A0A2K5LQF6_CERAT Loading...

Clathrin interactor 1

AlphaFold DB , UniProt , Accession A0A2K5LQF6, Species CERAT (Cercocebus atys, Sooty mangabey), Gene CLINT1, Length 643 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
1M47.3Very low65Low232 Ų232118.1 Ų118.1100%1.14357%0.572SS**  0139.60-64.4169.1179.900108.1
2L51.8Low65.5Low149 Ų149113 Ų11378%0.7855%0.549SS*.  trans-76.4129.7165.7-92.273.6000108.5M4 V7L2-M4 PolarHBondContact O-N 3.27Å; L2-V7 HydrophobicContact CB-CG2 3.99Å; L2-V7 HydrophobicContact CD2-CG2 4.1Å
3N66.4Low65.5Low88 Ų88113.1 Ų113.147%0.47155%0.545SS..  trans-62.4117.9176.7-74.5-13.1000110.1W5 K6 V7N3-W5 HydrophobicContact CB-CD2 4.26Å; N3-W5 HydrophobicContact CB-CG 4.21Å; N3-W5 HydrophobicContact CB-CZ2 4.4Å; N3-W5 PolarHBondContact ND2-NE1 3.14Å; N3-W5 PolarHBondContact O-N 3.41Å; N3-W5 VanDerWaalsContact O-N 3.17Å; N3-K6 HydrophobicContact CB-CB 4.07Å; N3-K6 WeakPolarHBondContact O-CA 3.26Å; N3-K6 PolarHBondContact O-N 3.25Å; N3-V7 PolarHBondContact O-N 2.91Å
4M64.9Low65.2Low134 Ų134108.8 Ų108.866%0.6654%0.538SS*.Hα-helixtrans-59.5-29.7-179.4-75.7-160.978.700113.2L2 K6 V7 R8L2-M4 PolarHBondContact O-N 3.27Å; M4-K6 VanDerWaalsContact C-N 3.3Å; M4-K6 PolarHBondContact O-N 3.37Å; M4-V7 PolarHBondContact O-N 2.63Å; M4-R8 WeakPolarHBondContact O-CB 3.4Å; M4-R8 WeakPolarHBondContact O-CG 3.31Å; M4-R8 PolarHBondContact O-N 3.21Å
5W67.3Low65.1Low136 Ų136104.5 Ų104.552%0.51552%0.52SS..Hα-helixtrans-61.5-38.7171.366.8-106.5000111.8N3 R8 E9N3-W5 HydrophobicContact CB-CD2 4.26Å; N3-W5 HydrophobicContact CB-CG 4.21Å; N3-W5 HydrophobicContact CB-CZ2 4.4Å; N3-W5 PolarHBondContact ND2-NE1 3.14Å; N3-W5 PolarHBondContact O-N 3.41Å; N3-W5 VanDerWaalsContact O-N 3.17Å; W5-R8 PolarHBondContact O-N 3.15Å; W5-E9 WeakPolarHBondContact CZ3-OE2 3.49Å; W5-E9 WeakPolarHBondContact O-CB 3.48Å; W5-E9 PolarHBondContact O-N 2.83Å
6K62.6Low65.1Low93 Ų9399.1 Ų99.140%0.40449%0.494SS..Hα-helixtrans-78.9-29.1-179.9-162.3152.9-157.270.20112.7N3 M4 E9 L10N3-K6 HydrophobicContact CB-CB 4.07Å; N3-K6 WeakPolarHBondContact O-CA 3.26Å; N3-K6 PolarHBondContact O-N 3.25Å; M4-K6 VanDerWaalsContact C-N 3.3Å; M4-K6 PolarHBondContact O-N 3.37Å; K6-E9 IonicContact NZ-OE1 3.48Å; K6-E9 PolarHBondContact NZ-OE1 3.28Å; K6-E9 IonicContact NZ-OE2 2.65Å; K6-E9 PolarHBondContact NZ-OE2 3.14Å; K6-L10 WeakPolarHBondContact O-CB 3.05Å; K6-L10 PolarHBondContact O-N 3.1Å
7V69.8Low64.7Low60 Ų60100.1 Ų100.136%0.36451%0.506SS..Hα-helixtrans-66.1-44.2167.6179.10000110.3L2 N3 M4 L10 V11L2-V7 HydrophobicContact CB-CG2 3.99Å; L2-V7 HydrophobicContact CD2-CG2 4.1Å; N3-V7 PolarHBondContact O-N 2.91Å; M4-V7 PolarHBondContact O-N 2.63Å; V7-L10 PolarHBondContact O-N 3.18Å; V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.06Å
8R69.9Low64.3Low151 Ų151101.1 Ų101.157%0.5752%0.518SS*.Hα-helixtrans-63.8-42.8174.1-73.6176.5179.9-174.80.2112.1M4 W5 L10 V11 D12M4-R8 WeakPolarHBondContact O-CB 3.4Å; M4-R8 WeakPolarHBondContact O-CG 3.31Å; M4-R8 PolarHBondContact O-N 3.21Å; W5-R8 PolarHBondContact O-N 3.15Å; R8-L10 VanDerWaalsContact C-N 3.32Å; R8-L10 PolarHBondContact O-N 3.49Å; R8-V11 PolarHBondContact O-N 2.88Å; R8-D12 WeakPolarHBondContact O-CB 3.49Å; R8-D12 PolarHBondContact O-N 3.33Å
9E73.1Confident64.3Low54 Ų54101.7 Ų101.725%0.25252%0.52SS..Hα-helixtrans-56-44.6172-172.3-157.3154.400111.5W5 K6 K13W5-E9 WeakPolarHBondContact CZ3-OE2 3.49Å; W5-E9 WeakPolarHBondContact O-CB 3.48Å; W5-E9 PolarHBondContact O-N 2.83Å; K6-E9 IonicContact NZ-OE1 3.48Å; K6-E9 PolarHBondContact NZ-OE1 3.28Å; K6-E9 IonicContact NZ-OE2 2.65Å; K6-E9 PolarHBondContact NZ-OE2 3.14Å; E9-K13 HydrophobicContact CG-CD 4.18Å; E9-K13 WeakPolarHBondContact O-CB 3.48Å; E9-K13 VanDerWaalsContact O-CG 3.28Å; E9-K13 WeakPolarHBondContact O-CG 3.47Å; E9-K13 PolarHBondContact O-N 3.26Å; E9-K13 IonicContact OE1-NZ 2.69Å; E9-K13 PolarHBondContact OE1-NZ 3.44Å
10L69.8Low64.6Low115 Ų115103.8 Ų103.860%0.60253%0.532SS*.Hα-helixtrans-65.5-41.5176-124.675.8000112.2K6 V7 R8 K13 A14K6-L10 WeakPolarHBondContact O-CB 3.05Å; K6-L10 PolarHBondContact O-N 3.1Å; V7-L10 PolarHBondContact O-N 3.18Å; R8-L10 VanDerWaalsContact C-N 3.32Å; R8-L10 PolarHBondContact O-N 3.49Å; L10-K13 PolarHBondContact O-N 2.95Å; L10-A14 WeakPolarHBondContact O-CB 3.47Å; L10-A14 PolarHBondContact O-N 3.38Å
11V72.5Confident64.9Low87 Ų87102.2 Ų102.253%0.52752%0.52SS..Hα-helixtrans-67.3-40.9177.5168.60000111.3V7 R8 A14 T15V7-V11 WeakPolarHBondContact O-CG2 3.43Å; V7-V11 PolarHBondContact O-N 3.06Å; R8-V11 PolarHBondContact O-N 2.88Å; V11-A14 PolarHBondContact O-N 2.88Å; V11-T15 VanDerWaalsContact O-CB 3.29Å; V11-T15 WeakPolarHBondContact O-CB 3.33Å; V11-T15 PolarHBondContact O-N 2.8Å; V11-T15 PolarHBondContact O-OG1 3.26Å
12D71Confident66.6Low57 Ų5792.9 Ų92.931%0.30548%0.477SS..Hα-helixtrans-67.5-40.3175.7-105.3-44.4000111.4R8 T15 N16 R29R8-D12 WeakPolarHBondContact O-CB 3.49Å; R8-D12 PolarHBondContact O-N 3.33Å; D12-T15 PolarHBondContact O-N 3Å; D12-N16 WeakPolarHBondContact O-CB 3.47Å; D12-N16 PolarHBondContact O-N 3.48Å; D12-R29 IonicContact OD1-CZ 3.17Å; D12-R29 IonicContact OD1-NH1 2.76Å; D12-R29 PolarHBondContact OD1-NH1 3.42Å; D12-R29 IonicContact OD1-NH2 2.7Å; D12-R29 PolarHBondContact OD1-NH2 3Å
13K65.8Low68.3Low114 Ų11492 Ų9250%0.49647%0.469SS..Hα-helixtrans-65.6-43.5173.6-75.4174.8176.4177.90112.4E9 L10 N16 V17E9-K13 HydrophobicContact CG-CD 4.18Å; E9-K13 WeakPolarHBondContact O-CB 3.48Å; E9-K13 VanDerWaalsContact O-CG 3.28Å; E9-K13 WeakPolarHBondContact O-CG 3.47Å; E9-K13 PolarHBondContact O-N 3.26Å; E9-K13 IonicContact OE1-NZ 2.69Å; E9-K13 PolarHBondContact OE1-NZ 3.44Å; L10-K13 PolarHBondContact O-N 2.95Å; K13-N16 WeakPolarHBondContact O-CB 3.05Å; K13-N16 PolarHBondContact O-N 2.64Å; K13-N16 VanDerWaalsContact O-N 3.17Å; K13-V17 WeakPolarHBondContact O-CG2 3.38Å; K13-V17 PolarHBondContact O-N 3.26Å
14A60.6Low69.4Low53 Ų5388.2 Ų88.244%0.43845%0.449SS..Hα-helixtrans-62.6-42.5174.300000111.3L10 V11 N16 V17 V18L10-A14 WeakPolarHBondContact O-CB 3.47Å; L10-A14 PolarHBondContact O-N 3.38Å; V11-A14 PolarHBondContact O-N 2.88Å; A14-N16 VanDerWaalsContact C-N 3.29Å; A14-N16 PolarHBondContact O-N 3.33Å; A14-V17 PolarHBondContact O-N 2.87Å; A14-V18 WeakPolarHBondContact O-CB 3.39Å; A14-V18 VanDerWaalsContact O-CG2 3.26Å; A14-V18 WeakPolarHBondContact O-CG2 3.32Å; A14-V18 PolarHBondContact O-N 2.99Å
15T64.5Low70.5Confident45 Ų4583.3 Ų83.328%0.27642%0.424SS..Hα-helixtrans-62.6-37.1173.6-54.80000111.2V11 D12 V18 M19V11-T15 VanDerWaalsContact O-CB 3.29Å; V11-T15 WeakPolarHBondContact O-CB 3.33Å; V11-T15 PolarHBondContact O-N 2.8Å; V11-T15 PolarHBondContact O-OG1 3.26Å; D12-T15 PolarHBondContact O-N 3Å; T15-V18 PolarHBondContact O-N 3.02Å; T15-M19 HydrophobicContact CG2-CG 4.07Å; T15-M19 VanDerWaalsContact O-CB 3.28Å; T15-M19 WeakPolarHBondContact O-CB 3.34Å; T15-M19 VanDerWaalsContact O-CG 3.31Å; T15-M19 WeakPolarHBondContact O-CG 3.16Å; T15-M19 PolarHBondContact O-N 3.45Å
16N64Low71.6Confident18 Ų1878.6 Ų78.610%0.09641%0.412CS..Hα-helixtrans-65.3-38.8177.3-153.793.5000112.6D12 K13 A14 N20 Y21 S26D12-N16 WeakPolarHBondContact O-CB 3.47Å; D12-N16 PolarHBondContact O-N 3.48Å; K13-N16 WeakPolarHBondContact O-CB 3.05Å; K13-N16 PolarHBondContact O-N 2.64Å; K13-N16 VanDerWaalsContact O-N 3.17Å; A14-N16 VanDerWaalsContact C-N 3.29Å; A14-N16 PolarHBondContact O-N 3.33Å; N16-N20 PolarHBondContact O-N 2.97Å; N16-Y21 HydrophobicContact CB-CD2 4.46Å; N16-Y21 PolarHBondContact ND2-O 2.65Å; N16-Y21 PolarHBondContact O-N 3.43Å; N16-S26 WeakPolarHBondContact OD1-CA 3.25Å; N16-S26 VanDerWaalsContact OD1-CB 3.31Å; N16-S26 WeakPolarHBondContact OD1-CB 3.26Å; N16-S26 PolarHBondContact OD1-OG 3.39Å
17V59.5Low72.9Confident115 Ų11576.3 Ų76.370%0.69740%0.402SS*.Hα-helixtrans-71.8-45174175.10000111.2K13 A14 M19 N20K13-V17 WeakPolarHBondContact O-CG2 3.38Å; K13-V17 PolarHBondContact O-N 3.26Å; A14-V17 PolarHBondContact O-N 2.87Å; V17-M19 PolarHBondContact O-N 3.28Å; V17-N20 PolarHBondContact O-N 2.7Å; V17-N20 VanDerWaalsContact O-N 3.09Å
18V56.4Low74.1Confident119 Ų11973.4 Ų73.472%0.72139%0.385SS*.Hα-helixtrans-65.5-35.2-179.5167.10000112.7A14 T15 N20A14-V18 WeakPolarHBondContact O-CB 3.39Å; A14-V18 VanDerWaalsContact O-CG2 3.26Å; A14-V18 WeakPolarHBondContact O-CG2 3.32Å; A14-V18 PolarHBondContact O-N 2.99Å; T15-V18 PolarHBondContact O-N 3.02Å; V18-N20 VanDerWaalsContact C-N 3.33Å
19M63.9Low75.1Confident113 Ų11367.4 Ų67.456%0.55736%0.362SS*.THydrogen-bonded Turntrans-87.5-1.7174.4-63.2-66.1175.600113.2T15 V17 Y21T15-M19 HydrophobicContact CG2-CG 4.07Å; T15-M19 VanDerWaalsContact O-CB 3.28Å; T15-M19 WeakPolarHBondContact O-CB 3.34Å; T15-M19 VanDerWaalsContact O-CG 3.31Å; T15-M19 WeakPolarHBondContact O-CG 3.16Å; T15-M19 PolarHBondContact O-N 3.45Å; V17-M19 PolarHBondContact O-N 3.28Å; M19-Y21 VanDerWaalsContact C-N 3.25Å; M19-Y21 HydrophobicContact CB-CD1 4.18Å; M19-Y21 HydrophobicContact CB-CD2 3.89Å; M19-Y21 HydrophobicContact CB-CE1 3.9Å; M19-Y21 HydrophobicContact CB-CE2 3.58Å; M19-Y21 HydrophobicContact CB-CG 4.15Å; M19-Y21 HydrophobicContact CG-CE2 3.96Å; M19-Y21 PolarHBondContact O-N 3.02Å
20N70.4Confident75.9Confident143 Ų14370 Ų7077%0.76537%0.374SS*.THydrogen-bonded Turntrans50.441.7-177.5-157.5101.8000113.2N16 V17 V18N16-N20 PolarHBondContact O-N 2.97Å; V17-N20 PolarHBondContact O-N 2.7Å; V17-N20 VanDerWaalsContact O-N 3.09Å; V18-N20 VanDerWaalsContact C-N 3.33Å
21Y72.1Confident77Confident71 Ų7164.6 Ų64.628%0.27835%0.346SS..  trans-69.6141.3179.5-69.7-43.9000111.7N16 M19 E25 R29 M63N16-Y21 HydrophobicContact CB-CD2 4.46Å; N16-Y21 PolarHBondContact ND2-O 2.65Å; N16-Y21 PolarHBondContact O-N 3.43Å; M19-Y21 VanDerWaalsContact C-N 3.25Å; M19-Y21 HydrophobicContact CB-CD1 4.18Å; M19-Y21 HydrophobicContact CB-CD2 3.89Å; M19-Y21 HydrophobicContact CB-CE1 3.9Å; M19-Y21 HydrophobicContact CB-CE2 3.58Å; M19-Y21 HydrophobicContact CB-CG 4.15Å; M19-Y21 HydrophobicContact CG-CE2 3.96Å; M19-Y21 PolarHBondContact O-N 3.02Å; Y21-E25 WeakPolarHBondContact CA-OE2 3.26Å; Y21-E25 WeakPolarHBondContact CD1-OE2 3.41Å; Y21-E25 HydrophobicContact CG-CB 4.47Å; Y21-R29 VanDerWaalsContact CE2-NE 3.34Å; Y21-M63 HydrophobicContact CD1-CE 3.86Å; Y21-M63 HydrophobicContact CE1-CE 3.61Å; Y21-M63 HydrophobicContact CG-CE 4.48Å
22S83.3Confident77.8Confident36 Ų3660.4 Ų60.425%0.25232%0.321SS..  trans-58.8155.5175.7-172.90000111.8I24 E25 S26 E59S22-I24 PolarHBondContact O-N 2.83Å; S22-E25 PolarHBondContact N-OE2 3.24Å; S22-E25 WeakPolarHBondContact O-CB 3.17Å; S22-E25 PolarHBondContact O-N 3.01Å; S22-E25 VanDerWaalsContact O-N 3.08Å; S22-S26 PolarHBondContact O-N 2.92Å; S22-E59 WeakPolarHBondContact CB-OE2 3.46Å; S22-E59 PolarHBondContact OG-OE2 3.17Å
23E85.8Confident78.7Confident131 Ų13159.1 Ų59.161%0.61231%0.314SS*.Hα-helixtrans-57.2-38.9179.7-167.6-156.413400110.9S26 K27E23-S26 WeakPolarHBondContact O-CB 3.16Å; E23-S26 PolarHBondContact O-N 3.49Å; E23-K27 PolarHBondContact O-N 3.15Å; E23-K27 WeakPolarHBondContact OE1-CE 3.29Å; E23-K27 IonicContact OE1-NZ 2.98Å; E23-K27 PolarHBondContact OE1-NZ 2.85Å
24I90.3Very high79.6Confident7 Ų756 Ų564%0.03630%0.302CS..Hα-helixtrans-69.1-37.2178.5-171.851.9000112.4S22 S26 K27 V28 I47 A50 Q56 E59 L60S22-I24 PolarHBondContact O-N 2.83Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-K27 PolarHBondContact O-N 2.87Å; I24-V28 WeakPolarHBondContact O-CG2 3.17Å; I24-V28 PolarHBondContact O-N 2.99Å; I24-I47 HydrophobicContact CD1-CB 4.45Å; I24-I47 HydrophobicContact CD1-CG1 4.21Å; I24-I47 HydrophobicContact CD1-CG2 4.3Å; I24-A50 HydrophobicContact CD1-CB 3.35Å; I24-A50 HydrophobicContact CG1-CB 3.89Å; I24-Q56 HydrophobicContact CG2-CB 4.09Å; I24-Q56 HydrophobicContact CG2-CG 4.3Å; I24-E59 HydrophobicContact CG2-CB 4.43Å; I24-L60 HydrophobicContact CD1-CD1 3.83Å; I24-L60 HydrophobicContact CD1-CG 4.07Å; I24-L60 HydrophobicContact CG1-CB 3.8Å; I24-L60 HydrophobicContact CG1-CD1 3.71Å; I24-L60 HydrophobicContact CG1-CG 3.73Å
25E89.1Confident80.8Confident32 Ų3255 Ų5515%0.1529%0.29CS..Hα-helixtrans-64.7-41173.9-70.2-175.8114.600111Y21 S22 K27 V28 R29 E59 M63Y21-E25 WeakPolarHBondContact CA-OE2 3.26Å; Y21-E25 WeakPolarHBondContact CD1-OE2 3.41Å; Y21-E25 HydrophobicContact CG-CB 4.47Å; S22-E25 PolarHBondContact N-OE2 3.24Å; S22-E25 WeakPolarHBondContact O-CB 3.17Å; S22-E25 PolarHBondContact O-N 3.01Å; S22-E25 VanDerWaalsContact O-N 3.08Å; E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 3.47Å; E25-V28 PolarHBondContact O-N 2.68Å; E25-R29 VanDerWaalsContact O-CG 3.31Å; E25-R29 WeakPolarHBondContact O-CG 3.45Å; E25-R29 PolarHBondContact O-N 3.2Å; E25-E59 HydrophobicContact CG-CB 4.12Å; E25-M63 HydrophobicContact CB-CE 4.15Å; E25-M63 HydrophobicContact CB-CG 4.21Å; E25-M63 HydrophobicContact CG-CB 4.12Å; E25-M63 HydrophobicContact CG-CE 4.14Å; E25-M63 HydrophobicContact CG-CG 4.33Å; E25-M63 WeakPolarHBondContact OE1-CE 3.19Å
26S88.8Confident81.7Confident36 Ų3657.3 Ų57.325%0.25231%0.305SS..Hα-helixtrans-57.1-47.5173.3-169.80000111.3N16 S22 E23 I24 V28 R29 E30N16-S26 WeakPolarHBondContact OD1-CA 3.25Å; N16-S26 VanDerWaalsContact OD1-CB 3.31Å; N16-S26 WeakPolarHBondContact OD1-CB 3.26Å; N16-S26 PolarHBondContact OD1-OG 3.39Å; S22-S26 PolarHBondContact O-N 2.92Å; E23-S26 WeakPolarHBondContact O-CB 3.16Å; E23-S26 PolarHBondContact O-N 3.49Å; I24-S26 VanDerWaalsContact C-N 3.34Å; S26-V28 PolarHBondContact O-N 3.21Å; S26-R29 PolarHBondContact O-N 3.36Å; S26-R29 VanDerWaalsContact O-N 3.16Å; S26-E30 WeakPolarHBondContact O-CB 3.22Å; S26-E30 PolarHBondContact O-N 3.2Å
27K91.4Very high82.8Confident45 Ų4564 Ų6420%0.19633%0.329CS..Hα-helixtrans-62.6-38.3176.3-72.1-179.9177.2-179.60112.7E23 I24 E25 E30 A31 L43 E46 I47E23-K27 PolarHBondContact O-N 3.15Å; E23-K27 WeakPolarHBondContact OE1-CE 3.29Å; E23-K27 IonicContact OE1-NZ 2.98Å; E23-K27 PolarHBondContact OE1-NZ 2.85Å; I24-K27 PolarHBondContact O-N 2.87Å; E25-K27 VanDerWaalsContact C-N 3.35Å; E25-K27 PolarHBondContact O-N 3.47Å; K27-E30 PolarHBondContact O-N 2.92Å; K27-A31 WeakPolarHBondContact O-CB 3.23Å; K27-A31 PolarHBondContact O-N 2.93Å; K27-L43 HydrophobicContact CB-CD1 3.92Å; K27-L43 HydrophobicContact CD-CD1 4.41Å; K27-L43 HydrophobicContact CG-CD1 3.98Å; K27-E46 IonicContact NZ-OE2 2.7Å; K27-E46 PolarHBondContact NZ-OE2 2.94Å; K27-I47 HydrophobicContact CB-CD1 4.37Å; K27-I47 HydrophobicContact CB-CG1 4.06Å
