A0A3Q0KF84_SCHMA Loading...

Putative myosin light chain 1

AlphaFold DB , UniProt , Accession A0A3Q0KF84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 156 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
1M59.1Low88.5Confident243 Ų24393.9 Ų93.9100%1.19751%0.506SS*.  01350-75.8-145.1-112.900107
2S74.5Confident89.2Confident52 Ų5286.4 Ų86.436%0.36447%0.465SS..  trans-56.5144.3178.7171.20000110.8L4 E74S2-L4 WeakPolarHBondContact OG-CB 3.4Å; S2-L4 PolarHBondContact OG-N 2.84Å; S2-L4 VanDerWaalsContact OG-N 3.07Å; S2-E74 WeakPolarHBondContact CA-OE1 3.14Å; S2-E74 WeakPolarHBondContact CB-OE1 3.3Å; S2-E74 PolarHBondContact OG-OE1 3.45Å
3S85.4Confident89.7Confident82 Ų8289.3 Ų89.357%0.57347%0.466SS*.SBendtrans-80-9.3170.950.70000112.8E74S3-E74 PolarHBondContact N-OE1 3.3Å
4L91.1Very high90.2Very high16 Ų1692.9 Ų92.98%0.08448%0.479CS..SBendtrans-82.9142.6-179-55.2168.4000110.5S2 E8 I9 I12 Y73 E74 L77S2-L4 WeakPolarHBondContact OG-CB 3.4Å; S2-L4 PolarHBondContact OG-N 2.84Å; S2-L4 VanDerWaalsContact OG-N 3.07Å; L4-E8 HydrophobicContact CB-CB 4.19Å; L4-E8 HydrophobicContact CD2-CB 4.47Å; L4-I9 HydrophobicContact CB-CD1 4.29Å; L4-I9 HydrophobicContact CB-CG1 3.84Å; L4-I9 HydrophobicContact CD1-CG1 4.35Å; L4-I12 HydrophobicContact CD1-CD1 3.67Å; L4-Y73 HydrophobicContact CD1-CD1 4.03Å; L4-Y73 HydrophobicContact CD1-CE1 4.27Å; L4-Y73 HydrophobicContact CD2-CE1 4.34Å; L4-E74 HydrophobicContact CD1-CG 3.84Å; L4-E74 HydrophobicContact CG-CG 4.15Å; L4-L77 HydrophobicContact CD2-CD2 3.65Å
5S93.3Very high90.7Very high56 Ų5688.3 Ų88.339%0.39246%0.457SS..  trans-67.9161.516969.10000111A7 E8 I9S5-A7 VanDerWaalsContact C-N 3.26Å; S5-A7 PolarHBondContact O-N 2.7Å; S5-E8 VanDerWaalsContact CB-OE2 3.27Å; S5-E8 WeakPolarHBondContact CB-OE2 3.28Å; S5-E8 PolarHBondContact N-OE2 2.65Å; S5-E8 PolarHBondContact O-N 2.89Å; S5-E8 WeakPolarHBondContact OG-CG 3.3Å; S5-E8 PolarHBondContact OG-N 3.12Å; S5-E8 PolarHBondContact OG-OE2 2.93Å; S5-I9 WeakPolarHBondContact O-CG1 3.1Å; S5-I9 PolarHBondContact O-N 3.2Å
6K94.3Very high91.1Very high173 Ų17382.9 Ų82.975%0.75243%0.429SS*.Hα-helixtrans-59.1-39.3176.4-68.7-175.5177.8-176.20112.3I9 E10K6-I9 PolarHBondContact O-N 2.87Å; K6-E10 WeakPolarHBondContact O-CG 3.39Å; K6-E10 PolarHBondContact O-N 3.25Å
7A94.9Very high91.4Very high54 Ų5482.2 Ų82.245%0.44643%0.426SS..Hα-helixtrans-63.5-44.7177.700000111.4S5 I9 E10 D11S5-A7 VanDerWaalsContact C-N 3.26Å; S5-A7 PolarHBondContact O-N 2.7Å; A7-I9 VanDerWaalsContact C-N 3.32Å; A7-I9 PolarHBondContact O-N 3.09Å; A7-E10 WeakPolarHBondContact O-CB 3.5Å; A7-E10 PolarHBondContact O-N 3.22Å; A7-E10 VanDerWaalsContact O-N 3.16Å; A7-D11 PolarHBondContact O-N 3.19Å
8E94Very high91.7Very high86 Ų8682.8 Ų82.840%0.40243%0.429SS..Hα-helixtrans-62-39.9175.5-72.6162.6131.600111.8L4 S5 E10 D11 I12L4-E8 HydrophobicContact CB-CB 4.19Å; L4-E8 HydrophobicContact CD2-CB 4.47Å; S5-E8 VanDerWaalsContact CB-OE2 3.27Å; S5-E8 WeakPolarHBondContact CB-OE2 3.28Å; S5-E8 PolarHBondContact N-OE2 2.65Å; S5-E8 PolarHBondContact O-N 2.89Å; S5-E8 WeakPolarHBondContact OG-CG 3.3Å; S5-E8 PolarHBondContact OG-N 3.12Å; S5-E8 PolarHBondContact OG-OE2 2.93Å; E8-E10 VanDerWaalsContact C-N 3.32Å; E8-E10 PolarHBondContact O-N 3.05Å; E8-D11 PolarHBondContact O-N 2.9Å; E8-I12 VanDerWaalsContact O-CD1 3.25Å; E8-I12 WeakPolarHBondContact O-CD1 3.46Å; E8-I12 WeakPolarHBondContact O-CG1 3.36Å; E8-I12 PolarHBondContact O-N 3.19Å
9I95.8Very high91.9Very high45 Ų4580.2 Ų80.223%0.23141%0.414CS..Hα-helixtrans-64.8-38.7176.1-65.4168.9000111.1L4 S5 K6 A7 R13 F66 L70L4-I9 HydrophobicContact CB-CD1 4.29Å; L4-I9 HydrophobicContact CB-CG1 3.84Å; L4-I9 HydrophobicContact CD1-CG1 4.35Å; S5-I9 WeakPolarHBondContact O-CG1 3.1Å; S5-I9 PolarHBondContact O-N 3.2Å; K6-I9 PolarHBondContact O-N 2.87Å; A7-I9 VanDerWaalsContact C-N 3.32Å; A7-I9 PolarHBondContact O-N 3.09Å; I9-R13 WeakPolarHBondContact O-CB 3.31Å; I9-R13 PolarHBondContact O-N 3.33Å; I9-F66 HydrophobicContact CG2-CE1 3.88Å; I9-F66 HydrophobicContact CG2-CZ 3.9Å; I9-L70 HydrophobicContact CG2-CD1 4.41Å
10E96.2Very high92.2Very high126 Ų12676.8 Ų76.859%0.58940%0.397SS*.Hα-helixtrans-64-47.3175-74.8168.2-171.600111.1K6 A7 E8 I12 R13 E14K6-E10 WeakPolarHBondContact O-CG 3.39Å; K6-E10 PolarHBondContact O-N 3.25Å; A7-E10 WeakPolarHBondContact O-CB 3.5Å; A7-E10 PolarHBondContact O-N 3.22Å; A7-E10 VanDerWaalsContact O-N 3.16Å; E8-E10 VanDerWaalsContact C-N 3.32Å; E8-E10 PolarHBondContact O-N 3.05Å; E10-I12 PolarHBondContact O-N 3.44Å; E10-R13 WeakPolarHBondContact O-CA 3.4Å; E10-R13 WeakPolarHBondContact O-CB 3.46Å; E10-R13 PolarHBondContact O-N 2.94Å; E10-R13 VanDerWaalsContact O-N 3.08Å; E10-E14 PolarHBondContact O-N 3.18Å
11D95.4Very high92.3Very high100 Ų10078.6 Ų78.654%0.53540%0.402SS..Hα-helixtrans-59.1-45.6176.5-68.5-18.4000111.7A7 E8 R13 E14 V15A7-D11 PolarHBondContact O-N 3.19Å; E8-D11 PolarHBondContact O-N 2.9Å; D11-R13 VanDerWaalsContact C-N 3.25Å; D11-R13 PolarHBondContact O-N 3.19Å; D11-E14 PolarHBondContact O-N 2.89Å; D11-V15 PolarHBondContact O-N 3.44Å
12I95.9Very high93.8Very high4 Ų476.5 Ų76.52%0.02138%0.381CS..Hα-helixtrans-63.8-35.8177.4-62.8159.1000110.4L4 E8 E10 V15 F16 F66 F69 L70 Y73L4-I12 HydrophobicContact CD1-CD1 3.67Å; E8-I12 VanDerWaalsContact O-CD1 3.25Å; E8-I12 WeakPolarHBondContact O-CD1 3.46Å; E8-I12 WeakPolarHBondContact O-CG1 3.36Å; E8-I12 PolarHBondContact O-N 3.19Å; E10-I12 PolarHBondContact O-N 3.44Å; I12-V15 PolarHBondContact O-N 3.48Å; I12-F16 WeakPolarHBondContact O-CB 3.06Å; I12-F16 PolarHBondContact O-N 2.94Å; I12-F66 HydrophobicContact CG2-CE2 4.05Å; I12-F69 HydrophobicContact CG2-CE1 3.89Å; I12-L70 HydrophobicContact CG2-CD2 4.39Å; I12-Y73 HydrophobicContact CD1-CD1 3.75Å; I12-Y73 HydrophobicContact CD1-CD2 4.21Å; I12-Y73 HydrophobicContact CD1-CE1 3.36Å; I12-Y73 HydrophobicContact CD1-CE2 3.86Å; I12-Y73 HydrophobicContact CD1-CG 4.17Å; I12-Y73 VanDerWaalsContact CD1-CZ 3.42Å; I12-Y73 HydrophobicContact CG1-CD2 4.31Å; I12-Y73 HydrophobicContact CG1-CE1 4.09Å; I12-Y73 HydrophobicContact CG1-CE2 3.72Å; I12-Y73 HydrophobicContact CG2-CD2 3.98Å; I12-Y73 HydrophobicContact CG2-CE2 4.07Å
13R96.7Very high94.2Very high124 Ų12476.1 Ų76.147%0.46838%0.375SS..Hα-helixtrans-67.5-39.1177.6-173.8158.8-176152.74.5112.3I9 E10 D11 V15 F16 D17 F66I9-R13 WeakPolarHBondContact O-CB 3.31Å; I9-R13 PolarHBondContact O-N 3.33Å; E10-R13 WeakPolarHBondContact O-CA 3.4Å; E10-R13 WeakPolarHBondContact O-CB 3.46Å; E10-R13 PolarHBondContact O-N 2.94Å; E10-R13 VanDerWaalsContact O-N 3.08Å; D11-R13 VanDerWaalsContact C-N 3.25Å; D11-R13 PolarHBondContact O-N 3.19Å; R13-V15 VanDerWaalsContact C-N 3.29Å; R13-V15 PolarHBondContact O-N 2.75Å; R13-F16 PolarHBondContact O-N 3.27Å; R13-D17 IonicContact NE-OD2 3.99Å; R13-D17 WeakPolarHBondContact O-CB 3.35Å; R13-D17 PolarHBondContact O-N 3.02Å; R13-F66 VanDerWaalsContact CA-CE2 3.43Å; R13-F66 HydrophobicContact CB-CD2 4.35Å; R13-F66 HydrophobicContact CB-CE1 4.28Å; R13-F66 HydrophobicContact CB-CE2 3.65Å; R13-F66 HydrophobicContact CB-CZ 3.61Å; R13-F66 HydrophobicContact CG-CD2 4.33Å; R13-F66 HydrophobicContact CG-CE2 4.12Å; R13-F66 HydrophobicContact CG-CZ 4.22Å
14E96.6Very high94.3Very high140 Ų14075 Ų7565%0.65438%0.376SS*.Hα-helixtrans-60-41.7174.8-68.9-173.4177.400111.6E10 D11 L18E10-E14 PolarHBondContact O-N 3.18Å; D11-E14 PolarHBondContact O-N 2.89Å; E14-L18 PolarHBondContact O-N 2.87Å; E14-L18 VanDerWaalsContact O-N 3.09Å
15V96.8Very high94.3Very high24 Ų2483.1 Ų83.115%0.14541%0.406CS..Hα-helixtrans-66.2-45.2174.2-172.50000110.6D11 I12 R13 D17 L18 F19 L37 C40D11-V15 PolarHBondContact O-N 3.44Å; I12-V15 PolarHBondContact O-N 3.48Å; R13-V15 VanDerWaalsContact C-N 3.29Å; R13-V15 PolarHBondContact O-N 2.75Å; V15-D17 PolarHBondContact O-N 3.44Å; V15-L18 WeakPolarHBondContact O-CB 3.49Å; V15-L18 PolarHBondContact O-N 3.06Å; V15-F19 HydrophobicContact CG1-CD2 3.98Å; V15-F19 HydrophobicContact CG1-CE2 3.84Å; V15-F19 WeakPolarHBondContact O-CD2 3.37Å; V15-F19 PolarHBondContact O-N 2.78Å; V15-F19 VanDerWaalsContact O-N 3.13Å; V15-L37 HydrophobicContact CG1-CD2 4.36Å; V15-L37 HydrophobicContact CG1-CG 3.9Å; V15-C40 HydrophobicContact CG1-CB 3.55Å
16F97.5Very high94.4Very high2 Ų284.7 Ų84.71%0.00941%0.41CS..Hα-helixtrans-56.6-48.5177.2-176-79.2000112I12 R13 L18 F19 D20 I29 L37 Y64 F66 F69I12-F16 WeakPolarHBondContact O-CB 3.06Å; I12-F16 PolarHBondContact O-N 2.94Å; R13-F16 PolarHBondContact O-N 3.27Å; F16-L18 VanDerWaalsContact C-N 3.27Å; F16-L18 PolarHBondContact O-N 3.34Å; F16-F19 PolarHBondContact O-N 3.12Å; F16-F19 VanDerWaalsContact O-N 3.09Å; F16-D20 HydrophobicContact CE1-CB 4.41Å; F16-D20 PolarHBondContact O-N 2.98Å; F16-I29 HydrophobicContact CD1-CG2 4.31Å; F16-I29 HydrophobicContact CD2-CD1 3.67Å; F16-I29 HydrophobicContact CD2-CG1 4.17Å; F16-I29 HydrophobicContact CD2-CG2 4.12Å; F16-I29 HydrophobicContact CE1-CG2 4.04Å; F16-I29 HydrophobicContact CE2-CB 4.27Å; F16-I29 HydrophobicContact CE2-CD1 3.54Å; F16-I29 HydrophobicContact CE2-CG1 3.55Å; F16-I29 HydrophobicContact CE2-CG2 3.87Å; F16-I29 HydrophobicContact CG-CG2 4.33Å; F16-I29 HydrophobicContact CZ-CB 4.38Å; F16-I29 HydrophobicContact CZ-CD1 4.45Å; F16-I29 HydrophobicContact CZ-CG1 4.05Å; F16-I29 HydrophobicContact CZ-CG2 3.8Å; F16-L37 HydrophobicContact CB-CD1 4.23Å; F16-L37 HydrophobicContact CD2-CD1 4.03Å; F16-Y64 WeakPolarHBondContact CZ-O 3.29Å; F16-F66 HydrophobicContact CB-CD2 3.79Å; F16-F66 HydrophobicContact CB-CE2 4.16Å; F16-F66 HydrophobicContact CD1-CB 4.29Å; F16-F66 HydrophobicContact CD1-CD2 4.19Å; F16-F66 HydrophobicContact CD2-CB 4.44Å; F16-F66 AromaticContact CD2-CD2 3.84Å; F16-F66 HydrophobicContact CD2-CD2 3.84Å; F16-F66 HydrophobicContact CE1-CB 4.18Å; F16-F66 HydrophobicContact CE2-CB 4.31Å; F16-F66 HydrophobicContact CE2-CD2 4.48Å; F16-F66 HydrophobicContact CG-CB 4.44Å; F16-F66 AromaticContact CG-CD2 3.68Å; F16-F66 HydrophobicContact CG-CD2 3.68Å; F16-F66 HydrophobicContact CZ-CB 4.19Å; F16-F66 VanDerWaalsContact CZ-N 3.34Å; F16-F69 HydrophobicContact CD2-CD1 4.08Å; F16-F69 HydrophobicContact CD2-CG 4.41Å; F16-F69 HydrophobicContact CE2-CB 4.18Å; F16-F69 HydrophobicContact CE2-CG 4.48Å
17D96.8Very high94.4Very high71 Ų7178 Ų7838%0.3839%0.39SS..Hα-helixtrans-65.1-31.1-179.1-71.4-10.5000111.5R13 V15 F21R13-D17 IonicContact NE-OD2 3.99Å; R13-D17 WeakPolarHBondContact O-CB 3.35Å; R13-D17 PolarHBondContact O-N 3.02Å; V15-D17 PolarHBondContact O-N 3.44Å; D17-F21 WeakPolarHBondContact O-CB 3.32Å; D17-F21 PolarHBondContact O-N 3.21Å
18L96.5Very high94.5Very high93 Ų9378 Ų7849%0.48738%0.382SS..Hα-helixtrans-63.7-4417117765.2000111.7E14 V15 F16 W22E14-L18 PolarHBondContact O-N 2.87Å; E14-L18 VanDerWaalsContact O-N 3.09Å; V15-L18 WeakPolarHBondContact O-CB 3.49Å; V15-L18 PolarHBondContact O-N 3.06Å; F16-L18 VanDerWaalsContact C-N 3.27Å; F16-L18 PolarHBondContact O-N 3.34Å; L18-W22 PolarHBondContact O-N 3.27Å
19F96.3Very high94.6Very high32 Ų3274 Ų7414%0.1436%0.363CS..Hα-helixtrans-70.3-42178.2-83.7-98000112.1V15 F16 F21 W22 D23 I29 K33 D36 L37 C40V15-F19 HydrophobicContact CG1-CD2 3.98Å; V15-F19 HydrophobicContact CG1-CE2 3.84Å; V15-F19 WeakPolarHBondContact O-CD2 3.37Å; V15-F19 PolarHBondContact O-N 2.78Å; V15-F19 VanDerWaalsContact O-N 3.13Å; F16-F19 PolarHBondContact O-N 3.12Å; F16-F19 VanDerWaalsContact O-N 3.09Å; F19-F21 VanDerWaalsContact C-N 3.3Å; F19-F21 PolarHBondContact O-N 3.43Å; F19-W22 PolarHBondContact O-N 3.02Å; F19-W22 VanDerWaalsContact O-N 3.12Å; F19-D23 PolarHBondContact O-N 2.74Å; F19-D23 VanDerWaalsContact O-N 3.14Å; F19-I29 HydrophobicContact CB-CG2 3.89Å; F19-K33 HydrophobicContact CD1-CB 3.79Å; F19-K33 HydrophobicContact CD1-CD 4.35Å; F19-K33 HydrophobicContact CD1-CG 4.21Å; F19-K33 HydrophobicContact CE1-CB 4.17Å; F19-K33 HydrophobicContact CE1-CD 4.41Å; F19-D36 HydrophobicContact CE1-CB 3.74Å; F19-D36 HydrophobicContact CZ-CB 3.72Å; F19-L37 HydrophobicContact CD2-CB 4.17Å; F19-L37 HydrophobicContact CD2-CG 4.32Å; F19-L37 HydrophobicContact CE2-CB 4.06Å; F19-L37 HydrophobicContact CZ-CB 4.31Å; F19-C40 HydrophobicContact CE2-CB 4.18Å
