.83Å; T32-L275 HydrophobicContact CG2-CB 3.85Å; T32-L275 HydrophobicContact CG2-CD1 4.43Å; L234-L275 HydrophobicContact CD2-CD2 4.09Å; L238-L275 HydrophobicContact CB-CD1 4.18Å; L238-L275 HydrophobicContact CD1-CD1 4.17Å; D271-L275 WeakPolarHBondContact O-CB 3.46Å; D271-L275 PolarHBondContact O-N 2.99Å; L275-V279 HydrophobicContact CD1-CG2 4.35Å; L275-V279 WeakPolarHBondContact O-CB 3.21Å; L275-V279 WeakPolarHBondContact O-CG2 3.34Å; L275-V279 PolarHBondContact O-N 3.31Å; L275-V279 VanDerWaalsContact O-N 3.1Å
276I98.6Very high97.8Very high0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-73.7-41.3-176.6-64.9-62.6000111.8A241 F257 Y272 L273 Q274 N278 V279 L280 G281 W284 T285 L290A241-I276 HydrophobicContact CB-CD1 4Å; F257-I276 HydrophobicContact CB-CD1 4.27Å; F257-I276 HydrophobicContact CD1-CD1 3.33Å; F257-I276 HydrophobicContact CD1-CG1 3.83Å; F257-I276 HydrophobicContact CE1-CD1 3.89Å; F257-I276 HydrophobicContact CE1-CG1 4.31Å; F257-I276 HydrophobicContact CG-CD1 3.97Å; Y272-I276 WeakPolarHBondContact O-CB 3.5Å; Y272-I276 VanDerWaalsContact O-CG1 3.29Å; Y272-I276 WeakPolarHBondContact O-CG1 3.21Å; Y272-I276 PolarHBondContact O-N 3.16Å; Y272-I276 VanDerWaalsContact O-N 3.09Å; L273-I276 PolarHBondContact O-N 3.17Å; Q274-I276 VanDerWaalsContact C-N 3.32Å; Q274-I276 PolarHBondContact O-N 2.79Å; I276-N278 PolarHBondContact O-N 3.03Å; I276-V279 PolarHBondContact O-N 3.47Å; I276-L280 HydrophobicContact CD1-CD1 4.19Å; I276-L280 HydrophobicContact CG2-CB 4.45Å; I276-L280 HydrophobicContact CG2-CD1 4.31Å; I276-L280 WeakPolarHBondContact O-CA 3.46Å; I276-L280 WeakPolarHBondContact O-CB 3.18Å; I276-L280 PolarHBondContact O-N 2.96Å; I276-G281 PolarHBondContact O-N 3.14Å; I276-W284 HydrophobicContact CG2-CB 3.67Å; I276-T285 HydrophobicContact CG2-CG2 4.41Å; I276-L290 HydrophobicContact CB-CD2 4.2Å; I276-L290 HydrophobicContact CG1-CD1 4.04Å; I276-L290 HydrophobicContact CG1-CD2 4.31Å; I276-L290 HydrophobicContact CG2-CD2 4.17Å
277D98.1Very high97.8Very high35 Ų3532.5 Ų32.519%0.18718%0.182CC..Hα-helixtrans-60.1-45.8175.1-170.169000111.4W44 L273 Q274 V279 G281 S282 T285W44-D277 HydrophobicContact CH2-CB 4.36Å; L273-D277 WeakPolarHBondContact O-CB 3.19Å; L273-D277 PolarHBondContact O-N 3.21Å; Q274-D277 PolarHBondContact O-N 3.18Å; D277-V279 PolarHBondContact O-N 3.16Å; D277-G281 WeakPolarHBondContact O-CA 3.16Å; D277-G281 PolarHBondContact O-N 3.24Å; D277-S282 WeakPolarHBondContact OD1-CA 3.4Å; D277-S282 WeakPolarHBondContact OD1-CB 3.23Å; D277-S282 PolarHBondContact OD1-N 3.42Å; D277-S282 VanDerWaalsContact OD1-N 3.17Å; D277-S282 PolarHBondContact OD1-OG 3.46Å; D277-T285 HydrophobicContact CB-CG2 3.96Å
278N97.9Very high97.8Very high86 Ų8630.1 Ų30.146%0.4617%0.174SC..Hα-helixtrans-73.9-26.7-177.8-71.1-38.2000113.8L31 Q274 I276L31-N278 HydrophobicContact CD2-CB 3.72Å; L31-N278 PolarHBondContact O-ND2 3.39Å; Q274-N278 WeakPolarHBondContact O-CB 3.48Å; Q274-N278 VanDerWaalsContact O-CG 3.25Å; Q274-N278 PolarHBondContact O-N 3.34Å; Q274-N278 PolarHBondContact O-ND2 3.2Å; Q274-N278 VanDerWaalsContact O-ND2 3.1Å; I276-N278 PolarHBondContact O-N 3.03Å
279V97.3Very high97.9Very high19 Ų1931.1 Ų31.112%0.11518%0.175CC..Hα-helixtrans-94.6-45.5-178.7177.60000112.2L31 L238 A241 R242 Q245 L275 I276 D277L31-V279 HydrophobicContact CD1-CG2 3.7Å; L238-V279 HydrophobicContact CD1-CG2 3.72Å; A241-V279 HydrophobicContact CB-CB 4.3Å; A241-V279 HydrophobicContact CB-CG1 3.82Å; R242-V279 HydrophobicContact CG-CG1 4.32Å; Q245-V279 PolarHBondContact NE2-O 3.25Å; L275-V279 HydrophobicContact CD1-CG2 4.35Å; L275-V279 WeakPolarHBondContact O-CB 3.21Å; L275-V279 WeakPolarHBondContact O-CG2 3.34Å; L275-V279 PolarHBondContact O-N 3.31Å; L275-V279 VanDerWaalsContact O-N 3.1Å; I276-V279 PolarHBondContact O-N 3.47Å; D277-V279 PolarHBondContact O-N 3.16Å