28V93.6Very high84.1Confident0 Ų060.5 Ų60.50%032%0.317CS..Hα-helixtrans-67.2-39.8172.9173.80000111.5I24 E25 S26 T32 I47 L60 M63 L64 L85I24-V28 WeakPolarHBondContact O-CG2 3.17Å; I24-V28 PolarHBondContact O-N 2.99Å; E25-V28 PolarHBondContact O-N 2.68Å; S26-V28 PolarHBondContact O-N 3.21Å; V28-T32 HydrophobicContact CG1-CG2 4.45Å; V28-T32 WeakPolarHBondContact O-CB 3.33Å; V28-T32 VanDerWaalsContact O-CG2 3.3Å; V28-T32 WeakPolarHBondContact O-CG2 3.16Å; V28-T32 PolarHBondContact O-N 3.39Å; V28-T32 PolarHBondContact O-OG1 3.49Å; V28-I47 HydrophobicContact CG2-CD1 4.31Å; V28-I47 HydrophobicContact CG2-CG1 4.49Å; V28-I47 HydrophobicContact CG2-CG2 4.03Å; V28-L60 HydrophobicContact CG2-CD2 4.08Å; V28-L60 HydrophobicContact CG2-CG 3.9Å; V28-M63 HydrophobicContact CB-CG 4.1Å; V28-M63 HydrophobicContact CG1-CB 4.24Å; V28-M63 HydrophobicContact CG1-CG 3.83Å; V28-L64 HydrophobicContact CG1-CB 4.17Å; V28-L64 HydrophobicContact CG1-CD1 4.5Å; V28-L85 HydrophobicContact CG1-CD2 4.45Å
29R91.4Very high85.6Confident24 Ų2455.8 Ų55.89%0.09129%0.288CS..Hα-helixtrans-64.7-40.2174.8-69.3175.784.2-86.7-8.3111.5D12 Y21 E25 S26 T32 N33 M63 R67D12-R29 IonicContact OD1-CZ 3.17Å; D12-R29 IonicContact OD1-NH1 2.76Å; D12-R29 PolarHBondContact OD1-NH1 3.42Å; D12-R29 IonicContact OD1-NH2 2.7Å; D12-R29 PolarHBondContact OD1-NH2 3Å; Y21-R29 VanDerWaalsContact CE2-NE 3.34Å; E25-R29 VanDerWaalsContact O-CG 3.31Å; E25-R29 WeakPolarHBondContact O-CG 3.45Å; E25-R29 PolarHBondContact O-N 3.2Å; S26-R29 PolarHBondContact O-N 3.36Å; S26-R29 VanDerWaalsContact O-N 3.16Å; R29-T32 CarbonylContact O-C 3.47Å; R29-T32 PolarHBondContact O-N 3.18Å; R29-T32 PolarHBondContact O-OG1 3.42Å; R29-N33 PolarHBondContact O-N 2.82Å; R29-N33 VanDerWaalsContact O-N 3.13Å; R29-M63 HydrophobicContact CG-CG 4.22Å; R29-M63 HydrophobicContact CG-SD 3.79Å; R29-R67 PolarHBondContact O-NH2 3.22Å
30E90.3Very high86.9Confident109 Ų10953.8 Ų53.851%0.50929%0.286SS..Hα-helixtrans-62.8-51.4174.2-171.9-176.6147.900111.5S26 K27 T32 N33 L43S26-E30 WeakPolarHBondContact O-CB 3.22Å; S26-E30 PolarHBondContact O-N 3.2Å; K27-E30 PolarHBondContact O-N 2.92Å; E30-T32 PolarHBondContact O-N 3.5Å; E30-N33 VanDerWaalsContact O-CB 3.24Å; E30-N33 WeakPolarHBondContact O-CB 3.5Å; E30-N33 PolarHBondContact O-N 3.36Å; E30-N33 VanDerWaalsContact O-N 3.09Å; E30-N33 PolarHBondContact O-ND2 3.1Å; E30-L43 HydrophobicContact CB-CD2 4.08Å; E30-L43 HydrophobicContact CG-CD2 3.81Å
31A91.6Very high87.8Confident1 Ų149.1 Ų49.11%0.00827%0.272CS..Hα-helixtrans-62.1-28.4178.500000113.3K27 P39 L43 I47 L85K27-A31 WeakPolarHBondContact O-CB 3.23Å; K27-A31 PolarHBondContact O-N 2.93Å; A31-P39 HydrophobicContact CB-CB 4.15Å; A31-L43 HydrophobicContact CB-CD2 3.77Å; A31-L43 HydrophobicContact CB-CG 4.15Å; A31-I47 HydrophobicContact CB-CD1 3.66Å; A31-L85 HydrophobicContact CB-CD2 3.98Å
32T91Very high88.6Confident0 Ų052.4 Ų52.40%029%0.289CS..THydrogen-bonded Turntrans-99.618178.261.80000113.2V28 R29 E30 L64 R67 R78 S82 L85V28-T32 HydrophobicContact CG1-CG2 4.45Å; V28-T32 WeakPolarHBondContact O-CB 3.33Å; V28-T32 VanDerWaalsContact O-CG2 3.3Å; V28-T32 WeakPolarHBondContact O-CG2 3.16Å; V28-T32 PolarHBondContact O-N 3.39Å; V28-T32 PolarHBondContact O-OG1 3.49Å; R29-T32 CarbonylContact O-C 3.47Å; R29-T32 PolarHBondContact O-N 3.18Å; R29-T32 PolarHBondContact O-OG1 3.42Å; E30-T32 PolarHBondContact O-N 3.5Å; T32-L64 HydrophobicContact CG2-CD1 4.16Å; T32-R67 PolarHBondContact O-NH2 2.95Å; T32-R67 PolarHBondContact OG1-NE 2.76Å; T32-R67 PolarHBondContact OG1-NH2 2.94Å; T32-R78 WeakPolarHBondContact O-CG 3.48Å; T32-S82 VanDerWaalsContact CG2-OG 3.27Å; T32-S82 WeakPolarHBondContact CG2-OG 3.34Å; T32-L85 HydrophobicContact CG2-CD2 4.22Å
33N88.9Confident89.1Confident29 Ų2951.5 Ų51.516%0.15528%0.282CS..  trans-65.8167.2-178.578.813.6000112.8R29 E30 D35 K81R29-N33 PolarHBondContact O-N 2.82Å; R29-N33 VanDerWaalsContact O-N 3.13Å; E30-N33 VanDerWaalsContact O-CB 3.24Å; E30-N33 WeakPolarHBondContact O-CB 3.5Å; E30-N33 PolarHBondContact O-N 3.36Å; E30-N33 VanDerWaalsContact O-N 3.09Å; E30-N33 PolarHBondContact O-ND2 3.1Å; N33-D35 VanDerWaalsContact C-N 3.32Å; N33-D35 PolarHBondContact ND2-OD2 2.74Å; N33-D35 PolarHBondContact O-N 3.24Å; N33-D35 WeakPolarHBondContact OD1-CB 3.4Å; N33-D35 PolarHBondContact OD1-N 2.91Å; N33-D35 PolarHBondContact OD1-OD2 3.44Å; N33-K81 VanDerWaalsContact O-CD 3.22Å; N33-K81 WeakPolarHBondContact O-CD 3.34Å; N33-K81 WeakPolarHBondContact O-CE 3.31Å; N33-K81 PolarHBondContact O-NZ 2.9Å; N33-K81 PolarHBondContact OD1-NZ 3.39Å
34D85.4Confident89.4Confident48 Ų4846.5 Ų46.526%0.25726%0.258SS..  trans-90.816.9-175.6-70.6-75.1000114.2R77 R78D34-R77 WeakPolarHBondContact O-CD 3.47Å; D34-R78 WeakPolarHBondContact OD1-CB 3.42Å; D34-R78 PolarHBondContact OD1-N 2.59Å; D34-R78 IonicContact OD2-CZ 3.37Å; D34-R78 IonicContact OD2-NE 3.17Å; D34-R78 PolarHBondContact OD2-NE 3.19Å; D34-R78 VanDerWaalsContact OD2-NE 3.17Å; D34-R78 IonicContact OD2-NH2 2.72Å; D34-R78 PolarHBondContact OD2-NH2 3.15Å
35D85.3Confident89.5Confident33 Ų3346.8 Ų46.818%0.17626%0.264CS..SBendtrans-65.1161179.6-70.6-25.3000113.5N33 W37 K81N33-D35 VanDerWaalsContact C-N 3.32Å; N33-D35 PolarHBondContact ND2-OD2 2.74Å; N33-D35 PolarHBondContact O-N 3.24Å; N33-D35 WeakPolarHBondContact OD1-CB 3.4Å; N33-D35 PolarHBondContact OD1-N 2.91Å; N33-D35 PolarHBondContact OD1-OD2 3.44Å; D35-W37 VanDerWaalsContact C-N 3.32Å; D35-W37 HydrophobicContact CB-CD2 4.01Å; D35-W37 HydrophobicContact CB-CE3 4.35Å; D35-W37 HydrophobicContact CB-CH2 4Å; D35-W37 HydrophobicContact CB-CZ2 3.63Å; D35-W37 HydrophobicContact CB-CZ3 4.35Å; D35-W37 VanDerWaalsContact CG-CZ2 3.49Å; D35-W37 PolarHBondContact O-N 3.01Å; D35-W37 WeakPolarHBondContact OD2-CZ2 3.38Å; D35-K81 VanDerWaalsContact O-CE 3.3Å; D35-K81 WeakPolarHBondContact O-CE 3.43Å; D35-K81 PolarHBondContact O-NZ 2.81Å
36P83.8Confident89.7Confident93 Ų9348 Ų4860%0.60427%0.269SS*.SBendtrans-56.6-35.3178.1-2936.7000116.2R77P36-R77 PolarHBondContact O-NH1 2.93Å
37W86Confident90Very high159 Ų15946.3 Ų46.360%0.60226%0.257SS*.SBendtrans-95.1159.7-172.953.585.7000113.7D35 K81D35-W37 VanDerWaalsContact C-N 3.32Å; D35-W37 HydrophobicContact CB-CD2 4.01Å; D35-W37 HydrophobicContact CB-CE3 4.35Å; D35-W37 HydrophobicContact CB-CH2 4Å; D35-W37 HydrophobicContact CB-CZ2 3.63Å; D35-W37 HydrophobicContact CB-CZ3 4.35Å; D35-W37 VanDerWaalsContact CG-CZ2 3.49Å; D35-W37 PolarHBondContact O-N 3.01Å; D35-W37 WeakPolarHBondContact OD2-CZ2 3.38Å; W37-K81 WeakPolarHBondContact O-CE 3.45Å; W37-K81 PolarHBondContact O-NZ 2.96Å
38G87Confident90.2Very high42 Ų4244.4 Ų44.443%0.43325%0.25SS..PPolyproline II helixtrans-71.8164.3174.500000113.6
39P88.3Confident90.1Very high19 Ų1951.5 Ų51.512%0.12328%0.281CS..PPolyproline II helixtrans-59.5143.7177.324.5-34.1000112.5A31 M44A31-P39 HydrophobicContact CB-CB 4.15Å; P39-M44 HydrophobicContact CB-CG 3.9Å; P39-M44 HydrophobicContact CB-SD 4.09Å; P39-M44 HydrophobicContact CG-CE 4.27Å; P39-M44 HydrophobicContact CG-CG 4.09Å; P39-M44 HydrophobicContact CG-SD 3.6Å; P39-M44 VanDerWaalsContact CG-SD 3.6Å
40S90.1Very high90.2Very high72 Ų7250.8 Ų50.850%0.50328%0.28SS..PPolyproline II helixtrans-63.7137.2175.9175.70000111.5Q42 L43 M44S40-Q42 PolarHBondContact O-N 2.89Å; S40-Q42 PolarHBondContact OG-N 2.67Å; S40-L43 PolarHBondContact O-N 2.79Å; S40-L43 VanDerWaalsContact O-N 3.12Å; S40-M44 WeakPolarHBondContact O-CG 3.06Å; S40-M44 PolarHBondContact O-N 2.75Å
41G89.8Confident90.4Very high45 Ų4545.6 Ų45.646%0.46426%0.256SS..Hα-helixtrans-59.3-31.8176.500000113.5G45G41-G45 PolarHBondContact O-N 3.14Å
42Q90.4Very high90.4Very high139 Ų13951.3 Ų51.365%0.6528%0.281SS*.Hα-helixtrans-66-49.3173.1-179.9-176.7-29.400111.1S40 M44 G45 E46S40-Q42 PolarHBondContact O-N 2.89Å; S40-Q42 PolarHBondContact OG-N 2.67Å; Q42-M44 VanDerWaalsContact C-N 3.35Å; Q42-M44 PolarHBondContact O-N 3.19Å; Q42-G45 CarbonylContact O-C 3.59Å; Q42-G45 WeakPolarHBondContact O-CA 2.98Å; Q42-G45 PolarHBondContact O-N 3.03Å; Q42-E46 PolarHBondContact NE2-OE1 3.1Å; Q42-E46 PolarHBondContact O-N 3.32Å
43L92.3Very high90.6Very high18 Ų1856 Ų569%0.09430%0.304CS..Hα-helixtrans-62-42.9-178.9-178.162.1000111.2K27 E30 A31 S40 G45 E46 I47K27-L43 HydrophobicContact CB-CD1 3.92Å; K27-L43 HydrophobicContact CD-CD1 4.41Å; K27-L43 HydrophobicContact CG-CD1 3.98Å; E30-L43 HydrophobicContact CB-CD2 4.08Å; E30-L43 HydrophobicContact CG-CD2 3.81Å; A31-L43 HydrophobicContact CB-CD2 3.77Å; A31-L43 HydrophobicContact CB-CG 4.15Å; S40-L43 PolarHBondContact O-N 2.79Å; S40-L43 VanDerWaalsContact O-N 3.12Å; L43-G45 VanDerWaalsContact C-N 3.3Å; L43-G45 PolarHBondContact O-N 2.8Å; L43-E46 PolarHBondContact O-N 2.73Å; L43-I47 HydrophobicContact CD1-CD1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.2Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.45Å; L43-I47 PolarHBondContact O-N 3.38Å
44M93.3Very high90.6Very high25 Ų2563.7 Ų63.712%0.12333%0.332CS..Hα-helixtrans-61.4-38171.6-64.4-166.2-73.900112.2P39 S40 Q42 I47 A48 L85 Y88P39-M44 HydrophobicContact CB-CG 3.9Å; P39-M44 HydrophobicContact CB-SD 4.09Å; P39-M44 HydrophobicContact CG-CE 4.27Å; P39-M44 HydrophobicContact CG-CG 4.09Å; P39-M44 HydrophobicContact CG-SD 3.6Å; P39-M44 VanDerWaalsContact CG-SD 3.6Å; S40-M44 WeakPolarHBondContact O-CG 3.06Å; S40-M44 PolarHBondContact O-N 2.75Å; Q42-M44 VanDerWaalsContact C-N 3.35Å; Q42-M44 PolarHBondContact O-N 3.19Å; M44-I47 PolarHBondContact O-N 3.29Å; M44-A48 VanDerWaalsContact O-CB 3.31Å; M44-A48 WeakPolarHBondContact O-CB 3.17Å; M44-A48 PolarHBondContact O-N 2.91Å; M44-L85 HydrophobicContact CB-CD1 4.28Å; M44-L85 HydrophobicContact CG-CD1 3.99Å; M44-Y88 VanDerWaalsContact C-CE1 3.49Å; M44-Y88 HydrophobicContact CB-CD1 3.63Å; M44-Y88 HydrophobicContact CB-CD2 4.4Å; M44-Y88 HydrophobicContact CB-CE1 3.81Å; M44-Y88 HydrophobicContact CB-CG 3.95Å; M44-Y88 HydrophobicContact CE-CD2 4.26Å; M44-Y88 WeakPolarHBondContact O-CE1 3.34Å; M44-Y88 HydrophobicContact SD-CD2 4.39Å; M44-Y88 HydrophobicContact SD-CG 4.08Å
45G92.6Very high90.9Very high14 Ų1469.1 Ų69.114%0.14436%0.356CS..Hα-helixtrans-66.4-34.6174.700000114.1G41 Q42 L43 K49G41-G45 PolarHBondContact O-N 3.14Å; Q42-G45 CarbonylContact O-C 3.59Å; Q42-G45 WeakPolarHBondContact O-CA 2.98Å; Q42-G45 PolarHBondContact O-N 3.03Å; L43-G45 VanDerWaalsContact C-N 3.3Å; L43-G45 PolarHBondContact O-N 2.8Å; G45-K49 WeakPolarHBondContact O-CG 3.42Å; G45-K49 PolarHBondContact O-N 3.23Å; G45-K49 VanDerWaalsContact O-N 3.07Å
46E92.9Very high91.1Very high57 Ų5770.7 Ų70.727%0.26636%0.362SS..Hα-helixtrans-69.6-45.9172.7-73.9-178.3-139.800111.7K27 Q42 L43 A48 K49 A50K27-E46 IonicContact NZ-OE2 2.7Å; K27-E46 PolarHBondContact NZ-OE2 2.94Å; Q42-E46 PolarHBondContact NE2-OE1 3.1Å; Q42-E46 PolarHBondContact O-N 3.32Å; L43-E46 PolarHBondContact O-N 2.73Å; E46-A48 VanDerWaalsContact C-N 3.27Å; E46-A48 PolarHBondContact O-N 3.48Å; E46-K49 WeakPolarHBondContact O-CB 3.21Å; E46-K49 PolarHBondContact O-N 3.03Å; E46-K49 VanDerWaalsContact O-N 3.14Å; E46-A50 PolarHBondContact O-N 3.41Å
47I94.8Very high91.6Very high0 Ų067 Ų670%034%0.337CS..Hα-helixtrans-61.3-39.5174.4-60.8163.5000110I24 K27 V28 A31 L43 M44 K49 A50 T51 L60 L85 L89I24-I47 HydrophobicContact CD1-CB 4.45Å; I24-I47 HydrophobicContact CD1-CG1 4.21Å; I24-I47 HydrophobicContact CD1-CG2 4.3Å; K27-I47 HydrophobicContact CB-CD1 4.37Å; K27-I47 HydrophobicContact CB-CG1 4.06Å; V28-I47 HydrophobicContact CG2-CD1 4.31Å; V28-I47 HydrophobicContact CG2-CG1 4.49Å; V28-I47 HydrophobicContact CG2-CG2 4.03Å; A31-I47 HydrophobicContact CB-CD1 3.66Å; L43-I47 HydrophobicContact CD1-CD1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.2Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.45Å; L43-I47 PolarHBondContact O-N 3.38Å; M44-I47 PolarHBondContact O-N 3.29Å; I47-K49 PolarHBondContact O-N 3.47Å; I47-A50 WeakPolarHBondContact O-CB 3.45Å; I47-A50 PolarHBondContact O-N 3.31Å; I47-A50 VanDerWaalsContact O-N 3.16Å; I47-T51 PolarHBondContact O-N 3.26Å; I47-L60 HydrophobicContact CG2-CD1 3.84Å; I47-L60 HydrophobicContact CG2-CD2 3.83Å; I47-L60 HydrophobicContact CG2-CG 3.91Å; I47-L85 HydrophobicContact CB-CD1 4.38Å; I47-L85 HydrophobicContact CD1-CD1 4.05Å; I47-L85 HydrophobicContact CD1-CD2 4.02Å; I47-L85 HydrophobicContact CG2-CD1 4.2Å; I47-L89 HydrophobicContact CB-CD2 4.45Å; I47-L89 HydrophobicContact CG2-CD1 4.11Å; I47-L89 HydrophobicContact CG2-CD2 4Å
48A94.5Very high91.9Very high6 Ų662.7 Ų62.75%0.0533%0.329CS..Hα-helixtrans-60.6-42.5173.900000112.7M44 E46 A50 T51 F52 Y88 L89 N92M44-A48 VanDerWaalsContact O-CB 3.31Å; M44-A48 WeakPolarHBondContact O-CB 3.17Å; M44-A48 PolarHBondContact O-N 2.91Å; E46-A48 VanDerWaalsContact C-N 3.27Å; E46-A48 PolarHBondContact O-N 3.48Å; A48-A50 VanDerWaalsContact C-N 3.34Å; A48-A50 PolarHBondContact O-N 3.43Å; A48-T51 PolarHBondContact O-N 3.13Å; A48-T51 PolarHBondContact O-OG1 3.46Å; A48-F52 WeakPolarHBondContact O-CD2 3.46Å; A48-F52 WeakPolarHBondContact O-CE2 3.31Å; A48-Y88 HydrophobicContact CB-CD1 4.36Å; A48-Y88 HydrophobicContact CB-CE1 3.83Å; A48-L89 VanDerWaalsContact CA-CD2 3.47Å; A48-L89 HydrophobicContact CB-CD2 3.79Å; A48-N92 HydrophobicContact CB-CB 4.36Å
49K92.7Very high92.2Very high148 Ų14864.3 Ų64.364%0.64333%0.326SS*.Hα-helixtrans-59.9-43.9172.3-69165.6-172.5174.50111.3G45 E46 I47 T51 F52G45-K49 WeakPolarHBondContact O-CG 3.42Å; G45-K49 PolarHBondContact O-N 3.23Å; G45-K49 VanDerWaalsContact O-N 3.07Å; E46-K49 WeakPolarHBondContact O-CB 3.21Å; E46-K49 PolarHBondContact O-N 3.03Å; E46-K49 VanDerWaalsContact O-N 3.14Å; I47-K49 PolarHBondContact O-N 3.47Å; K49-T51 VanDerWaalsContact C-N 3.32Å; K49-T51 PolarHBondContact O-N 2.88Å; K49-F52 PolarHBondContact O-N 3.13Å
50A93Very high92.5Very high10 Ų1063.4 Ų63.48%0.08332%0.32CS..Hα-helixtrans-63.2-32178.800000113.5I24 E46 I47 A48 F52 M53 L60I24-A50 HydrophobicContact CD1-CB 3.35Å; I24-A50 HydrophobicContact CG1-CB 3.89Å; E46-A50 PolarHBondContact O-N 3.41Å; I47-A50 WeakPolarHBondContact O-CB 3.45Å; I47-A50 PolarHBondContact O-N 3.31Å; I47-A50 VanDerWaalsContact O-N 3.16Å; A48-A50 VanDerWaalsContact C-N 3.34Å; A48-A50 PolarHBondContact O-N 3.43Å; A50-F52 PolarHBondContact O-N 3.45Å; A50-M53 WeakPolarHBondContact O-CB 3.33Å; A50-M53 PolarHBondContact O-N 2.78Å; A50-L60 HydrophobicContact CB-CD1 4Å