20D96.1Very high94.7Very high13 Ų1372 Ų727%0.0735%0.353CS..Hα-helixtrans-56.4-44.6172.9171.339.9000110.8F16 W22 D23 G24 R25 D26 G27 M28 I29F16-D20 HydrophobicContact CE1-CB 4.41Å; F16-D20 PolarHBondContact O-N 2.98Å; D20-W22 PolarHBondContact O-N 2.94Å; D20-D23 PolarHBondContact O-N 3.49Å; D20-G24 PolarHBondContact O-N 3Å; D20-G24 VanDerWaalsContact O-N 3.09Å; D20-R25 WeakPolarHBondContact O-CA 3.32Å; D20-R25 PolarHBondContact O-N 3.18Å; D20-R25 WeakPolarHBondContact OD1-CA 3.34Å; D20-R25 PolarHBondContact OD1-N 3.46Å; D20-D26 PolarHBondContact OD1-N 3.36Å; D20-G27 VanDerWaalsContact CG-N 3.33Å; D20-G27 PolarHBondContact OD1-N 3.32Å; D20-G27 WeakPolarHBondContact OD2-CA 3.4Å; D20-G27 PolarHBondContact OD2-N 3Å; D20-G27 VanDerWaalsContact OD2-N 3.17Å; D20-M28 PolarHBondContact OD1-N 3.45Å; D20-I29 HydrophobicContact CB-CG2 4.2Å
21F94.3Very high94.7Very high114 Ų11466 Ų6650%0.533%0.325SS..Hα-helixtrans-55.1-38.3176.5178.1-92.2000113.3D17 F19D17-F21 WeakPolarHBondContact O-CB 3.32Å; D17-F21 PolarHBondContact O-N 3.21Å; F19-F21 VanDerWaalsContact C-N 3.3Å; F19-F21 PolarHBondContact O-N 3.43Å
22W90.6Very high94.7Very high200 Ų20063.3 Ų63.376%0.75831%0.312SS*.Hα-helixtrans-83.4-14.7179.8-71.8114.2000114.3L18 F19 D20L18-W22 PolarHBondContact O-N 3.27Å; F19-W22 PolarHBondContact O-N 3.02Å; F19-W22 VanDerWaalsContact O-N 3.12Å; D20-W22 PolarHBondContact O-N 2.94Å
23D83.2Confident94.7Very high44 Ų4466.8 Ų66.824%0.23533%0.327CS..Hα-helixtrans-104.7-8-176.8-157.824.9000113.7F19 D20 D30F19-D23 PolarHBondContact O-N 2.74Å; F19-D23 VanDerWaalsContact O-N 3.14Å; D20-D23 PolarHBondContact O-N 3.49Å; D23-D30 WeakPolarHBondContact OD2-CB 3.4Å; D23-D30 PolarHBondContact OD2-N 3.01Å; D23-D30 VanDerWaalsContact OD2-N 3.07Å
24G88.2Confident94.7Very high59 Ų5961 Ų6161%0.60831%0.305SS*.THydrogen-bonded Turntrans146-12.4174.400000115.1D20D20-G24 PolarHBondContact O-N 3Å; D20-G24 VanDerWaalsContact O-N 3.09Å
25R91.1Very high94.6Very high186 Ų18654.6 Ų54.670%0.70228%0.277SS*.SBendtrans59.747.7-179.2-158.2-174.8-177-172.11.3112.4D20D20-R25 WeakPolarHBondContact O-CA 3.32Å; D20-R25 PolarHBondContact O-N 3.18Å; D20-R25 WeakPolarHBondContact OD1-CA 3.34Å; D20-R25 PolarHBondContact OD1-N 3.46Å
26D94.6Very high94.6Very high89 Ų8956.9 Ų56.948%0.47629%0.288SS..SBendtrans-105.22.9179.168.36.3000113.1D20 M28D20-D26 PolarHBondContact OD1-N 3.36Å; D26-M28 WeakPolarHBondContact OD1-CA 3.34Å; D26-M28 VanDerWaalsContact OD1-CB 3.31Å; D26-M28 WeakPolarHBondContact OD1-CB 3.47Å; D26-M28 PolarHBondContact OD1-N 3.27Å
27G95.2Very high94.5Very high33 Ų3356.8 Ų56.834%0.3429%0.287SS..SBendtrans82.715.1-177.400000113.2D20D20-G27 VanDerWaalsContact CG-N 3.33Å; D20-G27 PolarHBondContact OD1-N 3.32Å; D20-G27 WeakPolarHBondContact OD2-CA 3.4Å; D20-G27 PolarHBondContact OD2-N 3Å; D20-G27 VanDerWaalsContact OD2-N 3.17Å
28M96.7Very high94.5Very high54 Ų5453.4 Ų53.427%0.26627%0.269SS..EExtended strand (participates in β ladder)trans-128.3158.6177.2-46.8-165.8-163.600110.8D20 D26 Q63 Y64 K65D20-M28 PolarHBondContact OD1-N 3.45Å; D26-M28 WeakPolarHBondContact OD1-CA 3.34Å; D26-M28 VanDerWaalsContact OD1-CB 3.31Å; D26-M28 WeakPolarHBondContact OD1-CB 3.47Å; D26-M28 PolarHBondContact OD1-N 3.27Å; M28-Q63 HydrophobicContact CB-CB 4.23Å; M28-Q63 HydrophobicContact SD-CB 4.37Å; M28-Y64 VanDerWaalsContact CA-O 3.24Å; M28-Y64 WeakPolarHBondContact CA-O 3.31Å; M28-K65 HydrophobicContact CG-CG 4.16Å; M28-K65 HydrophobicContact SD-CG 4.48Å
29I96.6Very high94.4Very high0 Ų053.2 Ų53.20%026%0.262CS..EExtended strand (participates in β ladder)trans-124144.1168.365.8176.7000109.4F16 F19 D20 L37 Q63 Y64F16-I29 HydrophobicContact CD1-CG2 4.31Å; F16-I29 HydrophobicContact CD2-CD1 3.67Å; F16-I29 HydrophobicContact CD2-CG1 4.17Å; F16-I29 HydrophobicContact CD2-CG2 4.12Å; F16-I29 HydrophobicContact CE1-CG2 4.04Å; F16-I29 HydrophobicContact CE2-CB 4.27Å; F16-I29 HydrophobicContact CE2-CD1 3.54Å; F16-I29 HydrophobicContact CE2-CG1 3.55Å; F16-I29 HydrophobicContact CE2-CG2 3.87Å; F16-I29 HydrophobicContact CG-CG2 4.33Å; F16-I29 HydrophobicContact CZ-CB 4.38Å; F16-I29 HydrophobicContact CZ-CD1 4.45Å; F16-I29 HydrophobicContact CZ-CG1 4.05Å; F16-I29 HydrophobicContact CZ-CG2 3.8Å; F19-I29 HydrophobicContact CB-CG2 3.89Å; D20-I29 HydrophobicContact CB-CG2 4.2Å; I29-L37 HydrophobicContact CD1-CD1 3.33Å; I29-Q63 CarbonylContact O-C 3.29Å; I29-Q63 WeakPolarHBondContact O-CA 3.32Å; I29-Y64 PolarHBondContact N-O 3.2Å; I29-Y64 PolarHBondContact O-N 3.5Å
30D96.7Very high94.3Very high5 Ų555.6 Ų55.63%0.02728%0.282CS..EExtended strand (participates in β ladder)trans-62.9136.7167.2-161.5-63.7000111.7D23 V32 K33 Q59 G60D23-D30 WeakPolarHBondContact OD2-CB 3.4Å; D23-D30 PolarHBondContact OD2-N 3.01Å; D23-D30 VanDerWaalsContact OD2-N 3.07Å; D30-V32 HydrophobicContact CB-CG1 4.05Å; D30-V32 PolarHBondContact O-N 3.26Å; D30-V32 VanDerWaalsContact O-N 3.12Å; D30-V32 WeakPolarHBondContact OD1-CB 3.48Å; D30-V32 VanDerWaalsContact OD1-CG1 3.23Å; D30-V32 WeakPolarHBondContact OD1-CG1 3.14Å; D30-V32 PolarHBondContact OD1-N 3.14Å; D30-K33 HydrophobicContact CB-CG 4.45Å; D30-K33 WeakPolarHBondContact O-CB 3.23Å; D30-K33 PolarHBondContact O-N 3.23Å; D30-Q59 WeakPolarHBondContact OD2-CG 3.25Å; D30-G60 WeakPolarHBondContact OD2-CA 3.35Å; D30-G60 PolarHBondContact OD2-N 3.27Å
31A96.7Very high94.1Very high0 Ų056.4 Ų56.40%029%0.288CS..G310 helixtrans-62-18.7179.100000113.1K33 V34 A55 T56 K62 Y64A31-K33 PolarHBondContact O-N 3.41Å; A31-V34 WeakPolarHBondContact O-CB 3.27Å; A31-V34 PolarHBondContact O-N 2.89Å; A31-A55 VanDerWaalsContact O-CA 3.31Å; A31-A55 WeakPolarHBondContact O-CA 3.43Å; A31-A55 WeakPolarHBondContact O-CB 2.97Å; A31-T56 VanDerWaalsContact C-OG1 3.31Å; A31-T56 HydrophobicContact CB-CG2 3.71Å; A31-T56 WeakPolarHBondContact CB-OG1 3.43Å; A31-T56 PolarHBondContact O-N 3.27Å; A31-T56 VanDerWaalsContact O-N 3.16Å; A31-K62 HydrophobicContact CB-CB 3.81Å; A31-K62 HydrophobicContact CB-CG 4.32Å; A31-K62 VanDerWaalsContact CB-O 3.28Å; A31-K62 WeakPolarHBondContact CB-O 3.47Å; A31-K62 PolarHBondContact N-O 2.88Å; A31-Y64 HydrophobicContact CB-CD2 4.03Å; A31-Y64 HydrophobicContact CB-CE2 3.64Å
32V96.4Very high93.9Very high43 Ų4353.9 Ų53.926%0.26130%0.295SS..G310 helixtrans-66.7-23.817277.70000112.3D30 T56 Q59D30-V32 HydrophobicContact CB-CG1 4.05Å; D30-V32 PolarHBondContact O-N 3.26Å; D30-V32 VanDerWaalsContact O-N 3.12Å; D30-V32 WeakPolarHBondContact OD1-CB 3.48Å; D30-V32 VanDerWaalsContact OD1-CG1 3.23Å; D30-V32 WeakPolarHBondContact OD1-CG1 3.14Å; D30-V32 PolarHBondContact OD1-N 3.14Å; V32-T56 WeakPolarHBondContact CA-O 3.16Å; V32-T56 PolarHBondContact N-OG1 3.18Å; V32-Q59 HydrophobicContact CG1-CB 4.25Å; V32-Q59 HydrophobicContact CG1-CG 4.4Å
33K95.8Very high94Very high77 Ų7745.6 Ų45.634%0.33527%0.265SS..G310 helixtrans-87.7-8.6-179.3-60.5-58.9-175.1-179.30114.2F19 D30 A31 G35 D36 L37F19-K33 HydrophobicContact CD1-CB 3.79Å; F19-K33 HydrophobicContact CD1-CD 4.35Å; F19-K33 HydrophobicContact CD1-CG 4.21Å; F19-K33 HydrophobicContact CE1-CB 4.17Å; F19-K33 HydrophobicContact CE1-CD 4.41Å; D30-K33 HydrophobicContact CB-CG 4.45Å; D30-K33 WeakPolarHBondContact O-CB 3.23Å; D30-K33 PolarHBondContact O-N 3.23Å; A31-K33 PolarHBondContact O-N 3.41Å; K33-G35 VanDerWaalsContact C-N 3.27Å; K33-G35 PolarHBondContact O-N 3.42Å; K33-D36 PolarHBondContact O-N 3.06Å; K33-D36 VanDerWaalsContact O-N 3.14Å; K33-L37 PolarHBondContact O-N 3.07Å
34V95.9Very high94.4Very high2 Ų249.3 Ų49.31%0.01229%0.285CS..Hα-helixtrans-56-41.7-177.7163.30000112A31 D36 L37 L38 A55 Y64 F69A31-V34 WeakPolarHBondContact O-CB 3.27Å; A31-V34 PolarHBondContact O-N 2.89Å; V34-D36 PolarHBondContact O-N 2.97Å; V34-L37 PolarHBondContact O-N 3.46Å; V34-L38 HydrophobicContact CG1-CD1 3.69Å; V34-L38 HydrophobicContact CG1-CG 4.44Å; V34-L38 VanDerWaalsContact O-CD1 3.31Å; V34-L38 WeakPolarHBondContact O-CD1 3.32Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 3.49Å; V34-A55 HydrophobicContact CB-CB 3.86Å; V34-A55 HydrophobicContact CG1-CB 3.97Å; V34-Y64 HydrophobicContact CG2-CD2 4.16Å; V34-Y64 HydrophobicContact CG2-CE2 4.22Å; V34-F69 HydrophobicContact CG1-CE2 4.01Å; V34-F69 HydrophobicContact CG2-CD2 4.17Å; V34-F69 HydrophobicContact CG2-CE2 4.15Å
35G95.6Very high94.7Very high6 Ų646.8 Ų46.86%0.06226%0.258CS..Hα-helixtrans-62.6-42.317900000113.2K33 L38 R39K33-G35 VanDerWaalsContact C-N 3.27Å; K33-G35 PolarHBondContact O-N 3.42Å; G35-L38 PolarHBondContact O-N 3.26Å; G35-R39 WeakPolarHBondContact O-CG 3.3Å; G35-R39 PolarHBondContact O-N 3.06Å; G35-R39 VanDerWaalsContact O-N 3.16Å
36D95.8Very high94.9Very high71 Ų7141.4 Ų41.438%0.3825%0.246SC..Hα-helixtrans-72.1-39.1179.4-63.7-20.2000111.4F19 K33 V34 L38 R39 C40F19-D36 HydrophobicContact CE1-CB 3.74Å; F19-D36 HydrophobicContact CZ-CB 3.72Å; K33-D36 PolarHBondContact O-N 3.06Å; K33-D36 VanDerWaalsContact O-N 3.14Å; V34-D36 PolarHBondContact O-N 2.97Å; D36-L38 VanDerWaalsContact C-N 3.33Å; D36-L38 PolarHBondContact O-N 2.97Å; D36-R39 PolarHBondContact O-N 3.05Å; D36-R39 IonicContact OD1-NH1 3.34Å; D36-R39 PolarHBondContact OD1-NH1 3.33Å; D36-C40 PolarHBondContact O-N 2.88Å; D36-C40 PolarHBondContact O-SG 3.02Å
37L96.4Very high95Very high0 Ų040.8 Ų40.80%024%0.242CC..Hα-helixtrans-58.2-45.6173.9-176166.5000111.1V15 F16 F19 I29 K33 V34 R39 C40 S41 F69V15-L37 HydrophobicContact CG1-CD2 4.36Å; V15-L37 HydrophobicContact CG1-CG 3.9Å; F16-L37 HydrophobicContact CB-CD1 4.23Å; F16-L37 HydrophobicContact CD2-CD1 4.03Å; F19-L37 HydrophobicContact CD2-CB 4.17Å; F19-L37 HydrophobicContact CD2-CG 4.32Å; F19-L37 HydrophobicContact CE2-CB 4.06Å; F19-L37 HydrophobicContact CZ-CB 4.31Å; I29-L37 HydrophobicContact CD1-CD1 3.33Å; K33-L37 PolarHBondContact O-N 3.07Å; V34-L37 PolarHBondContact O-N 3.46Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 2.9Å; L37-C40 PolarHBondContact O-N 2.91Å; L37-S41 WeakPolarHBondContact O-CB 3.45Å; L37-S41 PolarHBondContact O-N 3.26Å; L37-S41 PolarHBondContact O-OG 3.27Å; L37-F69 HydrophobicContact CD1-CE1 4.12Å; L37-F69 HydrophobicContact CD1-CZ 4.11Å; L37-F69 HydrophobicContact CD2-CE1 3.6Å; L37-F69 HydrophobicContact CD2-CE2 4.35Å; L37-F69 HydrophobicContact CD2-CZ 3.35Å; L37-F69 HydrophobicContact CG-CZ 4.31Å
38L95.3Very high95Very high0 Ų042.3 Ų42.30%025%0.251CS..Hα-helixtrans-60.8-40.8176.8-70.4160.2000111.7V34 G35 D36 S41 G42 I43 P45 T50 F69 Y73 I76V34-L38 HydrophobicContact CG1-CD1 3.69Å; V34-L38 HydrophobicContact CG1-CG 4.44Å; V34-L38 VanDerWaalsContact O-CD1 3.31Å; V34-L38 WeakPolarHBondContact O-CD1 3.32Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 3.49Å; G35-L38 PolarHBondContact O-N 3.26Å; D36-L38 VanDerWaalsContact C-N 3.33Å; D36-L38 PolarHBondContact O-N 2.97Å; L38-S41 CarbonylContact O-C 3.33Å; L38-S41 WeakPolarHBondContact O-CA 3.31Å; L38-S41 WeakPolarHBondContact O-CB 3.27Å; L38-S41 PolarHBondContact O-N 2.94Å; L38-S41 VanDerWaalsContact O-N 3.14Å; L38-G42 PolarHBondContact O-N 2.98Å; L38-I43 CarbonylContact C-O 3.45Å; L38-I43 VanDerWaalsContact C-O 3.29Å; L38-I43 HydrophobicContact CD2-CD1 4.35Å; L38-I43 PolarHBondContact O-N 3.17Å; L38-I43 VanDerWaalsContact O-O 3.12Å; L38-P45 HydrophobicContact CB-CG 3.96Å; L38-P45 HydrophobicContact CD1-CG 3.95Å; L38-T50 HydrophobicContact CD1-CG2 3.87Å; L38-F69 HydrophobicContact CD2-CZ 4.37Å; L38-Y73 HydrophobicContact CD2-CD2 3.46Å; L38-Y73 VanDerWaalsContact CD2-CD2 3.46Å; L38-Y73 HydrophobicContact CD2-CE2 3.9Å; L38-Y73 HydrophobicContact CD2-CG 4.12Å; L38-I76 HydrophobicContact CD1-CD1 3.34Å; L38-I76 HydrophobicContact CD1-CG2 4.47Å; L38-I76 HydrophobicContact CD2-CD1 4.38Å