280L98Very high97.9Very high20 Ų2031.1 Ų31.111%0.10518%0.175CC..Hα-helixtrans-106.6-17.1-173.1-63.5178.7000113.2A241 I244 Q245 I276 W284A241-L280 HydrophobicContact CB-CD1 4.3Å; A241-L280 HydrophobicContact CB-CG 4.41Å; A241-L280 WeakPolarHBondContact O-CD2 3.46Å; I244-L280 HydrophobicContact CB-CD1 4.21Å; I244-L280 HydrophobicContact CB-CD2 4.29Å; I244-L280 HydrophobicContact CD1-CD1 4.38Å; I244-L280 HydrophobicContact CG2-CD1 3.88Å; I244-L280 HydrophobicContact CG2-CD2 4.01Å; Q245-L280 HydrophobicContact CB-CD2 3.84Å; I276-L280 HydrophobicContact CD1-CD1 4.19Å; I276-L280 HydrophobicContact CG2-CB 4.45Å; I276-L280 HydrophobicContact CG2-CD1 4.31Å; I276-L280 WeakPolarHBondContact O-CA 3.46Å; I276-L280 WeakPolarHBondContact O-CB 3.18Å; I276-L280 PolarHBondContact O-N 2.96Å; L280-W284 HydrophobicContact CB-CB 3.94Å; L280-W284 HydrophobicContact CB-CD2 3.74Å; L280-W284 HydrophobicContact CB-CE3 3.95Å; L280-W284 HydrophobicContact CB-CG 3.72Å; L280-W284 HydrophobicContact CD1-CB 4.46Å; L280-W284 HydrophobicContact CD1-CD2 4.29Å; L280-W284 HydrophobicContact CD1-CG 3.88Å; L280-W284 HydrophobicContact CG-CG 4.41Å; L280-W284 WeakPolarHBondContact O-CZ3 3.23Å
281G98Very high98Very high27 Ų2730.6 Ų30.628%0.27817%0.173SC..  trans93.2160-176.700000113.5I276 D277 D283 W284I276-G281 PolarHBondContact O-N 3.14Å; D277-G281 WeakPolarHBondContact O-CA 3.16Å; D277-G281 PolarHBondContact O-N 3.24Å; G281-D283 PolarHBondContact O-N 3.49Å; G281-W284 PolarHBondContact O-N 2.86Å
282S96.9Very high98Very high74 Ų7429.9 Ų29.952%0.51717%0.169SC..G310 helixtrans-57.4-25.8-176.7-47.80000114.2D277 W284 T285D277-S282 WeakPolarHBondContact OD1-CA 3.4Å; D277-S282 WeakPolarHBondContact OD1-CB 3.23Å; D277-S282 PolarHBondContact OD1-N 3.42Å; D277-S282 VanDerWaalsContact OD1-N 3.17Å; D277-S282 PolarHBondContact OD1-OG 3.46Å; S282-W284 PolarHBondContact O-N 3.49Å; S282-W284 VanDerWaalsContact O-N 3.14Å; S282-T285 PolarHBondContact O-N 3.47Å; S282-T285 PolarHBondContact O-OG1 2.88Å
283D97.1Very high98Very high108 Ų10829.7 Ų29.758%0.57817%0.17SC*.G310 helixtrans-56.2-19.4172-105.829.6000114.7K254 G281 N286K254-D283 IonicContact NZ-OD2 3.29Å; K254-D283 PolarHBondContact NZ-OD2 3.03Å; G281-D283 PolarHBondContact O-N 3.49Å; D283-N286 PolarHBondContact O-ND2 3.41Å
284W98.4Very high97.9Very high16 Ų1630 Ų306%0.06117%0.172CC..G310 helixtrans-94-12.5173.7-96.6-102.6000113.7I244 K248 K254 I255 I276 L280 G281 S282 N286 Y289 L290I244-W284 HydrophobicContact CG2-CZ2 4.15Å; K248-W284 HydrophobicContact CD-CH2 4.32Å; K248-W284 HydrophobicContact CG-CH2 4.01Å; K248-W284 HydrophobicContact CG-CZ2 4.5Å; K254-W284 HydrophobicContact CB-CH2 4.29Å; K254-W284 HydrophobicContact CB-CZ2 3.75Å; K254-W284 HydrophobicContact CD-CD2 4.48Å; K254-W284 HydrophobicContact CD-CE3 4.3Å; K254-W284 HydrophobicContact CD-CH2 3.64Å; K254-W284 HydrophobicContact CD-CZ2 3.8Å; K254-W284 HydrophobicContact CD-CZ3 3.9Å; K254-W284 VanDerWaalsContact CE-CZ3 3.49Å; K254-W284 HydrophobicContact CG-CH2 3.53Å; K254-W284 HydrophobicContact CG-CZ2 3.51Å; K254-W284 HydrophobicContact CG-CZ3 4.3Å; I255-W284 PolarHBondContact O-NE1 2.73Å; I276-W284 HydrophobicContact CG2-CB 3.67Å; L280-W284 HydrophobicContact CB-CB 3.94Å; L280-W284 HydrophobicContact CB-CD2 3.74Å; L280-W284 HydrophobicContact CB-CE3 3.95Å; L280-W284 HydrophobicContact CB-CG 3.72Å; L280-W284 HydrophobicContact CD1-CB 4.46Å; L280-W284 HydrophobicContact CD1-CD2 4.29Å; L280-W284 HydrophobicContact CD1-CG 3.88Å; L280-W284 HydrophobicContact CG-CG 4.41Å; L280-W284 WeakPolarHBondContact O-CZ3 3.23Å; G281-W284 PolarHBondContact O-N 2.86Å; S282-W284 PolarHBondContact O-N 3.49Å; S282-W284 VanDerWaalsContact O-N 3.14Å; W284-N286 PolarHBondContact O-N 3.46Å; W284-Y289 VanDerWaalsContact CD1-CB 3.48Å; W284-Y289 CarbonylContact O-C 3.59Å; W284-L290 VanDerWaalsContact O-CB 3.24Å; W284-L290 WeakPolarHBondContact O-CB 3.5Å
285T97.8Very high97.8Very high6 Ų634.3 Ų34.34%0.03720%0.203CC..SBendtrans-85.245.9-17567.50000112.9K47 L273 I276 D277 S282K47-T285 WeakPolarHBondContact CD-O 3.41Å; K47-T285 PolarHBondContact NZ-OG1 3.31Å; L273-T285 HydrophobicContact CD2-CG2 4.09Å; I276-T285 HydrophobicContact CG2-CG2 4.41Å; D277-T285 HydrophobicContact CB-CG2 3.96Å; S282-T285 PolarHBondContact O-N 3.47Å; S282-T285 PolarHBondContact O-OG1 2.88Å
286N97.4Very high97.6Very high50 Ų5036.9 Ų36.927%0.26722%0.221SC..SBendtrans-138164.6178.471.571.5000111D283 W284 D288 Y289 L290D283-N286 PolarHBondContact O-ND2 3.41Å; W284-N286 PolarHBondContact O-N 3.46Å; N286-D288 PolarHBondContact O-N 2.86Å; N286-D288 WeakPolarHBondContact OD1-CA 3.42Å; N286-D288 VanDerWaalsContact OD1-CB 3.24Å; N286-D288 WeakPolarHBondContact OD1-CB 3.31Å; N286-D288 PolarHBondContact OD1-N 3.18Å; N286-Y289 PolarHBondContact O-N 2.94Å; N286-L290 PolarHBondContact O-N 3.26Å