51T94.4Very high92.7Very high0 Ų060.2 Ų60.20%030%0.297CS..THydrogen-bonded Turntrans-60.4-17.4175.564.30000114.4I47 A48 K49 L60 L89 G93 S94 V97I47-T51 PolarHBondContact O-N 3.26Å; A48-T51 PolarHBondContact O-N 3.13Å; A48-T51 PolarHBondContact O-OG1 3.46Å; K49-T51 VanDerWaalsContact C-N 3.32Å; K49-T51 PolarHBondContact O-N 2.88Å; T51-L60 HydrophobicContact CG2-CD1 3.52Å; T51-L60 HydrophobicContact CG2-CD2 4.1Å; T51-L60 HydrophobicContact CG2-CG 4.5Å; T51-L89 HydrophobicContact CG2-CD1 4.23Å; T51-L89 HydrophobicContact CG2-CD2 3.95Å; T51-G93 VanDerWaalsContact OG1-CA 3.3Å; T51-G93 WeakPolarHBondContact OG1-CA 3.42Å; T51-S94 WeakPolarHBondContact O-CB 3.39Å; T51-S94 PolarHBondContact O-OG 2.91Å; T51-S94 PolarHBondContact OG1-N 3.25Å; T51-V97 HydrophobicContact CG2-CG2 3.74Å
52F92.8Very high93Very high121 Ų12163.2 Ų63.253%0.53130%0.302SS..THydrogen-bonded Turntrans-81.7-17.9173.9-66.1-87.7000113.3A48 K49 A50 G93A48-F52 WeakPolarHBondContact O-CD2 3.46Å; A48-F52 WeakPolarHBondContact O-CE2 3.31Å; K49-F52 PolarHBondContact O-N 3.13Å; A50-F52 PolarHBondContact O-N 3.45Å; F52-G93 VanDerWaalsContact CZ-C 3.41Å; F52-G93 WeakPolarHBondContact CZ-O 3.46Å
53M93.5Very high93.1Very high98 Ų9857.2 Ų57.248%0.48327%0.274SS..SBendtrans-76.7133.5176.4-58.3-60.79500109.5A50 E55 Q56 F57A50-M53 WeakPolarHBondContact O-CB 3.33Å; A50-M53 PolarHBondContact O-N 2.78Å; M53-E55 PolarHBondContact O-N 2.98Å; M53-Q56 HydrophobicContact CB-CB 4.18Å; M53-Q56 HydrophobicContact CB-CG 4.37Å; M53-F57 WeakPolarHBondContact O-CB 3.2Å; M53-F57 PolarHBondContact O-N 3.36Å
54Y90.4Very high93.2Very high191 Ų19156.4 Ų56.475%0.74927%0.27SS*.THydrogen-bonded Turntrans-64.4-45.6-173.5-178.7-101.1000112.4P58 R96Y54-P58 WeakPolarHBondContact O-CD 3.36Å; Y54-R96 PolarHBondContact O-NH1 2.93Å; Y54-R96 VanDerWaalsContact O-NH1 3.15Å
55E90.9Very high93.3Very high161 Ų16155.9 Ų55.975%0.75227%0.267SS*.THydrogen-bonded Turntrans-72.7-43.3-174-176.9172.2-141.500113.6M53 P58M53-E55 PolarHBondContact O-N 2.98Å; E55-P58 VanDerWaalsContact O-CD 3.31Å; E55-P58 WeakPolarHBondContact O-CD 3.44Å
56Q89.4Confident93.4Very high66 Ų6656.6 Ų56.631%0.30827%0.27SS..Hα-helixtrans-76.3-23.4-178.1-67.1178.4-3.900113.6I24 M53 E59 L60I24-Q56 HydrophobicContact CG2-CB 4.09Å; I24-Q56 HydrophobicContact CG2-CG 4.3Å; M53-Q56 HydrophobicContact CB-CB 4.18Å; M53-Q56 HydrophobicContact CB-CG 4.37Å; Q56-E59 PolarHBondContact O-N 2.91Å; Q56-L60 VanDerWaalsContact O-CB 3.22Å; Q56-L60 WeakPolarHBondContact O-CB 3.39Å; Q56-L60 PolarHBondContact O-N 3.21Å
57F93.9Very high93.3Very high17 Ų1755 Ų558%0.07526%0.261CS..Hα-helixtrans-61.3-45.1-173.8171-84.9000114.7M53 L60 M61 R96 V97M53-F57 WeakPolarHBondContact O-CB 3.2Å; M53-F57 PolarHBondContact O-N 3.36Å; F57-L60 PolarHBondContact O-N 3.5Å; F57-M61 HydrophobicContact CD2-CG 4.08Å; F57-M61 HydrophobicContact CE1-CG 4.04Å; F57-M61 HydrophobicContact CE2-CG 3.56Å; F57-M61 HydrophobicContact CE2-SD 4.33Å; F57-M61 HydrophobicContact CZ-CG 3.53Å; F57-M61 PolarHBondContact O-N 3.35Å; F57-R96 VanDerWaalsContact CB-NH1 3.32Å; F57-R96 HydrophobicContact CD1-CB 4.49Å; F57-R96 HydrophobicContact CD2-CB 4.09Å; F57-R96 HydrophobicContact CE1-CB 3.93Å; F57-R96 HydrophobicContact CE2-CB 3.46Å; F57-R96 VanDerWaalsContact CE2-CB 3.46Å; F57-R96 HydrophobicContact CZ-CB 3.38Å; F57-R96 WeakPolarHBondContact CZ-O 3.2Å; F57-V97 HydrophobicContact CE2-CG2 3.92Å
58P93.4Very high93.2Very high68 Ų6855 Ų5544%0.44226%0.261SS..Hα-helixtrans-63.9-40.9178.8-22.135.2000112.5Y54 E55 N62Y54-P58 WeakPolarHBondContact O-CD 3.36Å; E55-P58 VanDerWaalsContact O-CD 3.31Å; E55-P58 WeakPolarHBondContact O-CD 3.44Å; P58-N62 WeakPolarHBondContact O-CB 3.33Å; P58-N62 PolarHBondContact O-N 3.06Å
59E92.4Very high93.1Very high76 Ų7656.7 Ų56.736%0.35527%0.269SS..Hα-helixtrans-60.9-52.4175.3-57.5-177.1160.600110.7S22 I24 E25 Q56 M61 N62 M63S22-E59 WeakPolarHBondContact CB-OE2 3.46Å; S22-E59 PolarHBondContact OG-OE2 3.17Å; I24-E59 HydrophobicContact CG2-CB 4.43Å; E25-E59 HydrophobicContact CG-CB 4.12Å; Q56-E59 PolarHBondContact O-N 2.91Å; E59-M61 PolarHBondContact O-N 3.2Å; E59-N62 PolarHBondContact O-N 3.46Å; E59-M63 VanDerWaalsContact O-CB 3.27Å; E59-M63 WeakPolarHBondContact O-CB 3.49Å; E59-M63 PolarHBondContact O-N 2.83Å
60L95Very high92.9Very high0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-54.1-52.6178.9-171.9176.4000111.7I24 V28 I47 A50 T51 Q56 F57 L64 L89I24-L60 HydrophobicContact CD1-CD1 3.83Å; I24-L60 HydrophobicContact CD1-CG 4.07Å; I24-L60 HydrophobicContact CG1-CB 3.8Å; I24-L60 HydrophobicContact CG1-CD1 3.71Å; I24-L60 HydrophobicContact CG1-CG 3.73Å; V28-L60 HydrophobicContact CG2-CD2 4.08Å; V28-L60 HydrophobicContact CG2-CG 3.9Å; I47-L60 HydrophobicContact CG2-CD1 3.84Å; I47-L60 HydrophobicContact CG2-CD2 3.83Å; I47-L60 HydrophobicContact CG2-CG 3.91Å; A50-L60 HydrophobicContact CB-CD1 4Å; T51-L60 HydrophobicContact CG2-CD1 3.52Å; T51-L60 HydrophobicContact CG2-CD2 4.1Å; T51-L60 HydrophobicContact CG2-CG 4.5Å; Q56-L60 VanDerWaalsContact O-CB 3.22Å; Q56-L60 WeakPolarHBondContact O-CB 3.39Å; Q56-L60 PolarHBondContact O-N 3.21Å; F57-L60 PolarHBondContact O-N 3.5Å; L60-L64 WeakPolarHBondContact O-CB 3.45Å; L60-L64 PolarHBondContact O-N 2.95Å; L60-L89 HydrophobicContact CD2-CD1 4.1Å
61M95.2Very high92.4Very high4 Ų461.3 Ų61.32%0.0229%0.294CS..Hα-helixtrans-71.1-40-177.9-72.1-56.6-53.600112.5F57 E59 L64 W65 L86 V97F57-M61 HydrophobicContact CD2-CG 4.08Å; F57-M61 HydrophobicContact CE1-CG 4.04Å; F57-M61 HydrophobicContact CE2-CG 3.56Å; F57-M61 HydrophobicContact CE2-SD 4.33Å; F57-M61 HydrophobicContact CZ-CG 3.53Å; F57-M61 PolarHBondContact O-N 3.35Å; E59-M61 PolarHBondContact O-N 3.2Å; M61-L64 HydrophobicContact CE-CD2 4.21Å; M61-L64 PolarHBondContact O-N 3.18Å; M61-L64 HydrophobicContact SD-CD2 4.24Å; M61-W65 HydrophobicContact CE-CZ2 4.04Å; M61-W65 PolarHBondContact O-N 2.85Å; M61-L86 HydrophobicContact CE-CD1 4.15Å; M61-V97 HydrophobicContact SD-CG1 4.25Å; M61-V97 HydrophobicContact SD-CG2 4.48Å
62N94.3Very high92Very high108 Ų10862.7 Ų62.758%0.57830%0.301SS*.Hα-helixtrans-64-43.3176.4-171.30.3000110.8P58 E59 L64 W65 S66P58-N62 WeakPolarHBondContact O-CB 3.33Å; P58-N62 PolarHBondContact O-N 3.06Å; E59-N62 PolarHBondContact O-N 3.46Å; N62-L64 VanDerWaalsContact C-N 3.33Å; N62-L64 PolarHBondContact O-N 3.38Å; N62-W65 PolarHBondContact O-N 2.88Å; N62-S66 WeakPolarHBondContact O-CB 3.29Å; N62-S66 PolarHBondContact O-N 2.89Å
63M93.8Very high91.6Very high14 Ų1465.2 Ų65.27%0.06931%0.312CS..Hα-helixtrans-60.6-41.2173.2-175.854.562.900111.7Y21 E25 V28 R29 E59 R67Y21-M63 HydrophobicContact CD1-CE 3.86Å; Y21-M63 HydrophobicContact CE1-CE 3.61Å; Y21-M63 HydrophobicContact CG-CE 4.48Å; E25-M63 HydrophobicContact CB-CE 4.15Å; E25-M63 HydrophobicContact CB-CG 4.21Å; E25-M63 HydrophobicContact CG-CB 4.12Å; E25-M63 HydrophobicContact CG-CE 4.14Å; E25-M63 HydrophobicContact CG-CG 4.33Å; E25-M63 WeakPolarHBondContact OE1-CE 3.19Å; V28-M63 HydrophobicContact CB-CG 4.1Å; V28-M63 HydrophobicContact CG1-CB 4.24Å; V28-M63 HydrophobicContact CG1-CG 3.83Å; R29-M63 HydrophobicContact CG-CG 4.22Å; R29-M63 HydrophobicContact CG-SD 3.79Å; E59-M63 VanDerWaalsContact O-CB 3.27Å; E59-M63 WeakPolarHBondContact O-CB 3.49Å; E59-M63 PolarHBondContact O-N 2.83Å; M63-R67 HydrophobicContact CG-CG 4.41Å; M63-R67 VanDerWaalsContact O-CB 3.32Å; M63-R67 WeakPolarHBondContact O-CB 3.19Å; M63-R67 WeakPolarHBondContact O-CG 3.15Å; M63-R67 PolarHBondContact O-N 3.1Å; M63-R67 HydrophobicContact SD-CG 3.9Å
64L95.1Very high91.1Very high0 Ų068.9 Ų68.90%033%0.325CS..Hα-helixtrans-63.1-51.2176.7-178.856.6000112.6V28 T32 L60 M61 N62 R67 M68 L85 L86 L89V28-L64 HydrophobicContact CG1-CB 4.17Å; V28-L64 HydrophobicContact CG1-CD1 4.5Å; T32-L64 HydrophobicContact CG2-CD1 4.16Å; L60-L64 WeakPolarHBondContact O-CB 3.45Å; L60-L64 PolarHBondContact O-N 2.95Å; M61-L64 HydrophobicContact CE-CD2 4.21Å; M61-L64 PolarHBondContact O-N 3.18Å; M61-L64 HydrophobicContact SD-CD2 4.24Å; N62-L64 VanDerWaalsContact C-N 3.33Å; N62-L64 PolarHBondContact O-N 3.38Å; L64-R67 PolarHBondContact O-N 3.25Å; L64-M68 WeakPolarHBondContact O-CB 3.43Å; L64-M68 PolarHBondContact O-N 3.44Å; L64-L85 HydrophobicContact CD1-CD2 3.95Å; L64-L85 HydrophobicContact CD1-CG 4.36Å; L64-L86 HydrophobicContact CD2-CB 4.24Å; L64-L86 HydrophobicContact CD2-CD1 4.22Å; L64-L89 HydrophobicContact CD2-CD1 4.03Å
65W94.9Very high91Very high14 Ų1462 Ų625%0.05330%0.301CS..Hα-helixtrans-62.5-43.7176.6-68.1127.1000111.7M61 N62 R67 M68 L69 L86 S100 H104 L108M61-W65 HydrophobicContact CE-CZ2 4.04Å; M61-W65 PolarHBondContact O-N 2.85Å; N62-W65 PolarHBondContact O-N 2.88Å; W65-R67 VanDerWaalsContact C-N 3.34Å; W65-R67 PolarHBondContact O-N 3.28Å; W65-M68 HydrophobicContact CE3-CE 4.31Å; W65-M68 HydrophobicContact CE3-SD 4.11Å; W65-M68 HydrophobicContact CZ3-CE 4.12Å; W65-M68 HydrophobicContact CZ3-SD 3.89Å; W65-M68 PolarHBondContact O-N 3.01Å; W65-L69 HydrophobicContact CB-CD1 4.45Å; W65-L69 HydrophobicContact CE3-CD1 4.25Å; W65-L69 WeakPolarHBondContact O-CB 3.28Å; W65-L69 WeakPolarHBondContact O-CG 3.44Å; W65-L69 PolarHBondContact O-N 3.06Å; W65-L86 HydrophobicContact CH2-CD2 3.45Å; W65-L86 VanDerWaalsContact CH2-CD2 3.45Å; W65-L86 HydrophobicContact CZ2-CD2 4.14Å; W65-L86 HydrophobicContact CZ3-CD2 3.91Å; W65-S100 PolarHBondContact NE1-OG 2.78Å; W65-H104 AromaticContact CD1-CE1 3.99Å; W65-H104 AromaticContact CD1-NE2 3.95Å; W65-H104 HydrophobicContact CD2-CB 4.17Å; W65-H104 AromaticContact CE2-CG 3.62Å; W65-H104 AromaticContact CE2-ND1 3.74Å; W65-H104 HydrophobicContact CE3-CB 4.22Å; W65-H104 HydrophobicContact CH2-CB 3.65Å; W65-H104 HydrophobicContact CZ2-CB 3.57Å; W65-H104 AromaticContact CZ2-CG 3.87Å; W65-H104 HydrophobicContact CZ3-CB 3.97Å; W65-H104 AromaticContact NE1-CE1 3.71Å; W65-H104 AromaticContact NE1-CG 3.75Å; W65-H104 AromaticContact NE1-ND1 3.48Å; W65-H104 PolarHBondContact NE1-ND1 3.01Å; W65-L108 HydrophobicContact CH2-CD1 4.12Å; W65-L108 HydrophobicContact CH2-CD2 4.08Å; W65-L108 HydrophobicContact CH2-CG 3.97Å; W65-L108 HydrophobicContact CZ3-CD2 3.78Å; W65-L108 HydrophobicContact CZ3-CG 3.95Å
66S93.6Very high91.1Very high30 Ų3055.8 Ų55.821%0.2127%0.271CS..Hα-helixtrans-56.8-44.1175.3-174.20000111.9N62 K70N62-S66 WeakPolarHBondContact O-CB 3.29Å; N62-S66 PolarHBondContact O-N 2.89Å; S66-K70 VanDerWaalsContact O-CB 3.3Å; S66-K70 WeakPolarHBondContact O-CB 3.23Å; S66-K70 WeakPolarHBondContact O-CG 3.37Å; S66-K70 PolarHBondContact O-N 3.4Å; S66-K70 WeakPolarHBondContact OG-CD 3.45Å; S66-K70 WeakPolarHBondContact OG-CE 3.28Å; S66-K70 PolarHBondContact OG-NZ 3.35Å
67R92.1Very high91.3Very high24 Ų2456.3 Ų56.39%0.09127%0.27CS..Hα-helixtrans-72.2-30.1177.1-70.9-79.7-75.9-163.5-8.5113.5R29 T32 M63 L64 W65 R78R29-R67 PolarHBondContact O-NH2 3.22Å; T32-R67 PolarHBondContact O-NH2 2.95Å; T32-R67 PolarHBondContact OG1-NE 2.76Å; T32-R67 PolarHBondContact OG1-NH2 2.94Å; M63-R67 HydrophobicContact CG-CG 4.41Å; M63-R67 VanDerWaalsContact O-CB 3.32Å; M63-R67 WeakPolarHBondContact O-CB 3.19Å; M63-R67 WeakPolarHBondContact O-CG 3.15Å; M63-R67 PolarHBondContact O-N 3.1Å; M63-R67 HydrophobicContact SD-CG 3.9Å; L64-R67 PolarHBondContact O-N 3.25Å; W65-R67 VanDerWaalsContact C-N 3.34Å; W65-R67 PolarHBondContact O-N 3.28Å; R67-R78 HydrophobicContact CB-CG 4.42Å; R67-R78 VanDerWaalsContact O-CD 3.26Å; R67-R78 WeakPolarHBondContact O-CD 3.47Å; R67-R78 WeakPolarHBondContact O-CG 3.49Å
68M92.6Very high91.3Very high0 Ų057.9 Ų57.90%028%0.276CS..Hα-helixtrans-78.7-39.6-179.5-170.5-173.6-60.900112.9L64 W65 N72 V79 L83 L86 L108 L111L64-M68 WeakPolarHBondContact O-CB 3.43Å; L64-M68 PolarHBondContact O-N 3.44Å; W65-M68 HydrophobicContact CE3-CE 4.31Å; W65-M68 HydrophobicContact CE3-SD 4.11Å; W65-M68 HydrophobicContact CZ3-CE 4.12Å; W65-M68 HydrophobicContact CZ3-SD 3.89Å; W65-M68 PolarHBondContact O-N 3.01Å; M68-N72 WeakPolarHBondContact O-CB 3.39Å; M68-V79 HydrophobicContact CG-CG1 4.46Å; M68-L83 HydrophobicContact CE-CD2 4.04Å; M68-L83 HydrophobicContact CE-CG 4.3Å; M68-L83 HydrophobicContact SD-CD2 3.76Å; M68-L83 HydrophobicContact SD-CG 4.19Å; M68-L86 HydrophobicContact CE-CB 4.19Å; M68-L86 HydrophobicContact CE-CD2 3.86Å; M68-L108 HydrophobicContact SD-CD2 3.88Å; M68-L111 HydrophobicContact CG-CD1 3.96Å; M68-L111 HydrophobicContact SD-CD1 3.88Å
69L91.1Very high91.3Very high40 Ų4054.7 Ų54.721%0.20926%0.255CS..Hα-helixtrans-102.8-36-166.5-58.2172.5000113.4W65 N72 D107 L111W65-L69 HydrophobicContact CB-CD1 4.45Å; W65-L69 HydrophobicContact CE3-CD1 4.25Å; W65-L69 WeakPolarHBondContact O-CB 3.28Å; W65-L69 WeakPolarHBondContact O-CG 3.44Å; W65-L69 PolarHBondContact O-N 3.06Å; L69-N72 VanDerWaalsContact O-CG 3.31Å; L69-N72 PolarHBondContact O-ND2 2.92Å; L69-D107 HydrophobicContact CD1-CB 3.67Å; L69-D107 HydrophobicContact CD2-CB 4.01Å; L69-L111 HydrophobicContact CD2-CD1 4.22Å; L69-L111 HydrophobicContact CD2-CG 4.47Å
70K88.7Confident91.4Very high121 Ų12154.2 Ų54.253%0.52625%0.25SC..THydrogen-bonded Turntrans-81.1135.3-176.9-56.7175.2-170.5160.10111.1S66 N72S66-K70 VanDerWaalsContact O-CB 3.3Å; S66-K70 WeakPolarHBondContact O-CB 3.23Å; S66-K70 WeakPolarHBondContact O-CG 3.37Å; S66-K70 PolarHBondContact O-N 3.4Å; S66-K70 WeakPolarHBondContact OG-CD 3.45Å; S66-K70 WeakPolarHBondContact OG-CE 3.28Å; S66-K70 PolarHBondContact OG-NZ 3.35Å; K70-N72 PolarHBondContact O-N 3.48Å
71D83Confident91.4Very high135 Ų13554.5 Ų54.572%0.72225%0.251SS*.THydrogen-bonded Turntrans49.931-179.1-58-48.5000114.5K73 N75D71-K73 VanDerWaalsContact C-N 3.31Å; D71-K73 PolarHBondContact O-N 3.13Å; D71-N75 PolarHBondContact O-ND2 3.29Å
72N85.5Confident91.4Very high28 Ų2854.3 Ų54.315%0.1525%0.251CS..THydrogen-bonded Turntrans-67.8-25.2-173.365.20000113.8M68 L69 K70 K74 N75 V79 Y114M68-N72 WeakPolarHBondContact O-CB 3.39Å; L69-N72 VanDerWaalsContact O-CG 3.31Å; L69-N72 PolarHBondContact O-ND2 2.92Å; K70-N72 PolarHBondContact O-N 3.48Å; N72-K74 PolarHBondContact O-N 2.68Å; N72-K74 VanDerWaalsContact O-N 3.13Å; N72-N75 PolarHBondContact O-N 3.41Å; N72-V79 HydrophobicContact CB-CG2 3.6Å; N72-Y114 HydrophobicContact CB-CE2 4.35Å; N72-Y114 PolarHBondContact O-OH 2.9Å
73K84.1Confident91.5Very high175 Ų17549.2 Ų49.276%0.76122%0.223SC*.THydrogen-bonded Turntrans-61.5-20.8-173.9-63.6-172.2179.3-178.10115.6D71D71-K73 VanDerWaalsContact C-N 3.31Å; D71-K73 PolarHBondContact O-N 3.13Å
74K84.5Confident91.6Very high175 Ų17550.7 Ų50.776%0.76123%0.231SC*.THydrogen-bonded Turntrans-110.7-20.4177.5-65-173.4178-175.40113.6N72N72-K74 PolarHBondContact O-N 2.68Å; N72-K74 VanDerWaalsContact O-N 3.13Å
75N88.4Confident91.6Very high46 Ų4650.7 Ų50.725%0.24623%0.231CC..  trans-109.953.5-167.1-57.1-68.5000111.2D71 N72 R77 R78 V79D71-N75 PolarHBondContact O-ND2 3.29Å; N72-N75 PolarHBondContact O-N 3.41Å; N75-R77 PolarHBondContact O-N 2.8Å; N75-R77 VanDerWaalsContact O-N 3.1Å; N75-R78 HydrophobicContact CB-CB 4.13Å; N75-R78 WeakPolarHBondContact O-CB 3.32Å; N75-R78 PolarHBondContact O-N 2.91Å; N75-R78 VanDerWaalsContact O-N 3.09Å; N75-V79 PolarHBondContact O-N 3.48Å