39R94.6Very high94.9Very high90 Ų9040.9 Ų40.934%0.3424%0.244SC..Hα-helixtrans-65.7-42175.3-69.7174.5-169.6111.95.2112.7G35 D36 L37 S41 G42 I43 P45G35-R39 WeakPolarHBondContact O-CG 3.3Å; G35-R39 PolarHBondContact O-N 3.06Å; G35-R39 VanDerWaalsContact O-N 3.16Å; D36-R39 PolarHBondContact O-N 3.05Å; D36-R39 IonicContact OD1-NH1 3.34Å; D36-R39 PolarHBondContact OD1-NH1 3.33Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 2.9Å; R39-S41 PolarHBondContact O-N 3.4Å; R39-G42 PolarHBondContact O-N 2.65Å; R39-I43 WeakPolarHBondContact CA-O 3.41Å; R39-I43 PolarHBondContact N-O 3.4Å; R39-P45 PolarHBondContact NH2-O 3.06Å
40C94.3Very high94.9Very high82 Ų8241.1 Ų41.155%0.55425%0.246SC*.Hα-helixtrans-63.1-27.3171.8-72.60000112.5V15 F19 D36 L37 G42V15-C40 HydrophobicContact CG1-CB 3.55Å; F19-C40 HydrophobicContact CE2-CB 4.18Å; D36-C40 PolarHBondContact O-N 2.88Å; D36-C40 PolarHBondContact O-SG 3.02Å; L37-C40 PolarHBondContact O-N 2.91Å; C40-G42 PolarHBondContact O-N 2.96Å
41S92.8Very high94.9Very high29 Ų2943.9 Ų43.920%0.20326%0.263CS..THydrogen-bonded Turntrans-83.86.1173.8-50.50000113.4L37 L38 R39L37-S41 WeakPolarHBondContact O-CB 3.45Å; L37-S41 PolarHBondContact O-N 3.26Å; L37-S41 PolarHBondContact O-OG 3.27Å; L38-S41 CarbonylContact O-C 3.33Å; L38-S41 WeakPolarHBondContact O-CA 3.31Å; L38-S41 WeakPolarHBondContact O-CB 3.27Å; L38-S41 PolarHBondContact O-N 2.94Å; L38-S41 VanDerWaalsContact O-N 3.14Å; R39-S41 PolarHBondContact O-N 3.4Å
42G90.1Very high94.8Very high62 Ų6250.3 Ų50.364%0.63929%0.291SS*.THydrogen-bonded Turntrans878.1176.200000115.7L38 R39 C40L38-G42 PolarHBondContact O-N 2.98Å; R39-G42 PolarHBondContact O-N 2.65Å; C40-G42 PolarHBondContact O-N 2.96Å
43I91.5Very high94.7Very high25 Ų2550.1 Ų50.113%0.12829%0.287CS..  trans-105.4135.5178.4-50173.6000109.1L38 R39 P45 Y73 I76 L77L38-I43 CarbonylContact C-O 3.45Å; L38-I43 VanDerWaalsContact C-O 3.29Å; L38-I43 HydrophobicContact CD2-CD1 4.35Å; L38-I43 PolarHBondContact O-N 3.17Å; L38-I43 VanDerWaalsContact O-O 3.12Å; R39-I43 WeakPolarHBondContact CA-O 3.41Å; R39-I43 PolarHBondContact N-O 3.4Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; I43-Y73 HydrophobicContact CD1-CE1 3.94Å; I43-Y73 HydrophobicContact CD1-CE2 3.93Å; I43-Y73 WeakPolarHBondContact CD1-OH 3.24Å; I43-I76 HydrophobicContact CG2-CG2 4.35Å; I43-L77 HydrophobicContact CD1-CB 4.49Å; I43-L77 HydrophobicContact CD1-CD1 3.82Å; I43-L77 HydrophobicContact CG1-CD1 4.43Å
44N93.3Very high94.6Very high122 Ų12247.5 Ų47.565%0.65228%0.282SS*.  trans-110.268.9-178.4-60.4-65.4000112.1
45P94.5Very high94.7Very high7 Ų747.8 Ų47.85%0.04529%0.285CS..  trans-74153.1178.234.9-37.1000111.3L38 R39 I43 L49 T50 I76L38-P45 HydrophobicContact CB-CG 3.96Å; L38-P45 HydrophobicContact CD1-CG 3.95Å; R39-P45 PolarHBondContact NH2-O 3.06Å; I43-P45 WeakPolarHBondContact O-CD 3.39Å; P45-L49 HydrophobicContact CB-CD2 4.16Å; P45-T50 HydrophobicContact CB-CG2 3.72Å; P45-T50 HydrophobicContact CG-CG2 3.43Å; P45-T50 VanDerWaalsContact CG-CG2 3.43Å; P45-I76 HydrophobicContact CB-CG2 3.88Å; P45-I76 HydrophobicContact CG-CG2 4.43Å
46T95.2Very high94.7Very high73 Ų7348.6 Ų48.645%0.44829%0.288SS..  trans-70.7152.8165.462.20000110.1A48 L49 T50 E117T46-A48 PolarHBondContact O-N 3.08Å; T46-L49 WeakPolarHBondContact O-CB 3.16Å; T46-L49 PolarHBondContact O-N 3.26Å; T46-L49 VanDerWaalsContact OG1-CB 3.31Å; T46-L49 WeakPolarHBondContact OG1-CB 3.47Å; T46-L49 PolarHBondContact OG1-N 2.92Å; T46-T50 WeakPolarHBondContact O-CG2 3.32Å; T46-T50 PolarHBondContact O-N 2.95Å; T46-E117 WeakPolarHBondContact CA-OE2 3.2Å; T46-E117 WeakPolarHBondContact CB-OE1 3.44Å; T46-E117 WeakPolarHBondContact CB-OE2 3.48Å
47I95.1Very high94.7Very high75 Ų7550.7 Ų50.739%0.38530%0.298SS..Hα-helixtrans-56-42.1173.7-59.9168.7000110.1L49 T50 V51 I57 E117I47-L49 VanDerWaalsContact C-N 3.26Å; I47-L49 PolarHBondContact O-N 3Å; I47-T50 PolarHBondContact O-N 3.34Å; I47-T50 PolarHBondContact O-OG1 3.41Å; I47-V51 HydrophobicContact CG2-CG2 4.23Å; I47-V51 WeakPolarHBondContact O-CB 3.25Å; I47-V51 VanDerWaalsContact O-CG2 3.27Å; I47-V51 WeakPolarHBondContact O-CG2 3.38Å; I47-V51 PolarHBondContact O-N 3.48Å; I47-I57 HydrophobicContact CG2-CD1 3.7Å; I47-E117 WeakPolarHBondContact CA-OE1 3.32Å; I47-E117 HydrophobicContact CB-CG 4.44Å; I47-E117 WeakPolarHBondContact CB-OE1 3.31Å; I47-E117 HydrophobicContact CD1-CB 4.28Å; I47-E117 HydrophobicContact CD1-CG 4.44Å; I47-E117 WeakPolarHBondContact CG1-OE2 3.27Å; I47-E117 PolarHBondContact N-OE1 3.31Å; I47-E117 PolarHBondContact N-OE2 3.3Å
48A95.2Very high94.7Very high65 Ų6557.4 Ų57.454%0.53733%0.327SS..Hα-helixtrans-58.8-39.4176.500000112.1T46 K52 E117T46-A48 PolarHBondContact O-N 3.08Å; A48-K52 WeakPolarHBondContact O-CB 3.34Å; A48-K52 PolarHBondContact O-N 2.98Å; A48-E117 PolarHBondContact N-OE1 3.23Å
49L95.1Very high94.6Very high24 Ų2464 Ų6413%0.12636%0.358CS..Hα-helixtrans-71-41.9178.6-176.261.1000112P45 T46 I47 V51 K52 H53 I76 E79P45-L49 HydrophobicContact CB-CD2 4.16Å; T46-L49 WeakPolarHBondContact O-CB 3.16Å; T46-L49 PolarHBondContact O-N 3.26Å; T46-L49 VanDerWaalsContact OG1-CB 3.31Å; T46-L49 WeakPolarHBondContact OG1-CB 3.47Å; T46-L49 PolarHBondContact OG1-N 2.92Å; I47-L49 VanDerWaalsContact C-N 3.26Å; I47-L49 PolarHBondContact O-N 3Å; L49-V51 VanDerWaalsContact C-N 3.34Å; L49-V51 PolarHBondContact O-N 3.44Å; L49-K52 HydrophobicContact CD1-CD 4.13Å; L49-K52 WeakPolarHBondContact O-CB 3.45Å; L49-K52 PolarHBondContact O-N 3.46Å; L49-H53 PolarHBondContact O-CD2 3.13Å; L49-H53 VanDerWaalsContact O-CD2 3.29Å; L49-H53 PolarHBondContact O-N 2.99Å; L49-I76 HydrophobicContact CD2-CG2 4.12Å; L49-I76 HydrophobicContact CG-CG1 4.48Å; L49-E79 HydrophobicContact CD1-CG 3.79Å; L49-E79 HydrophobicContact CD2-CB 3.93Å; L49-E79 HydrophobicContact CD2-CG 4.01Å; L49-E79 HydrophobicContact CG-CG 4.45Å
50T96.1Very high94.6Very high6 Ų662.8 Ų62.84%0.03737%0.373CS..Hα-helixtrans-63.8-42.617762.80000110.9L38 P45 T46 I47 H53 G54 A55 I76L38-T50 HydrophobicContact CD1-CG2 3.87Å; P45-T50 HydrophobicContact CB-CG2 3.72Å; P45-T50 HydrophobicContact CG-CG2 3.43Å; P45-T50 VanDerWaalsContact CG-CG2 3.43Å; T46-T50 WeakPolarHBondContact O-CG2 3.32Å; T46-T50 PolarHBondContact O-N 2.95Å; I47-T50 PolarHBondContact O-N 3.34Å; I47-T50 PolarHBondContact O-OG1 3.41Å; T50-H53 CarbonylContact O-C 3.54Å; T50-H53 PolarHBondContact O-N 3.41Å; T50-H53 VanDerWaalsContact O-N 3.12Å; T50-G54 PolarHBondContact O-N 2.68Å; T50-G54 VanDerWaalsContact O-N 3.08Å; T50-A55 VanDerWaalsContact C-CB 3.47Å; T50-A55 VanDerWaalsContact O-CB 3.32Å; T50-A55 WeakPolarHBondContact O-CB 3.34Å; T50-A55 PolarHBondContact O-N 3.46Å; T50-I76 HydrophobicContact CG2-CD1 4.46Å
51V96.3Very high94.7Very high62 Ų6264.2 Ų64.238%0.37637%0.372SS..Hα-helixtrans-63.1-42.1176.4172.10000111.5I47 L49 H53 G54 I57I47-V51 HydrophobicContact CG2-CG2 4.23Å; I47-V51 WeakPolarHBondContact O-CB 3.25Å; I47-V51 VanDerWaalsContact O-CG2 3.27Å; I47-V51 WeakPolarHBondContact O-CG2 3.38Å; I47-V51 PolarHBondContact O-N 3.48Å; L49-V51 VanDerWaalsContact C-N 3.34Å; L49-V51 PolarHBondContact O-N 3.44Å; V51-H53 PolarHBondContact O-N 3Å; V51-G54 PolarHBondContact O-N 3.2Å; V51-I57 HydrophobicContact CG2-CD1 3.66Å; V51-I57 HydrophobicContact CG2-CG1 4.21Å
52K95.3Very high94.8Very high135 Ų13567.5 Ų67.559%0.58738%0.383SS*.Hα-helixtrans-54.9-34173.9174-174.4168.8-157.50112.1A48 L49 E79A48-K52 WeakPolarHBondContact O-CB 3.34Å; A48-K52 PolarHBondContact O-N 2.98Å; L49-K52 HydrophobicContact CD1-CD 4.13Å; L49-K52 WeakPolarHBondContact O-CB 3.45Å; L49-K52 PolarHBondContact O-N 3.46Å; K52-E79 IonicContact NZ-OE1 2.7Å; K52-E79 PolarHBondContact NZ-OE1 2.86Å
53H95.3Very high95.1Very high40 Ų4068.7 Ų68.719%0.18537%0.372CS..THydrogen-bonded Turntrans-101.718.3179-67-69.3000113.8L49 T50 V51 C72 A75 I76 E79L49-H53 PolarHBondContact O-CD2 3.13Å; L49-H53 VanDerWaalsContact O-CD2 3.29Å; L49-H53 PolarHBondContact O-N 2.99Å; T50-H53 CarbonylContact O-C 3.54Å; T50-H53 PolarHBondContact O-N 3.41Å; T50-H53 VanDerWaalsContact O-N 3.12Å; V51-H53 PolarHBondContact O-N 3Å; H53-C72 WeakPolarHBondContact O-CB 3.46Å; H53-C72 PolarHBondContact O-SG 3.5Å; H53-A75 WeakPolarHBondContact ND1-CB 3.37Å; H53-I76 HydrophobicContact CB-CD1 3.92Å; H53-I76 HydrophobicContact CB-CG1 3.8Å; H53-E79 IonicContact NE2-OE1 3.43Å; H53-E79 PolarHBondContact NE2-OE1 3.47Å
54G94.2Very high95.3Very high22 Ų2268 Ų6823%0.22737%0.368CS..THydrogen-bonded Turntrans100.512.3164.500000116.3T50 V51 Y64T50-G54 PolarHBondContact O-N 2.68Å; T50-G54 VanDerWaalsContact O-N 3.08Å; V51-G54 PolarHBondContact O-N 3.2Å; G54-Y64 WeakPolarHBondContact CA-OH 3.26Å; G54-Y64 WeakPolarHBondContact O-CE2 3.4Å; G54-Y64 PolarHBondContact O-OH 3.27Å
55A96.5Very high95.5Very high8 Ų867.5 Ų67.57%0.06636%0.359CS..  trans-67.2157.3161.400000110.8A31 V34 T50A31-A55 VanDerWaalsContact O-CA 3.31Å; A31-A55 WeakPolarHBondContact O-CA 3.43Å; A31-A55 WeakPolarHBondContact O-CB 2.97Å; V34-A55 HydrophobicContact CB-CB 3.86Å; V34-A55 HydrophobicContact CG1-CB 3.97Å; T50-A55 VanDerWaalsContact C-CB 3.47Å; T50-A55 VanDerWaalsContact O-CB 3.32Å; T50-A55 WeakPolarHBondContact O-CB 3.34Å; T50-A55 PolarHBondContact O-N 3.46Å
56T97.1Very high95.7Very high23 Ų2367.8 Ų67.814%0.14136%0.36CS..  trans-115.3161.1176.155.80000110.5A31 V32 K58 E61 K62A31-T56 VanDerWaalsContact C-OG1 3.31Å; A31-T56 HydrophobicContact CB-CG2 3.71Å; A31-T56 WeakPolarHBondContact CB-OG1 3.43Å; A31-T56 PolarHBondContact O-N 3.27Å; A31-T56 VanDerWaalsContact O-N 3.16Å; V32-T56 WeakPolarHBondContact CA-O 3.16Å; V32-T56 PolarHBondContact N-OG1 3.18Å; T56-K58 PolarHBondContact OG1-O 3.13Å; T56-E61 WeakPolarHBondContact CB-OE2 3.47Å; T56-E61 HydrophobicContact CG2-CB 3.73Å; T56-K62 HydrophobicContact CG2-CB 3.97Å
57I95.2Very high95.7Very high114 Ų11470.2 Ų70.259%0.58537%0.37SS*.SBendtrans-92.5-30.2177.1-60.7-59.4000110.8I47 V51I47-I57 HydrophobicContact CG2-CD1 3.7Å; V51-I57 HydrophobicContact CG2-CD1 3.66Å; V51-I57 HydrophobicContact CG2-CG1 4.21Å
58K95.4Very high95.7Very high141 Ų14171.7 Ų71.761%0.61338%0.376SS*.SBendtrans-108.3143.8179-60.3175.5-177.3171.70110.2T56 E61T56-K58 PolarHBondContact OG1-O 3.13Å; K58-E61 HydrophobicContact CB-CG 3.99Å; K58-E61 PolarHBondContact N-OE2 3.32Å
59Q94.4Very high95.7Very high139 Ų13968.6 Ų68.665%0.6535%0.35SS*.THydrogen-bonded Turntrans-63.9143.1171.2-168.2175.77.100110.4D30 V32D30-Q59 WeakPolarHBondContact OD2-CG 3.25Å; V32-Q59 HydrophobicContact CG1-CB 4.25Å; V32-Q59 HydrophobicContact CG1-CG 4.4Å
60G94Very high95.7Very high64 Ų6468.7 Ų68.766%0.6635%0.35SS*.THydrogen-bonded Turntrans84.12.7175.500000114.6D30D30-G60 WeakPolarHBondContact OD2-CA 3.35Å; D30-G60 PolarHBondContact OD2-N 3.27Å
61E95.7Very high95.6Very high113 Ų11372 Ų7253%0.52837%0.372SS..SBendtrans-77.2-36.4-178.9-73-173.5148.200112.5T56 K58T56-E61 WeakPolarHBondContact CB-OE2 3.47Å; T56-E61 HydrophobicContact CG2-CB 3.73Å; K58-E61 HydrophobicContact CB-CG 3.99Å; K58-E61 PolarHBondContact N-OE2 3.32Å
62K95.6Very high95.5Very high98 Ų9870 Ų7043%0.42636%0.361SS..  trans-157.7147.8-179.6-173.7175.7-176-174.90110.2A31 T56 Y64A31-K62 HydrophobicContact CB-CB 3.81Å; A31-K62 HydrophobicContact CB-CG 4.32Å; A31-K62 VanDerWaalsContact CB-O 3.28Å; A31-K62 WeakPolarHBondContact CB-O 3.47Å; A31-K62 PolarHBondContact N-O 2.88Å; T56-K62 HydrophobicContact CG2-CB 3.97Å; K62-Y64 HydrophobicContact CD-CE1 4.35Å; K62-Y64 HydrophobicContact CD-CE2 4.21Å; K62-Y64 VanDerWaalsContact CE-CZ 3.46Å; K62-Y64 VanDerWaalsContact CE-OH 3.32Å; K62-Y64 WeakPolarHBondContact CE-OH 3.44Å; K62-Y64 PolarHBondContact NZ-OH 2.95Å