287P97.6Very high97.5Very high44 Ų4436.9 Ų36.929%0.28622%0.221SC..THydrogen-bonded Turntrans-62.1-14.3-173.4-22.833.6000114.6C50 L51 A99 Y289 R291C50-P287 WeakPolarHBondContact O-CG 3.48Å; L51-P287 HydrophobicContact CD2-CB 4.5Å; L51-P287 HydrophobicContact CD2-CG 4.04Å; A99-P287 HydrophobicContact CB-CB 4.29Å; P287-Y289 VanDerWaalsContact C-N 3.34Å; P287-R291 PolarHBondContact O-NE 3.31Å; P287-R291 PolarHBondContact O-NH2 2.59Å
288D97Very high97.5Very high61 Ų6135.5 Ų35.533%0.32621%0.214SC..THydrogen-bonded Turntrans-79.4-19.4176.7-68.73.4000113M1 F220 N286M1-D288 HydrophobicContact CE-CB 4.22Å; M1-D288 WeakPolarHBondContact CE-OD1 3.48Å; M1-D288 HydrophobicContact CG-CB 3.5Å; M1-D288 VanDerWaalsContact CG-OD1 3.23Å; M1-D288 WeakPolarHBondContact CG-OD1 3.24Å; M1-D288 VanDerWaalsContact CG-OD2 3.31Å; M1-D288 WeakPolarHBondContact CG-OD2 3.5Å; M1-D288 WeakPolarHBondContact SD-CA 3.15Å; M1-D288 HydrophobicContact SD-CB 3.82Å; F220-D288 VanDerWaalsContact CE2-O 3.3Å; F220-D288 WeakPolarHBondContact CE2-O 3.25Å; F220-D288 WeakPolarHBondContact CZ-O 3.13Å; N286-D288 PolarHBondContact O-N 2.86Å; N286-D288 WeakPolarHBondContact OD1-CA 3.42Å; N286-D288 VanDerWaalsContact OD1-CB 3.24Å; N286-D288 WeakPolarHBondContact OD1-CB 3.31Å; N286-D288 PolarHBondContact OD1-N 3.18Å
289Y98.3Very high97.4Very high65 Ų6534 Ų3426%0.25521%0.213SC..THydrogen-bonded Turntrans-137.2-7.3-174.2-55.2-67000115.7K254 G256 F257 W284 N286 P287K254-Y289 HydrophobicContact CB-CD1 3.91Å; K254-Y289 HydrophobicContact CB-CE1 3.34Å; K254-Y289 HydrophobicContact CD-CD2 4.45Å; K254-Y289 HydrophobicContact CD-CE1 4.15Å; K254-Y289 HydrophobicContact CD-CE2 3.93Å; K254-Y289 HydrophobicContact CG-CE1 4.37Å; G256-Y289 CarbonylContact C-O 3.58Å; G256-Y289 VanDerWaalsContact CA-O 3.24Å; G256-Y289 WeakPolarHBondContact CA-O 3.48Å; F257-Y289 PolarHBondContact N-O 3.44Å; W284-Y289 VanDerWaalsContact CD1-CB 3.48Å; W284-Y289 CarbonylContact O-C 3.59Å; N286-Y289 PolarHBondContact O-N 2.94Å; P287-Y289 VanDerWaalsContact C-N 3.34Å
290L98.8Very high97.4Very high0 Ų036 Ų360%022%0.224CC..BIsolated β-bridgetrans-136.6129.1173.5-177.757.6000110.5L51 F257 L273 I276 W284 N286 F292L51-L290 HydrophobicContact CD1-CB 4.33Å; L51-L290 HydrophobicContact CD1-CD2 3.77Å; L51-L290 HydrophobicContact CD1-CG 3.99Å; L51-L290 WeakPolarHBondContact CD2-O 3.47Å; F257-L290 HydrophobicContact CB-CD1 4.48Å; F257-L290 HydrophobicContact CD1-CD1 3.8Å; F257-L290 WeakPolarHBondContact O-CA 3.38Å; L273-L290 HydrophobicContact CD2-CD2 3.89Å; I276-L290 HydrophobicContact CB-CD2 4.2Å; I276-L290 HydrophobicContact CG1-CD1 4.04Å; I276-L290 HydrophobicContact CG1-CD2 4.31Å; I276-L290 HydrophobicContact CG2-CD2 4.17Å; W284-L290 VanDerWaalsContact O-CB 3.24Å; W284-L290 WeakPolarHBondContact O-CB 3.5Å; N286-L290 PolarHBondContact O-N 3.26Å; L290-F292 HydrophobicContact CD1-CE1 4.09Å; L290-F292 HydrophobicContact CD2-CE1 4.29Å; L290-F292 HydrophobicContact CD2-CZ 4.27Å; L290-F292 HydrophobicContact CG-CE1 4.19Å
291R98.9Very high97.3Very high0 Ų035.1 Ų35.10%022%0.219CC..  trans-134.5142.5176.3-63.4-64.3-170.678.49.5112L51 D53 A99 E156 F220 F257 K258 P259 P287L51-R291 CarbonylContact O-C 3.51Å; L51-R291 WeakPolarHBondContact O-CA 3.39Å; D53-R291 VanDerWaalsContact OD1-CD 3.29Å; D53-R291 WeakPolarHBondContact OD1-CD 3.4Å; D53-R291 IonicContact OD1-CZ 2.71Å; D53-R291 IonicContact OD1-NE 2.74Å; D53-R291 IonicContact OD1-NH1 3.37Å; D53-R291 PolarHBondContact OD1-NH1 2.94Å; D53-R291 IonicContact OD2-NH1 3.91Å; A99-R291 VanDerWaalsContact CB-CD 3.48Å; E156-R291 IonicContact OE1-CZ 3.94Å; E156-R291 IonicContact OE1-NH1 2.69Å; E156-R291 PolarHBondContact OE1-NH1 3.37Å; E156-R291 IonicContact OE1-NH2 3.6Å; E156-R291 PolarHBondContact OE1-NH2 2.92Å; E156-R291 IonicContact OE2-CZ 2.67Å; E156-R291 IonicContact OE2-NH1 2.61Å; E156-R291 PolarHBondContact OE2-NH1 3.37Å; F220-R291 HydrophobicContact CD1-CG 4.36Å; F220-R291 HydrophobicContact CE1-CB 4.23Å; F220-R291 HydrophobicContact CE1-CG 3.62Å; F220-R291 HydrophobicContact CZ-CG 3.85Å; F257-R291 PolarHBondContact O-N 2.91Å; K258-R291 VanDerWaalsContact CA-O 3.28Å; K258-R291 WeakPolarHBondContact CA-O 3.48Å; K258-R291 HydrophobicContact CB-CB 4.11Å; K258-R291 HydrophobicContact CD-CB 3.85Å; K258-R291 HydrophobicContact CG-CB 3.86Å; K258-R291 WeakPolarHBondContact CG-O 3.41Å; P259-R291 WeakPolarHBondContact CD-O 3.4Å; P287-R291 PolarHBondContact O-NE 3.31Å; P287-R291 PolarHBondContact O-NH2 2.59Å