76W91.6Very high91.7Very high31 Ų3150 Ų5012%0.11723%0.229CC..Hα-helixtrans-55.4-33.1-173.773.8-96000113.1V79 Y80 Y114 F116 Q124 I128W76-V79 PolarHBondContact O-N 2.98Å; W76-Y80 WeakPolarHBondContact O-CB 3.1Å; W76-Y80 PolarHBondContact O-N 3.35Å; W76-Y114 WeakPolarHBondContact CA-OH 3.37Å; W76-Y114 HydrophobicContact CB-CE1 4.13Å; W76-Y114 WeakPolarHBondContact CB-OH 3.19Å; W76-F116 HydrophobicContact CB-CB 4.34Å; W76-F116 HydrophobicContact CB-CD1 4.22Å; W76-F116 HydrophobicContact CB-CD2 4.37Å; W76-F116 HydrophobicContact CB-CG 4.04Å; W76-F116 AromaticContact CD1-CD1 3.45Å; W76-F116 VanDerWaalsContact CD1-CD1 3.45Å; W76-F116 AromaticContact CD1-CE1 3.2Å; W76-F116 AromaticContact CD1-CG 3.99Å; W76-F116 AromaticContact CD1-CZ 3.54Å; W76-F116 AromaticContact CG-CD1 3.94Å; W76-F116 HydrophobicContact CG-CD1 3.94Å; W76-F116 HydrophobicContact CG-CE1 4.13Å; W76-F116 HydrophobicContact CG-CG 4.26Å; W76-F116 AromaticContact NE1-CE1 3.58Å; W76-Q124 HydrophobicContact CD2-CB 3.67Å; W76-Q124 HydrophobicContact CD2-CG 4.21Å; W76-Q124 HydrophobicContact CE3-CB 3.94Å; W76-Q124 HydrophobicContact CG-CB 4.13Å; W76-Q124 HydrophobicContact CH2-CB 4.23Å; W76-Q124 HydrophobicContact CH2-CG 4.28Å; W76-Q124 HydrophobicContact CZ2-CB 3.98Å; W76-Q124 HydrophobicContact CZ2-CG 3.72Å; W76-Q124 HydrophobicContact CZ3-CB 4.22Å; W76-I128 HydrophobicContact CB-CD1 3.92Å
77R93.4Very high91.7Very high77 Ų7748.9 Ų48.929%0.29122%0.221SC..Hα-helixtrans-60-50.9176.6-66.5-175.2174.8-80.5-0.5111.5D34 P36 N75 V79 Y80 K81D34-R77 WeakPolarHBondContact O-CD 3.47Å; P36-R77 PolarHBondContact O-NH1 2.93Å; N75-R77 PolarHBondContact O-N 2.8Å; N75-R77 VanDerWaalsContact O-N 3.1Å; R77-V79 PolarHBondContact O-N 3.24Å; R77-Y80 PolarHBondContact O-N 3.22Å; R77-K81 WeakPolarHBondContact O-CG 3.2Å; R77-K81 PolarHBondContact O-N 3.02Å
78R93.7Very high91.9Very high50 Ų5050.8 Ų50.819%0.18923%0.228CC..Hα-helixtrans-55.6-45.1174-174.5-178-54.6167.57112.9T32 D34 R67 N75 S82T32-R78 WeakPolarHBondContact O-CG 3.48Å; D34-R78 WeakPolarHBondContact OD1-CB 3.42Å; D34-R78 PolarHBondContact OD1-N 2.59Å; D34-R78 IonicContact OD2-CZ 3.37Å; D34-R78 IonicContact OD2-NE 3.17Å; D34-R78 PolarHBondContact OD2-NE 3.19Å; D34-R78 VanDerWaalsContact OD2-NE 3.17Å; D34-R78 IonicContact OD2-NH2 2.72Å; D34-R78 PolarHBondContact OD2-NH2 3.15Å; R67-R78 HydrophobicContact CB-CG 4.42Å; R67-R78 VanDerWaalsContact O-CD 3.26Å; R67-R78 WeakPolarHBondContact O-CD 3.47Å; R67-R78 WeakPolarHBondContact O-CG 3.49Å; N75-R78 HydrophobicContact CB-CB 4.13Å; N75-R78 WeakPolarHBondContact O-CB 3.32Å; N75-R78 PolarHBondContact O-N 2.91Å; N75-R78 VanDerWaalsContact O-N 3.09Å; R78-S82 WeakPolarHBondContact O-CB 3.37Å; R78-S82 PolarHBondContact O-N 3.41Å; R78-S82 PolarHBondContact O-OG 3.34Å
79V94.4Very high92Very high0 Ų050.8 Ų50.80%023%0.228CC..Hα-helixtrans-60.1-51.4177.1-174.30000110.3M68 N72 N75 W76 R77 K81 S82 L83 L111 Y114 I128M68-V79 HydrophobicContact CG-CG1 4.46Å; N72-V79 HydrophobicContact CB-CG2 3.6Å; N75-V79 PolarHBondContact O-N 3.48Å; W76-V79 PolarHBondContact O-N 2.98Å; R77-V79 PolarHBondContact O-N 3.24Å; V79-K81 PolarHBondContact O-N 2.94Å; V79-S82 PolarHBondContact O-N 2.9Å; V79-L83 HydrophobicContact CG1-CD1 4.09Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 3.05Å; V79-L111 HydrophobicContact CG1-CD1 4.18Å; V79-L111 HydrophobicContact CG1-CD2 4.39Å; V79-Y114 HydrophobicContact CG2-CE2 4.25Å; V79-I128 HydrophobicContact CB-CD1 4.05Å; V79-I128 HydrophobicContact CG1-CD1 4.16Å; V79-I128 HydrophobicContact CG1-CG1 4.48Å; V79-I128 HydrophobicContact CG1-CG2 4.03Å
80Y94.6Very high92.2Very high66 Ų6648.9 Ų48.926%0.25922%0.218SC..Hα-helixtrans-62.7-43.4-178.9-173.6-110.5000112.6W76 R77 L83 L84 N127 I128 K131W76-Y80 WeakPolarHBondContact O-CB 3.1Å; W76-Y80 PolarHBondContact O-N 3.35Å; R77-Y80 PolarHBondContact O-N 3.22Å; Y80-L83 PolarHBondContact O-N 3.28Å; Y80-L84 HydrophobicContact CD1-CD1 4.02Å; Y80-L84 HydrophobicContact CD1-CG 4.46Å; Y80-L84 HydrophobicContact CE1-CD1 3.64Å; Y80-L84 HydrophobicContact CE1-CG 4.16Å; Y80-L84 WeakPolarHBondContact O-CG 3.33Å; Y80-L84 PolarHBondContact O-N 3.04Å; Y80-N127 HydrophobicContact CD2-CB 4.34Å; Y80-N127 HydrophobicContact CE2-CB 4.02Å; Y80-I128 HydrophobicContact CD2-CG1 4.04Å; Y80-I128 HydrophobicContact CG-CG1 4.46Å; Y80-K131 HydrophobicContact CE2-CB 4.14Å; Y80-K131 HydrophobicContact CE2-CG 4.31Å
81K95.1Very high92.4Very high7 Ų746.6 Ų46.63%0.0321%0.206CC..Hα-helixtrans-67.3-35.9175.5-66-169-149-172.20112.9N33 D35 W37 R77 V79 L83 L84 L85N33-K81 VanDerWaalsContact O-CD 3.22Å; N33-K81 WeakPolarHBondContact O-CD 3.34Å; N33-K81 WeakPolarHBondContact O-CE 3.31Å; N33-K81 PolarHBondContact O-NZ 2.9Å; N33-K81 PolarHBondContact OD1-NZ 3.39Å; D35-K81 VanDerWaalsContact O-CE 3.3Å; D35-K81 WeakPolarHBondContact O-CE 3.43Å; D35-K81 PolarHBondContact O-NZ 2.81Å; W37-K81 WeakPolarHBondContact O-CE 3.45Å; W37-K81 PolarHBondContact O-NZ 2.96Å; R77-K81 WeakPolarHBondContact O-CG 3.2Å; R77-K81 PolarHBondContact O-N 3.02Å; V79-K81 PolarHBondContact O-N 2.94Å; K81-L83 VanDerWaalsContact C-N 3.31Å; K81-L83 PolarHBondContact O-N 3.12Å; K81-L84 PolarHBondContact O-N 3.41Å; K81-L85 WeakPolarHBondContact O-CB 3.34Å; K81-L85 PolarHBondContact O-N 2.63Å
82S95.5Very high92.8Very high0 Ų042.8 Ų42.80%019%0.186CC..Hα-helixtrans-62.3-39.8173.4-56.90000111.4T32 R78 V79 L85 L86T32-S82 VanDerWaalsContact CG2-OG 3.27Å; T32-S82 WeakPolarHBondContact CG2-OG 3.34Å; R78-S82 WeakPolarHBondContact O-CB 3.37Å; R78-S82 PolarHBondContact O-N 3.41Å; R78-S82 PolarHBondContact O-OG 3.34Å; V79-S82 PolarHBondContact O-N 2.9Å; S82-L85 PolarHBondContact O-N 3.17Å; S82-L86 WeakPolarHBondContact O-CB 3.3Å; S82-L86 PolarHBondContact O-N 2.83Å
83L95.6Very high93.2Very high0 Ų041.5 Ų41.50%018%0.179CC..Hα-helixtrans-68.5-39.5175.1-69.9162.9000112.6M68 V79 Y80 K81 L86 A87 L108 L111 I128 K131 V132 L135M68-L83 HydrophobicContact CE-CD2 4.04Å; M68-L83 HydrophobicContact CE-CG 4.3Å; M68-L83 HydrophobicContact SD-CD2 3.76Å; M68-L83 HydrophobicContact SD-CG 4.19Å; V79-L83 HydrophobicContact CG1-CD1 4.09Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 3.05Å; Y80-L83 PolarHBondContact O-N 3.28Å; K81-L83 VanDerWaalsContact C-N 3.31Å; K81-L83 PolarHBondContact O-N 3.12Å; L83-L86 PolarHBondContact O-N 3.09Å; L83-A87 VanDerWaalsContact O-CB 3.31Å; L83-A87 WeakPolarHBondContact O-CB 3.3Å; L83-A87 PolarHBondContact O-N 3.24Å; L83-L108 HydrophobicContact CD2-CD2 3.87Å; L83-L111 HydrophobicContact CD2-CD1 4.35Å; L83-I128 HydrophobicContact CD1-CG2 3.85Å; L83-K131 HydrophobicContact CB-CG 4.33Å; L83-V132 HydrophobicContact CD1-CG2 3.57Å; L83-V132 HydrophobicContact CD2-CG2 3.88Å; L83-V132 HydrophobicContact CG-CG2 4.4Å; L83-L135 HydrophobicContact CD2-CD2 3.76Å
84L95.3Very high93.7Very high46 Ų4633.5 Ų33.524%0.24115%0.145CC..Hα-helixtrans-62.5-44.1172.9-70.7178000111.9Y80 K81 A87 Y88Y80-L84 HydrophobicContact CD1-CD1 4.02Å; Y80-L84 HydrophobicContact CD1-CG 4.46Å; Y80-L84 HydrophobicContact CE1-CD1 3.64Å; Y80-L84 HydrophobicContact CE1-CG 4.16Å; Y80-L84 WeakPolarHBondContact O-CG 3.33Å; Y80-L84 PolarHBondContact O-N 3.04Å; K81-L84 PolarHBondContact O-N 3.41Å; L84-A87 PolarHBondContact O-N 3.24Å; L84-Y88 PolarHBondContact O-N 3.01Å
85L96Very high94.1Very high0 Ų030 Ų300%013%0.132CC..Hα-helixtrans-62.8-48.7175.6176.657.4000110.6V28 A31 T32 M44 I47 L64 K81 S82 A87 Y88 L89V28-L85 HydrophobicContact CG1-CD2 4.45Å; A31-L85 HydrophobicContact CB-CD2 3.98Å; T32-L85 HydrophobicContact CG2-CD2 4.22Å; M44-L85 HydrophobicContact CB-CD1 4.28Å; M44-L85 HydrophobicContact CG-CD1 3.99Å; I47-L85 HydrophobicContact CB-CD1 4.38Å; I47-L85 HydrophobicContact CD1-CD1 4.05Å; I47-L85 HydrophobicContact CD1-CD2 4.02Å; I47-L85 HydrophobicContact CG2-CD1 4.2Å; L64-L85 HydrophobicContact CD1-CD2 3.95Å; L64-L85 HydrophobicContact CD1-CG 4.36Å; K81-L85 WeakPolarHBondContact O-CB 3.34Å; K81-L85 PolarHBondContact O-N 2.63Å; S82-L85 PolarHBondContact O-N 3.17Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 3.05Å; L85-Y88 WeakPolarHBondContact O-CB 3.48Å; L85-Y88 PolarHBondContact O-N 2.9Å; L85-Y88 VanDerWaalsContact O-N 3.08Å; L85-L89 HydrophobicContact CD1-CD1 4.01Å; L85-L89 HydrophobicContact CD1-CD2 4.23Å; L85-L89 HydrophobicContact CD1-CG 3.93Å; L85-L89 HydrophobicContact CG-CD1 4.01Å; L85-L89 HydrophobicContact CG-CG 4.33Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.08Å
86L96.5Very high94.4Very high0 Ų031.6 Ų31.60%013%0.134CC..Hα-helixtrans-58.5-44.7177.1-176.757.5000111.9M61 L64 W65 M68 S82 L83 Y88 L89 I90 V97 L108 L135M61-L86 HydrophobicContact CE-CD1 4.15Å; L64-L86 HydrophobicContact CD2-CB 4.24Å; L64-L86 HydrophobicContact CD2-CD1 4.22Å; W65-L86 HydrophobicContact CH2-CD2 3.45Å; W65-L86 VanDerWaalsContact CH2-CD2 3.45Å; W65-L86 HydrophobicContact CZ2-CD2 4.14Å; W65-L86 HydrophobicContact CZ3-CD2 3.91Å; M68-L86 HydrophobicContact CE-CB 4.19Å; M68-L86 HydrophobicContact CE-CD2 3.86Å; S82-L86 WeakPolarHBondContact O-CB 3.3Å; S82-L86 PolarHBondContact O-N 2.83Å; L83-L86 PolarHBondContact O-N 3.09Å; L86-Y88 VanDerWaalsContact C-N 3.3Å; L86-Y88 PolarHBondContact O-N 3.45Å; L86-L89 PolarHBondContact O-N 3.37Å; L86-I90 HydrophobicContact CD1-CD1 3.98Å; L86-I90 HydrophobicContact CD1-CG1 4.11Å; L86-I90 HydrophobicContact CG-CD1 3.92Å; L86-I90 HydrophobicContact CG-CG1 4.44Å; L86-I90 WeakPolarHBondContact O-CG1 3.19Å; L86-I90 PolarHBondContact O-N 3.35Å; L86-V97 HydrophobicContact CD1-CG1 3.92Å; L86-L108 HydrophobicContact CD2-CD1 4.36Å; L86-L108 HydrophobicContact CD2-CD2 4.02Å; L86-L135 HydrophobicContact CB-CD2 4.34Å; L86-L135 HydrophobicContact CD2-CD2 3.98Å; L86-L135 HydrophobicContact CG-CD2 4.17Å
87A94.9Very high94.6Very high5 Ų530.1 Ų30.14%0.04113%0.129CC..Hα-helixtrans-59.8-37.8174.800000112.8L83 L84 L85 R91 L135L83-A87 VanDerWaalsContact O-CB 3.31Å; L83-A87 WeakPolarHBondContact O-CB 3.3Å; L83-A87 PolarHBondContact O-N 3.24Å; L84-A87 PolarHBondContact O-N 3.24Å; L85-A87 VanDerWaalsContact C-N 3.34Å; L85-A87 PolarHBondContact O-N 3.05Å; A87-R91 WeakPolarHBondContact O-CD 3.4Å; A87-R91 VanDerWaalsContact O-CG 3.29Å; A87-R91 WeakPolarHBondContact O-CG 3.45Å; A87-R91 PolarHBondContact O-N 3.08Å; A87-L135 HydrophobicContact CB-CD1 3.75Å
88Y95.1Very high94.7Very high65 Ų6526.7 Ų26.726%0.25512%0.116SC..Hα-helixtrans-68.7-42.2174.6-176.1-88000112.2M44 A48 L84 L85 L86 R91 N92M44-Y88 VanDerWaalsContact C-CE1 3.49Å; M44-Y88 HydrophobicContact CB-CD1 3.63Å; M44-Y88 HydrophobicContact CB-CD2 4.4Å; M44-Y88 HydrophobicContact CB-CE1 3.81Å; M44-Y88 HydrophobicContact CB-CG 3.95Å; M44-Y88 HydrophobicContact CE-CD2 4.26Å; M44-Y88 WeakPolarHBondContact O-CE1 3.34Å; M44-Y88 HydrophobicContact SD-CD2 4.39Å; M44-Y88 HydrophobicContact SD-CG 4.08Å; A48-Y88 HydrophobicContact CB-CD1 4.36Å; A48-Y88 HydrophobicContact CB-CE1 3.83Å; L84-Y88 PolarHBondContact O-N 3.01Å; L85-Y88 WeakPolarHBondContact O-CB 3.48Å; L85-Y88 PolarHBondContact O-N 2.9Å; L85-Y88 VanDerWaalsContact O-N 3.08Å; L86-Y88 VanDerWaalsContact C-N 3.3Å; L86-Y88 PolarHBondContact O-N 3.45Å; Y88-R91 CarbonylContact O-C 3.6Å; Y88-R91 PolarHBondContact O-N 3.39Å; Y88-R91 VanDerWaalsContact O-N 3.14Å; Y88-N92 HydrophobicContact CD1-CB 4.23Å; Y88-N92 HydrophobicContact CE1-CB 3.77Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.38Å; Y88-N92 WeakPolarHBondContact O-CB 3.2Å; Y88-N92 PolarHBondContact O-N 2.98Å; Y88-N92 PolarHBondContact O-ND2 3.18Å
89L95.1Very high94.7Very high0 Ų027.9 Ų27.90%013%0.13CC..Hα-helixtrans-68.3-37179.4-63.2177.2000112.2I47 A48 T51 L60 L64 L85 L86 R91 N92 G93 V97I47-L89 HydrophobicContact CB-CD2 4.45Å; I47-L89 HydrophobicContact CG2-CD1 4.11Å; I47-L89 HydrophobicContact CG2-CD2 4Å; A48-L89 VanDerWaalsContact CA-CD2 3.47Å; A48-L89 HydrophobicContact CB-CD2 3.79Å; T51-L89 HydrophobicContact CG2-CD1 4.23Å; T51-L89 HydrophobicContact CG2-CD2 3.95Å; L60-L89 HydrophobicContact CD2-CD1 4.1Å; L64-L89 HydrophobicContact CD2-CD1 4.03Å; L85-L89 HydrophobicContact CD1-CD1 4.01Å; L85-L89 HydrophobicContact CD1-CD2 4.23Å; L85-L89 HydrophobicContact CD1-CG 3.93Å; L85-L89 HydrophobicContact CG-CD1 4.01Å; L85-L89 HydrophobicContact CG-CG 4.33Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.08Å; L86-L89 PolarHBondContact O-N 3.37Å; L89-R91 PolarHBondContact O-N 2.86Å; L89-N92 PolarHBondContact O-N 3.15Å; L89-G93 VanDerWaalsContact O-CA 3.3Å; L89-G93 WeakPolarHBondContact O-CA 3.35Å; L89-G93 PolarHBondContact O-N 3.24Å; L89-V97 HydrophobicContact CB-CG1 3.75Å; L89-V97 HydrophobicContact CB-CG2 4.29Å
90I94.7Very high94.7Very high0 Ų028.3 Ų28.30%013%0.133CC..Hα-helixtrans-65.1-24172.2-67.4174.7000111.4L86 V97 A101 L135 F138 L145 R149L86-I90 HydrophobicContact CD1-CD1 3.98Å; L86-I90 HydrophobicContact CD1-CG1 4.11Å; L86-I90 HydrophobicContact CG-CD1 3.92Å; L86-I90 HydrophobicContact CG-CG1 4.44Å; L86-I90 WeakPolarHBondContact O-CG1 3.19Å; L86-I90 PolarHBondContact O-N 3.35Å; I90-V97 HydrophobicContact CG1-CG1 3.8Å; I90-A101 HydrophobicContact CD1-CB 3.57Å; I90-A101 HydrophobicContact CG1-CB 4.36Å; I90-L135 HydrophobicContact CD1-CD1 3.95Å; I90-F138 HydrophobicContact CG2-CD1 4.07Å; I90-F138 HydrophobicContact CG2-CE1 3.74Å; I90-L145 HydrophobicContact CG2-CD1 3.47Å; I90-L145 VanDerWaalsContact CG2-CD1 3.47Å; I90-R149 WeakPolarHBondContact O-CD 3.44Å; I90-R149 PolarHBondContact O-NH1 3.01Å
91R93.3Very high94.8Very high72 Ų7225.2 Ų25.227%0.27212%0.12SC..Hα-helixtrans-91.9-30176.1-66.7171-172.9163.24.8114.4A87 Y88 L89 E134 F138A87-R91 WeakPolarHBondContact O-CD 3.4Å; A87-R91 VanDerWaalsContact O-CG 3.29Å; A87-R91 WeakPolarHBondContact O-CG 3.45Å; A87-R91 PolarHBondContact O-N 3.08Å; Y88-R91 CarbonylContact O-C 3.6Å; Y88-R91 PolarHBondContact O-N 3.39Å; Y88-R91 VanDerWaalsContact O-N 3.14Å; L89-R91 PolarHBondContact O-N 2.86Å; R91-E134 IonicContact NH2-OE1 3.01Å; R91-E134 PolarHBondContact NH2-OE1 3.14Å; R91-F138 HydrophobicContact CG-CE1 3.53Å; R91-F138 HydrophobicContact CG-CZ 3.73Å
92N92.6Very high94.8Very high55 Ų5528.7 Ų28.729%0.29413%0.133SC..Hα-helixtrans-129.7-16.8-168.1-60.8-89.6000115.9A48 Y88 L89A48-N92 HydrophobicContact CB-CB 4.36Å; Y88-N92 HydrophobicContact CD1-CB 4.23Å; Y88-N92 HydrophobicContact CE1-CB 3.77Å; Y88-N92 WeakPolarHBondContact CE2-ND2 3.38Å; Y88-N92 WeakPolarHBondContact O-CB 3.2Å; Y88-N92 PolarHBondContact O-N 2.98Å; Y88-N92 PolarHBondContact O-ND2 3.18Å; L89-N92 PolarHBondContact O-N 3.15Å