63Q96.4Very high95.5Very high87 Ų8764.5 Ų64.541%0.40734%0.336SS..EExtended strand (participates in β ladder)trans-124.3155.9171-66.3179.5-56.700110.3M28 I29M28-Q63 HydrophobicContact CB-CB 4.23Å; M28-Q63 HydrophobicContact SD-CB 4.37Å; I29-Q63 CarbonylContact O-C 3.29Å; I29-Q63 WeakPolarHBondContact O-CA 3.32Å
64Y96.6Very high95.5Very high11 Ų1163.9 Ų63.94%0.04333%0.334CS..EExtended strand (participates in β ladder)trans-125.2136.9175.8-69.9-76.8000110.9F16 M28 I29 A31 V34 G54 K62 E68 F69F16-Y64 WeakPolarHBondContact CZ-O 3.29Å; M28-Y64 VanDerWaalsContact CA-O 3.24Å; M28-Y64 WeakPolarHBondContact CA-O 3.31Å; I29-Y64 PolarHBondContact N-O 3.2Å; I29-Y64 PolarHBondContact O-N 3.5Å; A31-Y64 HydrophobicContact CB-CD2 4.03Å; A31-Y64 HydrophobicContact CB-CE2 3.64Å; V34-Y64 HydrophobicContact CG2-CD2 4.16Å; V34-Y64 HydrophobicContact CG2-CE2 4.22Å; G54-Y64 WeakPolarHBondContact CA-OH 3.26Å; G54-Y64 WeakPolarHBondContact O-CE2 3.4Å; G54-Y64 PolarHBondContact O-OH 3.27Å; K62-Y64 HydrophobicContact CD-CE1 4.35Å; K62-Y64 HydrophobicContact CD-CE2 4.21Å; K62-Y64 VanDerWaalsContact CE-CZ 3.46Å; K62-Y64 VanDerWaalsContact CE-OH 3.32Å; K62-Y64 WeakPolarHBondContact CE-OH 3.44Å; K62-Y64 PolarHBondContact NZ-OH 2.95Å; Y64-E68 HydrophobicContact CD1-CB 3.91Å; Y64-F69 HydrophobicContact CG-CB 4.41Å
65K97.3Very high95.5Very high110 Ų11064.2 Ų64.248%0.47833%0.334SS..EExtended strand (participates in β ladder)trans-75.5159.9153.7-66.5176.4-179.8175.40110M28 D67 E68 F69M28-K65 HydrophobicContact CG-CG 4.16Å; M28-K65 HydrophobicContact SD-CG 4.48Å; K65-D67 VanDerWaalsContact C-N 3.34Å; K65-D67 PolarHBondContact O-N 3.42Å; K65-E68 HydrophobicContact CB-CG 4.28Å; K65-E68 WeakPolarHBondContact CB-OE2 3.35Å; K65-E68 PolarHBondContact N-OE2 2.99Å; K65-E68 WeakPolarHBondContact O-CB 3.48Å; K65-E68 PolarHBondContact O-N 3.49Å; K65-F69 PolarHBondContact O-N 3.29Å
66F96.7Very high95.4Very high14 Ų1464.1 Ų64.16%0.06133%0.333CS..Hα-helixtrans-50.7-49.4-179.7-176.3-106.5000113.6I9 I12 R13 F16 E68 F69 L70I9-F66 HydrophobicContact CG2-CE1 3.88Å; I9-F66 HydrophobicContact CG2-CZ 3.9Å; I12-F66 HydrophobicContact CG2-CE2 4.05Å; R13-F66 VanDerWaalsContact CA-CE2 3.43Å; R13-F66 HydrophobicContact CB-CD2 4.35Å; R13-F66 HydrophobicContact CB-CE1 4.28Å; R13-F66 HydrophobicContact CB-CE2 3.65Å; R13-F66 HydrophobicContact CB-CZ 3.61Å; R13-F66 HydrophobicContact CG-CD2 4.33Å; R13-F66 HydrophobicContact CG-CE2 4.12Å; R13-F66 HydrophobicContact CG-CZ 4.22Å; F16-F66 HydrophobicContact CB-CD2 3.79Å; F16-F66 HydrophobicContact CB-CE2 4.16Å; F16-F66 HydrophobicContact CD1-CB 4.29Å; F16-F66 HydrophobicContact CD1-CD2 4.19Å; F16-F66 HydrophobicContact CD2-CB 4.44Å; F16-F66 AromaticContact CD2-CD2 3.84Å; F16-F66 HydrophobicContact CD2-CD2 3.84Å; F16-F66 HydrophobicContact CE1-CB 4.18Å; F16-F66 HydrophobicContact CE2-CB 4.31Å; F16-F66 HydrophobicContact CE2-CD2 4.48Å; F16-F66 HydrophobicContact CG-CB 4.44Å; F16-F66 AromaticContact CG-CD2 3.68Å; F16-F66 HydrophobicContact CG-CD2 3.68Å; F16-F66 HydrophobicContact CZ-CB 4.19Å; F16-F66 VanDerWaalsContact CZ-N 3.34Å; F66-E68 PolarHBondContact O-N 3Å; F66-F69 PolarHBondContact O-N 3.1Å; F66-F69 VanDerWaalsContact O-N 3.12Å; F66-L70 HydrophobicContact CD1-CD1 4.1Å; F66-L70 HydrophobicContact CD1-CG 4.32Å; F66-L70 HydrophobicContact CE1-CD1 3.58Å; F66-L70 HydrophobicContact CE1-CD2 4.16Å; F66-L70 HydrophobicContact CE1-CG 3.91Å; F66-L70 HydrophobicContact CE2-CD2 4.19Å; F66-L70 HydrophobicContact CE2-CG 4.42Å; F66-L70 HydrophobicContact CZ-CD1 4.05Å; F66-L70 HydrophobicContact CZ-CD2 3.73Å; F66-L70 HydrophobicContact CZ-CG 3.96Å; F66-L70 PolarHBondContact O-N 3.35Å
67D95.6Very high95.1Very high124 Ų12466.9 Ų66.966%0.66335%0.346SS*.Hα-helixtrans-66-24.6-178.7-64.7-22000113.2K65 P71K65-D67 VanDerWaalsContact C-N 3.34Å; K65-D67 PolarHBondContact O-N 3.42Å; D67-P71 WeakPolarHBondContact O-CD 3.33Å
68E95.7Very high95Very high106 Ų10667.5 Ų67.550%0.49535%0.345SS..Hα-helixtrans-83.6-27.2176.8-58.8173142.600111.9Y64 K65 F66Y64-E68 HydrophobicContact CD1-CB 3.91Å; K65-E68 HydrophobicContact CB-CG 4.28Å; K65-E68 WeakPolarHBondContact CB-OE2 3.35Å; K65-E68 PolarHBondContact N-OE2 2.99Å; K65-E68 WeakPolarHBondContact O-CB 3.48Å; K65-E68 PolarHBondContact O-N 3.49Å; F66-E68 PolarHBondContact O-N 3Å
69F95.2Very high94.8Very high0 Ų063.7 Ų63.70%033%0.329CS..Hα-helixtrans-78.4-37.3177.2166.5-106.2000112.8I12 F16 V34 L37 L38 Y64 K65 F66 P71 C72 Y73I12-F69 HydrophobicContact CG2-CE1 3.89Å; F16-F69 HydrophobicContact CD2-CD1 4.08Å; F16-F69 HydrophobicContact CD2-CG 4.41Å; F16-F69 HydrophobicContact CE2-CB 4.18Å; F16-F69 HydrophobicContact CE2-CG 4.48Å; V34-F69 HydrophobicContact CG1-CE2 4.01Å; V34-F69 HydrophobicContact CG2-CD2 4.17Å; V34-F69 HydrophobicContact CG2-CE2 4.15Å; L37-F69 HydrophobicContact CD1-CE1 4.12Å; L37-F69 HydrophobicContact CD1-CZ 4.11Å; L37-F69 HydrophobicContact CD2-CE1 3.6Å; L37-F69 HydrophobicContact CD2-CE2 4.35Å; L37-F69 HydrophobicContact CD2-CZ 3.35Å; L37-F69 HydrophobicContact CG-CZ 4.31Å; L38-F69 HydrophobicContact CD2-CZ 4.37Å; Y64-F69 HydrophobicContact CG-CB 4.41Å; K65-F69 PolarHBondContact O-N 3.29Å; F66-F69 PolarHBondContact O-N 3.1Å; F66-F69 VanDerWaalsContact O-N 3.12Å; F69-P71 VanDerWaalsContact C-CD 3.49Å; F69-C72 HydrophobicContact CD2-CB 4.5Å; F69-C72 WeakPolarHBondContact O-CA 3.35Å; F69-C72 VanDerWaalsContact O-CB 3.24Å; F69-C72 WeakPolarHBondContact O-CB 3.3Å; F69-C72 PolarHBondContact O-N 3.41Å; F69-Y73 AromaticContact CE1-CD2 3.91Å; F69-Y73 HydrophobicContact CE1-CD2 3.91Å; F69-Y73 HydrophobicContact CE1-CG 4.36Å; F69-Y73 AromaticContact CZ-CD2 3.78Å; F69-Y73 HydrophobicContact CZ-CD2 3.78Å; F69-Y73 HydrophobicContact CZ-CG 4.33Å; F69-Y73 PolarHBondContact O-N 2.66Å; F69-Y73 VanDerWaalsContact O-N 3.12Å
70L95.4Very high94Very high25 Ų2566 Ų6613%0.13134%0.337CS..Hα-helixtrans-50.9-43.5-176.4-80.8179000114.4I9 I12 F66 C72 Y73 E74I9-L70 HydrophobicContact CG2-CD1 4.41Å; I12-L70 HydrophobicContact CG2-CD2 4.39Å; F66-L70 HydrophobicContact CD1-CD1 4.1Å; F66-L70 HydrophobicContact CD1-CG 4.32Å; F66-L70 HydrophobicContact CE1-CD1 3.58Å; F66-L70 HydrophobicContact CE1-CD2 4.16Å; F66-L70 HydrophobicContact CE1-CG 3.91Å; F66-L70 HydrophobicContact CE2-CD2 4.19Å; F66-L70 HydrophobicContact CE2-CG 4.42Å; F66-L70 HydrophobicContact CZ-CD1 4.05Å; F66-L70 HydrophobicContact CZ-CD2 3.73Å; F66-L70 HydrophobicContact CZ-CG 3.96Å; F66-L70 PolarHBondContact O-N 3.35Å; L70-C72 VanDerWaalsContact C-N 3.27Å; L70-C72 PolarHBondContact O-N 2.9Å; L70-Y73 WeakPolarHBondContact O-CB 3.47Å; L70-Y73 PolarHBondContact O-N 3.07Å; L70-E74 WeakPolarHBondContact O-CG 3.41Å; L70-E74 PolarHBondContact O-N 2.97Å
71P93.9Very high93.3Very high77 Ų7771.4 Ų71.450%0.535%0.345SS..Hα-helixtrans-60.1-34.6175.3-25.435.6000113.9D67 F69 A75D67-P71 WeakPolarHBondContact O-CD 3.33Å; F69-P71 VanDerWaalsContact C-CD 3.49Å; P71-A75 WeakPolarHBondContact O-CB 3.47Å; P71-A75 PolarHBondContact O-N 2.99Å
72C94Very high92.6Very high20 Ų2069.7 Ų69.714%0.13534%0.342CS..Hα-helixtrans-67.1-45175.8-57.90000110.6H53 F69 L70 A75 I76H53-C72 WeakPolarHBondContact O-CB 3.46Å; H53-C72 PolarHBondContact O-SG 3.5Å; F69-C72 HydrophobicContact CD2-CB 4.5Å; F69-C72 WeakPolarHBondContact O-CA 3.35Å; F69-C72 VanDerWaalsContact O-CB 3.24Å; F69-C72 WeakPolarHBondContact O-CB 3.3Å; F69-C72 PolarHBondContact O-N 3.41Å; L70-C72 VanDerWaalsContact C-N 3.27Å; L70-C72 PolarHBondContact O-N 2.9Å; C72-A75 PolarHBondContact O-N 3.14Å; C72-I76 WeakPolarHBondContact O-CG1 3.42Å; C72-I76 PolarHBondContact O-N 2.92Å; C72-I76 VanDerWaalsContact O-N 3.12Å
73Y95.3Very high92.3Very high18 Ų1866.7 Ų66.77%0.07134%0.339CS..Hα-helixtrans-56.8-51.3175-173.9-76.8000111.6L4 I12 L38 I43 F69 L70 A75 I76 L77L4-Y73 HydrophobicContact CD1-CD1 4.03Å; L4-Y73 HydrophobicContact CD1-CE1 4.27Å; L4-Y73 HydrophobicContact CD2-CE1 4.34Å; I12-Y73 HydrophobicContact CD1-CD1 3.75Å; I12-Y73 HydrophobicContact CD1-CD2 4.21Å; I12-Y73 HydrophobicContact CD1-CE1 3.36Å; I12-Y73 HydrophobicContact CD1-CE2 3.86Å; I12-Y73 HydrophobicContact CD1-CG 4.17Å; I12-Y73 VanDerWaalsContact CD1-CZ 3.42Å; I12-Y73 HydrophobicContact CG1-CD2 4.31Å; I12-Y73 HydrophobicContact CG1-CE1 4.09Å; I12-Y73 HydrophobicContact CG1-CE2 3.72Å; I12-Y73 HydrophobicContact CG2-CD2 3.98Å; I12-Y73 HydrophobicContact CG2-CE2 4.07Å; L38-Y73 HydrophobicContact CD2-CD2 3.46Å; L38-Y73 VanDerWaalsContact CD2-CD2 3.46Å; L38-Y73 HydrophobicContact CD2-CE2 3.9Å; L38-Y73 HydrophobicContact CD2-CG 4.12Å; I43-Y73 HydrophobicContact CD1-CE1 3.94Å; I43-Y73 HydrophobicContact CD1-CE2 3.93Å; I43-Y73 WeakPolarHBondContact CD1-OH 3.24Å; F69-Y73 AromaticContact CE1-CD2 3.91Å; F69-Y73 HydrophobicContact CE1-CD2 3.91Å; F69-Y73 HydrophobicContact CE1-CG 4.36Å; F69-Y73 AromaticContact CZ-CD2 3.78Å; F69-Y73 HydrophobicContact CZ-CD2 3.78Å; F69-Y73 HydrophobicContact CZ-CG 4.33Å; F69-Y73 PolarHBondContact O-N 2.66Å; F69-Y73 VanDerWaalsContact O-N 3.12Å; L70-Y73 WeakPolarHBondContact O-CB 3.47Å; L70-Y73 PolarHBondContact O-N 3.07Å; Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 2.76Å; Y73-I76 PolarHBondContact O-N 3.33Å; Y73-L77 HydrophobicContact CE1-CD2 4.36Å; Y73-L77 PolarHBondContact O-N 3.18Å
74E94.6Very high92.2Very high28 Ų2865.9 Ų65.913%0.13134%0.34CS..Hα-helixtrans-63.4-35.3-179.8-70-164.6148.100113.5S2 S3 L4 L70 K78S2-E74 WeakPolarHBondContact CA-OE1 3.14Å; S2-E74 WeakPolarHBondContact CB-OE1 3.3Å; S2-E74 PolarHBondContact OG-OE1 3.45Å; S3-E74 PolarHBondContact N-OE1 3.3Å; L4-E74 HydrophobicContact CD1-CG 3.84Å; L4-E74 HydrophobicContact CG-CG 4.15Å; L70-E74 WeakPolarHBondContact O-CG 3.41Å; L70-E74 PolarHBondContact O-N 2.97Å; E74-K78 WeakPolarHBondContact O-CD 3.44Å; E74-K78 VanDerWaalsContact O-CG 3.32Å; E74-K78 WeakPolarHBondContact O-CG 3.5Å; E74-K78 PolarHBondContact O-N 3.31Å
75A94Very high92.1Very high29 Ų2969.4 Ų69.424%0.2435%0.354CS..Hα-helixtrans-65.9-43.5178.300000110.7H53 P71 C72 Y73 K78H53-A75 WeakPolarHBondContact ND1-CB 3.37Å; P71-A75 WeakPolarHBondContact O-CB 3.47Å; P71-A75 PolarHBondContact O-N 2.99Å; C72-A75 PolarHBondContact O-N 3.14Å; Y73-A75 VanDerWaalsContact C-N 3.31Å; Y73-A75 PolarHBondContact O-N 2.76Å; A75-K78 PolarHBondContact O-N 3.45Å
76I94.4Very high92.1Very high5 Ų566.7 Ų66.73%0.02635%0.352CS..Hα-helixtrans-67.5-39.1177.7-66.2170.2000111L38 I43 P45 L49 T50 H53 C72 Y73 K78 E79L38-I76 HydrophobicContact CD1-CD1 3.34Å; L38-I76 HydrophobicContact CD1-CG2 4.47Å; L38-I76 HydrophobicContact CD2-CD1 4.38Å; I43-I76 HydrophobicContact CG2-CG2 4.35Å; P45-I76 HydrophobicContact CB-CG2 3.88Å; P45-I76 HydrophobicContact CG-CG2 4.43Å; L49-I76 HydrophobicContact CD2-CG2 4.12Å; L49-I76 HydrophobicContact CG-CG1 4.48Å; T50-I76 HydrophobicContact CG2-CD1 4.46Å; H53-I76 HydrophobicContact CB-CD1 3.92Å; H53-I76 HydrophobicContact CB-CG1 3.8Å; C72-I76 WeakPolarHBondContact O-CG1 3.42Å; C72-I76 PolarHBondContact O-N 2.92Å; C72-I76 VanDerWaalsContact O-N 3.12Å; Y73-I76 PolarHBondContact O-N 3.33Å; I76-K78 PolarHBondContact O-N 2.84Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 PolarHBondContact O-N 3.29Å; I76-E79 VanDerWaalsContact O-N 3.09Å
77L92.4Very high92.1Very high81 Ų8169.8 Ų69.842%0.42437%0.369SS..Hα-helixtrans-62.3-27.1177.2-172.966.1000113.1L4 I43 Y73 E79L4-L77 HydrophobicContact CD2-CD2 3.65Å; I43-L77 HydrophobicContact CD1-CB 4.49Å; I43-L77 HydrophobicContact CD1-CD1 3.82Å; I43-L77 HydrophobicContact CG1-CD1 4.43Å; Y73-L77 HydrophobicContact CE1-CD2 4.36Å; Y73-L77 PolarHBondContact O-N 3.18Å; L77-E79 VanDerWaalsContact C-N 3.29Å