292F98.8Very high97.3Very high0 Ų034 Ų340%021%0.207CC..EExtended strand (participates in β ladder)trans-104.7108.5172.5-61.2-34.3000110.9A48 L51 I52 D53 P259 L263 A269 Y272 L273 L290 A294 L297A48-F292 HydrophobicContact CB-CD2 4.38Å; A48-F292 HydrophobicContact CB-CE2 3.88Å; L51-F292 HydrophobicContact CB-CD2 4.12Å; L51-F292 HydrophobicContact CB-CE2 4.29Å; L51-F292 HydrophobicContact CD1-CE2 4.25Å; L51-F292 HydrophobicContact CD1-CZ 4.43Å; L51-F292 PolarHBondContact O-N 3.03Å; I52-F292 HydrophobicContact CG1-CB 4.19Å; I52-F292 HydrophobicContact CG1-CD2 4.43Å; D53-F292 PolarHBondContact N-O 2.98Å; P259-F292 HydrophobicContact CG-CD1 3.67Å; P259-F292 HydrophobicContact CG-CE1 3.9Å; L263-F292 HydrophobicContact CD2-CB 4.42Å; L263-F292 HydrophobicContact CD2-CD1 3.94Å; L263-F292 HydrophobicContact CD2-CE1 4.48Å; L263-F292 HydrophobicContact CD2-CG 4.27Å; A269-F292 HydrophobicContact CB-CE2 4.04Å; Y272-F292 HydrophobicContact CG-CE1 4.36Å; L273-F292 HydrophobicContact CG-CZ 4.11Å; L290-F292 HydrophobicContact CD1-CE1 4.09Å; L290-F292 HydrophobicContact CD2-CE1 4.29Å; L290-F292 HydrophobicContact CD2-CZ 4.27Å; L290-F292 HydrophobicContact CG-CE1 4.19Å; F292-A294 PolarHBondContact O-N 2.93Å; F292-A294 VanDerWaalsContact O-N 3.12Å; F292-L297 HydrophobicContact CB-CD2 3.97Å; F292-L297 HydrophobicContact CD2-CD2 3.97Å; F292-L297 HydrophobicContact CG-CD2 4.18Å
293G98.4Very high97.3Very high7 Ų732.4 Ų32.47%0.07219%0.194CC..EExtended strand (participates in β ladder)trans-77.893173.600000111P259 A260 G261P259-G293 PolarHBondContact O-N 3.17Å; A260-G293 WeakPolarHBondContact CA-O 3.18Å; G261-G293 PolarHBondContact N-O 3.02Å
294A96.5Very high97.3Very high7 Ų731.3 Ų31.36%0.05818%0.181CC..EExtended strand (participates in β ladder)trans-142.3144.8-17300000113.3D53 T55 F292 L297D53-A294 PolarHBondContact O-N 3.39Å; T55-A294 PolarHBondContact N-O 3.06Å; F292-A294 PolarHBondContact O-N 2.93Å; F292-A294 VanDerWaalsContact O-N 3.12Å; A294-L297 HydrophobicContact CB-CB 3.42Å; A294-L297 VanDerWaalsContact CB-CB 3.42Å; A294-L297 HydrophobicContact CB-CD2 4.16Å; A294-L297 HydrophobicContact CB-CG 4.45Å
295S95.1Very high97.2Very high95 Ų9530.6 Ų30.666%0.66418%0.179SC*.SBendtrans-101.3-27.1173.355.30000113.1T55T55-S295 WeakPolarHBondContact O-CA 3.38Å; T55-S295 VanDerWaalsContact O-CB 3.24Å; T55-S295 WeakPolarHBondContact O-CB 3.48Å
296S94.2Very high97.1Very high55 Ų5531 Ų3139%0.38518%0.179SC..SBendtrans-120.1-8.3-174.8650000115L298S296-L298 PolarHBondContact O-N 3.15Å
297L97.7Very high97Very high0 Ų028.8 Ų28.80%017%0.168CC..Hα-helixtrans-61.4-42.5-175.7179.260.4000112.2I52 L263 T265 A269 F292 A294 A299 N300 V301I52-L297 HydrophobicContact CD1-CD2 4.26Å; I52-L297 HydrophobicContact CD1-CG 4.25Å; I52-L297 HydrophobicContact CG1-CD2 4.2Å; L263-L297 HydrophobicContact CB-CD2 4.31Å; T265-L297 WeakPolarHBondContact O-CD1 3.35Å; A269-L297 HydrophobicContact CB-CD1 4.23Å; A269-L297 HydrophobicContact CB-CD2 4.31Å; F292-L297 HydrophobicContact CB-CD2 3.97Å; F292-L297 HydrophobicContact CD2-CD2 3.97Å; F292-L297 HydrophobicContact CG-CD2 4.18Å; A294-L297 HydrophobicContact CB-CB 3.42Å; A294-L297 VanDerWaalsContact CB-CB 3.42Å; A294-L297 HydrophobicContact CB-CD2 4.16Å; A294-L297 HydrophobicContact CB-CG 4.45Å; L297-A299 VanDerWaalsContact C-N 3.35Å; L297-A299 PolarHBondContact O-N 3.02Å; L297-N300 PolarHBondContact O-N 2.98Å; L297-N300 VanDerWaalsContact O-N 3.12Å; L297-V301 HydrophobicContact CD1-CG2 3.94Å; L297-V301 HydrophobicContact CG-CG2 4.04Å; L297-V301 WeakPolarHBondContact O-CG2 2.98Å; L297-V301 PolarHBondContact O-N 2.75Å
298L97.8Very high96.8Very high6 Ų627.9 Ų27.93%0.03116%0.161CC..Hα-helixtrans-56.1-46.9-175.7177.358.2000112.4V49 I52 L54 K72 P76 T98 S296 N300 V301 E302V49-L298 HydrophobicContact CG1-CD1 4.21Å; V49-L298 HydrophobicContact CG2-CD1 4.07Å; I52-L298 HydrophobicContact CD1-CB 3.96Å; I52-L298 HydrophobicContact CD1-CD1 4.2Å; L54-L298 HydrophobicContact CD1-CB 4.06Å; L54-L298 HydrophobicContact CD1-CD2 3.93Å; L54-L298 HydrophobicContact CD2-CD2 4.03Å; K72-L298 HydrophobicContact CD-CD2 4.28Å; K72-L298 HydrophobicContact CG-CD2 3.8Å; P76-L298 HydrophobicContact CB-CD1 3.78Å; P76-L298 HydrophobicContact CB-CD2 4.11Å; T98-L298 HydrophobicContact CG2-CD2 4.22Å; S296-L298 PolarHBondContact O-N 3.15Å; L298-N300 VanDerWaalsContact C-N 3.31Å; L298-N300 PolarHBondContact O-N 3.13Å; L298-V301 PolarHBondContact O-N 2.8Å; L298-E302 WeakPolarHBondContact O-CB 3.47Å; L298-E302 PolarHBondContact O-N 3.18Å