93G92.9Very high94.8Very high1 Ų134.7 Ų34.71%0.0116%0.161CC..SBendtrans-88.2-167.2-178.300000113.6T51 F52 L89 R149T51-G93 VanDerWaalsContact OG1-CA 3.3Å; T51-G93 WeakPolarHBondContact OG1-CA 3.42Å; F52-G93 VanDerWaalsContact CZ-C 3.41Å; F52-G93 WeakPolarHBondContact CZ-O 3.46Å; L89-G93 VanDerWaalsContact O-CA 3.3Å; L89-G93 WeakPolarHBondContact O-CA 3.35Å; L89-G93 PolarHBondContact O-N 3.24Å; G93-R149 PolarHBondContact O-NH1 3.12Å; G93-R149 PolarHBondContact O-NH2 3.27Å
94S94.4Very high94.8Very high7 Ų737.2 Ų37.25%0.04917%0.173CC..  trans-70.5160.8178.775.20000113.1T51 R96 V97 R149T51-S94 WeakPolarHBondContact O-CB 3.39Å; T51-S94 PolarHBondContact O-OG 2.91Å; T51-S94 PolarHBondContact OG1-N 3.25Å; S94-R96 PolarHBondContact O-N 2.94Å; S94-V97 WeakPolarHBondContact O-CB 3.21Å; S94-V97 WeakPolarHBondContact O-CG2 3.17Å; S94-V97 PolarHBondContact O-N 3.5Å; S94-R149 VanDerWaalsContact C-NH2 3.29Å; S94-R149 PolarHBondContact O-NH2 2.84Å
95E93.1Very high94.8Very high102 Ų10236 Ų3648%0.47717%0.167SC..Hα-helixtrans-64.5-27.6-179.1-148.264.9-157.800112.4V97 V98 T99 R149E95-V97 PolarHBondContact O-N 3.27Å; E95-V97 VanDerWaalsContact O-N 3.13Å; E95-V98 VanDerWaalsContact O-CB 3.28Å; E95-V98 WeakPolarHBondContact O-CB 3.46Å; E95-V98 PolarHBondContact O-N 3.3Å; E95-T99 PolarHBondContact O-N 2.88Å; E95-R149 IonicContact OE1-NE 3.89Å; E95-R149 IonicContact OE2-CZ 2.67Å; E95-R149 IonicContact OE2-NE 3.32Å; E95-R149 PolarHBondContact OE2-NE 3.45Å; E95-R149 IonicContact OE2-NH2 3.1Å; E95-R149 PolarHBondContact OE2-NH2 3.33Å
96R94.6Very high94.7Very high79 Ų7944.9 Ų44.930%0.29820%0.202SC..Hα-helixtrans-57.4-28.2177.2-58.4170.572.3-170.47.6112.4Y54 F57 S94 V98 T99 S100Y54-R96 PolarHBondContact O-NH1 2.93Å; Y54-R96 VanDerWaalsContact O-NH1 3.15Å; F57-R96 VanDerWaalsContact CB-NH1 3.32Å; F57-R96 HydrophobicContact CD1-CB 4.49Å; F57-R96 HydrophobicContact CD2-CB 4.09Å; F57-R96 HydrophobicContact CE1-CB 3.93Å; F57-R96 HydrophobicContact CE2-CB 3.46Å; F57-R96 VanDerWaalsContact CE2-CB 3.46Å; F57-R96 HydrophobicContact CZ-CB 3.38Å; F57-R96 WeakPolarHBondContact CZ-O 3.2Å; S94-R96 PolarHBondContact O-N 2.94Å; R96-V98 VanDerWaalsContact C-N 3.31Å; R96-T99 PolarHBondContact O-N 2.8Å; R96-S100 PolarHBondContact O-N 3.43Å
97V95.8Very high94.7Very high0 Ų048.1 Ų48.10%022%0.219CC..Hα-helixtrans-63-40.1174.9-175.20000110.7T51 F57 M61 L86 L89 I90 S94 E95 S100 A101T51-V97 HydrophobicContact CG2-CG2 3.74Å; F57-V97 HydrophobicContact CE2-CG2 3.92Å; M61-V97 HydrophobicContact SD-CG1 4.25Å; M61-V97 HydrophobicContact SD-CG2 4.48Å; L86-V97 HydrophobicContact CD1-CG1 3.92Å; L89-V97 HydrophobicContact CB-CG1 3.75Å; L89-V97 HydrophobicContact CB-CG2 4.29Å; I90-V97 HydrophobicContact CG1-CG1 3.8Å; S94-V97 WeakPolarHBondContact O-CB 3.21Å; S94-V97 WeakPolarHBondContact O-CG2 3.17Å; S94-V97 PolarHBondContact O-N 3.5Å; E95-V97 PolarHBondContact O-N 3.27Å; E95-V97 VanDerWaalsContact O-N 3.13Å; V97-S100 PolarHBondContact O-N 3.01Å; V97-A101 WeakPolarHBondContact O-CB 3.17Å; V97-A101 PolarHBondContact O-N 3.35Å
98V95.1Very high94.7Very high5 Ų547.9 Ų47.93%0.0322%0.217CC..Hα-helixtrans-65-45.9178-1730000109.9E95 R96 S100 A101 R102 L145E95-V98 VanDerWaalsContact O-CB 3.28Å; E95-V98 WeakPolarHBondContact O-CB 3.46Å; E95-V98 PolarHBondContact O-N 3.3Å; R96-V98 VanDerWaalsContact C-N 3.31Å; V98-S100 PolarHBondContact O-N 2.89Å; V98-A101 PolarHBondContact O-N 3.2Å; V98-R102 WeakPolarHBondContact O-CG 3.42Å; V98-R102 PolarHBondContact O-N 3.06Å; V98-L145 HydrophobicContact CB-CD2 4.34Å; V98-L145 HydrophobicContact CG1-CD2 3.45Å; V98-L145 VanDerWaalsContact CG1-CD2 3.45Å; V98-L145 HydrophobicContact CG2-CD2 3.93Å
99T95.1Very high94.6Very high76 Ų7648.8 Ų48.847%0.46622%0.22SC..Hα-helixtrans-56.7-50.7175.5-40.30000110.7E95 R96 A101 R102 E103E95-T99 PolarHBondContact O-N 2.88Å; R96-T99 PolarHBondContact O-N 2.8Å; T99-A101 VanDerWaalsContact C-N 3.33Å; T99-A101 PolarHBondContact O-N 3.32Å; T99-R102 PolarHBondContact O-N 2.92Å; T99-E103 WeakPolarHBondContact O-CG 3.34Å; T99-E103 PolarHBondContact O-N 3.42Å
100S94.6Very high94.6Very high9 Ų952.2 Ų52.26%0.06324%0.243CC..Hα-helixtrans-64.8-34.1179.8-1670000113.5W65 R96 V97 V98 R102 E103 H104W65-S100 PolarHBondContact NE1-OG 2.78Å; R96-S100 PolarHBondContact O-N 3.43Å; V97-S100 PolarHBondContact O-N 3.01Å; V98-S100 PolarHBondContact O-N 2.89Å; S100-R102 VanDerWaalsContact C-N 3.32Å; S100-E103 WeakPolarHBondContact CA-OE2 3.41Å; S100-E103 PolarHBondContact O-N 3.12Å; S100-H104 PolarHBondContact O-N 3.23Å; S100-H104 PolarHBondContact O-ND1 3.28Å
101A95.4Very high94.5Very high0 Ų052.3 Ų52.30%024%0.244CC..Hα-helixtrans-69.1-28173.400000113.4I90 V97 V98 T99 I105I90-A101 HydrophobicContact CD1-CB 3.57Å; I90-A101 HydrophobicContact CG1-CB 4.36Å; V97-A101 WeakPolarHBondContact O-CB 3.17Å; V97-A101 PolarHBondContact O-N 3.35Å; V98-A101 PolarHBondContact O-N 3.2Å; T99-A101 VanDerWaalsContact C-N 3.33Å; T99-A101 PolarHBondContact O-N 3.32Å; A101-I105 PolarHBondContact O-N 2.68Å
102R95.2Very high94.5Very high81 Ų8151.6 Ų51.631%0.30624%0.244SC..Hα-helixtrans-79-35.7172.8-70.9179.5-177.9173.48.8112.3V98 T99 S100 I105 A139 D142V98-R102 WeakPolarHBondContact O-CG 3.42Å; V98-R102 PolarHBondContact O-N 3.06Å; T99-R102 PolarHBondContact O-N 2.92Å; S100-R102 VanDerWaalsContact C-N 3.32Å; R102-I105 WeakPolarHBondContact O-CB 3.17Å; R102-I105 VanDerWaalsContact O-CG2 3.23Å; R102-I105 WeakPolarHBondContact O-CG2 3.42Å; R102-I105 PolarHBondContact O-N 3.37Å; R102-A139 VanDerWaalsContact CZ-O 3.27Å; R102-A139 PolarHBondContact NE-O 3.41Å; R102-A139 PolarHBondContact NH2-O 3.17Å; R102-D142 IonicContact CZ-OD1 3.57Å; R102-D142 VanDerWaalsContact CZ-OD1 3.32Å; R102-D142 IonicContact CZ-OD2 3.19Å; R102-D142 VanDerWaalsContact NH1-CG 3.27Å; R102-D142 IonicContact NH1-OD1 2.68Å; R102-D142 PolarHBondContact NH1-OD1 2.94Å; R102-D142 IonicContact NH1-OD2 2.94Å; R102-D142 PolarHBondContact NH1-OD2 3.18Å; R102-D142 IonicContact NH2-OD1 3.64Å; R102-D142 PolarHBondContact NH2-OD1 2.85Å; R102-D142 IonicContact NH2-OD2 3.54Å; R102-D142 PolarHBondContact NH2-OD2 3.44Å
103E95.6Very high94.5Very high125 Ų12555.4 Ų55.458%0.58426%0.264SS*.Hα-helixtrans-59.7-49.2171.6-69.6160.6-17600111.2T99 S100 I105T99-E103 WeakPolarHBondContact O-CG 3.34Å; T99-E103 PolarHBondContact O-N 3.42Å; S100-E103 WeakPolarHBondContact CA-OE2 3.41Å; S100-E103 PolarHBondContact O-N 3.12Å; E103-I105 VanDerWaalsContact C-N 3.27Å; E103-I105 PolarHBondContact O-N 3.29Å
104H95.6Very high94.5Very high53 Ų5356.1 Ų56.125%0.24527%0.266CS..THydrogen-bonded Turntrans-90.222.8-178.1-59.177.7000112.8W65 S100 Y106 D107 L108W65-H104 AromaticContact CD1-CE1 3.99Å; W65-H104 AromaticContact CD1-NE2 3.95Å; W65-H104 HydrophobicContact CD2-CB 4.17Å; W65-H104 AromaticContact CE2-CG 3.62Å; W65-H104 AromaticContact CE2-ND1 3.74Å; W65-H104 HydrophobicContact CE3-CB 4.22Å; W65-H104 HydrophobicContact CH2-CB 3.65Å; W65-H104 HydrophobicContact CZ2-CB 3.57Å; W65-H104 AromaticContact CZ2-CG 3.87Å; W65-H104 HydrophobicContact CZ3-CB 3.97Å; W65-H104 AromaticContact NE1-CE1 3.71Å; W65-H104 AromaticContact NE1-CG 3.75Å; W65-H104 AromaticContact NE1-ND1 3.48Å; W65-H104 PolarHBondContact NE1-ND1 3.01Å; S100-H104 PolarHBondContact O-N 3.23Å; S100-H104 PolarHBondContact O-ND1 3.28Å; H104-Y106 PolarHBondContact O-N 2.91Å; H104-D107 HydrophobicContact CB-CB 4.41Å; H104-D107 IonicContact CD2-OD2 3.97Å; H104-D107 IonicContact CG-OD2 3.33Å; H104-D107 WeakPolarHBondContact O-CB 3.16Å; H104-D107 PolarHBondContact O-N 2.69Å; H104-D107 VanDerWaalsContact O-N 3.12Å; H104-L108 PolarHBondContact O-N 3.19Å
105I95.1Very high94.4Very high21 Ų2162.1 Ų62.111%0.10829%0.293CS..Hα-helixtrans-65-29.4-175.7-161.7166.6000112.4A101 R102 E103 L108 R109 V136 Q140A101-I105 PolarHBondContact O-N 2.68Å; R102-I105 WeakPolarHBondContact O-CB 3.17Å; R102-I105 VanDerWaalsContact O-CG2 3.23Å; R102-I105 WeakPolarHBondContact O-CG2 3.42Å; R102-I105 PolarHBondContact O-N 3.37Å; E103-I105 VanDerWaalsContact C-N 3.27Å; E103-I105 PolarHBondContact O-N 3.29Å; I105-L108 PolarHBondContact O-N 3.04Å; I105-R109 WeakPolarHBondContact O-CB 3.43Å; I105-R109 VanDerWaalsContact O-CG 3.28Å; I105-R109 WeakPolarHBondContact O-CG 3.18Å; I105-R109 PolarHBondContact O-N 3.3Å; I105-V136 HydrophobicContact CD1-CG1 4.2Å; I105-V136 HydrophobicContact CG1-CG1 4.16Å; I105-Q140 HydrophobicContact CD1-CG 3.6Å
106Y95.4Very high94.4Very high187 Ų18759 Ų5973%0.73328%0.279SS*.Hα-helixtrans-71-36.2174.1-64.8-72.6000112.4H104 R109 S110H104-Y106 PolarHBondContact O-N 2.91Å; Y106-R109 PolarHBondContact O-N 3.15Å; Y106-S110 PolarHBondContact O-N 3.25Å
107D94.8Very high94.2Very high67 Ų6758.4 Ų58.436%0.35828%0.283SS..Hα-helixtrans-66.2-41.5173.3-60.7-60.5000111.2L69 H104 S110L69-D107 HydrophobicContact CD1-CB 3.67Å; L69-D107 HydrophobicContact CD2-CB 4.01Å; H104-D107 HydrophobicContact CB-CB 4.41Å; H104-D107 IonicContact CD2-OD2 3.97Å; H104-D107 IonicContact CG-OD2 3.33Å; H104-D107 WeakPolarHBondContact O-CB 3.16Å; H104-D107 PolarHBondContact O-N 2.69Å; H104-D107 VanDerWaalsContact O-N 3.12Å; D107-S110 WeakPolarHBondContact O-CB 3.33Å; D107-S110 PolarHBondContact O-N 3.49Å; D107-S110 PolarHBondContact O-OG 3.08Å
108L94.7Very high93.8Very high0 Ų060.2 Ų60.20%029%0.293CS..Hα-helixtrans-58.6-48.2170-71.5176.1000110.9W65 M68 L83 L86 H104 I105 S110 L111 V132 L135 V136W65-L108 HydrophobicContact CH2-CD1 4.12Å; W65-L108 HydrophobicContact CH2-CD2 4.08Å; W65-L108 HydrophobicContact CH2-CG 3.97Å; W65-L108 HydrophobicContact CZ3-CD2 3.78Å; W65-L108 HydrophobicContact CZ3-CG 3.95Å; M68-L108 HydrophobicContact SD-CD2 3.88Å; L83-L108 HydrophobicContact CD2-CD2 3.87Å; L86-L108 HydrophobicContact CD2-CD1 4.36Å; L86-L108 HydrophobicContact CD2-CD2 4.02Å; H104-L108 PolarHBondContact O-N 3.19Å; I105-L108 PolarHBondContact O-N 3.04Å; L108-S110 PolarHBondContact O-N 3.04Å; L108-L111 WeakPolarHBondContact O-CA 3.49Å; L108-L111 WeakPolarHBondContact O-CB 3.39Å; L108-L111 PolarHBondContact O-N 2.97Å; L108-V132 WeakPolarHBondContact O-CG1 3.46Å; L108-L135 HydrophobicContact CD2-CD2 4.39Å; L108-V136 HydrophobicContact CB-CG2 3.77Å; L108-V136 HydrophobicContact CD1-CG2 4.33Å
109R94.5Very high93.5Very high85 Ų8569 Ų6932%0.32133%0.334SS..Hα-helixtrans-60.6-29.2177.7-73.4-173.6-178.7-73.74.1113.5I105 Y106 L111 E112 V136I105-R109 WeakPolarHBondContact O-CB 3.43Å; I105-R109 VanDerWaalsContact O-CG 3.28Å; I105-R109 WeakPolarHBondContact O-CG 3.18Å; I105-R109 PolarHBondContact O-N 3.3Å; Y106-R109 PolarHBondContact O-N 3.15Å; R109-L111 PolarHBondContact O-N 3.5Å; R109-E112 IonicContact CZ-OE1 2.63Å; R109-E112 IonicContact NH1-OE1 3.64Å; R109-E112 PolarHBondContact NH1-OE1 3.27Å; R109-E112 IonicContact NH1-OE2 3.53Å; R109-E112 WeakPolarHBondContact O-CB 3.46Å; R109-E112 PolarHBondContact O-N 2.7Å; R109-V136 HydrophobicContact CG-CG1 4.34Å; R109-V136 HydrophobicContact CG-CG2 4.49Å; R109-V136 VanDerWaalsContact CZ-CG1 3.41Å; R109-V136 VanDerWaalsContact NH2-CG1 3.33Å
110S93.8Very high93.2Very high71 Ų7173.4 Ų73.450%0.49735%0.349SS..Hα-helixtrans-59-27.7172.284.70000113Y106 D107 L108Y106-S110 PolarHBondContact O-N 3.25Å; D107-S110 WeakPolarHBondContact O-CB 3.33Å; D107-S110 PolarHBondContact O-N 3.49Å; D107-S110 PolarHBondContact O-OG 3.08Å; L108-S110 PolarHBondContact O-N 3.04Å
111L93.3Very high93Very high2 Ų275.8 Ų75.81%0.0138%0.375CS..G310 helixtrans-85.1-9178.5-53.8175.1000113.5M68 L69 V79 L83 L108 R109 N113 Y114 I128 V132M68-L111 HydrophobicContact CG-CD1 3.96Å; M68-L111 HydrophobicContact SD-CD1 3.88Å; L69-L111 HydrophobicContact CD2-CD1 4.22Å; L69-L111 HydrophobicContact CD2-CG 4.47Å; V79-L111 HydrophobicContact CG1-CD1 4.18Å; V79-L111 HydrophobicContact CG1-CD2 4.39Å; L83-L111 HydrophobicContact CD2-CD1 4.35Å; L108-L111 WeakPolarHBondContact O-CA 3.49Å; L108-L111 WeakPolarHBondContact O-CB 3.39Å; L108-L111 PolarHBondContact O-N 2.97Å; R109-L111 PolarHBondContact O-N 3.5Å; L111-N113 PolarHBondContact O-N 3.18Å; L111-Y114 HydrophobicContact CD2-CD2 4.12Å; L111-Y114 WeakPolarHBondContact O-CB 3.34Å; L111-Y114 PolarHBondContact O-N 3.49Å; L111-I128 HydrophobicContact CB-CG2 4.48Å; L111-V132 HydrophobicContact CB-CB 4.47Å; L111-V132 HydrophobicContact CB-CG1 4.22Å; L111-V132 HydrophobicContact CB-CG2 3.55Å; L111-V132 HydrophobicContact CD1-CG2 4.35Å
112E93.4Very high92.8Very high57 Ų5781.3 Ų81.327%0.26640%0.399SS..G310 helixtrans-61.6-28.3172.6-69.4176.517800111.4R109 R129 V132R109-E112 IonicContact CZ-OE1 2.63Å; R109-E112 IonicContact NH1-OE1 3.64Å; R109-E112 PolarHBondContact NH1-OE1 3.27Å; R109-E112 IonicContact NH1-OE2 3.53Å; R109-E112 WeakPolarHBondContact O-CB 3.46Å; R109-E112 PolarHBondContact O-N 2.7Å; E112-R129 WeakPolarHBondContact O-CB 3.44Å; E112-R129 WeakPolarHBondContact O-CD 3.4Å; E112-R129 WeakPolarHBondContact O-CG 3.21Å; E112-V132 HydrophobicContact CG-CG1 3.61Å
113N92.8Very high92.7Very high135 Ų13579.4 Ų79.472%0.72240%0.395SS*.G310 helixtrans-100.515.8176.3-65.8-67.5000113.2L111 H115L111-N113 PolarHBondContact O-N 3.18Å; N113-H115 PolarHBondContact O-N 2.89Å
114Y93.2Very high92.5Very high16 Ų1674.3 Ų74.36%0.06337%0.371CS..  trans-64.2120.7-177.8-175.4-85.9000112.1N72 W76 V79 L111 F116 I128 R129N72-Y114 HydrophobicContact CB-CE2 4.35Å; N72-Y114 PolarHBondContact O-OH 2.9Å; W76-Y114 WeakPolarHBondContact CA-OH 3.37Å; W76-Y114 HydrophobicContact CB-CE1 4.13Å; W76-Y114 WeakPolarHBondContact CB-OH 3.19Å; V79-Y114 HydrophobicContact CG2-CE2 4.25Å; L111-Y114 HydrophobicContact CD2-CD2 4.12Å; L111-Y114 WeakPolarHBondContact O-CB 3.34Å; L111-Y114 PolarHBondContact O-N 3.49Å; Y114-F116 HydrophobicContact CD1-CB 4.47Å; Y114-F116 HydrophobicContact CE1-CB 3.62Å; Y114-I128 HydrophobicContact CD1-CB 4.03Å; Y114-I128 HydrophobicContact CD1-CD1 3.62Å; Y114-I128 HydrophobicContact CD1-CG1 4.44Å; Y114-I128 HydrophobicContact CD1-CG2 3.92Å; Y114-I128 HydrophobicContact CE1-CD1 3.36Å; Y114-I128 HydrophobicContact CG-CB 4.49Å; Y114-I128 HydrophobicContact CG-CD1 4.45Å; Y114-I128 HydrophobicContact CG-CG2 3.89Å; Y114-R129 WeakPolarHBondContact O-CD 3.41Å; Y114-R129 WeakPolarHBondContact O-CG 3.36Å; Y114-R129 PolarHBondContact O-NH1 3.38Å
115H92Very high92.3Very high133 Ų13371.8 Ų71.862%0.61636%0.359SS*.  trans-117.5124.6-179.9-176.776.9000110.5N113N113-H115 PolarHBondContact O-N 2.89Å