78K91.9Very high92.1Very high128 Ų12868.2 Ų68.256%0.55735%0.354SS*.THydrogen-bonded Turntrans-80.5-10.1178.5-72.2166.8-172.8162.40113.3E74 A75 I76 K80E74-K78 WeakPolarHBondContact O-CD 3.44Å; E74-K78 VanDerWaalsContact O-CG 3.32Å; E74-K78 WeakPolarHBondContact O-CG 3.5Å; E74-K78 PolarHBondContact O-N 3.31Å; A75-K78 PolarHBondContact O-N 3.45Å; I76-K78 PolarHBondContact O-N 2.84Å; K78-K80 PolarHBondContact O-N 3.06Å
79E90.7Very high92.2Very high60 Ų6065.3 Ų65.328%0.2834%0.342SS..  trans-75.5122178.6-65-82-170.400109.2L49 K52 H53 I76 L77L49-E79 HydrophobicContact CD1-CG 3.79Å; L49-E79 HydrophobicContact CD2-CB 3.93Å; L49-E79 HydrophobicContact CD2-CG 4.01Å; L49-E79 HydrophobicContact CG-CG 4.45Å; K52-E79 IonicContact NZ-OE1 2.7Å; K52-E79 PolarHBondContact NZ-OE1 2.86Å; H53-E79 IonicContact NE2-OE1 3.43Å; H53-E79 PolarHBondContact NE2-OE1 3.47Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 PolarHBondContact O-N 3.29Å; I76-E79 VanDerWaalsContact O-N 3.09Å; L77-E79 VanDerWaalsContact C-N 3.29Å
80K79.4Confident92.3Very high187 Ų18771.9 Ų71.981%0.81337%0.372SS*.  trans-91.8-18.2-172.3-61.4-174.1179.2-1780113.2K78 T82K78-K80 PolarHBondContact O-N 3.06Å; K80-T82 VanDerWaalsContact C-N 3.26Å; K80-T82 PolarHBondContact O-N 2.81Å; K80-T82 VanDerWaalsContact O-N 3.09Å
81E79.3Confident92.3Very high178 Ų17873 Ų7383%0.83239%0.386SS*.  trans-88.763.7-174.5-61.8-64.6150.300110.1
82T79.9Confident92.4Very high78 Ų7870.3 Ų70.348%0.47937%0.366SS..  trans-103112.116859.60000106.6K80 T84K80-T82 VanDerWaalsContact C-N 3.26Å; K80-T82 PolarHBondContact O-N 2.81Å; K80-T82 VanDerWaalsContact O-N 3.09Å; T82-T84 PolarHBondContact O-N 3.23Å
83G89.4Confident92.5Very high34 Ų3475.8 Ų75.835%0.35139%0.387SS..  trans-42.1139.3-169.900000114.3Y88G83-Y88 WeakPolarHBondContact CA-OH 3.33Å; G83-Y88 VanDerWaalsContact O-CE2 3.24Å; G83-Y88 WeakPolarHBondContact O-CE2 3.27Å; G83-Y88 PolarHBondContact O-OH 2.73Å
84T93.6Very high92.5Very high71 Ų7180 Ų8044%0.43642%0.415SS..  trans-97.1164.3-177.672.30000111.1T82 A86 D87 Y88T82-T84 PolarHBondContact O-N 3.23Å; T84-A86 PolarHBondContact O-N 2.93Å; T84-A86 PolarHBondContact OG1-N 3.49Å; T84-D87 WeakPolarHBondContact CA-OD2 3.49Å; T84-D87 VanDerWaalsContact CB-OD2 3.3Å; T84-D87 WeakPolarHBondContact CB-OD2 3.38Å; T84-D87 WeakPolarHBondContact CG2-OD2 3.49Å; T84-D87 PolarHBondContact N-OD2 2.9Å; T84-D87 PolarHBondContact O-N 2.72Å; T84-D87 PolarHBondContact OG1-N 3.16Å; T84-D87 PolarHBondContact OG1-OD2 3.31Å; T84-Y88 WeakPolarHBondContact O-CD2 3.35Å; T84-Y88 WeakPolarHBondContact O-CE2 3.48Å; T84-Y88 PolarHBondContact O-N 3.09Å; T84-Y88 VanDerWaalsContact O-N 3.08Å
85Y96.4Very high92.5Very high85 Ų8580.6 Ų80.633%0.33342%0.418SS..Hα-helixtrans-50-40.1171176-95.1000112.8Y88 M89 E144 I147 K148 L151Y85-Y88 PolarHBondContact O-N 2.97Å; Y85-M89 HydrophobicContact CD1-CG 4.05Å; Y85-M89 HydrophobicContact CD2-CG 4.44Å; Y85-M89 HydrophobicContact CE1-CG 3.58Å; Y85-M89 HydrophobicContact CE1-SD 4.43Å; Y85-M89 HydrophobicContact CE2-CG 3.99Å; Y85-M89 HydrophobicContact CE2-SD 4.2Å; Y85-M89 HydrophobicContact CG-CG 4.47Å; Y85-M89 WeakPolarHBondContact O-CB 3.47Å; Y85-M89 VanDerWaalsContact O-CG 3.27Å; Y85-M89 WeakPolarHBondContact O-CG 3.41Å; Y85-M89 PolarHBondContact O-N 2.98Å; Y85-E144 VanDerWaalsContact OH-CG 3.31Å; Y85-E144 WeakPolarHBondContact OH-CG 3.32Å; Y85-E144 PolarHBondContact OH-OE1 3.08Å; Y85-I147 HydrophobicContact CD2-CG2 3.57Å; Y85-I147 HydrophobicContact CE2-CB 4.46Å; Y85-I147 HydrophobicContact CE2-CG2 3.91Å; Y85-K148 HydrophobicContact CE2-CG 3.81Å; Y85-K148 WeakPolarHBondContact OH-CE 3.37Å; Y85-L151 HydrophobicContact CD2-CD1 4.13Å
86A96.7Very high92.6Very high53 Ų5379.9 Ų79.944%0.43841%0.41SS..Hα-helixtrans-64.8-44.5178.900000111.4T84 Y88 M89 E90T84-A86 PolarHBondContact O-N 2.93Å; T84-A86 PolarHBondContact OG1-N 3.49Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 PolarHBondContact O-N 3.41Å; A86-M89 PolarHBondContact O-N 3.37Å; A86-E90 WeakPolarHBondContact O-CG 3.25Å; A86-E90 PolarHBondContact O-N 3.4Å
87D96.2Very high92.5Very high78 Ų7889.7 Ų89.742%0.41745%0.446SS..Hα-helixtrans-61-42.9178.9-53.4-45.6000111.4T84 E90 A91T84-D87 WeakPolarHBondContact CA-OD2 3.49Å; T84-D87 VanDerWaalsContact CB-OD2 3.3Å; T84-D87 WeakPolarHBondContact CB-OD2 3.38Å; T84-D87 WeakPolarHBondContact CG2-OD2 3.49Å; T84-D87 PolarHBondContact N-OD2 2.9Å; T84-D87 PolarHBondContact O-N 2.72Å; T84-D87 PolarHBondContact OG1-N 3.16Å; T84-D87 PolarHBondContact OG1-OD2 3.31Å; D87-E90 PolarHBondContact O-N 3.42Å; D87-A91 WeakPolarHBondContact O-CB 3.11Å; D87-A91 PolarHBondContact O-N 3.39Å
88Y96.5Very high92.5Very high91 Ų9193 Ų9336%0.35746%0.46SS..Hα-helixtrans-67.8-41178-57.2-51.2000112.3G83 T84 Y85 A86 E90 A91 F92 I147 L151G83-Y88 WeakPolarHBondContact CA-OH 3.33Å; G83-Y88 VanDerWaalsContact O-CE2 3.24Å; G83-Y88 WeakPolarHBondContact O-CE2 3.27Å; G83-Y88 PolarHBondContact O-OH 2.73Å; T84-Y88 WeakPolarHBondContact O-CD2 3.35Å; T84-Y88 WeakPolarHBondContact O-CE2 3.48Å; T84-Y88 PolarHBondContact O-N 3.09Å; T84-Y88 VanDerWaalsContact O-N 3.08Å; Y85-Y88 PolarHBondContact O-N 2.97Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 PolarHBondContact O-N 3.41Å; Y88-E90 VanDerWaalsContact C-N 3.35Å; Y88-A91 PolarHBondContact O-N 3.27Å; Y88-F92 WeakPolarHBondContact O-CD2 3.46Å; Y88-F92 PolarHBondContact O-N 3.08Å; Y88-I147 HydrophobicContact CD2-CG2 4.11Å; Y88-I147 HydrophobicContact CG-CG2 4.38Å; Y88-L151 HydrophobicContact CD2-CD1 4.15Å; Y88-L151 HydrophobicContact CD2-CD2 4.42Å; Y88-L151 HydrophobicContact CE2-CD1 4.36Å; Y88-L151 HydrophobicContact CE2-CD2 3.89Å; Y88-L151 HydrophobicContact CE2-CG 4.48Å
89M97.5Very high92.6Very high46 Ų4689.7 Ų89.723%0.22746%0.461CS..Hα-helixtrans-61.9-44175.6-74.9-64.9-64.400111.3Y85 A86 K93 Y143 E144 I147Y85-M89 HydrophobicContact CD1-CG 4.05Å; Y85-M89 HydrophobicContact CD2-CG 4.44Å; Y85-M89 HydrophobicContact CE1-CG 3.58Å; Y85-M89 HydrophobicContact CE1-SD 4.43Å; Y85-M89 HydrophobicContact CE2-CG 3.99Å; Y85-M89 HydrophobicContact CE2-SD 4.2Å; Y85-M89 HydrophobicContact CG-CG 4.47Å; Y85-M89 WeakPolarHBondContact O-CB 3.47Å; Y85-M89 VanDerWaalsContact O-CG 3.27Å; Y85-M89 WeakPolarHBondContact O-CG 3.41Å; Y85-M89 PolarHBondContact O-N 2.98Å; A86-M89 PolarHBondContact O-N 3.37Å; M89-K93 VanDerWaalsContact O-CB 3.25Å; M89-K93 WeakPolarHBondContact O-CB 2.98Å; M89-K93 PolarHBondContact O-N 2.97Å; M89-Y143 HydrophobicContact CE-CD2 4.41Å; M89-Y143 HydrophobicContact CE-CE2 3.8Å; M89-Y143 HydrophobicContact SD-CD2 4.17Å; M89-Y143 HydrophobicContact SD-CE2 4.1Å; M89-E144 HydrophobicContact CE-CB 4.26Å; M89-E144 HydrophobicContact CE-CG 4.31Å; M89-E144 HydrophobicContact SD-CB 4.1Å; M89-E144 HydrophobicContact SD-CG 4.13Å; M89-I147 HydrophobicContact CG-CD1 4.05Å; M89-I147 HydrophobicContact SD-CD1 3.52Å; M89-I147 VanDerWaalsContact SD-CD1 3.52Å
90E96.3Very high92.8Very high137 Ų13793.6 Ų93.664%0.6448%0.48SS*.Hα-helixtrans-63-41.8176.4-73.7-172.4176.900111.9A86 D87 Y88 K93A86-E90 WeakPolarHBondContact O-CG 3.25Å; A86-E90 PolarHBondContact O-N 3.4Å; D87-E90 PolarHBondContact O-N 3.42Å; Y88-E90 VanDerWaalsContact C-N 3.35Å; E90-K93 PolarHBondContact O-N 2.9Å
91A95.7Very high93.6Very high50 Ų5085.4 Ų85.441%0.41345%0.448SS..Hα-helixtrans-61.3-51.717700000111.9D87 Y88 K93 T94D87-A91 WeakPolarHBondContact O-CB 3.11Å; D87-A91 PolarHBondContact O-N 3.39Å; Y88-A91 PolarHBondContact O-N 3.27Å; A91-K93 VanDerWaalsContact C-N 3.31Å; A91-K93 PolarHBondContact O-N 3.49Å; A91-T94 WeakPolarHBondContact O-CB 3.49Å; A91-T94 PolarHBondContact O-N 3.28Å; A91-T94 PolarHBondContact O-OG1 2.83Å
92F96.3Very high94.4Very high20 Ų2080.5 Ų80.59%0.08842%0.424CS..Hα-helixtrans-67.3-31.5-179.4-84.5-73.5000113.2Y88 T94 F95 D96 I103 V111 Y143 L146 I147Y88-F92 WeakPolarHBondContact O-CD2 3.46Å; Y88-F92 PolarHBondContact O-N 3.08Å; F92-T94 PolarHBondContact O-N 3.01Å; F92-T94 VanDerWaalsContact O-N 3.13Å; F92-F95 PolarHBondContact O-N 3.43Å; F92-D96 PolarHBondContact O-N 3.43Å; F92-I103 HydrophobicContact CD1-CD1 3.7Å; F92-I103 HydrophobicContact CE1-CD1 3.88Å; F92-V111 HydrophobicContact CE1-CG1 4.1Å; F92-V111 HydrophobicContact CZ-CG1 4.43Å; F92-Y143 HydrophobicContact CB-CD1 4.41Å; F92-Y143 HydrophobicContact CB-CD2 3.52Å; F92-Y143 HydrophobicContact CB-CE2 4.03Å; F92-Y143 HydrophobicContact CB-CG 3.74Å; F92-Y143 HydrophobicContact CG-CD2 4.28Å; F92-Y143 HydrophobicContact CG-CG 4.24Å; F92-L146 HydrophobicContact CE1-CD2 4.22Å; F92-L146 HydrophobicContact CE2-CD2 4.05Å; F92-L146 HydrophobicContact CZ-CD2 3.57Å; F92-I147 HydrophobicContact CD2-CD1 3.77Å; F92-I147 HydrophobicContact CD2-CG1 4.01Å; F92-I147 HydrophobicContact CE2-CD1 4.42Å; F92-I147 HydrophobicContact CE2-CG1 4.15Å
93K96.1Very high95.2Very high134 Ų13477 Ų7758%0.58340%0.402SS*.Hα-helixtrans-58.7-25.3175-172.3178.8-174.2-176.70113M89 E90 A91 F95 D96M89-K93 VanDerWaalsContact O-CB 3.25Å; M89-K93 WeakPolarHBondContact O-CB 2.98Å; M89-K93 PolarHBondContact O-N 2.97Å; E90-K93 PolarHBondContact O-N 2.9Å; A91-K93 VanDerWaalsContact C-N 3.31Å; A91-K93 PolarHBondContact O-N 3.49Å; K93-F95 PolarHBondContact O-N 3.28Å; K93-D96 PolarHBondContact O-N 3.28Å
94T95.3Very high95.5Very high108 Ų10877.3 Ų77.366%0.66340%0.399SS*.THydrogen-bonded Turntrans-66.3-19.7176.2690000113.7A91 F92A91-T94 WeakPolarHBondContact O-CB 3.49Å; A91-T94 PolarHBondContact O-N 3.28Å; A91-T94 PolarHBondContact O-OG1 2.83Å; F92-T94 PolarHBondContact O-N 3.01Å; F92-T94 VanDerWaalsContact O-N 3.13Å
95F94.9Very high95.5Very high40 Ų4074.8 Ų74.818%0.17539%0.386CS..THydrogen-bonded Turntrans-98-19.3176.7-59.1-82.6000112.5F92 K93 R97 I103 E107 V111 Y115F92-F95 PolarHBondContact O-N 3.43Å; K93-F95 PolarHBondContact O-N 3.28Å; F95-R97 PolarHBondContact O-N 3.17Å; F95-I103 HydrophobicContact CB-CG2 3.9Å; F95-E107 HydrophobicContact CB-CG 4.15Å; F95-E107 HydrophobicContact CD1-CG 4.12Å; F95-E107 HydrophobicContact CG-CG 4.44Å; F95-V111 HydrophobicContact CD1-CG2 3.79Å; F95-V111 HydrophobicContact CD2-CG2 3.73Å; F95-V111 HydrophobicContact CE1-CG2 3.61Å; F95-V111 HydrophobicContact CE2-CG1 4.2Å; F95-V111 HydrophobicContact CE2-CG2 3.55Å; F95-V111 HydrophobicContact CG-CG2 3.86Å; F95-V111 HydrophobicContact CZ-CG1 4.5Å; F95-V111 HydrophobicContact CZ-CG2 3.5Å; F95-V111 VanDerWaalsContact CZ-CG2 3.5Å; F95-Y115 HydrophobicContact CE1-CE2 4.36Å; F95-Y115 HydrophobicContact CZ-CE2 4.24Å
96D95.9Very high95.4Very high14 Ų1474.2 Ų74.28%0.07540%0.399CS..  trans-79.380.2177.2-177.95.4000111.4F92 K93 E98 G99 Q100 G101 I103 Y143F92-D96 PolarHBondContact O-N 3.43Å; K93-D96 PolarHBondContact O-N 3.28Å; D96-E98 PolarHBondContact O-N 3.16Å; D96-G99 PolarHBondContact O-N 3.02Å; D96-G99 WeakPolarHBondContact OD1-CA 3.37Å; D96-G99 PolarHBondContact OD1-N 2.78Å; D96-G99 WeakPolarHBondContact OD2-CA 3.5Å; D96-Q100 PolarHBondContact OD1-N 3.09Å; D96-Q100 PolarHBondContact OD2-N 2.84Å; D96-G101 VanDerWaalsContact OD2-CA 3.32Å; D96-G101 WeakPolarHBondContact OD2-CA 3.41Å; D96-G101 PolarHBondContact OD2-N 3.42Å; D96-I103 HydrophobicContact CB-CG2 4.38Å; D96-Y143 HydrophobicContact CB-CE1 3.72Å; D96-Y143 WeakPolarHBondContact OD2-CE1 3.35Å; D96-Y143 PolarHBondContact OD2-OH 2.9Å
97R91.6Very high95.3Very high211 Ų21173.8 Ų73.880%0.79639%0.388SS*.THydrogen-bonded Turntrans-59.9-33.9-175.9-63.4-177.8-172.2161.58.6113.4F95 E107F95-R97 PolarHBondContact O-N 3.17Å; R97-E107 IonicContact NH2-OE1 3.96Å
98E92.8Very high95.2Very high151 Ų15170.1 Ų70.171%0.70637%0.368SS*.THydrogen-bonded Turntrans-88.2-12.6-177.1-56.7-57.1136.100112.3D96 Q100D96-E98 PolarHBondContact O-N 3.16Å; E98-Q100 VanDerWaalsContact C-N 3.28Å; E98-Q100 HydrophobicContact CB-CG 3.9Å; E98-Q100 PolarHBondContact O-N 3.2Å
99G94.7Very high95.1Very high57 Ų5769.1 Ų69.159%0.58836%0.364SS*.SBendtrans66.927.7-178.900000113.6D96D96-G99 PolarHBondContact O-N 3.02Å; D96-G99 WeakPolarHBondContact OD1-CA 3.37Å; D96-G99 PolarHBondContact OD1-N 2.78Å; D96-G99 WeakPolarHBondContact OD2-CA 3.5Å