299A95.5Very high96.5Very high54 Ų5425.7 Ų25.745%0.44615%0.15SC..Hα-helixtrans-63.2-36.9-179.700000112.4L297 T303L297-A299 VanDerWaalsContact C-N 3.35Å; L297-A299 PolarHBondContact O-N 3.02Å; A299-T303 WeakPolarHBondContact O-CB 3.42Å; A299-T303 PolarHBondContact O-N 3.06Å; A299-T303 PolarHBondContact O-OG1 2.9Å
300N96.5Very high96.2Very high62 Ų6224.5 Ų24.533%0.33215%0.147SC..Hα-helixtrans-72.7-38.9177-166.3-88.4000112.2R264 T265 A266 L297 L298 E302 T303 R304R264-N300 WeakPolarHBondContact O-CB 3.34Å; T265-N300 WeakPolarHBondContact CA-OD1 3.21Å; A266-N300 PolarHBondContact N-OD1 3.48Å; L297-N300 PolarHBondContact O-N 2.98Å; L297-N300 VanDerWaalsContact O-N 3.12Å; L298-N300 VanDerWaalsContact C-N 3.31Å; L298-N300 PolarHBondContact O-N 3.13Å; N300-E302 VanDerWaalsContact C-N 3.35Å; N300-T303 PolarHBondContact O-N 2.77Å; N300-R304 PolarHBondContact O-N 3.46Å
301V97.9Very high95.7Very high0 Ų032.4 Ų32.40%019%0.189CC..Hα-helixtrans-60.3-45.9173.4170.90000110.5L45 V49 A269 L297 L298 T303 R304 L305L45-V301 HydrophobicContact CB-CG1 4.07Å; L45-V301 HydrophobicContact CD2-CG1 4.21Å; L45-V301 HydrophobicContact CD2-CG2 4.36Å; V49-V301 HydrophobicContact CG2-CG1 3.74Å; A269-V301 HydrophobicContact CB-CG2 4.48Å; L297-V301 HydrophobicContact CD1-CG2 3.94Å; L297-V301 HydrophobicContact CG-CG2 4.04Å; L297-V301 WeakPolarHBondContact O-CG2 2.98Å; L297-V301 PolarHBondContact O-N 2.75Å; L298-V301 PolarHBondContact O-N 2.8Å; V301-T303 PolarHBondContact O-N 3.02Å; V301-R304 PolarHBondContact O-N 2.88Å; V301-L305 HydrophobicContact CG1-CD1 4.03Å; V301-L305 HydrophobicContact CG1-CG 4.42Å; V301-L305 WeakPolarHBondContact O-CB 3.33Å; V301-L305 WeakPolarHBondContact O-CG 3.27Å; V301-L305 PolarHBondContact O-N 3.43Å
302E97.2Very high95.3Very high5 Ų534.6 Ų34.62%0.02321%0.212CC..Hα-helixtrans-59.8-44.1175.4-176.6174-151.400112.1K72 L77 S78 V81 L298 N300 R304 L305 Y306 L320K72-E302 IonicContact NZ-OE1 2.56Å; K72-E302 PolarHBondContact NZ-OE1 3.28Å; K72-E302 IonicContact NZ-OE2 2.71Å; K72-E302 PolarHBondContact NZ-OE2 3.22Å; L77-E302 WeakPolarHBondContact CA-OE1 3.29Å; L77-E302 HydrophobicContact CD2-CB 3.8Å; L77-E302 HydrophobicContact CD2-CG 3.87Å; S78-E302 WeakPolarHBondContact CB-OE1 3.25Å; S78-E302 PolarHBondContact N-OE1 2.99Å; V81-E302 HydrophobicContact CG2-CG 4.47Å; L298-E302 WeakPolarHBondContact O-CB 3.47Å; L298-E302 PolarHBondContact O-N 3.18Å; N300-E302 VanDerWaalsContact C-N 3.35Å; E302-R304 VanDerWaalsContact C-N 3.32Å; E302-R304 PolarHBondContact O-N 2.91Å; E302-L305 PolarHBondContact O-N 3.11Å; E302-Y306 WeakPolarHBondContact O-CB 3.4Å; E302-Y306 PolarHBondContact O-N 2.96Å; E302-L320 HydrophobicContact CG-CD1 4Å; E302-L320 HydrophobicContact CG-CD2 4.23Å
303T96.4Very high95.1Very high40 Ų4040.2 Ų40.225%0.24524%0.241CC..Hα-helixtrans-61-40.4175.1-59.20000111.8A299 N300 V301 Y306 S307 M314 P315A299-T303 WeakPolarHBondContact O-CB 3.42Å; A299-T303 PolarHBondContact O-N 3.06Å; A299-T303 PolarHBondContact O-OG1 2.9Å; N300-T303 PolarHBondContact O-N 2.77Å; V301-T303 PolarHBondContact O-N 3.02Å; T303-Y306 WeakPolarHBondContact O-CB 3.3Å; T303-Y306 PolarHBondContact O-N 3.48Å; T303-S307 PolarHBondContact O-N 2.67Å; T303-M314 HydrophobicContact CG2-SD 4.14Å; T303-P315 HydrophobicContact CG2-CG 4.14Å
304R96.8Very high94.9Very high85 Ų8545.1 Ų45.132%0.32126%0.264SS..Hα-helixtrans-68.4-43.7177.3-179.757.3176158.52.1111.5E41 L45 A266 N300 V301 E302 Y306 S307 L308E41-R304 VanDerWaalsContact CD-NH2 3.31Å; E41-R304 IonicContact OE1-CZ 3.93Å; E41-R304 VanDerWaalsContact OE1-CZ 3.29Å; E41-R304 IonicContact OE1-NE 2.82Å; E41-R304 PolarHBondContact OE1-NE 3.46Å; E41-R304 IonicContact OE1-NH2 3.77Å; E41-R304 PolarHBondContact OE1-NH2 2.97Å; E41-R304 IonicContact OE2-CZ 2.93Å; E41-R304 IonicContact OE2-NE 2.76Å; E41-R304 IonicContact OE2-NH2 3.06Å; E41-R304 PolarHBondContact OE2-NH2 3.37Å; L45-R304 HydrophobicContact CD1-CB 4.11Å; L45-R304 HydrophobicContact CD1-CG 3.5Å; A266-R304 HydrophobicContact CB-CB 3.54Å; A266-R304 HydrophobicContact CB-CG 3.66Å; N300-R304 PolarHBondContact O-N 3.46Å; V301-R304 PolarHBondContact O-N 2.88Å; E302-R304 VanDerWaalsContact C-N 3.32Å; E302-R304 PolarHBondContact O-N 2.91Å; R304-Y306 VanDerWaalsContact C-N 3.32Å; R304-Y306 PolarHBondContact O-N 3.32Å; R304-S307 WeakPolarHBondContact O-CB 3.36Å; R304-S307 PolarHBondContact O-N 2.8Å; R304-S307 VanDerWaalsContact O-N 3.15Å; R304-L308 HydrophobicContact CG-CD1 4.21Å; R304-L308 HydrophobicContact CG-CG 4.46Å; R304-L308 VanDerWaalsContact CZ-CD2 3.47Å; R304-L308 WeakPolarHBondContact O-CG 3.31Å; R304-L308 PolarHBondContact O-N 3.16Å