116F91.6Very high92.3Very high37 Ų3775 Ų7516%0.16238%0.376CS..  trans-147.2119.6172.3-179.9-81.6000108.8W76 Y114 D118 D123 Q124 G125W76-F116 HydrophobicContact CB-CB 4.34Å; W76-F116 HydrophobicContact CB-CD1 4.22Å; W76-F116 HydrophobicContact CB-CD2 4.37Å; W76-F116 HydrophobicContact CB-CG 4.04Å; W76-F116 AromaticContact CD1-CD1 3.45Å; W76-F116 VanDerWaalsContact CD1-CD1 3.45Å; W76-F116 AromaticContact CD1-CE1 3.2Å; W76-F116 AromaticContact CD1-CG 3.99Å; W76-F116 AromaticContact CD1-CZ 3.54Å; W76-F116 AromaticContact CG-CD1 3.94Å; W76-F116 HydrophobicContact CG-CD1 3.94Å; W76-F116 HydrophobicContact CG-CE1 4.13Å; W76-F116 HydrophobicContact CG-CG 4.26Å; W76-F116 AromaticContact NE1-CE1 3.58Å; Y114-F116 HydrophobicContact CD1-CB 4.47Å; Y114-F116 HydrophobicContact CE1-CB 3.62Å; F116-D118 HydrophobicContact CE1-CB 4.22Å; F116-D123 WeakPolarHBondContact O-CA 3.31Å; F116-Q124 HydrophobicContact CD1-CB 4.02Å; F116-Q124 HydrophobicContact CD1-CG 4.2Å; F116-Q124 HydrophobicContact CE1-CG 4.38Å; F116-Q124 PolarHBondContact O-N 3.48Å; F116-G125 PolarHBondContact O-N 3.28Å
117V90.6Very high92.2Very high66 Ų6669.4 Ų69.440%0.436%0.359SS..BIsolated β-bridgetrans-105.8128.4171.3179.90000108.1G121 K122V117-G121 VanDerWaalsContact CG1-C 3.46Å; V117-K122 WeakPolarHBondContact CA-O 3.38Å
118D88.8Confident92.2Very high38 Ų3866.2 Ų66.220%0.20334%0.342CS..  trans-71.1165179.7-141-26.5000111.9F116 H120 G121 K122 Q124F116-D118 HydrophobicContact CE1-CB 4.22Å; D118-H120 PolarHBondContact O-N 2.96Å; D118-G121 PolarHBondContact O-N 2.92Å; D118-K122 HydrophobicContact CB-CB 4.33Å; D118-K122 WeakPolarHBondContact CB-O 3.29Å; D118-K122 PolarHBondContact N-O 2.92Å; D118-Q124 HydrophobicContact CB-CG 4.03Å; D118-Q124 PolarHBondContact OD2-NE2 2.82Å
119E89Confident92.2Very high189 Ų18969.3 Ų69.388%0.88335%0.353SS*.THydrogen-bonded Turntrans-59.7-22.7177.4-64.4-178.517300112.3G121E119-G121 VanDerWaalsContact C-N 3.31Å; E119-G121 PolarHBondContact O-N 3.06Å
120H88.5Confident92.3Very high169 Ų16971.1 Ų71.178%0.78237%0.365SS*.THydrogen-bonded Turntrans-87.214.6173.5-50.8-49.9000114.3D118 K122D118-H120 PolarHBondContact O-N 2.96Å; H120-K122 VanDerWaalsContact C-N 3.27Å; H120-K122 PolarHBondContact O-N 3.24Å
121G89.2Confident92.3Very high60 Ų6069.7 Ų69.762%0.61935%0.35SS*.SBendtrans74.37.8178.900000115.5V117 D118 E119V117-G121 VanDerWaalsContact CG1-C 3.46Å; D118-G121 PolarHBondContact O-N 2.92Å; E119-G121 VanDerWaalsContact C-N 3.31Å; E119-G121 PolarHBondContact O-N 3.06Å
122K91.4Very high92.5Very high115 Ų11569.6 Ų69.650%0.535%0.35SS..  trans-91124.3-176.2-173-170.7175.5-145.10111.8V117 D118 H120 Q124V117-K122 WeakPolarHBondContact CA-O 3.38Å; D118-K122 HydrophobicContact CB-CB 4.33Å; D118-K122 WeakPolarHBondContact CB-O 3.29Å; D118-K122 PolarHBondContact N-O 2.92Å; H120-K122 VanDerWaalsContact C-N 3.27Å; H120-K122 PolarHBondContact O-N 3.24Å; K122-Q124 PolarHBondContact O-N 3.29Å; K122-Q124 VanDerWaalsContact O-N 3.1Å
123D92.9Very high92.6Very high42 Ų4272.9 Ų72.923%0.22536%0.363CS..BIsolated β-bridgetrans-65.9108.6167.5-173.6-9.8000109.9F116 G125 I126 R129F116-D123 WeakPolarHBondContact O-CA 3.31Å; D123-G125 WeakPolarHBondContact OD1-CA 3.33Å; D123-G125 PolarHBondContact OD1-N 3.27Å; D123-I126 WeakPolarHBondContact O-CG2 3.46Å; D123-I126 PolarHBondContact OD1-N 3.32Å; D123-R129 IonicContact OD1-NH1 2.78Å; D123-R129 PolarHBondContact OD1-NH1 2.96Å; D123-R129 IonicContact OD2-CZ 3.02Å; D123-R129 IonicContact OD2-NH1 3.25Å; D123-R129 PolarHBondContact OD2-NH1 3.46Å; D123-R129 IonicContact OD2-NH2 3.72Å; D123-R129 PolarHBondContact OD2-NH2 3.5Å
124Q91.7Very high92.7Very high17 Ų1768.8 Ų68.88%0.07934%0.34CS..  trans-90.4-24.8171.3-53.7-77.724.400110.7W76 F116 D118 K122 I126 N127W76-Q124 HydrophobicContact CD2-CB 3.67Å; W76-Q124 HydrophobicContact CD2-CG 4.21Å; W76-Q124 HydrophobicContact CE3-CB 3.94Å; W76-Q124 HydrophobicContact CG-CB 4.13Å; W76-Q124 HydrophobicContact CH2-CB 4.23Å; W76-Q124 HydrophobicContact CH2-CG 4.28Å; W76-Q124 HydrophobicContact CZ2-CB 3.98Å; W76-Q124 HydrophobicContact CZ2-CG 3.72Å; W76-Q124 HydrophobicContact CZ3-CB 4.22Å; F116-Q124 HydrophobicContact CD1-CB 4.02Å; F116-Q124 HydrophobicContact CD1-CG 4.2Å; F116-Q124 HydrophobicContact CE1-CG 4.38Å; F116-Q124 PolarHBondContact O-N 3.48Å; D118-Q124 HydrophobicContact CB-CG 4.03Å; D118-Q124 PolarHBondContact OD2-NE2 2.82Å; K122-Q124 PolarHBondContact O-N 3.29Å; K122-Q124 VanDerWaalsContact O-N 3.1Å; Q124-I126 PolarHBondContact O-N 2.89Å; Q124-N127 PolarHBondContact O-N 3.48Å; Q124-N127 PolarHBondContact O-ND2 3.01Å
125G92.6Very high92.8Very high0 Ų068.1 Ų68.10%034%0.337CS..Hα-helixtrans-60-27.4177.400000113.8F116 D123 N127 I128 R129F116-G125 PolarHBondContact O-N 3.28Å; D123-G125 WeakPolarHBondContact OD1-CA 3.33Å; D123-G125 PolarHBondContact OD1-N 3.27Å; G125-N127 PolarHBondContact O-N 2.99Å; G125-I128 CarbonylContact O-C 3.49Å; G125-I128 WeakPolarHBondContact O-CA 3.43Å; G125-I128 WeakPolarHBondContact O-CB 3.43Å; G125-I128 PolarHBondContact O-N 3.01Å; G125-R129 VanDerWaalsContact C-NH1 3.33Å; G125-R129 WeakPolarHBondContact O-CG 3.4Å; G125-R129 PolarHBondContact O-N 2.63Å
126I93.9Very high93Very high90 Ų9061.9 Ų61.946%0.46231%0.308SS..Hα-helixtrans-53.7-37.2175.6-165.9169.9000113D123 Q124 I128 R129 Q130D123-I126 WeakPolarHBondContact O-CG2 3.46Å; D123-I126 PolarHBondContact OD1-N 3.32Å; Q124-I126 PolarHBondContact O-N 2.89Å; I126-I128 VanDerWaalsContact C-N 3.33Å; I126-R129 PolarHBondContact O-N 2.88Å; I126-Q130 WeakPolarHBondContact O-CB 3.42Å; I126-Q130 PolarHBondContact O-N 3.14Å
127N92.8Very high93.2Very high68 Ų6865.6 Ų65.636%0.36433%0.326SS..Hα-helixtrans-68.7-34.2176.9-58.8-76.6000111.9Y80 Q124 G125 K131Y80-N127 HydrophobicContact CD2-CB 4.34Å; Y80-N127 HydrophobicContact CE2-CB 4.02Å; Q124-N127 PolarHBondContact O-N 3.48Å; Q124-N127 PolarHBondContact O-ND2 3.01Å; G125-N127 PolarHBondContact O-N 2.99Å; N127-K131 WeakPolarHBondContact O-CB 3.33Å; N127-K131 PolarHBondContact O-N 2.99Å
128I94.8Very high93.3Very high0 Ų062.5 Ų62.50%031%0.308CS..Hα-helixtrans-69.5-52.8175.1-69.3162000109.1W76 V79 Y80 L83 L111 Y114 G125 I126 Q130 K131 V132W76-I128 HydrophobicContact CB-CD1 3.92Å; V79-I128 HydrophobicContact CB-CD1 4.05Å; V79-I128 HydrophobicContact CG1-CD1 4.16Å; V79-I128 HydrophobicContact CG1-CG1 4.48Å; V79-I128 HydrophobicContact CG1-CG2 4.03Å; Y80-I128 HydrophobicContact CD2-CG1 4.04Å; Y80-I128 HydrophobicContact CG-CG1 4.46Å; L83-I128 HydrophobicContact CD1-CG2 3.85Å; L111-I128 HydrophobicContact CB-CG2 4.48Å; Y114-I128 HydrophobicContact CD1-CB 4.03Å; Y114-I128 HydrophobicContact CD1-CD1 3.62Å; Y114-I128 HydrophobicContact CD1-CG1 4.44Å; Y114-I128 HydrophobicContact CD1-CG2 3.92Å; Y114-I128 HydrophobicContact CE1-CD1 3.36Å; Y114-I128 HydrophobicContact CG-CB 4.49Å; Y114-I128 HydrophobicContact CG-CD1 4.45Å; Y114-I128 HydrophobicContact CG-CG2 3.89Å; G125-I128 CarbonylContact O-C 3.49Å; G125-I128 WeakPolarHBondContact O-CA 3.43Å; G125-I128 WeakPolarHBondContact O-CB 3.43Å; G125-I128 PolarHBondContact O-N 3.01Å; I126-I128 VanDerWaalsContact C-N 3.33Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 3.07Å; I128-K131 PolarHBondContact O-N 3.23Å; I128-K131 VanDerWaalsContact O-N 3.09Å; I128-V132 HydrophobicContact CG2-CG2 4.06Å; I128-V132 WeakPolarHBondContact O-CB 3.42Å; I128-V132 WeakPolarHBondContact O-CG2 3.31Å; I128-V132 PolarHBondContact O-N 3.43Å
129R95.8Very high93.5Very high65 Ų6560.7 Ų60.725%0.24530%0.298CS..Hα-helixtrans-53.2-47.6179.3-61.1-168-62.3-877.8111.9E112 Y114 D123 G125 I126 K133E112-R129 WeakPolarHBondContact O-CB 3.44Å; E112-R129 WeakPolarHBondContact O-CD 3.4Å; E112-R129 WeakPolarHBondContact O-CG 3.21Å; Y114-R129 WeakPolarHBondContact O-CD 3.41Å; Y114-R129 WeakPolarHBondContact O-CG 3.36Å; Y114-R129 PolarHBondContact O-NH1 3.38Å; D123-R129 IonicContact OD1-NH1 2.78Å; D123-R129 PolarHBondContact OD1-NH1 2.96Å; D123-R129 IonicContact OD2-CZ 3.02Å; D123-R129 IonicContact OD2-NH1 3.25Å; D123-R129 PolarHBondContact OD2-NH1 3.46Å; D123-R129 IonicContact OD2-NH2 3.72Å; D123-R129 PolarHBondContact OD2-NH2 3.5Å; G125-R129 VanDerWaalsContact C-NH1 3.33Å; G125-R129 WeakPolarHBondContact O-CG 3.4Å; G125-R129 PolarHBondContact O-N 2.63Å; I126-R129 PolarHBondContact O-N 2.88Å; R129-K133 PolarHBondContact O-N 2.86Å; R129-K133 VanDerWaalsContact O-N 3.12Å
130Q95.8Very high93.6Very high123 Ų12356.7 Ų56.758%0.57528%0.279SS*.Hα-helixtrans-67.3-41.5177.9-175.860.322.600112.8I126 I128 K133 E134I126-Q130 WeakPolarHBondContact O-CB 3.42Å; I126-Q130 PolarHBondContact O-N 3.14Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 3.07Å; Q130-K133 PolarHBondContact O-N 3.46Å; Q130-E134 PolarHBondContact O-N 2.91Å; Q130-E134 VanDerWaalsContact O-N 3.13Å
131K94.9Very high93.8Very high42 Ų4251.7 Ų51.718%0.18326%0.258CS..Hα-helixtrans-69-36.2179.7-171.555.155.6-171.60112.4Y80 L83 N127 I128 E134 L135Y80-K131 HydrophobicContact CE2-CB 4.14Å; Y80-K131 HydrophobicContact CE2-CG 4.31Å; L83-K131 HydrophobicContact CB-CG 4.33Å; N127-K131 WeakPolarHBondContact O-CB 3.33Å; N127-K131 PolarHBondContact O-N 2.99Å; I128-K131 PolarHBondContact O-N 3.23Å; I128-K131 VanDerWaalsContact O-N 3.09Å; K131-E134 IonicContact NZ-OE1 2.7Å; K131-E134 IonicContact NZ-OE2 3.74Å; K131-E134 PolarHBondContact NZ-OE2 3.38Å; K131-L135 WeakPolarHBondContact O-CB 3.27Å; K131-L135 PolarHBondContact O-N 3.32Å
132V96.6Very high93.9Very high0 Ų051.7 Ų51.70%024%0.244CC..Hα-helixtrans-62-48.7173.1171.60000110.2L83 L108 L111 E112 I128 E134 L135 V136L83-V132 HydrophobicContact CD1-CG2 3.57Å; L83-V132 HydrophobicContact CD2-CG2 3.88Å; L83-V132 HydrophobicContact CG-CG2 4.4Å; L108-V132 WeakPolarHBondContact O-CG1 3.46Å; L111-V132 HydrophobicContact CB-CB 4.47Å; L111-V132 HydrophobicContact CB-CG1 4.22Å; L111-V132 HydrophobicContact CB-CG2 3.55Å; L111-V132 HydrophobicContact CD1-CG2 4.35Å; E112-V132 HydrophobicContact CG-CG1 3.61Å; I128-V132 HydrophobicContact CG2-CG2 4.06Å; I128-V132 WeakPolarHBondContact O-CB 3.42Å; I128-V132 WeakPolarHBondContact O-CG2 3.31Å; I128-V132 PolarHBondContact O-N 3.43Å; V132-E134 PolarHBondContact O-N 3.24Å; V132-L135 PolarHBondContact O-N 3.16Å; V132-L135 VanDerWaalsContact O-N 3.08Å; V132-V136 HydrophobicContact CG1-CG2 4.11Å; V132-V136 WeakPolarHBondContact O-CB 3.39Å; V132-V136 WeakPolarHBondContact O-CG2 3.47Å; V132-V136 PolarHBondContact O-N 2.97Å
133K95.8Very high93.9Very high126 Ų12651.4 Ų51.455%0.54825%0.248SC..Hα-helixtrans-58.6-48.4179.6-173.9175.7176.2-179.90112.2R129 Q130 L135 V136 E137R129-K133 PolarHBondContact O-N 2.86Å; R129-K133 VanDerWaalsContact O-N 3.12Å; Q130-K133 PolarHBondContact O-N 3.46Å; K133-L135 VanDerWaalsContact C-N 3.29Å; K133-L135 PolarHBondContact O-N 3.48Å; K133-V136 PolarHBondContact O-N 3.44Å; K133-E137 WeakPolarHBondContact O-CB 3.29Å; K133-E137 PolarHBondContact O-N 3.45Å
134E95.6Very high93.8Very high49 Ų4954.1 Ų54.123%0.22926%0.255CS..Hα-helixtrans-56.8-42.3173.3-179-161.3139.200111.7R91 Q130 K131 V132 F138R91-E134 IonicContact NH2-OE1 3.01Å; R91-E134 PolarHBondContact NH2-OE1 3.14Å; Q130-E134 PolarHBondContact O-N 2.91Å; Q130-E134 VanDerWaalsContact O-N 3.13Å; K131-E134 IonicContact NZ-OE1 2.7Å; K131-E134 IonicContact NZ-OE2 3.74Å; K131-E134 PolarHBondContact NZ-OE2 3.38Å; V132-E134 PolarHBondContact O-N 3.24Å; E134-F138 WeakPolarHBondContact O-CB 3.38Å; E134-F138 PolarHBondContact O-N 3.02Å
135L95.4Very high93.8Very high1 Ų153.3 Ų53.31%0.00525%0.251CS..Hα-helixtrans-71.5-40.1-176-174.659.3000112.6L83 L86 A87 I90 L108 K131 V132 K133 A139L83-L135 HydrophobicContact CD2-CD2 3.76Å; L86-L135 HydrophobicContact CB-CD2 4.34Å; L86-L135 HydrophobicContact CD2-CD2 3.98Å; L86-L135 HydrophobicContact CG-CD2 4.17Å; A87-L135 HydrophobicContact CB-CD1 3.75Å; I90-L135 HydrophobicContact CD1-CD1 3.95Å; L108-L135 HydrophobicContact CD2-CD2 4.39Å; K131-L135 WeakPolarHBondContact O-CB 3.27Å; K131-L135 PolarHBondContact O-N 3.32Å; V132-L135 PolarHBondContact O-N 3.16Å; V132-L135 VanDerWaalsContact O-N 3.08Å; K133-L135 VanDerWaalsContact C-N 3.29Å; K133-L135 PolarHBondContact O-N 3.48Å; L135-A139 WeakPolarHBondContact O-CB 3.3Å; L135-A139 PolarHBondContact O-N 3.49Å
136V95.4Very high93.7Very high2 Ų260.3 Ų60.31%0.01228%0.278CS..Hα-helixtrans-67.4-46.2177.2170.30000110.3I105 L108 R109 V132 K133 A139 Q140I105-V136 HydrophobicContact CD1-CG1 4.2Å; I105-V136 HydrophobicContact CG1-CG1 4.16Å; L108-V136 HydrophobicContact CB-CG2 3.77Å; L108-V136 HydrophobicContact CD1-CG2 4.33Å; R109-V136 HydrophobicContact CG-CG1 4.34Å; R109-V136 HydrophobicContact CG-CG2 4.49Å; R109-V136 VanDerWaalsContact CZ-CG1 3.41Å; R109-V136 VanDerWaalsContact NH2-CG1 3.33Å; V132-V136 HydrophobicContact CG1-CG2 4.11Å; V132-V136 WeakPolarHBondContact O-CB 3.39Å; V132-V136 WeakPolarHBondContact O-CG2 3.47Å; V132-V136 PolarHBondContact O-N 2.97Å; K133-V136 PolarHBondContact O-N 3.44Å; V136-A139 PolarHBondContact O-N 3.46Å; V136-Q140 WeakPolarHBondContact O-CG 3.41Å; V136-Q140 PolarHBondContact O-N 3.02Å; V136-Q140 VanDerWaalsContact O-N 3.15Å
137E95.1Very high93.6Very high116 Ų11662.5 Ų62.554%0.54229%0.286SS..Hα-helixtrans-57.4-50.5173.4-179.4178.2-152.900111.4K133 A139 Q140 D141K133-E137 WeakPolarHBondContact O-CB 3.29Å; K133-E137 PolarHBondContact O-N 3.45Å; E137-A139 VanDerWaalsContact C-N 3.31Å; E137-A139 PolarHBondContact O-N 3.48Å; E137-Q140 PolarHBondContact O-N 2.92Å; E137-D141 PolarHBondContact O-N 3.41Å
138F93.3Very high93.5Very high1 Ų162 Ų620%0.00428%0.282CS..Hα-helixtrans-67.4-25.6178.6-179.2-112.4000114I90 R91 E134 R144 L145 E148I90-F138 HydrophobicContact CG2-CD1 4.07Å; I90-F138 HydrophobicContact CG2-CE1 3.74Å; R91-F138 HydrophobicContact CG-CE1 3.53Å; R91-F138 HydrophobicContact CG-CZ 3.73Å; E134-F138 WeakPolarHBondContact O-CB 3.38Å; E134-F138 PolarHBondContact O-N 3.02Å; F138-R144 HydrophobicContact CD2-CG 4.34Å; F138-R144 HydrophobicContact CE2-CG 4.27Å; F138-L145 HydrophobicContact CE1-CD1 3.92Å; F138-L145 HydrophobicContact CE2-CD1 4.48Å; F138-L145 HydrophobicContact CZ-CD1 3.82Å; F138-E148 HydrophobicContact CE2-CB 4.17Å; F138-E148 HydrophobicContact CE2-CG 4.17Å; F138-E148 HydrophobicContact CZ-CB 4.05Å; F138-E148 HydrophobicContact CZ-CG 4.43Å
139A92.1Very high93.3Very high0 Ų063.6 Ų63.60%029%0.288CS..Hα-helixtrans-78.4-23.2174.700000112.9R102 L135 V136 E137R102-A139 VanDerWaalsContact CZ-O 3.27Å; R102-A139 PolarHBondContact NE-O 3.41Å; R102-A139 PolarHBondContact NH2-O 3.17Å; L135-A139 WeakPolarHBondContact O-CB 3.3Å; L135-A139 PolarHBondContact O-N 3.49Å; V136-A139 PolarHBondContact O-N 3.46Å; E137-A139 VanDerWaalsContact C-N 3.31Å; E137-A139 PolarHBondContact O-N 3.48Å