100Q94.9Very high95Very high142 Ų14271.6 Ų71.666%0.66437%0.374SS*.SBendtrans-96.5-6.2-173.5-67.1-174.3-32.900113.6D96 E98 F102D96-Q100 PolarHBondContact OD1-N 3.09Å; D96-Q100 PolarHBondContact OD2-N 2.84Å; E98-Q100 VanDerWaalsContact C-N 3.28Å; E98-Q100 HydrophobicContact CB-CG 3.9Å; E98-Q100 PolarHBondContact O-N 3.2Å; Q100-F102 HydrophobicContact CB-CD2 4.02Å; Q100-F102 VanDerWaalsContact O-CD2 3.28Å; Q100-F102 WeakPolarHBondContact O-CD2 3.33Å; Q100-F102 WeakPolarHBondContact O-CE2 3.29Å
101G96.2Very high95Very high15 Ų1566.1 Ų66.116%0.15535%0.35CS..SBendtrans91.414.2-175.500000114.2D96 K142 Y143D96-G101 VanDerWaalsContact OD2-CA 3.32Å; D96-G101 WeakPolarHBondContact OD2-CA 3.41Å; D96-G101 PolarHBondContact OD2-N 3.42Å; G101-K142 WeakPolarHBondContact O-CA 3.46Å; G101-Y143 WeakPolarHBondContact O-CD1 3.38Å; G101-Y143 VanDerWaalsContact O-CE1 3.32Å; G101-Y143 WeakPolarHBondContact O-CE1 3.42Å
102F96.4Very high95Very high75 Ų7565.6 Ų65.633%0.32934%0.34SS..EExtended strand (participates in β ladder)trans-127.7149.1-174.9-63.1-89.9000112.2Q100 N140 I141 K142Q100-F102 HydrophobicContact CB-CD2 4.02Å; Q100-F102 VanDerWaalsContact O-CD2 3.28Å; Q100-F102 WeakPolarHBondContact O-CD2 3.33Å; Q100-F102 WeakPolarHBondContact O-CE2 3.29Å; F102-N140 HydrophobicContact CB-CB 4.19Å; F102-N140 HydrophobicContact CD1-CB 4.26Å; F102-I141 WeakPolarHBondContact CA-O 3.39Å; F102-K142 HydrophobicContact CD1-CB 4.08Å; F102-K142 HydrophobicContact CE1-CB 3.82Å; F102-K142 HydrophobicContact CE1-CG 4.27Å
103I96.3Very high95Very high4 Ų466.4 Ų66.42%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-135.4154.9165.359.4174.8000108.8F92 F95 D96 M108 N140 I141 Y143F92-I103 HydrophobicContact CD1-CD1 3.7Å; F92-I103 HydrophobicContact CE1-CD1 3.88Å; F95-I103 HydrophobicContact CB-CG2 3.9Å; D96-I103 HydrophobicContact CB-CG2 4.38Å; I103-M108 HydrophobicContact CD1-CB 3.65Å; I103-M108 HydrophobicContact CD1-CE 3.83Å; I103-M108 HydrophobicContact CD1-CG 4.26Å; I103-M108 HydrophobicContact CG1-CB 4.17Å; I103-M108 HydrophobicContact CG1-CE 3.99Å; I103-N140 WeakPolarHBondContact O-CA 3.24Å; I103-I141 PolarHBondContact N-O 3.01Å; I103-I141 PolarHBondContact O-N 3.12Å; I103-Y143 HydrophobicContact CG1-CD1 4.38Å; I103-Y143 HydrophobicContact CG2-CD1 4.03Å; I103-Y143 HydrophobicContact CG2-CE1 4.38Å
104S95.2Very high95Very high41 Ų4161.3 Ų61.329%0.28733%0.332SS..EExtended strand (participates in β ladder)trans-64.7151.6174.569.80000111A106 E107 M108S104-A106 PolarHBondContact O-N 3.2Å; S104-E107 PolarHBondContact O-N 3.42Å; S104-E107 VanDerWaalsContact OG-CB 3.26Å; S104-E107 WeakPolarHBondContact OG-CB 3.33Å; S104-E107 PolarHBondContact OG-N 3.34Å; S104-M108 PolarHBondContact O-N 3.48Å
105A93.6Very high94.9Very high19 Ų1962.3 Ų62.316%0.15733%0.325CS..Hα-helixtrans-57.6-35.5174.200000112.8M108 R109 E135 G139 I141A105-M108 PolarHBondContact O-N 3.14Å; A105-R109 WeakPolarHBondContact O-CB 3.33Å; A105-R109 PolarHBondContact O-N 3.13Å; A105-E135 HydrophobicContact CB-CG 3.8Å; A105-E135 WeakPolarHBondContact CB-OE1 3.47Å; A105-G139 PolarHBondContact N-O 3.33Å; A105-I141 HydrophobicContact CB-CD1 3.71Å; A105-I141 HydrophobicContact CB-CG1 4.15Å
106A93.8Very high94.9Very high72 Ų7264 Ų6460%0.59535%0.353SS*.Hα-helixtrans-63.7-42174.600000112.1S104 R109 H110S104-A106 PolarHBondContact O-N 3.2Å; A106-R109 PolarHBondContact O-N 3.44Å; A106-H110 WeakPolarHBondContact O-CB 3.38Å; A106-H110 PolarHBondContact O-N 2.94Å
107E94.6Very high94.7Very high45 Ų4567.2 Ų67.221%0.2137%0.368CS..Hα-helixtrans-69.9-40.8177.3-168.8151.9-141.600111.3F95 R97 S104 R109 H110 V111F95-E107 HydrophobicContact CB-CG 4.15Å; F95-E107 HydrophobicContact CD1-CG 4.12Å; F95-E107 HydrophobicContact CG-CG 4.44Å; R97-E107 IonicContact NH2-OE1 3.96Å; S104-E107 PolarHBondContact O-N 3.42Å; S104-E107 VanDerWaalsContact OG-CB 3.26Å; S104-E107 WeakPolarHBondContact OG-CB 3.33Å; S104-E107 PolarHBondContact OG-N 3.34Å; E107-R109 VanDerWaalsContact C-N 3.35Å; E107-R109 PolarHBondContact O-N 3.21Å; E107-H110 WeakPolarHBondContact O-CB 3.32Å; E107-H110 PolarHBondContact O-N 3.09Å; E107-V111 VanDerWaalsContact O-CG2 3.29Å; E107-V111 WeakPolarHBondContact O-CG2 3.44Å; E107-V111 PolarHBondContact O-N 3.36Å
108M94.5Very high95Very high0 Ų065.4 Ų65.40%036%0.361CS..Hα-helixtrans-56.2-49.2172.6-178.6167.4-7200111.7I103 S104 A105 H110 V111 L112 L128 L133 I141 L146I103-M108 HydrophobicContact CD1-CB 3.65Å; I103-M108 HydrophobicContact CD1-CE 3.83Å; I103-M108 HydrophobicContact CD1-CG 4.26Å; I103-M108 HydrophobicContact CG1-CB 4.17Å; I103-M108 HydrophobicContact CG1-CE 3.99Å; S104-M108 PolarHBondContact O-N 3.48Å; A105-M108 PolarHBondContact O-N 3.14Å; M108-H110 PolarHBondContact O-N 3.42Å; M108-V111 PolarHBondContact O-N 3.2Å; M108-L112 HydrophobicContact CG-CD1 4.21Å; M108-L112 WeakPolarHBondContact O-CG 3.37Å; M108-L112 PolarHBondContact O-N 3.25Å; M108-L112 VanDerWaalsContact O-N 3.13Å; M108-L128 HydrophobicContact SD-CD2 4.02Å; M108-L133 HydrophobicContact CE-CD2 4.45Å; M108-L133 HydrophobicContact SD-CD2 4.06Å; M108-I141 HydrophobicContact CE-CB 3.79Å; M108-I141 HydrophobicContact CE-CD1 4.36Å; M108-I141 HydrophobicContact CE-CG2 3.34Å; M108-I141 HydrophobicContact SD-CB 4.26Å; M108-I141 HydrophobicContact SD-CD1 3.67Å; M108-I141 HydrophobicContact SD-CG2 3.82Å; M108-L146 HydrophobicContact CE-CB 4.12Å; M108-L146 HydrophobicContact CE-CD2 3.69Å; M108-L146 HydrophobicContact CE-CG 4.39Å; M108-L146 HydrophobicContact CG-CD2 4.35Å; M108-L146 HydrophobicContact SD-CD1 4.21Å; M108-L146 HydrophobicContact SD-CD2 3.81Å; M108-L146 HydrophobicContact SD-CG 4.42Å
109R95.2Very high95.2Very high70 Ų7060.7 Ų60.726%0.26434%0.34SS..Hα-helixtrans-60.5-46.2176.3-178176-63.5-82.4-5.6111.3A105 A106 E107 V111 L112 T113 D121 V124 D125A105-R109 WeakPolarHBondContact O-CB 3.33Å; A105-R109 PolarHBondContact O-N 3.13Å; A106-R109 PolarHBondContact O-N 3.44Å; E107-R109 VanDerWaalsContact C-N 3.35Å; E107-R109 PolarHBondContact O-N 3.21Å; R109-V111 VanDerWaalsContact C-N 3.26Å; R109-V111 PolarHBondContact O-N 3.03Å; R109-L112 PolarHBondContact O-N 3.35Å; R109-T113 HydrophobicContact CG-CG2 4.2Å; R109-T113 WeakPolarHBondContact O-CG2 3.34Å; R109-T113 PolarHBondContact O-N 3.18Å; R109-T113 PolarHBondContact O-OG1 2.97Å; R109-D121 WeakPolarHBondContact CD-OD1 3.15Å; R109-D121 IonicContact CZ-OD1 3.49Å; R109-D121 PolarHBondContact NH1-O 3.12Å; R109-D121 IonicContact NH1-OD1 3.07Å; R109-D121 PolarHBondContact NH1-OD1 3.28Å; R109-V124 HydrophobicContact CG-CG1 4.45Å; R109-D125 IonicContact CZ-OD1 2.65Å; R109-D125 IonicContact NH1-OD1 3.95Å; R109-D125 PolarHBondContact NH1-OD1 2.91Å; R109-D125 IonicContact NH2-OD1 2.96Å; R109-D125 PolarHBondContact NH2-OD1 3.22Å
110H95.1Very high95.3Very high98 Ų9864.3 Ų64.345%0.45434%0.342SS..Hα-helixtrans-58.4-38.7178-179.163000112.6A106 E107 M108 G114 Y115A106-H110 WeakPolarHBondContact O-CB 3.38Å; A106-H110 PolarHBondContact O-N 2.94Å; E107-H110 WeakPolarHBondContact O-CB 3.32Å; E107-H110 PolarHBondContact O-N 3.09Å; M108-H110 PolarHBondContact O-N 3.42Å; H110-G114 VanDerWaalsContact O-CA 3.3Å; H110-G114 WeakPolarHBondContact O-CA 3.31Å; H110-G114 PolarHBondContact O-N 3.09Å; H110-Y115 AromaticContact NE2-CE2 3.9Å
111V94.8Very high95.3Very high22 Ų2261.5 Ų61.513%0.13333%0.331CS..Hα-helixtrans-62.4-50.3175.6172.90000110.8F92 F95 E107 M108 R109 T113 Y115F92-V111 HydrophobicContact CE1-CG1 4.1Å; F92-V111 HydrophobicContact CZ-CG1 4.43Å; F95-V111 HydrophobicContact CD1-CG2 3.79Å; F95-V111 HydrophobicContact CD2-CG2 3.73Å; F95-V111 HydrophobicContact CE1-CG2 3.61Å; F95-V111 HydrophobicContact CE2-CG1 4.2Å; F95-V111 HydrophobicContact CE2-CG2 3.55Å; F95-V111 HydrophobicContact CG-CG2 3.86Å; F95-V111 HydrophobicContact CZ-CG1 4.5Å; F95-V111 HydrophobicContact CZ-CG2 3.5Å; F95-V111 VanDerWaalsContact CZ-CG2 3.5Å; E107-V111 VanDerWaalsContact O-CG2 3.29Å; E107-V111 WeakPolarHBondContact O-CG2 3.44Å; E107-V111 PolarHBondContact O-N 3.36Å; M108-V111 PolarHBondContact O-N 3.2Å; R109-V111 VanDerWaalsContact C-N 3.26Å; R109-V111 PolarHBondContact O-N 3.03Å; V111-T113 PolarHBondContact O-N 3.07Å; V111-Y115 PolarHBondContact O-N 3.45Å
112L95.9Very high95.4Very high39 Ų3965.1 Ų65.120%0.20435%0.353CS..Hα-helixtrans-70-30.1-174.9-65.7175.3000113.7M108 R109 L119 V124M108-L112 HydrophobicContact CG-CD1 4.21Å; M108-L112 WeakPolarHBondContact O-CG 3.37Å; M108-L112 PolarHBondContact O-N 3.25Å; M108-L112 VanDerWaalsContact O-N 3.13Å; R109-L112 PolarHBondContact O-N 3.35Å; L112-L119 HydrophobicContact CB-CD1 4.42Å; L112-L119 PolarHBondContact O-N 3.27Å; L112-V124 HydrophobicContact CB-CG2 3.89Å; L112-V124 HydrophobicContact CD1-CG1 4Å; L112-V124 HydrophobicContact CD1-CG2 4.34Å
113T97.5Very high95.4Very high38 Ų3866.1 Ų66.123%0.23336%0.358CS..Hα-helixtrans-98-18.8179.8650000113.4R109 V111 R118 L119 V124R109-T113 HydrophobicContact CG-CG2 4.2Å; R109-T113 WeakPolarHBondContact O-CG2 3.34Å; R109-T113 PolarHBondContact O-N 3.18Å; R109-T113 PolarHBondContact O-OG1 2.97Å; V111-T113 PolarHBondContact O-N 3.07Å; T113-R118 WeakPolarHBondContact O-CB 3.44Å; T113-R118 VanDerWaalsContact O-CD 3.31Å; T113-R118 WeakPolarHBondContact O-CD 3.5Å; T113-R118 VanDerWaalsContact O-CG 3.29Å; T113-R118 WeakPolarHBondContact O-CG 3.38Å; T113-L119 WeakPolarHBondContact CA-O 3.41Å; T113-L119 WeakPolarHBondContact CG2-O 3.47Å; T113-V124 HydrophobicContact CG2-CG2 3.75Å
114G95.2Very high95.3Very high26 Ų2665.9 Ų65.927%0.26836%0.357SS..Hα-helixtrans-94.3-34.2-174.200000114.9H110 R118H110-G114 VanDerWaalsContact O-CA 3.3Å; H110-G114 WeakPolarHBondContact O-CA 3.31Å; H110-G114 PolarHBondContact O-N 3.09Å; G114-R118 PolarHBondContact O-NE 2.96Å
115Y94Very high95.3Very high130 Ų13067.9 Ų67.951%0.5136%0.364SS..SBendtrans-116.8152.4-167.1-61.6-92.1000113F95 H110 V111F95-Y115 HydrophobicContact CE1-CE2 4.36Å; F95-Y115 HydrophobicContact CZ-CE2 4.24Å; H110-Y115 AromaticContact NE2-CE2 3.9Å; V111-Y115 PolarHBondContact O-N 3.45Å
116G93.7Very high95.3Very high75 Ų7569.6 Ų69.677%0.77338%0.379SS*.SBendtrans64.1-140.2175.400000113.9R118G116-R118 PolarHBondContact O-N 3.36Å
117E93.6Very high95.3Very high81 Ų8168.9 Ų68.938%0.37936%0.364SS..SBendtrans-79.591.9169.9-66.9178173.100108.2T46 I47 A48T46-E117 WeakPolarHBondContact CA-OE2 3.2Å; T46-E117 WeakPolarHBondContact CB-OE1 3.44Å; T46-E117 WeakPolarHBondContact CB-OE2 3.48Å; I47-E117 WeakPolarHBondContact CA-OE1 3.32Å; I47-E117 HydrophobicContact CB-CG 4.44Å; I47-E117 WeakPolarHBondContact CB-OE1 3.31Å; I47-E117 HydrophobicContact CD1-CB 4.28Å; I47-E117 HydrophobicContact CD1-CG 4.44Å; I47-E117 WeakPolarHBondContact CG1-OE2 3.27Å; I47-E117 PolarHBondContact N-OE1 3.31Å; I47-E117 PolarHBondContact N-OE2 3.3Å; A48-E117 PolarHBondContact N-OE1 3.23Å
118R96.4Very high95.2Very high174 Ų17468.3 Ų68.366%0.65736%0.362SS*.PPolyproline II helixtrans-63.7136.3-168.1-61173.8-177.5160.64111.5T113 G114 G116T113-R118 WeakPolarHBondContact O-CB 3.44Å; T113-R118 VanDerWaalsContact O-CD 3.31Å; T113-R118 WeakPolarHBondContact O-CD 3.5Å; T113-R118 VanDerWaalsContact O-CG 3.29Å; T113-R118 WeakPolarHBondContact O-CG 3.38Å; G114-R118 PolarHBondContact O-NE 2.96Å; G116-R118 PolarHBondContact O-N 3.36Å
119L96.7Very high95.1Very high51 Ų5176.7 Ų76.727%0.26740%0.399SS..PPolyproline II helixtrans-85.5151.3166.1-60.9-179.2000110.4L112 T113 E123 V124 I127L112-L119 HydrophobicContact CB-CD1 4.42Å; L112-L119 PolarHBondContact O-N 3.27Å; T113-L119 WeakPolarHBondContact CA-O 3.41Å; T113-L119 WeakPolarHBondContact CG2-O 3.47Å; L119-E123 WeakPolarHBondContact CA-OE2 3.23Å; L119-E123 HydrophobicContact CB-CB 4.29Å; L119-V124 HydrophobicContact CB-CG2 3.86Å; L119-V124 HydrophobicContact CD1-CG2 4.22Å; L119-I127 HydrophobicContact CD1-CD1 3.55Å