305L96.8Very high94.7Very high0 Ų046.2 Ų46.20%027%0.27CS..Hα-helixtrans-58.3-45174.4-77.1172.9000111.2V42 L45 L46 L77 V81 I85 V301 E302 S307 L308 C309V42-L305 HydrophobicContact CB-CD2 4.48Å; V42-L305 HydrophobicContact CG1-CD2 4.13Å; V42-L305 HydrophobicContact CG2-CD2 4.43Å; L45-L305 HydrophobicContact CB-CD1 4.47Å; L45-L305 HydrophobicContact CB-CD2 3.74Å; L45-L305 HydrophobicContact CB-CG 4.06Å; L45-L305 HydrophobicContact CD1-CD2 4.17Å; L45-L305 HydrophobicContact CD1-CG 4.32Å; L46-L305 HydrophobicContact CD2-CD1 4.09Å; L46-L305 HydrophobicContact CG-CD2 4.38Å; L77-L305 HydrophobicContact CD1-CD1 3.76Å; L77-L305 HydrophobicContact CD2-CD1 3.98Å; V81-L305 HydrophobicContact CG1-CB 4.03Å; I85-L305 HydrophobicContact CD1-CB 4.19Å; I85-L305 HydrophobicContact CD1-CD1 4.34Å; I85-L305 HydrophobicContact CD1-CD2 4.03Å; I85-L305 HydrophobicContact CD1-CG 4.43Å; V301-L305 HydrophobicContact CG1-CD1 4.03Å; V301-L305 HydrophobicContact CG1-CG 4.42Å; V301-L305 WeakPolarHBondContact O-CB 3.33Å; V301-L305 WeakPolarHBondContact O-CG 3.27Å; V301-L305 PolarHBondContact O-N 3.43Å; E302-L305 PolarHBondContact O-N 3.11Å; L305-S307 VanDerWaalsContact C-N 3.34Å; L305-S307 PolarHBondContact O-N 3.19Å; L305-L308 PolarHBondContact O-N 3.07Å; L305-C309 PolarHBondContact O-N 3.37Å; L305-C309 VanDerWaalsContact O-N 3.16Å; L305-C309 PolarHBondContact O-SG 3.29Å
306Y95.7Very high94.5Very high14 Ų1447.7 Ų47.76%0.05527%0.27CS..Hα-helixtrans-54.4-52.2172.5-178.7-79.7000110.6V81 E302 T303 R304 L308 C309 H310 L313 P315 E319 L320V81-Y306 HydrophobicContact CG2-CD2 3.88Å; V81-Y306 HydrophobicContact CG2-CG 4.42Å; E302-Y306 WeakPolarHBondContact O-CB 3.4Å; E302-Y306 PolarHBondContact O-N 2.96Å; T303-Y306 WeakPolarHBondContact O-CB 3.3Å; T303-Y306 PolarHBondContact O-N 3.48Å; R304-Y306 VanDerWaalsContact C-N 3.32Å; R304-Y306 PolarHBondContact O-N 3.32Å; Y306-L308 PolarHBondContact O-N 2.84Å; Y306-C309 CarbonylContact O-C 3.6Å; Y306-C309 PolarHBondContact O-N 3.01Å; Y306-C309 VanDerWaalsContact O-N 3.08Å; Y306-H310 HydrophobicContact CD1-CB 4.24Å; Y306-H310 AromaticContact CD1-ND1 3.71Å; Y306-H310 AromaticContact CD2-CE1 3.65Å; Y306-H310 AromaticContact CD2-ND1 3.66Å; Y306-H310 HydrophobicContact CE1-CB 3.82Å; Y306-H310 AromaticContact CE1-CG 3.67Å; Y306-H310 AromaticContact CE1-ND1 3.66Å; Y306-H310 AromaticContact CE2-CE1 3.49Å; Y306-H310 VanDerWaalsContact CE2-CE1 3.49Å; Y306-H310 WeakPolarHBondContact CE2-CE1 3.34Å; Y306-H310 AromaticContact CE2-ND1 3.66Å; Y306-H310 AromaticContact CE2-NE2 3.96Å; Y306-H310 AromaticContact CG-ND1 3.69Å; Y306-H310 AromaticContact CZ-CD2 3.92Å; Y306-H310 AromaticContact CZ-CE1 3.82Å; Y306-H310 AromaticContact CZ-CG 3.7Å; Y306-H310 AromaticContact CZ-ND1 3.64Å; Y306-H310 WeakPolarHBondContact O-CB 3.26Å; Y306-H310 PolarHBondContact O-N 3.08Å; Y306-H310 PolarHBondContact O-ND1 3.18Å; Y306-L313 WeakPolarHBondContact CD1-O 3.36Å; Y306-P315 HydrophobicContact CD1-CB 4.05Å; Y306-P315 HydrophobicContact CD1-CG 4.36Å; Y306-P315 HydrophobicContact CD2-CB 4.16Å; Y306-P315 HydrophobicContact CE1-CB 4.12Å; Y306-P315 HydrophobicContact CE2-CB 4.19Å; Y306-P315 HydrophobicContact CG-CB 4.09Å; Y306-P315 HydrophobicContact CG-CG 4.47Å; Y306-E319 VanDerWaalsContact CE2-CD 3.49Å; Y306-E319 HydrophobicContact CE2-CG 4.15Å; Y306-E319 VanDerWaalsContact CE2-OE1 3.31Å; Y306-E319 WeakPolarHBondContact CE2-OE1 3.37Å; Y306-E319 PolarHBondContact OH-OE1 3.17Å; Y306-E319 PolarHBondContact OH-OE2 2.85Å; Y306-L320 HydrophobicContact CD2-CD2 3.92Å; Y306-L320 HydrophobicContact CG-CD2 4.49Å
307S95.5Very high94.3Very high5 Ų551.5 Ų51.54%0.03529%0.293CS..Hα-helixtrans-58.7-44.2-178.5-176.70000113.3T303 R304 L305 C309 H310 N311 G312 L313 M314T303-S307 PolarHBondContact O-N 2.67Å; R304-S307 WeakPolarHBondContact O-CB 3.36Å; R304-S307 PolarHBondContact O-N 2.8Å; R304-S307 VanDerWaalsContact O-N 3.15Å; L305-S307 VanDerWaalsContact C-N 3.34Å; L305-S307 PolarHBondContact O-N 3.19Å; S307-C309 PolarHBondContact O-N 3.29Å; S307-H310 CarbonylContact O-C 3.53Å; S307-H310 PolarHBondContact O-N 3.38Å; S307-N311 PolarHBondContact O-N 3.26Å; S307-G312 WeakPolarHBondContact O-CA 3.31Å; S307-G312 PolarHBondContact O-N 3.46Å; S307-G312 WeakPolarHBondContact OG-CA 3.49Å; S307-G312 PolarHBondContact OG-O 3.25Å; S307-L313 VanDerWaalsContact CA-O 3.26Å; S307-L313 WeakPolarHBondContact CA-O 3.13Å; S307-M314 VanDerWaalsContact CB-CE 3.42Å; S307-M314 WeakPolarHBondContact OG-CE 3.42Å