140Q92.4Very high93Very high105 Ų10567.5 Ų67.549%0.49131%0.306SS..Hα-helixtrans-87.6-27.7177.7-68.1-173.1-72.800113.3I105 V136 E137 D142I105-Q140 HydrophobicContact CD1-CG 3.6Å; V136-Q140 WeakPolarHBondContact O-CG 3.41Å; V136-Q140 PolarHBondContact O-N 3.02Å; V136-Q140 VanDerWaalsContact O-N 3.15Å; E137-Q140 PolarHBondContact O-N 2.92Å; Q140-D142 PolarHBondContact O-N 2.87Å
141D92.9Very high92.6Very high63 Ų6367.3 Ų67.334%0.33730%0.304SS..  trans-81.292.8179.5-176.5-13.9000112.3E137 D143 R144 L145E137-D141 PolarHBondContact O-N 3.41Å; D141-D143 PolarHBondContact O-N 3.27Å; D141-D143 PolarHBondContact OD1-N 3.25Å; D141-R144 HydrophobicContact CB-CB 4.23Å; D141-R144 VanDerWaalsContact OD1-CB 3.26Å; D141-R144 WeakPolarHBondContact OD1-CB 3Å; D141-R144 PolarHBondContact OD1-N 2.83Å; D141-R144 WeakPolarHBondContact OD2-CB 3.38Å; D141-R144 WeakPolarHBondContact OD2-CD 3.14Å; D141-L145 WeakPolarHBondContact O-CB 3.41Å; D141-L145 PolarHBondContact O-N 3.33Å; D141-L145 VanDerWaalsContact O-N 3.1Å
142D90.7Very high92Very high61 Ų6166.1 Ų66.133%0.32630%0.302SS..Hα-helixtrans-62.5-34.9-177.3-99.2-42.7000114.5R102 Q140 R146R102-D142 IonicContact CZ-OD1 3.57Å; R102-D142 VanDerWaalsContact CZ-OD1 3.32Å; R102-D142 IonicContact CZ-OD2 3.19Å; R102-D142 VanDerWaalsContact NH1-CG 3.27Å; R102-D142 IonicContact NH1-OD1 2.68Å; R102-D142 PolarHBondContact NH1-OD1 2.94Å; R102-D142 IonicContact NH1-OD2 2.94Å; R102-D142 PolarHBondContact NH1-OD2 3.18Å; R102-D142 IonicContact NH2-OD1 3.64Å; R102-D142 PolarHBondContact NH2-OD1 2.85Å; R102-D142 IonicContact NH2-OD2 3.54Å; R102-D142 PolarHBondContact NH2-OD2 3.44Å; Q140-D142 PolarHBondContact O-N 2.87Å; D142-R146 WeakPolarHBondContact O-CD 3.11Å; D142-R146 WeakPolarHBondContact O-CG 3.12Å; D142-R146 PolarHBondContact O-N 3.1Å
143D91.2Very high91.4Very high108 Ų10872.8 Ų72.858%0.57833%0.33SS*.Hα-helixtrans-84.5-40.3-172.9-75.1-44.5000112.3D141 L145 R146 E147D141-D143 PolarHBondContact O-N 3.27Å; D141-D143 PolarHBondContact OD1-N 3.25Å; D143-L145 VanDerWaalsContact C-N 3.28Å; D143-L145 PolarHBondContact O-N 3.41Å; D143-R146 PolarHBondContact O-N 2.92Å; D143-R146 IonicContact OD1-CZ 2.85Å; D143-R146 IonicContact OD1-NE 2.7Å; D143-R146 IonicContact OD1-NH1 2.65Å; D143-R146 PolarHBondContact OD1-NH1 2.92Å; D143-E147 PolarHBondContact O-N 3.28Å
144R91.6Very high90.7Very high99 Ų9973 Ų7337%0.37433%0.331SS..Hα-helixtrans-62.5-37.6168.5-176.7-175.1170.1-157.6-0.1111.7F138 D141 E147 E148F138-R144 HydrophobicContact CD2-CG 4.34Å; F138-R144 HydrophobicContact CE2-CG 4.27Å; D141-R144 HydrophobicContact CB-CB 4.23Å; D141-R144 VanDerWaalsContact OD1-CB 3.26Å; D141-R144 WeakPolarHBondContact OD1-CB 3Å; D141-R144 PolarHBondContact OD1-N 2.83Å; D141-R144 WeakPolarHBondContact OD2-CB 3.38Å; D141-R144 WeakPolarHBondContact OD2-CD 3.14Å; R144-E147 PolarHBondContact O-N 3.26Å; R144-E148 WeakPolarHBondContact O-CB 3.44Å; R144-E148 PolarHBondContact O-N 3.48Å
145L91.8Very high90.1Very high1 Ų174.6 Ų74.61%0.00534%0.341CS..Hα-helixtrans-61.6-46.8174.3177.470.4000111.5I90 V98 F138 D141 D143 E147 R149I90-L145 HydrophobicContact CG2-CD1 3.47Å; I90-L145 VanDerWaalsContact CG2-CD1 3.47Å; V98-L145 HydrophobicContact CB-CD2 4.34Å; V98-L145 HydrophobicContact CG1-CD2 3.45Å; V98-L145 VanDerWaalsContact CG1-CD2 3.45Å; V98-L145 HydrophobicContact CG2-CD2 3.93Å; F138-L145 HydrophobicContact CE1-CD1 3.92Å; F138-L145 HydrophobicContact CE2-CD1 4.48Å; F138-L145 HydrophobicContact CZ-CD1 3.82Å; D141-L145 WeakPolarHBondContact O-CB 3.41Å; D141-L145 PolarHBondContact O-N 3.33Å; D141-L145 VanDerWaalsContact O-N 3.1Å; D143-L145 VanDerWaalsContact C-N 3.28Å; D143-L145 PolarHBondContact O-N 3.41Å; L145-E147 PolarHBondContact O-N 3.25Å; L145-R149 HydrophobicContact CD1-CG 4.27Å; L145-R149 WeakPolarHBondContact O-CB 3.27Å; L145-R149 VanDerWaalsContact O-CG 3.23Å; L145-R149 WeakPolarHBondContact O-CG 3.22Å; L145-R149 PolarHBondContact O-N 3.44Å
146R90.1Very high89.1Confident146 Ų14680.1 Ų80.155%0.55137%0.366SS*.Hα-helixtrans-60.1-43.3175-74.8161.6-174.7170.51111.9D142 D143 K150D142-R146 WeakPolarHBondContact O-CD 3.11Å; D142-R146 WeakPolarHBondContact O-CG 3.12Å; D142-R146 PolarHBondContact O-N 3.1Å; D143-R146 PolarHBondContact O-N 2.92Å; D143-R146 IonicContact OD1-CZ 2.85Å; D143-R146 IonicContact OD1-NE 2.7Å; D143-R146 IonicContact OD1-NH1 2.65Å; D143-R146 PolarHBondContact OD1-NH1 2.92Å; R146-K150 WeakPolarHBondContact O-CB 3.39Å; R146-K150 PolarHBondContact O-N 2.94Å
147E91.4Very high87.8Confident137 Ų13784.4 Ų84.464%0.6439%0.388SS*.Hα-helixtrans-65.1-50178.2-179.8159.8-135.200112D143 R144 L145 R149 K150 K151D143-E147 PolarHBondContact O-N 3.28Å; R144-E147 PolarHBondContact O-N 3.26Å; L145-E147 PolarHBondContact O-N 3.25Å; E147-R149 PolarHBondContact O-N 2.97Å; E147-K150 WeakPolarHBondContact O-CB 3.46Å; E147-K150 PolarHBondContact O-N 3.19Å; E147-K151 VanDerWaalsContact O-CB 3.22Å; E147-K151 WeakPolarHBondContact O-CB 3.3Å; E147-K151 PolarHBondContact O-N 2.88Å
148E90.6Very high86.9Confident58 Ų5886.1 Ų86.127%0.27139%0.394SS..Hα-helixtrans-62.1-40.2178-81.7-64.7140.700112F138 R144 K150 K151 A152F138-E148 HydrophobicContact CE2-CB 4.17Å; F138-E148 HydrophobicContact CE2-CG 4.17Å; F138-E148 HydrophobicContact CZ-CB 4.05Å; F138-E148 HydrophobicContact CZ-CG 4.43Å; R144-E148 WeakPolarHBondContact O-CB 3.44Å; R144-E148 PolarHBondContact O-N 3.48Å; E148-K150 PolarHBondContact O-N 2.96Å; E148-K151 PolarHBondContact O-N 3.26Å; E148-K151 WeakPolarHBondContact OE1-CD 2.97Å; E148-K151 IonicContact OE1-NZ 3.97Å; E148-K151 PolarHBondContact OE1-NZ 3.31Å; E148-A152 WeakPolarHBondContact O-CB 3.05Å; E148-A152 PolarHBondContact O-N 2.7Å
149R90.8Very high85.3Confident33 Ų3393.8 Ų93.813%0.12542%0.424CS..Hα-helixtrans-64.8-38.9174.5-70.4167.376.566.74.6111.9I90 G93 S94 E95 L145 E147 K153I90-R149 WeakPolarHBondContact O-CD 3.44Å; I90-R149 PolarHBondContact O-NH1 3.01Å; G93-R149 PolarHBondContact O-NH1 3.12Å; G93-R149 PolarHBondContact O-NH2 3.27Å; S94-R149 VanDerWaalsContact C-NH2 3.29Å; S94-R149 PolarHBondContact O-NH2 2.84Å; E95-R149 IonicContact OE1-NE 3.89Å; E95-R149 IonicContact OE2-CZ 2.67Å; E95-R149 IonicContact OE2-NE 3.32Å; E95-R149 PolarHBondContact OE2-NE 3.45Å; E95-R149 IonicContact OE2-NH2 3.1Å; E95-R149 PolarHBondContact OE2-NH2 3.33Å; L145-R149 HydrophobicContact CD1-CG 4.27Å; L145-R149 WeakPolarHBondContact O-CB 3.27Å; L145-R149 VanDerWaalsContact O-CG 3.23Å; L145-R149 WeakPolarHBondContact O-CG 3.22Å; L145-R149 PolarHBondContact O-N 3.44Å; E147-R149 PolarHBondContact O-N 2.97Å; R149-K153 WeakPolarHBondContact O-CB 3.45Å; R149-K153 PolarHBondContact O-N 2.83Å
150K89.3Confident83.8Confident146 Ų14698.8 Ų98.864%0.63545%0.454SS*.Hα-helixtrans-67-39175.5-177.5178-177.5-177.10112.2R146 E147 E148 K154R146-K150 WeakPolarHBondContact O-CB 3.39Å; R146-K150 PolarHBondContact O-N 2.94Å; E147-K150 WeakPolarHBondContact O-CB 3.46Å; E147-K150 PolarHBondContact O-N 3.19Å; E148-K150 PolarHBondContact O-N 2.96Å; K150-K154 WeakPolarHBondContact O-CG 3.15Å; K150-K154 PolarHBondContact O-N 2.99Å
151K87.3Confident82.2Confident120 Ų12097 Ų9752%0.52246%0.464SS..Hα-helixtrans-70-45.4175.7177.7179.9169.1-170.50111.7E147 E148 K153 K154 N155E147-K151 VanDerWaalsContact O-CB 3.22Å; E147-K151 WeakPolarHBondContact O-CB 3.3Å; E147-K151 PolarHBondContact O-N 2.88Å; E148-K151 PolarHBondContact O-N 3.26Å; E148-K151 WeakPolarHBondContact OE1-CD 2.97Å; E148-K151 IonicContact OE1-NZ 3.97Å; E148-K151 PolarHBondContact OE1-NZ 3.31Å; K151-K153 PolarHBondContact O-N 2.78Å; K151-K154 PolarHBondContact O-N 3.22Å; K151-N155 WeakPolarHBondContact O-CB 3.39Å; K151-N155 PolarHBondContact O-N 3.4Å
152A82.6Confident80.2Confident17 Ų1799.7 Ų99.714%0.1448%0.482CS..Hα-helixtrans-60.3-44.5175.100000111.9E148 N155 K156E148-A152 WeakPolarHBondContact O-CB 3.05Å; E148-A152 PolarHBondContact O-N 2.7Å; A152-N155 PolarHBondContact O-N 3.46Å; A152-K156 WeakPolarHBondContact O-CB 3.37Å; A152-K156 PolarHBondContact O-N 2.9Å
153K83.6Confident77.9Confident139 Ų139101.2 Ų101.260%0.60450%0.498SS*.Hα-helixtrans-58-53.9174.1-172.3174.2-179.3179.30111.6R149 K151 N155 K156 D157R149-K153 WeakPolarHBondContact O-CB 3.45Å; R149-K153 PolarHBondContact O-N 2.83Å; K151-K153 PolarHBondContact O-N 2.78Å; K153-N155 PolarHBondContact O-N 3.43Å; K153-K156 PolarHBondContact O-N 2.86Å; K153-D157 PolarHBondContact O-N 2.94Å; K153-D157 VanDerWaalsContact O-N 3.1Å
154K82.4Confident75.8Confident130 Ų130101.6 Ų101.657%0.56551%0.509SS*.Hα-helixtrans-53.2-37.6174.3-76.7177.6174.5-173.60112.9K150 K151K150-K154 WeakPolarHBondContact O-CG 3.15Å; K150-K154 PolarHBondContact O-N 2.99Å; K151-K154 PolarHBondContact O-N 3.22Å
155N81.3Confident73.6Confident83 Ų83104.6 Ų104.644%0.44453%0.533SS..Hα-helixtrans-74.5-44.7-178.8-164.859.7000112.1K151 A152 K153 D157 K158 Y159K151-N155 WeakPolarHBondContact O-CB 3.39Å; K151-N155 PolarHBondContact O-N 3.4Å; A152-N155 PolarHBondContact O-N 3.46Å; K153-N155 PolarHBondContact O-N 3.43Å; N155-D157 VanDerWaalsContact C-N 3.28Å; N155-D157 PolarHBondContact O-N 2.98Å; N155-K158 WeakPolarHBondContact O-CB 3.22Å; N155-K158 PolarHBondContact O-N 2.99Å; N155-K158 VanDerWaalsContact O-N 3.17Å; N155-Y159 WeakPolarHBondContact O-CD2 3.42Å
156K76.3Confident71.5Confident118 Ų118109.5 Ų109.551%0.51357%0.567SS.*Hα-helixtrans-55.8-45.4176-171.4-158.371.2179.60111.1A152 K153 K158 Y159 V160A152-K156 WeakPolarHBondContact O-CB 3.37Å; A152-K156 PolarHBondContact O-N 2.9Å; K153-K156 PolarHBondContact O-N 2.86Å; K156-K158 PolarHBondContact O-N 3.45Å; K156-Y159 PolarHBondContact O-N 2.75Å; K156-V160 HydrophobicContact CG-CG2 4.22Å; K156-V160 WeakPolarHBondContact O-CG2 3.42Å; K156-V160 PolarHBondContact O-N 3.39Å; K156-V160 VanDerWaalsContact O-N 3.15Å
157D68Low69.7Low91 Ų91109.5 Ų109.549%0.48758%0.583SS.*Hα-helixtrans-66.7-20-176.2-58.6-18.6000112.7K153 N155K153-D157 PolarHBondContact O-N 2.94Å; K153-D157 VanDerWaalsContact O-N 3.1Å; N155-D157 VanDerWaalsContact C-N 3.28Å; N155-D157 PolarHBondContact O-N 2.98Å
158K74.5Confident67.8Low153 Ų153106.8 Ų106.867%0.66559%0.592SS**Hα-helixtrans-74.1-42.1171.2-69.5177.9177.5-170.90113.4N155 K156N155-K158 WeakPolarHBondContact O-CB 3.22Å; N155-K158 PolarHBondContact O-N 2.99Å; N155-K158 VanDerWaalsContact O-N 3.17Å; K156-K158 PolarHBondContact O-N 3.45Å
159Y61.1Low65.4Low162 Ų162106.9 Ų106.964%0.63561%0.609SS**Hα-helixtrans-88-19.3-172.5-71.1-77.6000113.8N155 K156 G161 V162N155-Y159 WeakPolarHBondContact O-CD2 3.42Å; K156-Y159 PolarHBondContact O-N 2.75Å; Y159-G161 PolarHBondContact O-N 3.5Å; Y159-V162 PolarHBondContact O-N 3.3Å
160V60.7Low62.7Low104 Ų104115.5 Ų115.563%0.6365%0.647SS**THydrogen-bonded Turntrans-63.3-22174.1167.60000112.7K156K156-V160 HydrophobicContact CG-CG2 4.22Å; K156-V160 WeakPolarHBondContact O-CG2 3.42Å; K156-V160 PolarHBondContact O-N 3.39Å; K156-V160 VanDerWaalsContact O-N 3.15Å
161G57.3Low60.4Low68 Ų68119.7 Ų119.770%0.70166%0.659SS**THydrogen-bonded Turntrans-84.3-4.5177.300000115.9Y159Y159-G161 PolarHBondContact O-N 3.5Å
162V51.8Low58.1Low119 Ų119124.5 Ų124.572%0.72168%0.676SS**  trans-117.662.1-173-165.50000110.7Y159Y159-V162 PolarHBondContact O-N 3.3Å
163S42.8Very low55.7Low94 Ų94128.7 Ų128.766%0.65770%0.704SS**  trans-111135.6165.9-69.90000110.3D165S163-D165 PolarHBondContact O-N 3.17Å
164S46.3Very low53.6Low116 Ų116129.1 Ų129.181%0.81171%0.708SS**SBendtrans-79.473-168.6177.10000113.1
165D46.6Very low51.2Low161 Ų161133.7 Ų133.786%0.86172%0.722SS**  trans-136.78173-144.6-120.1000113.7S163S163-D165 PolarHBondContact O-N 3.17Å
166S47.5Very low49Very low105 Ų105140.1 Ų140.173%0.73474%0.741SS**  trans-110.228.8-174.251.90000114.6G168S166-G168 VanDerWaalsContact C-N 3.27Å; S166-G168 PolarHBondContact O-N 3.3Å
167V50.6Low46.9Very low145 Ų145141 Ų14188%0.87975%0.751SS**  trans-73.481.7167.9177.50000109.3
168G51.7Low45.8Very low80 Ų80141.9 Ų141.983%0.82576%0.762SS**SBendtrans-179.926-176.700000116.3S166S166-G168 VanDerWaalsContact C-N 3.27Å; S166-G168 PolarHBondContact O-N 3.3Å
169G41.7Very low44.1Very low61 Ų61142.8 Ų142.863%0.62977%0.769SS**  trans-142.38.3-164.700000118.5R171G169-R171 PolarHBondContact O-N 2.83Å
170F34.3Very low43.5Very low213 Ų213140.4 Ų140.493%0.93477%0.773SS**  trans-71.185.5-178.4-77.4-77000112.8
171R39.4Very low42.6Very low235 Ų235142.1 Ų142.189%0.88777%0.772SS**  trans-88.1116.3159.4-75.4-66.7-164.6-122.91.7109.1G169 S173G169-R171 PolarHBondContact O-N 2.83Å; R171-S173 PolarHBondContact O-N 2.72Å
172Y39.7Very low42.2Very low221 Ų221142.5 Ų142.587%0.86776%0.764SS**  trans-52132.3167.8-116.9-104.2000110.6E174Y172-E174 HydrophobicContact CD1-CB 4.47Å
173S32.9Very low41.9Very low104 Ų104145.7 Ų145.773%0.72777%0.768SS**  trans-147.963.4166.5-176.90000110.7R171 R175R171-S173 PolarHBondContact O-N 2.72Å; S173-R175 PolarHBondContact O-N 3.24Å
174E38Very low42Very low149 Ų149150.1 Ų150.170%0.69677%0.771SS**  trans-62.298.9170.8-174.357.3-129.300110.3Y172Y172-E174 HydrophobicContact CD1-CB 4.47Å
175R33.7Very low41.9Very low226 Ų226147.5 Ų147.585%0.85375%0.748SS**  trans-144102.5165.7-78.5-162.6-178.2-107.4-1110.5S173 D177S173-R175 PolarHBondContact O-N 3.24Å; R175-D177 PolarHBondContact O-N 3.29Å
176Y35.3Very low41.8Very low217 Ų217144.5 Ų144.585%0.85173%0.729SS**  trans-60.5114.6168.6-151.8-95.3000110.6
177D31.3Very low41.7Very low136 Ų136145.1 Ų145.173%0.72772%0.72SS**  trans-142.4109.2173.2-163.12.9000109.6R175 E179R175-D177 PolarHBondContact O-N 3.29Å; D177-E179 PolarHBondContact O-N 3.1Å; D177-E179 VanDerWaalsContact O-N 3.14Å
178P43.9Very low41.8Very low111 Ų111146.8 Ų146.872%0.72171%0.71SS**  trans-86.976.7-172.834.5-34.9000112.2
179E39.4Very low42Very low172 Ų172146.3 Ų146.380%0.80469%0.689SS**  trans-73.9154.5164.2-96.5-155.2123.700112.1D177D177-E179 PolarHBondContact O-N 3.1Å; D177-E179 VanDerWaalsContact O-N 3.14Å
180P49.3Very low42.7Very low111 Ų111151.3 Ų151.372%0.72169%0.693SS**  trans-73.1154.4-16228.4-36.3000114.4S182P180-S182 PolarHBondContact O-N 2.74Å
181K41.3Very low43.6Very low141 Ų141146.1 Ų146.161%0.61368%0.675SS**  trans-42.4125.7176.2-108.2-163.6179.7-157.90111.4K183 D185K181-K183 PolarHBondContact O-N 2.81Å; K181-D185 WeakPolarHBondContact CD-OD2 3.26Å; K181-D185 WeakPolarHBondContact CE-OD2 3.34Å; K181-D185 IonicContact NZ-OD2 3.87Å; K181-D185 PolarHBondContact NZ-OD2 2.69Å
182S49.7Very low44.2Very low76 Ų76139.3 Ų139.353%0.53165%0.652SS.*  trans-67.8130.4179.457.20000110.9P180 W184 D185P180-S182 PolarHBondContact O-N 2.74Å; S182-W184 PolarHBondContact O-N 2.74Å; S182-D185 VanDerWaalsContact O-CB 3.31Å; S182-D185 WeakPolarHBondContact O-CB 3.24Å; S182-D185 PolarHBondContact O-N 2.92Å