120E97.1Very high95Very high133 Ų13379.7 Ų79.762%0.62141%0.414SS*.PPolyproline II helixtrans-80.9152.4167.5-60.9-63.7159.300110.2P122 E123 V124E120-P122 VanDerWaalsContact C-CD 3.44Å; E120-P122 VanDerWaalsContact C-N 3.32Å; E120-E123 HydrophobicContact CB-CG 4.21Å; E120-E123 PolarHBondContact N-OE2 2.89Å; E120-E123 WeakPolarHBondContact O-CA 3.38Å; E120-E123 WeakPolarHBondContact O-CB 3.41Å; E120-E123 PolarHBondContact O-N 3.01Å; E120-V124 PolarHBondContact O-N 3.32Å; E120-V124 VanDerWaalsContact O-N 3.1Å
121D96.2Very high95Very high83 Ų8376 Ų7644%0.44440%0.397SS..Hα-helixtrans-51.1-42.9180-86.2-47.5000114.2R109 E123 V124 D125R109-D121 WeakPolarHBondContact CD-OD1 3.15Å; R109-D121 IonicContact CZ-OD1 3.49Å; R109-D121 PolarHBondContact NH1-O 3.12Å; R109-D121 IonicContact NH1-OD1 3.07Å; R109-D121 PolarHBondContact NH1-OD1 3.28Å; D121-E123 VanDerWaalsContact C-N 3.27Å; D121-E123 PolarHBondContact O-N 2.94Å; D121-V124 PolarHBondContact O-N 3.07Å; D121-D125 PolarHBondContact O-N 3.37Å
122P97.1Very high94.9Very high92 Ų9279.1 Ų79.160%0.59741%0.414SS*.Hα-helixtrans-64.2-28.9175.9-23.135.4000114E120 A126E120-P122 VanDerWaalsContact C-CD 3.44Å; E120-P122 VanDerWaalsContact C-N 3.32Å; P122-A126 WeakPolarHBondContact O-CB 3.41Å; P122-A126 PolarHBondContact O-N 3.26Å
123E96Very high94.7Very high95 Ų9578.3 Ų78.344%0.44441%0.409SS..Hα-helixtrans-73.2-41.2177.1-60.8178134.900110.4L119 E120 D121 D125 A126 I127L119-E123 WeakPolarHBondContact CA-OE2 3.23Å; L119-E123 HydrophobicContact CB-CB 4.29Å; E120-E123 HydrophobicContact CB-CG 4.21Å; E120-E123 PolarHBondContact N-OE2 2.89Å; E120-E123 WeakPolarHBondContact O-CA 3.38Å; E120-E123 WeakPolarHBondContact O-CB 3.41Å; E120-E123 PolarHBondContact O-N 3.01Å; D121-E123 VanDerWaalsContact C-N 3.27Å; D121-E123 PolarHBondContact O-N 2.94Å; E123-D125 VanDerWaalsContact C-N 3.34Å; E123-D125 PolarHBondContact O-N 2.79Å; E123-A126 PolarHBondContact O-N 3.41Å; E123-I127 VanDerWaalsContact O-CG1 3.31Å; E123-I127 WeakPolarHBondContact O-CG1 3.41Å; E123-I127 PolarHBondContact O-N 3.41Å
124V95.4Very high94.4Very high0 Ų085 Ų850%043%0.43CS..Hα-helixtrans-59.4-46.9172.4178.60000110.3R109 L112 T113 L119 E120 D121 A126 I127 L128R109-V124 HydrophobicContact CG-CG1 4.45Å; L112-V124 HydrophobicContact CB-CG2 3.89Å; L112-V124 HydrophobicContact CD1-CG1 4Å; L112-V124 HydrophobicContact CD1-CG2 4.34Å; T113-V124 HydrophobicContact CG2-CG2 3.75Å; L119-V124 HydrophobicContact CB-CG2 3.86Å; L119-V124 HydrophobicContact CD1-CG2 4.22Å; E120-V124 PolarHBondContact O-N 3.32Å; E120-V124 VanDerWaalsContact O-N 3.1Å; D121-V124 PolarHBondContact O-N 3.07Å; V124-A126 VanDerWaalsContact C-N 3.31Å; V124-A126 PolarHBondContact O-N 3.17Å; V124-I127 PolarHBondContact O-N 3.46Å; V124-L128 HydrophobicContact CG1-CD1 3.93Å; V124-L128 HydrophobicContact CG1-CG 4.28Å; V124-L128 WeakPolarHBondContact O-CG 3.42Å; V124-L128 PolarHBondContact O-N 2.86Å
125D94.4Very high94.3Very high82 Ų8289.2 Ų89.244%0.43944%0.443SS..Hα-helixtrans-59.3-43.3177.2-69.3-10.8000112R109 D121 E123 K129R109-D125 IonicContact CZ-OD1 2.65Å; R109-D125 IonicContact NH1-OD1 3.95Å; R109-D125 PolarHBondContact NH1-OD1 2.91Å; R109-D125 IonicContact NH2-OD1 2.96Å; R109-D125 PolarHBondContact NH2-OD1 3.22Å; D121-D125 PolarHBondContact O-N 3.37Å; E123-D125 VanDerWaalsContact C-N 3.34Å; E123-D125 PolarHBondContact O-N 2.79Å; D125-K129 VanDerWaalsContact O-CB 3.23Å; D125-K129 WeakPolarHBondContact O-CB 3.08Å; D125-K129 PolarHBondContact O-N 2.9Å
126A94.6Very high94.2Very high56 Ų5686.1 Ų86.146%0.46344%0.435SS..Hα-helixtrans-62.5-44.217800000111.7P122 E123 V124 F130P122-A126 WeakPolarHBondContact O-CB 3.41Å; P122-A126 PolarHBondContact O-N 3.26Å; E123-A126 PolarHBondContact O-N 3.41Å; V124-A126 VanDerWaalsContact C-N 3.31Å; V124-A126 PolarHBondContact O-N 3.17Å; A126-F130 WeakPolarHBondContact O-CB 2.99Å; A126-F130 PolarHBondContact O-N 3.14Å
127I93.4Very high94.3Very high57 Ų5791.2 Ų91.229%0.29244%0.444SS..Hα-helixtrans-62.6-53.3178-68.8164.8000110.4L119 E123 V124 K129 F130 I131 V150L119-I127 HydrophobicContact CD1-CD1 3.55Å; E123-I127 VanDerWaalsContact O-CG1 3.31Å; E123-I127 WeakPolarHBondContact O-CG1 3.41Å; E123-I127 PolarHBondContact O-N 3.41Å; V124-I127 PolarHBondContact O-N 3.46Å; I127-K129 VanDerWaalsContact C-N 3.28Å; I127-K129 PolarHBondContact O-N 3.4Å; I127-F130 WeakPolarHBondContact O-CB 3.45Å; I127-F130 PolarHBondContact O-N 2.93Å; I127-I131 HydrophobicContact CG2-CD1 4.4Å; I127-I131 WeakPolarHBondContact O-CG1 3.49Å; I127-I131 PolarHBondContact O-N 3.12Å; I127-V150 HydrophobicContact CG2-CG2 4.2Å
128L92.7Very high94.3Very high32 Ų3293.9 Ų93.917%0.16846%0.461CS..Hα-helixtrans-59.4-41-177-67.1178.2000111.8M108 V124 D132 L133 L146M108-L128 HydrophobicContact SD-CD2 4.02Å; V124-L128 HydrophobicContact CG1-CD1 3.93Å; V124-L128 HydrophobicContact CG1-CG 4.28Å; V124-L128 WeakPolarHBondContact O-CG 3.42Å; V124-L128 PolarHBondContact O-N 2.86Å; L128-D132 PolarHBondContact O-N 3.09Å; L128-L133 HydrophobicContact CD2-CB 4.35Å; L128-L133 HydrophobicContact CD2-CD2 3.8Å; L128-L133 PolarHBondContact O-N 2.49Å; L128-L133 VanDerWaalsContact O-N 3.12Å; L128-L146 HydrophobicContact CD2-CD1 4.14Å
129K93.1Very high94.2Very high177 Ų17786.5 Ų86.577%0.7744%0.439SS*.Hα-helixtrans-65.3-44.5173.8-178.8179.7177.7-178.20112.1D125 I127 I131 D132D125-K129 VanDerWaalsContact O-CB 3.23Å; D125-K129 WeakPolarHBondContact O-CB 3.08Å; D125-K129 PolarHBondContact O-N 2.9Å; I127-K129 VanDerWaalsContact C-N 3.28Å; I127-K129 PolarHBondContact O-N 3.4Å; K129-I131 VanDerWaalsContact C-N 3.31Å; K129-I131 PolarHBondContact O-N 2.93Å; K129-D132 PolarHBondContact O-N 3.06Å
130F93Very high94.1Very high133 Ų13386.4 Ų86.458%0.58344%0.439SS*.Hα-helixtrans-61.4-40.7-176.3-179.2-96.6000112.1A126 I127 D132 P154A126-F130 WeakPolarHBondContact O-CB 2.99Å; A126-F130 PolarHBondContact O-N 3.14Å; I127-F130 WeakPolarHBondContact O-CB 3.45Å; I127-F130 PolarHBondContact O-N 2.93Å; F130-D132 VanDerWaalsContact C-N 3.34Å; F130-P154 HydrophobicContact CE1-CB 3.94Å; F130-P154 HydrophobicContact CZ-CB 3.45Å; F130-P154 VanDerWaalsContact CZ-CB 3.45Å
131I94Very high94Very high19 Ų1980.3 Ų80.310%0.09741%0.41CS..THydrogen-bonded Turntrans-88.73.5-179.569.5-180000113.4I127 K129 L133 L146 K149 V150I127-I131 HydrophobicContact CG2-CD1 4.4Å; I127-I131 WeakPolarHBondContact O-CG1 3.49Å; I127-I131 PolarHBondContact O-N 3.12Å; K129-I131 VanDerWaalsContact C-N 3.31Å; K129-I131 PolarHBondContact O-N 2.93Å; I131-L133 VanDerWaalsContact C-N 3.26Å; I131-L133 HydrophobicContact CD1-CB 3.85Å; I131-L133 HydrophobicContact CD1-CD2 4.11Å; I131-L133 HydrophobicContact CG1-CB 3.77Å; I131-L133 PolarHBondContact O-N 2.8Å; I131-L146 HydrophobicContact CD1-CD1 3.6Å; I131-K149 HydrophobicContact CB-CB 3.92Å; I131-K149 HydrophobicContact CB-CD 4.04Å; I131-K149 HydrophobicContact CD1-CB 4.39Å; I131-K149 HydrophobicContact CG1-CD 4.48Å; I131-K149 HydrophobicContact CG2-CB 4.15Å; I131-K149 WeakPolarHBondContact O-CD 3.41Å; I131-K149 WeakPolarHBondContact O-CE 3.39Å; I131-K149 PolarHBondContact O-NZ 3.07Å; I131-V150 HydrophobicContact CD1-CG2 4.18Å
132D93Very high94Very high89 Ų8980.1 Ų80.148%0.47641%0.405SS..THydrogen-bonded Turntrans45.351.1-173.2-171.729.4000111.6L128 K129 F130 R134 K149L128-D132 PolarHBondContact O-N 3.09Å; K129-D132 PolarHBondContact O-N 3.06Å; F130-D132 VanDerWaalsContact C-N 3.34Å; D132-R134 IonicContact OD1-CZ 2.7Å; D132-R134 IonicContact OD1-NE 3.2Å; D132-R134 PolarHBondContact OD1-NE 3.43Å; D132-R134 IonicContact OD1-NH2 3.89Å; D132-R134 PolarHBondContact OD1-NH2 2.7Å; D132-R134 VanDerWaalsContact OD1-NH2 3.12Å; D132-R134 IonicContact OD2-CZ 2.93Å; D132-R134 IonicContact OD2-NE 3.22Å; D132-R134 IonicContact OD2-NH2 2.65Å; D132-R134 PolarHBondContact OD2-NH2 2.83Å; D132-K149 PolarHBondContact O-NZ 2.81Å
133L91.5Very high93.9Very high21 Ų2176.3 Ų76.311%0.1138%0.379CS..  trans-85.6129.2174.8-167.165.4000108.9M108 L128 I131 I141 E145 L146M108-L133 HydrophobicContact CE-CD2 4.45Å; M108-L133 HydrophobicContact SD-CD2 4.06Å; L128-L133 HydrophobicContact CD2-CB 4.35Å; L128-L133 HydrophobicContact CD2-CD2 3.8Å; L128-L133 PolarHBondContact O-N 2.49Å; L128-L133 VanDerWaalsContact O-N 3.12Å; I131-L133 VanDerWaalsContact C-N 3.26Å; I131-L133 HydrophobicContact CD1-CB 3.85Å; I131-L133 HydrophobicContact CD1-CD2 4.11Å; I131-L133 HydrophobicContact CG1-CB 3.77Å; I131-L133 PolarHBondContact O-N 2.8Å; L133-I141 HydrophobicContact CD1-CG2 4.1Å; L133-I141 HydrophobicContact CD2-CG2 3.36Å; L133-I141 HydrophobicContact CG-CG2 3.7Å; L133-E145 HydrophobicContact CD1-CB 3.91Å; L133-E145 HydrophobicContact CD1-CG 3.77Å; L133-L146 HydrophobicContact CD2-CB 3.73Å; L133-L146 HydrophobicContact CD2-CD1 3.71Å; L133-L146 HydrophobicContact CD2-CG 4.32Å
134R90.4Very high94Very high178 Ų17874 Ų7467%0.67237%0.368SS*.  trans-119.2144.9-174.9-59.8-173.1-173.8-171.15.5110.7D132D132-R134 IonicContact OD1-CZ 2.7Å; D132-R134 IonicContact OD1-NE 3.2Å; D132-R134 PolarHBondContact OD1-NE 3.43Å; D132-R134 IonicContact OD1-NH2 3.89Å; D132-R134 PolarHBondContact OD1-NH2 2.7Å; D132-R134 VanDerWaalsContact OD1-NH2 3.12Å; D132-R134 IonicContact OD2-CZ 2.93Å; D132-R134 IonicContact OD2-NE 3.22Å; D132-R134 IonicContact OD2-NH2 2.65Å; D132-R134 PolarHBondContact OD2-NH2 2.83Å
135E93.8Very high94Very high115 Ų11577.6 Ų77.654%0.53739%0.385SS..  trans-74.2148.5167.4-63174.1-146.500109.9A105 G139 N140 I141A105-E135 HydrophobicContact CB-CG 3.8Å; A105-E135 WeakPolarHBondContact CB-OE1 3.47Å; E135-G139 WeakPolarHBondContact OE2-CA 3.38Å; E135-N140 CarbonylContact C-O 3.55Å; E135-N140 VanDerWaalsContact CA-O 3.3Å; E135-N140 WeakPolarHBondContact CA-O 3.42Å; E135-I141 HydrophobicContact CG-CD1 4.08Å; E135-I141 HydrophobicContact CG-CG1 3.79Å
136D93.2Very high94Very high66 Ų6674.1 Ų74.135%0.35337%0.366SS..  trans-75.8-175.416669.215.8000111.6D138 G139 N140D136-D138 PolarHBondContact O-N 3.07Å; D136-D138 WeakPolarHBondContact OD1-CA 3.37Å; D136-D138 PolarHBondContact OD1-N 3.33Å; D136-G139 PolarHBondContact O-N 2.97Å; D136-G139 PolarHBondContact OD1-N 3.22Å; D136-G139 VanDerWaalsContact OD1-N 3.09Å; D136-N140 PolarHBondContact N-O 3.05Å; D136-N140 PolarHBondContact OD1-N 3.29Å; D136-N140 WeakPolarHBondContact OD2-CB 3.42Å
137L93.9Very high94.1Very high181 Ų18171.8 Ų71.895%0.94835%0.346SS*.THydrogen-bonded Turntrans-64.7-18.9-178.9-66.1174.6000113.5
138D93.6Very high94.2Very high138 Ų13874.1 Ų74.174%0.73835%0.354SS*.THydrogen-bonded Turntrans-99.73.1-178.6-64.3-47.2000112D136 N140D136-D138 PolarHBondContact O-N 3.07Å; D136-D138 WeakPolarHBondContact OD1-CA 3.37Å; D136-D138 PolarHBondContact OD1-N 3.33Å; D138-N140 WeakPolarHBondContact CB-ND2 3.44Å
139G94.4Very high94.3Very high19 Ų1975.5 Ų75.520%0.19636%0.359CS..SBendtrans80.719.5-179.600000114A105 E135 D136A105-G139 PolarHBondContact N-O 3.33Å; E135-G139 WeakPolarHBondContact OE2-CA 3.38Å; D136-G139 PolarHBondContact O-N 2.97Å; D136-G139 PolarHBondContact OD1-N 3.22Å; D136-G139 VanDerWaalsContact OD1-N 3.09Å
140N95.4Very high94.4Very high49 Ų4970.6 Ų70.626%0.26234%0.344SS..EExtended strand (participates in β ladder)trans-98.7152.3179.7-53.7-61.7000112.3F102 I103 E135 D136 D138F102-N140 HydrophobicContact CB-CB 4.19Å; F102-N140 HydrophobicContact CD1-CB 4.26Å; I103-N140 WeakPolarHBondContact O-CA 3.24Å; E135-N140 CarbonylContact C-O 3.55Å; E135-N140 VanDerWaalsContact CA-O 3.3Å; E135-N140 WeakPolarHBondContact CA-O 3.42Å; D136-N140 PolarHBondContact N-O 3.05Å; D136-N140 PolarHBondContact OD1-N 3.29Å; D136-N140 WeakPolarHBondContact OD2-CB 3.42Å; D138-N140 WeakPolarHBondContact CB-ND2 3.44Å