308L93.9Very high93.7Very high25 Ų2553.5 Ų53.513%0.13131%0.314CS..Hα-helixtrans-61.2-33.6177.4-70.3174.5000112.1T38 E41 V42 L45 R304 L305 Y306T38-L308 HydrophobicContact CG2-CD2 4.09Å; E41-L308 HydrophobicContact CB-CD1 4.28Å; E41-L308 HydrophobicContact CG-CD1 3.97Å; V42-L308 HydrophobicContact CG2-CB 3.99Å; V42-L308 HydrophobicContact CG2-CD1 3.7Å; V42-L308 HydrophobicContact CG2-CG 4.46Å; L45-L308 HydrophobicContact CD1-CD1 3.91Å; R304-L308 HydrophobicContact CG-CD1 4.21Å; R304-L308 HydrophobicContact CG-CG 4.46Å; R304-L308 VanDerWaalsContact CZ-CD2 3.47Å; R304-L308 WeakPolarHBondContact O-CG 3.31Å; R304-L308 PolarHBondContact O-N 3.16Å; L305-L308 PolarHBondContact O-N 3.07Å; Y306-L308 PolarHBondContact O-N 2.84Å
309C90.4Very high93.2Very high14 Ų1456.3 Ų56.310%0.09533%0.327CS..Hα-helixtrans-89.5-10.1-178.9-58.30000114.5K84 I85 L305 Y306 S307K84-C309 HydrophobicContact CB-CB 4.32Å; K84-C309 WeakPolarHBondContact CE-O 3.5Å; K84-C309 HydrophobicContact CG-CB 3.58Å; I85-C309 WeakPolarHBondContact CG1-SG 3.43Å; L305-C309 PolarHBondContact O-N 3.37Å; L305-C309 VanDerWaalsContact O-N 3.16Å; L305-C309 PolarHBondContact O-SG 3.29Å; Y306-C309 CarbonylContact O-C 3.6Å; Y306-C309 PolarHBondContact O-N 3.01Å; Y306-C309 VanDerWaalsContact O-N 3.08Å; S307-C309 PolarHBondContact O-N 3.29Å
310H90.6Very high93Very high40 Ų4055 Ų5519%0.18531%0.312CS..THydrogen-bonded Turntrans-121.235.4-177.8-63.486.4000112.1Y306 S307 G312 L313Y306-H310 HydrophobicContact CD1-CB 4.24Å; Y306-H310 AromaticContact CD1-ND1 3.71Å; Y306-H310 AromaticContact CD2-CE1 3.65Å; Y306-H310 AromaticContact CD2-ND1 3.66Å; Y306-H310 HydrophobicContact CE1-CB 3.82Å; Y306-H310 AromaticContact CE1-CG 3.67Å; Y306-H310 AromaticContact CE1-ND1 3.66Å; Y306-H310 AromaticContact CE2-CE1 3.49Å; Y306-H310 VanDerWaalsContact CE2-CE1 3.49Å; Y306-H310 WeakPolarHBondContact CE2-CE1 3.34Å; Y306-H310 AromaticContact CE2-ND1 3.66Å; Y306-H310 AromaticContact CE2-NE2 3.96Å; Y306-H310 AromaticContact CG-ND1 3.69Å; Y306-H310 AromaticContact CZ-CD2 3.92Å; Y306-H310 AromaticContact CZ-CE1 3.82Å; Y306-H310 AromaticContact CZ-CG 3.7Å; Y306-H310 AromaticContact CZ-ND1 3.64Å; Y306-H310 WeakPolarHBondContact O-CB 3.26Å; Y306-H310 PolarHBondContact O-N 3.08Å; Y306-H310 PolarHBondContact O-ND1 3.18Å; S307-H310 CarbonylContact O-C 3.53Å; S307-H310 PolarHBondContact O-N 3.38Å; H310-G312 PolarHBondContact O-N 2.81Å; H310-G312 VanDerWaalsContact O-N 3.16Å; H310-L313 HydrophobicContact CB-CB 4.16Å; H310-L313 WeakPolarHBondContact O-CB 3.46Å; H310-L313 VanDerWaalsContact O-CG 3.3Å; H310-L313 WeakPolarHBondContact O-CG 3.41Å; H310-L313 PolarHBondContact O-N 3.36Å
311N89.1Confident92.4Very high166 Ų16657.4 Ų57.489%0.88833%0.325SS*.THydrogen-bonded Turntrans53.836.8175.5-59.3-37000113.7S307S307-N311 PolarHBondContact O-N 3.26Å
312G91.5Very high90.9Very high47 Ų4760.7 Ų60.749%0.48534%0.339SS..THydrogen-bonded Turntrans90-5.2178.800000115.3S307 H310 M314S307-G312 WeakPolarHBondContact O-CA 3.31Å; S307-G312 PolarHBondContact O-N 3.46Å; S307-G312 WeakPolarHBondContact OG-CA 3.49Å; S307-G312 PolarHBondContact OG-O 3.25Å; H310-G312 PolarHBondContact O-N 2.81Å; H310-G312 VanDerWaalsContact O-N 3.16Å; G312-M314 WeakPolarHBondContact O-CE 3.23Å
313L93.4Very high88.8Confident117 Ų11772.3 Ų72.361%0.61339%0.39SS*.PPolyproline II helixtrans-65147.5178-65.4172.8000111.9Y306 S307 H310Y306-L313 WeakPolarHBondContact CD1-O 3.36Å; S307-L313 VanDerWaalsContact CA-O 3.26Å; S307-L313 WeakPolarHBondContact CA-O 3.13Å; H310-L313 HydrophobicContact CB-CB 4.16Å; H310-L313 WeakPolarHBondContact O-CB 3.46Å; H310-L313 VanDerWaalsContact O-CG 3.3Å; H310-L313 WeakPolarHBondContact O-CG 3.41Å; H310-L313 PolarHBondContact O-N 3.36Å
314M94Very high88.5Confident111 Ų11173.9 Ų73.955%0.54740%0.397SS..PPolyproline II helixtrans-89.5148.1171.8-66.6-6310200110T303 S307 G312T303-M314 HydrophobicContact CG2-SD 4.14Å; S307-M314 VanDerWaalsContact CB-CE 3.42Å; S307-M314 WeakPolarHBondContact OG-CE 3.42Å; G312-M314 WeakPolarHBondContact O-CE 3.23Å