141I94.9Very high94.4Very high4 Ų468.5 Ų68.52%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-122.3133.5179.3-59.3-179.2000109.1F102 I103 A105 M108 L133 E135 Y143F102-I141 WeakPolarHBondContact CA-O 3.39Å; I103-I141 PolarHBondContact N-O 3.01Å; I103-I141 PolarHBondContact O-N 3.12Å; A105-I141 HydrophobicContact CB-CD1 3.71Å; A105-I141 HydrophobicContact CB-CG1 4.15Å; M108-I141 HydrophobicContact CE-CB 3.79Å; M108-I141 HydrophobicContact CE-CD1 4.36Å; M108-I141 HydrophobicContact CE-CG2 3.34Å; M108-I141 HydrophobicContact SD-CB 4.26Å; M108-I141 HydrophobicContact SD-CD1 3.67Å; M108-I141 HydrophobicContact SD-CG2 3.82Å; L133-I141 HydrophobicContact CD1-CG2 4.1Å; L133-I141 HydrophobicContact CD2-CG2 3.36Å; L133-I141 HydrophobicContact CG-CG2 3.7Å; E135-I141 HydrophobicContact CG-CD1 4.08Å; E135-I141 HydrophobicContact CG-CG1 3.79Å; I141-Y143 PolarHBondContact O-N 3.12Å
142K95.7Very high94.4Very high80 Ų8071.5 Ų71.535%0.34837%0.365SS..EExtended strand (participates in β ladder)trans-76.499.7171.3-166.8177.7-178.4-166.10110G101 F102 E144 E145 L146G101-K142 WeakPolarHBondContact O-CA 3.46Å; F102-K142 HydrophobicContact CD1-CB 4.08Å; F102-K142 HydrophobicContact CE1-CB 3.82Å; F102-K142 HydrophobicContact CE1-CG 4.27Å; K142-E144 WeakPolarHBondContact CE-OE2 3.45Å; K142-E144 HydrophobicContact CG-CB 4.27Å; K142-E144 IonicContact NZ-OE2 2.84Å; K142-E144 PolarHBondContact NZ-OE2 3.24Å; K142-E144 PolarHBondContact O-N 3Å; K142-E145 HydrophobicContact CB-CB 4.42Å; K142-E145 WeakPolarHBondContact O-CB 3.37Å; K142-E145 PolarHBondContact O-N 3.17Å; K142-L146 PolarHBondContact O-N 3.26Å
143Y96.6Very high94.2Very high12 Ų1268.7 Ų68.75%0.04736%0.358CS..Hα-helixtrans-63.3-25.5-175.256.6-98.1000113.5M89 F92 D96 G101 I103 I141 E145 L146 I147M89-Y143 HydrophobicContact CE-CD2 4.41Å; M89-Y143 HydrophobicContact CE-CE2 3.8Å; M89-Y143 HydrophobicContact SD-CD2 4.17Å; M89-Y143 HydrophobicContact SD-CE2 4.1Å; F92-Y143 HydrophobicContact CB-CD1 4.41Å; F92-Y143 HydrophobicContact CB-CD2 3.52Å; F92-Y143 HydrophobicContact CB-CE2 4.03Å; F92-Y143 HydrophobicContact CB-CG 3.74Å; F92-Y143 HydrophobicContact CG-CD2 4.28Å; F92-Y143 HydrophobicContact CG-CG 4.24Å; D96-Y143 HydrophobicContact CB-CE1 3.72Å; D96-Y143 WeakPolarHBondContact OD2-CE1 3.35Å; D96-Y143 PolarHBondContact OD2-OH 2.9Å; G101-Y143 WeakPolarHBondContact O-CD1 3.38Å; G101-Y143 VanDerWaalsContact O-CE1 3.32Å; G101-Y143 WeakPolarHBondContact O-CE1 3.42Å; I103-Y143 HydrophobicContact CG1-CD1 4.38Å; I103-Y143 HydrophobicContact CG2-CD1 4.03Å; I103-Y143 HydrophobicContact CG2-CE1 4.38Å; I141-Y143 PolarHBondContact O-N 3.12Å; Y143-E145 PolarHBondContact O-N 3.12Å; Y143-L146 WeakPolarHBondContact O-CB 3.46Å; Y143-L146 PolarHBondContact O-N 3.08Å; Y143-I147 HydrophobicContact CD2-CD1 4.23Å; Y143-I147 WeakPolarHBondContact O-CD1 3.21Å; Y143-I147 VanDerWaalsContact O-CG1 3.27Å; Y143-I147 WeakPolarHBondContact O-CG1 3.39Å; Y143-I147 PolarHBondContact O-N 2.91Å
144E97Very high93.9Very high47 Ų4772 Ų7222%0.2238%0.381CS..Hα-helixtrans-56.5-39.6170.5-174.5-174.1-171.100111.8Y85 M89 K142 K148Y85-E144 VanDerWaalsContact OH-CG 3.31Å; Y85-E144 WeakPolarHBondContact OH-CG 3.32Å; Y85-E144 PolarHBondContact OH-OE1 3.08Å; M89-E144 HydrophobicContact CE-CB 4.26Å; M89-E144 HydrophobicContact CE-CG 4.31Å; M89-E144 HydrophobicContact SD-CB 4.1Å; M89-E144 HydrophobicContact SD-CG 4.13Å; K142-E144 WeakPolarHBondContact CE-OE2 3.45Å; K142-E144 HydrophobicContact CG-CB 4.27Å; K142-E144 IonicContact NZ-OE2 2.84Å; K142-E144 PolarHBondContact NZ-OE2 3.24Å; K142-E144 PolarHBondContact O-N 3Å; E144-K148 HydrophobicContact CG-CD 4.16Å; E144-K148 WeakPolarHBondContact O-CB 3.28Å; E144-K148 WeakPolarHBondContact O-CG 3.4Å; E144-K148 PolarHBondContact O-N 3.38Å; E144-K148 WeakPolarHBondContact OE1-CE 3.39Å; E144-K148 IonicContact OE1-NZ 3.76Å; E144-K148 PolarHBondContact OE1-NZ 2.93Å
145E95.4Very high93.1Very high74 Ų7469.4 Ų69.435%0.34639%0.39SS..Hα-helixtrans-70.6-41.3179.2-170.8-179.915700111.5L133 K142 Y143 I147 K148 K149L133-E145 HydrophobicContact CD1-CB 3.91Å; L133-E145 HydrophobicContact CD1-CG 3.77Å; K142-E145 HydrophobicContact CB-CB 4.42Å; K142-E145 WeakPolarHBondContact O-CB 3.37Å; K142-E145 PolarHBondContact O-N 3.17Å; Y143-E145 PolarHBondContact O-N 3.12Å; E145-I147 PolarHBondContact O-N 3.2Å; E145-K148 PolarHBondContact O-N 3.34Å; E145-K149 HydrophobicContact CG-CD 3.94Å; E145-K149 HydrophobicContact CG-CG 4.28Å; E145-K149 WeakPolarHBondContact O-CB 3.24Å; E145-K149 VanDerWaalsContact O-CG 3.32Å; E145-K149 WeakPolarHBondContact O-CG 3.34Å; E145-K149 PolarHBondContact O-N 2.98Å; E145-K149 WeakPolarHBondContact OE1-CE 3.44Å; E145-K149 IonicContact OE1-NZ 3.12Å; E145-K149 PolarHBondContact OE1-NZ 3.49Å
146L95.2Very high91.4Very high9 Ų977.1 Ų77.15%0.04742%0.421CS..Hα-helixtrans-51.9-56.6170.9176.476.1000110.1F92 M108 L128 I131 L133 K142 Y143 K148 K149 V150F92-L146 HydrophobicContact CE1-CD2 4.22Å; F92-L146 HydrophobicContact CE2-CD2 4.05Å; F92-L146 HydrophobicContact CZ-CD2 3.57Å; M108-L146 HydrophobicContact CE-CB 4.12Å; M108-L146 HydrophobicContact CE-CD2 3.69Å; M108-L146 HydrophobicContact CE-CG 4.39Å; M108-L146 HydrophobicContact CG-CD2 4.35Å; M108-L146 HydrophobicContact SD-CD1 4.21Å; M108-L146 HydrophobicContact SD-CD2 3.81Å; M108-L146 HydrophobicContact SD-CG 4.42Å; L128-L146 HydrophobicContact CD2-CD1 4.14Å; I131-L146 HydrophobicContact CD1-CD1 3.6Å; L133-L146 HydrophobicContact CD2-CB 3.73Å; L133-L146 HydrophobicContact CD2-CD1 3.71Å; L133-L146 HydrophobicContact CD2-CG 4.32Å; K142-L146 PolarHBondContact O-N 3.26Å; Y143-L146 WeakPolarHBondContact O-CB 3.46Å; Y143-L146 PolarHBondContact O-N 3.08Å; L146-K148 PolarHBondContact O-N 3.16Å; L146-K149 PolarHBondContact O-N 2.92Å; L146-V150 HydrophobicContact CD1-CG2 4.08Å; L146-V150 HydrophobicContact CG-CG2 4.37Å; L146-V150 WeakPolarHBondContact O-CB 3.31Å; L146-V150 VanDerWaalsContact O-CG2 3.25Å; L146-V150 WeakPolarHBondContact O-CG2 3.5Å; L146-V150 PolarHBondContact O-N 3.05Å
147I96.2Very high91.3Very high7 Ų777.7 Ų77.74%0.03643%0.425CS..Hα-helixtrans-60.4-48.1-175.4-62.6160.1000110.2Y85 Y88 M89 F92 Y143 E145 K149 V150 L151Y85-I147 HydrophobicContact CD2-CG2 3.57Å; Y85-I147 HydrophobicContact CE2-CB 4.46Å; Y85-I147 HydrophobicContact CE2-CG2 3.91Å; Y88-I147 HydrophobicContact CD2-CG2 4.11Å; Y88-I147 HydrophobicContact CG-CG2 4.38Å; M89-I147 HydrophobicContact CG-CD1 4.05Å; M89-I147 HydrophobicContact SD-CD1 3.52Å; M89-I147 VanDerWaalsContact SD-CD1 3.52Å; F92-I147 HydrophobicContact CD2-CD1 3.77Å; F92-I147 HydrophobicContact CD2-CG1 4.01Å; F92-I147 HydrophobicContact CE2-CD1 4.42Å; F92-I147 HydrophobicContact CE2-CG1 4.15Å; Y143-I147 HydrophobicContact CD2-CD1 4.23Å; Y143-I147 WeakPolarHBondContact O-CD1 3.21Å; Y143-I147 VanDerWaalsContact O-CG1 3.27Å; Y143-I147 WeakPolarHBondContact O-CG1 3.39Å; Y143-I147 PolarHBondContact O-N 2.91Å; E145-I147 PolarHBondContact O-N 3.2Å; I147-K149 PolarHBondContact O-N 3.12Å; I147-V150 PolarHBondContact O-N 3.01Å; I147-L151 HydrophobicContact CG2-CD1 3.8Å; I147-L151 HydrophobicContact CG2-CG 4.33Å; I147-L151 VanDerWaalsContact O-CB 3.31Å; I147-L151 WeakPolarHBondContact O-CB 3.31Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 3.47Å; I147-L151 PolarHBondContact O-N 2.68Å
148K96Very high91.2Very high106 Ų10672.3 Ų72.346%0.46140%0.397SS..Hα-helixtrans-60.3-45.5-180-77.7177.5172.6170.50112.1Y85 E144 E145 L146 A152Y85-K148 HydrophobicContact CE2-CG 3.81Å; Y85-K148 WeakPolarHBondContact OH-CE 3.37Å; E144-K148 HydrophobicContact CG-CD 4.16Å; E144-K148 WeakPolarHBondContact O-CB 3.28Å; E144-K148 WeakPolarHBondContact O-CG 3.4Å; E144-K148 PolarHBondContact O-N 3.38Å; E144-K148 WeakPolarHBondContact OE1-CE 3.39Å; E144-K148 IonicContact OE1-NZ 3.76Å; E144-K148 PolarHBondContact OE1-NZ 2.93Å; E145-K148 PolarHBondContact O-N 3.34Å; L146-K148 PolarHBondContact O-N 3.16Å; K148-A152 VanDerWaalsContact O-CB 3.32Å; K148-A152 WeakPolarHBondContact O-CB 3.32Å; K148-A152 PolarHBondContact O-N 2.89Å
149K95.3Very high91Very high62 Ų6268.6 Ų68.627%0.2738%0.378SS..Hα-helixtrans-71.4-40.4-178-70.7-177167.5177.80112.2I131 D132 E145 L146 I147 A152 G153I131-K149 HydrophobicContact CB-CB 3.92Å; I131-K149 HydrophobicContact CB-CD 4.04Å; I131-K149 HydrophobicContact CD1-CB 4.39Å; I131-K149 HydrophobicContact CG1-CD 4.48Å; I131-K149 HydrophobicContact CG2-CB 4.15Å; I131-K149 WeakPolarHBondContact O-CD 3.41Å; I131-K149 WeakPolarHBondContact O-CE 3.39Å; I131-K149 PolarHBondContact O-NZ 3.07Å; D132-K149 PolarHBondContact O-NZ 2.81Å; E145-K149 HydrophobicContact CG-CD 3.94Å; E145-K149 HydrophobicContact CG-CG 4.28Å; E145-K149 WeakPolarHBondContact O-CB 3.24Å; E145-K149 VanDerWaalsContact O-CG 3.32Å; E145-K149 WeakPolarHBondContact O-CG 3.34Å; E145-K149 PolarHBondContact O-N 2.98Å; E145-K149 WeakPolarHBondContact OE1-CE 3.44Å; E145-K149 IonicContact OE1-NZ 3.12Å; E145-K149 PolarHBondContact OE1-NZ 3.49Å; L146-K149 PolarHBondContact O-N 2.92Å; I147-K149 PolarHBondContact O-N 3.12Å; K149-A152 PolarHBondContact O-N 3.47Å; K149-G153 PolarHBondContact O-N 2.98Å
150V94.7Very high90.8Very high74 Ų7471.5 Ų71.545%0.44839%0.389SS..Hα-helixtrans-63.8-45175.8171.70000110.9I127 I131 L146 I147 A152 G153I127-V150 HydrophobicContact CG2-CG2 4.2Å; I131-V150 HydrophobicContact CD1-CG2 4.18Å; L146-V150 HydrophobicContact CD1-CG2 4.08Å; L146-V150 HydrophobicContact CG-CG2 4.37Å; L146-V150 WeakPolarHBondContact O-CB 3.31Å; L146-V150 VanDerWaalsContact O-CG2 3.25Å; L146-V150 WeakPolarHBondContact O-CG2 3.5Å; L146-V150 PolarHBondContact O-N 3.05Å; I147-V150 PolarHBondContact O-N 3.01Å; V150-A152 VanDerWaalsContact C-N 3.33Å; V150-A152 PolarHBondContact O-N 2.68Å; V150-G153 PolarHBondContact O-N 2.91Å; V150-G153 VanDerWaalsContact O-N 3.14Å
151L93.2Very high90.5Very high89 Ų8972.9 Ų72.947%0.46640%0.397SS..Hα-helixtrans-67.9-30177.3-73.1179.6000113.8Y85 Y88 I147 G153Y85-L151 HydrophobicContact CD2-CD1 4.13Å; Y88-L151 HydrophobicContact CD2-CD1 4.15Å; Y88-L151 HydrophobicContact CD2-CD2 4.42Å; Y88-L151 HydrophobicContact CE2-CD1 4.36Å; Y88-L151 HydrophobicContact CE2-CD2 3.89Å; Y88-L151 HydrophobicContact CE2-CG 4.48Å; I147-L151 HydrophobicContact CG2-CD1 3.8Å; I147-L151 HydrophobicContact CG2-CG 4.33Å; I147-L151 VanDerWaalsContact O-CB 3.31Å; I147-L151 WeakPolarHBondContact O-CB 3.31Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 3.47Å; I147-L151 PolarHBondContact O-N 2.68Å; L151-G153 PolarHBondContact O-N 3.22Å
152A92.9Very high90.3Very high81 Ų8177.5 Ų77.567%0.66942%0.422SS*.Hα-helixtrans-67.5-27.1173.200000112.1K148 K149 V150K148-A152 VanDerWaalsContact O-CB 3.32Å; K148-A152 WeakPolarHBondContact O-CB 3.32Å; K148-A152 PolarHBondContact O-N 2.89Å; K149-A152 PolarHBondContact O-N 3.47Å; V150-A152 VanDerWaalsContact C-N 3.33Å; V150-A152 PolarHBondContact O-N 2.68Å
153G89.8Confident89.9Confident31 Ų3177.4 Ų77.432%0.3243%0.427SS..  trans73.9-172.5178.900000113.6K149 V150 L151K149-G153 PolarHBondContact O-N 2.98Å; V150-G153 PolarHBondContact O-N 2.91Å; V150-G153 VanDerWaalsContact O-N 3.14Å; L151-G153 PolarHBondContact O-N 3.22Å
154P85.5Confident89.4Confident91 Ų9182.4 Ų82.459%0.59146%0.457SS*.SBendtrans-61.7145.3174.828-35.6000111.3F130 K156F130-P154 HydrophobicContact CE1-CB 3.94Å; F130-P154 HydrophobicContact CZ-CB 3.45Å; F130-P154 VanDerWaalsContact CZ-CB 3.45Å; P154-K156 PolarHBondContact O-N 2.81Å
155S73Confident88.7Confident123 Ų12385.3 Ų85.386%0.8648%0.477SS*.  trans-59.4126168.5-62.20000109.1
156K57.6Low88.1Confident277 Ų27786.4 Ų86.4100%1.20449%0.488SS*.  trans-69.20175.1-68.6-171.8178.2-172.80112.1P154P154-K156 PolarHBondContact O-N 2.81Å

Retrieved 156 of 156 residues in 161.4 ms (Link to these results)

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