315P92.8Very high88Confident29 Ų2973.3 Ų73.319%0.18840%0.402CS..PPolyproline II helixtrans-63.1144.3174.628.7-35.5000110.6T303 Y306 E319 L320T303-P315 HydrophobicContact CG2-CG 4.14Å; Y306-P315 HydrophobicContact CD1-CB 4.05Å; Y306-P315 HydrophobicContact CD1-CG 4.36Å; Y306-P315 HydrophobicContact CD2-CB 4.16Å; Y306-P315 HydrophobicContact CE1-CB 4.12Å; Y306-P315 HydrophobicContact CE2-CB 4.19Å; Y306-P315 HydrophobicContact CG-CB 4.09Å; Y306-P315 HydrophobicContact CG-CG 4.47Å; P315-E319 VanDerWaalsContact CA-OE2 3.3Å; P315-E319 WeakPolarHBondContact CA-OE2 3.2Å; P315-E319 HydrophobicContact CB-CB 4.27Å; P315-L320 HydrophobicContact CB-CD1 4Å; P315-L320 HydrophobicContact CB-CD2 4.25Å; P315-L320 HydrophobicContact CB-CG 3.78Å; P315-L320 HydrophobicContact CG-CD1 3.66Å; P315-L320 HydrophobicContact CG-CG 4.03Å
316L91.7Very high87.5Confident126 Ų12677.4 Ų77.466%0.6642%0.424SS*.PPolyproline II helixtrans-70.8156.8169.9-64177000110.5G318 E319L316-G318 PolarHBondContact O-N 2.82Å; L316-E319 HydrophobicContact CB-CB 4.4Å; L316-E319 PolarHBondContact N-OE2 3.19Å; L316-E319 VanDerWaalsContact O-CB 3.24Å; L316-E319 WeakPolarHBondContact O-CB 3.46Å; L316-E319 PolarHBondContact O-N 2.95Å
317P88.4Confident87.1Confident135 Ų13581.1 Ų81.188%0.87745%0.446SS*.THydrogen-bonded Turntrans-53128.3172.8-25.434.7000111.4E319P317-E319 VanDerWaalsContact C-N 3.32Å; P317-E319 PolarHBondContact O-N 3.35Å
318G86.2Confident86.5Confident42 Ų4285.9 Ų85.943%0.43347%0.471SS..THydrogen-bonded Turntrans85-10.2-178.500000115.7L316 L320 D321L316-G318 PolarHBondContact O-N 2.82Å; G318-L320 VanDerWaalsContact C-N 3.27Å; G318-L320 PolarHBondContact O-N 2.76Å; G318-D321 WeakPolarHBondContact CA-OD2 3.49Å; G318-D321 PolarHBondContact O-N 3.31Å
319E87.8Confident86Confident66 Ų6689.9 Ų89.931%0.30849%0.494SS..THydrogen-bonded Turntrans-70.7-23.2-175.7-167.4174-172.200113.6C80 Y306 P315 L316 P317C80-E319 PolarHBondContact SG-O 2.96Å; Y306-E319 VanDerWaalsContact CE2-CD 3.49Å; Y306-E319 HydrophobicContact CE2-CG 4.15Å; Y306-E319 VanDerWaalsContact CE2-OE1 3.31Å; Y306-E319 WeakPolarHBondContact CE2-OE1 3.37Å; Y306-E319 PolarHBondContact OH-OE1 3.17Å; Y306-E319 PolarHBondContact OH-OE2 2.85Å; P315-E319 VanDerWaalsContact CA-OE2 3.3Å; P315-E319 WeakPolarHBondContact CA-OE2 3.2Å; P315-E319 HydrophobicContact CB-CB 4.27Å; L316-E319 HydrophobicContact CB-CB 4.4Å; L316-E319 PolarHBondContact N-OE2 3.19Å; L316-E319 VanDerWaalsContact O-CB 3.24Å; L316-E319 WeakPolarHBondContact O-CB 3.46Å; L316-E319 PolarHBondContact O-N 2.95Å; P317-E319 VanDerWaalsContact C-N 3.32Å; P317-E319 PolarHBondContact O-N 3.35Å
320L90.6Very high85.7Confident26 Ų2695.4 Ų95.414%0.13652%0.522CS..THydrogen-bonded Turntrans-1034.6175.3-58.7-175.7000113.1V81 E302 Y306 P315 G318 F322V81-L320 HydrophobicContact CG2-CD2 3.68Å; E302-L320 HydrophobicContact CG-CD1 4Å; E302-L320 HydrophobicContact CG-CD2 4.23Å; Y306-L320 HydrophobicContact CD2-CD2 3.92Å; Y306-L320 HydrophobicContact CG-CD2 4.49Å; P315-L320 HydrophobicContact CB-CD1 4Å; P315-L320 HydrophobicContact CB-CD2 4.25Å; P315-L320 HydrophobicContact CB-CG 3.78Å; P315-L320 HydrophobicContact CG-CD1 3.66Å; P315-L320 HydrophobicContact CG-CG 4.03Å; G318-L320 VanDerWaalsContact C-N 3.27Å; G318-L320 PolarHBondContact O-N 2.76Å; L320-F322 PolarHBondContact O-N 3.05Å
321D83.1Confident85.3Confident113 Ų11399.6 Ų99.660%0.60455%0.548SS*.  trans-69.7135.9-178.4-73.1-8.2000110G318 F323G318-D321 WeakPolarHBondContact CA-OD2 3.49Å; G318-D321 PolarHBondContact O-N 3.31Å; D321-F323 PolarHBondContact O-N 3.16Å
322F66.2Low85Confident68 Ų6894.1 Ų94.130%0.29852%0.52SS..  trans-80.198.6169.2-106-97.4000107.1K72 H75 L77 L320K72-F322 HydrophobicContact CD-CD2 4.01Å; K72-F322 HydrophobicContact CD-CE2 4.19Å; H75-F322 HydrophobicContact CB-CE1 3.37Å; H75-F322 HydrophobicContact CB-CZ 3.39Å; H75-F322 WeakPolarHBondContact O-CE2 3.5Å; H75-F322 WeakPolarHBondContact O-CZ 3.3Å; L77-F322 WeakPolarHBondContact O-CE2 3.18Å; L77-F322 VanDerWaalsContact O-CZ 3.3Å; L77-F322 WeakPolarHBondContact O-CZ 3.21Å; L320-F322 PolarHBondContact O-N 3.05Å
323F54.6Low84.4Confident249 Ų24998.4 Ų98.4100%1.09252%0.523SS*.  trans85.60-175.6-49.4-71.9000116.5D321D321-F323 PolarHBondContact O-N 3.16Å

Retrieved 323 of 323 residues in 99 ms (Link to these results)

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