183K45.5Very low44.8Very low186 Ų186133.2 Ų133.281%0.80964%0.642SS**THydrogen-bonded Turntrans-52.1-14.6-176.3-160.1177.1-178.9-1760116.6K181 D185K181-K183 PolarHBondContact O-N 2.81Å; K183-D185 VanDerWaalsContact C-N 3.33Å
184W44Very low45.8Very low187 Ų187131.7 Ų131.771%0.70864%0.636SS**Hα-helixtrans-70.4-25.8172.2-67.198.1000113.7S182 E187 W188S182-W184 PolarHBondContact O-N 2.74Å; W184-E187 PolarHBondContact O-N 3.27Å; W184-W188 WeakPolarHBondContact O-CB 3.32Å; W184-W188 PolarHBondContact O-N 3.09Å
185D44.1Very low46.1Very low60 Ų60131.4 Ų131.432%0.32163%0.632SS.*Hα-helixtrans-73.1-49.1-178.9-156.261.8000110.3K181 S182 K183 E187 W188 D189K181-D185 WeakPolarHBondContact CD-OD2 3.26Å; K181-D185 WeakPolarHBondContact CE-OD2 3.34Å; K181-D185 IonicContact NZ-OD2 3.87Å; K181-D185 PolarHBondContact NZ-OD2 2.69Å; S182-D185 VanDerWaalsContact O-CB 3.31Å; S182-D185 WeakPolarHBondContact O-CB 3.24Å; S182-D185 PolarHBondContact O-N 2.92Å; K183-D185 VanDerWaalsContact C-N 3.33Å; D185-E187 PolarHBondContact O-N 3.13Å; D185-W188 PolarHBondContact O-N 3.25Å; D185-D189 PolarHBondContact O-N 3.02Å; D185-D189 VanDerWaalsContact O-N 3.1Å
186E44.6Very low47.1Very low99 Ų99127.2 Ų127.246%0.46363%0.634SS.*Hα-helixtrans-55.1-31.2169.9-110.673-145.800114.2K190E186-K190 WeakPolarHBondContact O-CB 3.47Å; E186-K190 WeakPolarHBondContact O-CD 3.3Å; E186-K190 VanDerWaalsContact O-CG 3.26Å; E186-K190 WeakPolarHBondContact O-CG 3.07Å; E186-K190 PolarHBondContact O-N 3.13Å
187E45.8Very low47.6Very low117 Ų117122.7 Ų122.755%0.54762%0.619SS.*Hα-helixtrans-80.9-37.8179.6-170.5167.5-133.300111.3W184 D185 N191W184-E187 PolarHBondContact O-N 3.27Å; D185-E187 PolarHBondContact O-N 3.13Å; E187-N191 PolarHBondContact O-N 3.4Å; E187-N191 VanDerWaalsContact O-N 3.15Å
188W53.2Low48.7Very low180 Ų180117.5 Ų117.568%0.68259%0.594SS**Hα-helixtrans-63.8-45.5175.8-174.6-113000112.3W184 D185 N191 K192W184-W188 WeakPolarHBondContact O-CB 3.32Å; W184-W188 PolarHBondContact O-N 3.09Å; D185-W188 PolarHBondContact O-N 3.25Å; W188-N191 PolarHBondContact O-N 3.21Å; W188-K192 PolarHBondContact O-N 3.33Å
189D54.1Low49.4Very low71 Ų71118.2 Ų118.238%0.3859%0.591SS.*Hα-helixtrans-69.4-40.1178.1-79.3-23.6000112.5D185 N191 K192D185-D189 PolarHBondContact O-N 3.02Å; D185-D189 VanDerWaalsContact O-N 3.1Å; D189-N191 PolarHBondContact O-N 2.97Å; D189-K192 WeakPolarHBondContact O-CB 3.36Å; D189-K192 PolarHBondContact O-N 3.09Å; D189-K192 VanDerWaalsContact O-N 3.14Å; D189-K192 WeakPolarHBondContact OD1-CE 3.48Å; D189-K192 IonicContact OD1-NZ 2.63Å; D189-K192 PolarHBondContact OD1-NZ 3.05Å
190K57.1Low50.3Low165 Ų165116 Ų11672%0.71758%0.579SS**Hα-helixtrans-60.8-31.6175.1-80.7178.1178.3178.30113.6E186E186-K190 WeakPolarHBondContact O-CB 3.47Å; E186-K190 WeakPolarHBondContact O-CD 3.3Å; E186-K190 VanDerWaalsContact O-CG 3.26Å; E186-K190 WeakPolarHBondContact O-CG 3.07Å; E186-K190 PolarHBondContact O-N 3.13Å
191N53.1Low50.9Low104 Ų104115.7 Ų115.756%0.55657%0.571SS**THydrogen-bonded Turntrans-83.8-6.9179.8-146.4113.7000113.5E187 W188 D189E187-N191 PolarHBondContact O-N 3.4Å; E187-N191 VanDerWaalsContact O-N 3.15Å; W188-N191 PolarHBondContact O-N 3.21Å; D189-N191 PolarHBondContact O-N 2.97Å
192K52.6Low52Low93 Ų93110.4 Ų110.440%0.40456%0.556SS.*THydrogen-bonded Turntrans-72.9-48.8170.8-67.4170.6-173.1170.10111.1W188 D189 A194 F195 S198W188-K192 PolarHBondContact O-N 3.33Å; D189-K192 WeakPolarHBondContact O-CB 3.36Å; D189-K192 PolarHBondContact O-N 3.09Å; D189-K192 VanDerWaalsContact O-N 3.14Å; D189-K192 WeakPolarHBondContact OD1-CE 3.48Å; D189-K192 IonicContact OD1-NZ 2.63Å; D189-K192 PolarHBondContact OD1-NZ 3.05Å; K192-A194 PolarHBondContact O-N 2.87Å; K192-F195 PolarHBondContact O-N 3.2Å; K192-S198 VanDerWaalsContact O-CB 3.32Å; K192-S198 WeakPolarHBondContact O-CB 3.31Å; K192-S198 PolarHBondContact O-OG 3.38Å
193S51.1Low52.6Low92 Ų92113 Ų11364%0.64356%0.56SS**THydrogen-bonded Turntrans-62.5-2.6-179.2-52.40000115.3
194A55.6Low53.1Low73 Ų73108.1 Ų108.160%0.60354%0.543SS*.THydrogen-bonded Turntrans-84.6-7.9176.900000114.2K192K192-A194 PolarHBondContact O-N 2.87Å
195F43.3Very low54Low143 Ų143103 Ų10363%0.62754%0.535SS*.SBendtrans-101.6130.2177.8-76.9-85.7000112K192 F197 S198K192-F195 PolarHBondContact O-N 3.2Å; F195-F197 PolarHBondContact O-N 2.84Å; F195-S198 WeakPolarHBondContact O-CB 3.35Å; F195-S198 PolarHBondContact O-N 2.9Å
196P54Low55Low137 Ų137105.8 Ų105.889%0.8955%0.55SS**THydrogen-bonded Turntrans-72.723.5-17532.1-37.9000115
197F46.5Very low56.3Low123 Ų123108 Ų10854%0.53956%0.558SS.*THydrogen-bonded Turntrans-140.95.3173.4-155.3-99.7000112.3F195 K200 L201F195-F197 PolarHBondContact O-N 2.84Å; F197-K200 HydrophobicContact CE1-CB 4.46Å; F197-K200 HydrophobicContact CE2-CD 4Å; F197-K200 HydrophobicContact CZ-CD 4.1Å; F197-L201 HydrophobicContact CD1-CD1 4.04Å; F197-L201 HydrophobicContact CD1-CG 4.09Å; F197-L201 HydrophobicContact CE1-CG 4.28Å; F197-L201 PolarHBondContact O-N 3.42Å
198S54Low57Low27 Ų27106.7 Ų106.719%0.18955%0.554CS.*Hα-helixtrans-59.3-51.4-173.11780000112.5K192 F195 K200 L201 G202K192-S198 VanDerWaalsContact O-CB 3.32Å; K192-S198 WeakPolarHBondContact O-CB 3.31Å; K192-S198 PolarHBondContact O-OG 3.38Å; F195-S198 WeakPolarHBondContact O-CB 3.35Å; F195-S198 PolarHBondContact O-N 2.9Å; S198-K200 VanDerWaalsContact C-N 3.26Å; S198-K200 PolarHBondContact O-N 2.67Å; S198-L201 CarbonylContact O-C 3.59Å; S198-L201 WeakPolarHBondContact O-CA 3.39Å; S198-L201 WeakPolarHBondContact O-CB 3.48Å; S198-L201 PolarHBondContact O-N 3.01Å; S198-G202 PolarHBondContact O-N 3.46Å
199D58.8Low57.5Low126 Ų12699.9 Ų99.967%0.67454%0.54SS*.Hα-helixtrans-63.1-36.5-172.2-45.9-53.6000111.7L201 G202 E203D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 2.93Å; D199-G202 PolarHBondContact O-N 2.84Å; D199-E203 PolarHBondContact O-N 3.43Å
200K59.6Low58Low124 Ų124100.2 Ų100.254%0.53955%0.548SS..Hα-helixtrans-71.1-23.1177.9-147.1170.9-167.4-600113.1F197 S198F197-K200 HydrophobicContact CE1-CB 4.46Å; F197-K200 HydrophobicContact CE2-CD 4Å; F197-K200 HydrophobicContact CZ-CD 4.1Å; S198-K200 VanDerWaalsContact C-N 3.26Å; S198-K200 PolarHBondContact O-N 2.67Å
201L60.4Low58.4Low105 Ų10596.3 Ų96.355%0.5554%0.538SS..Hα-helixtrans-86.1-33.1170.3-95.7168.4000112.4F197 S198 D199 L204 S205F197-L201 HydrophobicContact CD1-CD1 4.04Å; F197-L201 HydrophobicContact CD1-CG 4.09Å; F197-L201 HydrophobicContact CE1-CG 4.28Å; F197-L201 PolarHBondContact O-N 3.42Å; S198-L201 CarbonylContact O-C 3.59Å; S198-L201 WeakPolarHBondContact O-CA 3.39Å; S198-L201 WeakPolarHBondContact O-CB 3.48Å; S198-L201 PolarHBondContact O-N 3.01Å; D199-L201 VanDerWaalsContact C-N 3.29Å; D199-L201 PolarHBondContact O-N 2.93Å; L201-L204 PolarHBondContact O-N 3.23Å; L201-S205 VanDerWaalsContact O-CB 3.29Å; L201-S205 WeakPolarHBondContact O-CB 3.45Å; L201-S205 PolarHBondContact O-N 3.47Å
202G65.6Low59.1Low30 Ų3095.7 Ų95.731%0.30953%0.533SS..Hα-helixtrans-60.9-53.5171.500000111.6S198 D199 L204 S205 D206S198-G202 PolarHBondContact O-N 3.46Å; D199-G202 PolarHBondContact O-N 2.84Å; G202-L204 VanDerWaalsContact C-N 3.26Å; G202-L204 PolarHBondContact O-N 2.94Å; G202-S205 WeakPolarHBondContact O-CA 3.14Å; G202-S205 WeakPolarHBondContact O-CB 3.47Å; G202-S205 PolarHBondContact O-N 2.82Å; G202-D206 PolarHBondContact O-N 3.16Å
203E62.6Low59.8Low132 Ų13295.8 Ų95.862%0.61754%0.538SS*.Hα-helixtrans-57-38.6177.1-170.2-171.7-170.300112.3D199 K207D199-E203 PolarHBondContact O-N 3.43Å; E203-K207 WeakPolarHBondContact O-CB 3.16Å; E203-K207 PolarHBondContact O-N 3.31Å; E203-K207 VanDerWaalsContact O-N 3.15Å
204L54.9Low60.5Low83 Ų8395.2 Ų95.244%0.43553%0.528SS..Hα-helixtrans-67.2-43.9173.2-96.8163.8000112.1L201 G202 I208L201-L204 PolarHBondContact O-N 3.23Å; G202-L204 VanDerWaalsContact C-N 3.26Å; G202-L204 PolarHBondContact O-N 2.94Å; L204-I208 HydrophobicContact CD2-CD1 4.06Å; L204-I208 VanDerWaalsContact O-CB 3.26Å; L204-I208 WeakPolarHBondContact O-CB 3.33Å; L204-I208 WeakPolarHBondContact O-CD1 3.14Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 3.35Å
205S63.4Low61.3Low78 Ų7895 Ų9555%0.54552%0.52SS..Hα-helixtrans-61.4-46.9178.2-1780000111.9L201 G202 I208 G209L201-S205 VanDerWaalsContact O-CB 3.29Å; L201-S205 WeakPolarHBondContact O-CB 3.45Å; L201-S205 PolarHBondContact O-N 3.47Å; G202-S205 WeakPolarHBondContact O-CA 3.14Å; G202-S205 WeakPolarHBondContact O-CB 3.47Å; G202-S205 PolarHBondContact O-N 2.82Å; S205-I208 PolarHBondContact O-N 2.96Å; S205-G209 PolarHBondContact O-N 3.08Å
206D65.1Low62.5Low120 Ų12092 Ų9264%0.64251%0.509SS*.Hα-helixtrans-68.6-39.1-178.4-65.4-28.5000111.4G202 S210G202-D206 PolarHBondContact O-N 3.16Å; D206-S210 VanDerWaalsContact O-CB 3.25Å; D206-S210 WeakPolarHBondContact O-CB 3.31Å; D206-S210 PolarHBondContact O-N 3.22Å
207K70.6Confident63.2Low144 Ų14487.2 Ų87.263%0.62648%0.479SS*.Hα-helixtrans-70-38.2177.7-166.4170-171169.70112.7E203 T211E203-K207 WeakPolarHBondContact O-CB 3.16Å; E203-K207 PolarHBondContact O-N 3.31Å; E203-K207 VanDerWaalsContact O-N 3.15Å; K207-T211 WeakPolarHBondContact O-CB 3.35Å; K207-T211 PolarHBondContact O-N 3.05Å; K207-T211 PolarHBondContact O-OG1 3.2Å
208I61.7Low64.1Low90 Ų9087.1 Ų87.146%0.46248%0.478SS..Hα-helixtrans-69.9-46.1173.3-70.6167.3000110L204 S205 T211 I212L204-I208 HydrophobicContact CD2-CD1 4.06Å; L204-I208 VanDerWaalsContact O-CB 3.26Å; L204-I208 WeakPolarHBondContact O-CB 3.33Å; L204-I208 WeakPolarHBondContact O-CD1 3.14Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 3.35Å; S205-I208 PolarHBondContact O-N 2.96Å; I208-T211 PolarHBondContact O-N 2.88Å; I208-I212 HydrophobicContact CG2-CD1 3.58Å; I208-I212 HydrophobicContact CG2-CG1 4.35Å; I208-I212 WeakPolarHBondContact O-CB 3.28Å; I208-I212 VanDerWaalsContact O-CG1 3.31Å; I208-I212 WeakPolarHBondContact O-CG1 3.34Å; I208-I212 PolarHBondContact O-N 2.57Å
209G64.4Low64.4Low38 Ų3892.3 Ų92.339%0.39250%0.498SS..Hα-helixtrans-59.8-47.2178.700000112.9S205 T211 I212 D213S205-G209 PolarHBondContact O-N 3.08Å; G209-T211 PolarHBondContact O-N 2.87Å; G209-I212 PolarHBondContact O-N 3.49Å; G209-D213 PolarHBondContact O-N 3.4Å
210S63.7Low64.6Low77 Ų7794 Ų9454%0.53850%0.495SS..Hα-helixtrans-57-48.6173.1171.50000111.6D206 I212 D213 D214D206-S210 VanDerWaalsContact O-CB 3.25Å; D206-S210 WeakPolarHBondContact O-CB 3.31Å; D206-S210 PolarHBondContact O-N 3.22Å; S210-I212 VanDerWaalsContact C-N 3.31Å; S210-I212 PolarHBondContact O-N 2.84Å; S210-D213 PolarHBondContact O-N 3.2Å; S210-D214 WeakPolarHBondContact O-CB 3.44Å; S210-D214 PolarHBondContact O-N 2.7Å
211T66.2Low64.5Low83 Ų8395.6 Ų95.651%0.50950%0.497SS..Hα-helixtrans-64.3-35.7-179.3-53.60000112.3K207 I208 G209 T215K207-T211 WeakPolarHBondContact O-CB 3.35Å; K207-T211 PolarHBondContact O-N 3.05Å; K207-T211 PolarHBondContact O-OG1 3.2Å; I208-T211 PolarHBondContact O-N 2.88Å; G209-T211 PolarHBondContact O-N 2.87Å; T211-T215 WeakPolarHBondContact O-CB 3.39Å; T211-T215 PolarHBondContact O-N 3.15Å; T211-T215 PolarHBondContact O-OG1 3.44Å
212I66.4Low63.8Low91 Ų9198.1 Ų98.147%0.46750%0.504SS..Hα-helixtrans-71.6-46.4177.8-71.5172.5000111.3I208 G209 S210 D214 T215 I216I208-I212 HydrophobicContact CG2-CD1 3.58Å; I208-I212 HydrophobicContact CG2-CG1 4.35Å; I208-I212 WeakPolarHBondContact O-CB 3.28Å; I208-I212 VanDerWaalsContact O-CG1 3.31Å; I208-I212 WeakPolarHBondContact O-CG1 3.34Å; I208-I212 PolarHBondContact O-N 2.57Å; G209-I212 PolarHBondContact O-N 3.49Å; S210-I212 VanDerWaalsContact C-N 3.31Å; S210-I212 PolarHBondContact O-N 2.84Å; I212-D214 VanDerWaalsContact C-N 3.35Å; I212-D214 PolarHBondContact O-N 2.76Å; I212-T215 WeakPolarHBondContact O-CB 3.28Å; I212-T215 PolarHBondContact O-N 3.37Å; I212-T215 VanDerWaalsContact O-N 3.14Å; I212-I216 HydrophobicContact CG2-CD1 3.66Å; I212-I216 HydrophobicContact CG2-CG1 4.35Å; I212-I216 WeakPolarHBondContact O-CG1 3.37Å; I212-I216 PolarHBondContact O-N 3.05Å
213D67.6Low62.9Low95 Ų95103.2 Ų103.251%0.50852%0.524SS..Hα-helixtrans-64.7-39.8178.5-170.4-94.1000111.9G209 S210 T215 I216 S217G209-D213 PolarHBondContact O-N 3.4Å; S210-D213 PolarHBondContact O-N 3.2Å; D213-T215 PolarHBondContact O-N 3.27Å; D213-I216 PolarHBondContact O-N 2.72Å; D213-S217 WeakPolarHBondContact O-CB 3.34Å; D213-S217 PolarHBondContact O-N 3.41Å; D213-S217 PolarHBondContact O-OG 2.72Å; D213-S217 VanDerWaalsContact O-OG 3.13Å; D213-S217 PolarHBondContact OD1-OG 3.17Å
214D66.6Low62.3Low80 Ų80107.6 Ų107.643%0.42854%0.535SS..Hα-helixtrans-59.8-35.9174.4-143.7-23.5000111.3S210 I212 K218S210-D214 WeakPolarHBondContact O-CB 3.44Å; S210-D214 PolarHBondContact O-N 2.7Å; I212-D214 VanDerWaalsContact C-N 3.35Å; I212-D214 PolarHBondContact O-N 2.76Å; D214-K218 WeakPolarHBondContact O-CB 3.37Å; D214-K218 WeakPolarHBondContact O-CD 3.26Å; D214-K218 WeakPolarHBondContact O-CG 3.49Å; D214-K218 PolarHBondContact O-N 2.7Å; D214-K218 WeakPolarHBondContact OD1-CE 3.36Å; D214-K218 IonicContact OD1-NZ 2.83Å; D214-K218 PolarHBondContact OD1-NZ 3.15Å; D214-K218 IonicContact OD2-NZ 2.68Å; D214-K218 PolarHBondContact OD2-NZ 3.29Å
215T71.9Confident61.9Low70 Ų70110 Ų11043%0.42954%0.544SS..Hα-helixtrans-73.8-44.1176.6-57.30000112.2T211 I212 D213 S217 K218 F219T211-T215 WeakPolarHBondContact O-CB 3.39Å; T211-T215 PolarHBondContact O-N 3.15Å; T211-T215 PolarHBondContact O-OG1 3.44Å; I212-T215 WeakPolarHBondContact O-CB 3.28Å; I212-T215 PolarHBondContact O-N 3.37Å; I212-T215 VanDerWaalsContact O-N 3.14Å; D213-T215 PolarHBondContact O-N 3.27Å; T215-S217 VanDerWaalsContact C-N 3.32Å; T215-S217 PolarHBondContact O-N 3Å; T215-K218 PolarHBondContact O-N 3.27Å; T215-F219 HydrophobicContact CG2-CD2 4.38Å; T215-F219 PolarHBondContact O-N 3.45Å
216I68.5Low60.7Low79 Ų79113.1 Ų113.141%0.40556%0.555SS.*Hα-helixtrans-62.7-41175.3-69.1168.7000110.7I212 D213 F219 R220I212-I216 HydrophobicContact CG2-CD1 3.66Å; I212-I216 HydrophobicContact CG2-CG1 4.35Å; I212-I216 WeakPolarHBondContact O-CG1 3.37Å; I212-I216 PolarHBondContact O-N 3.05Å; D213-I216 PolarHBondContact O-N 2.72Å; I216-F219 PolarHBondContact O-N 3.28Å; I216-R220 WeakPolarHBondContact O-CB 3.49Å; I216-R220 PolarHBondContact O-N 3.37Å
217S68.1Low59.1Low37 Ų37112.8 Ų112.826%0.25956%0.562SS.*Hα-helixtrans-68.5-32.2176.8-71.60000112.3D213 T215 R221D213-S217 WeakPolarHBondContact O-CB 3.34Å; D213-S217 PolarHBondContact O-N 3.41Å; D213-S217 PolarHBondContact O-OG 2.72Å; D213-S217 VanDerWaalsContact O-OG 3.13Å; D213-S217 PolarHBondContact OD1-OG 3.17Å; T215-S217 VanDerWaalsContact C-N 3.32Å; T215-S217 PolarHBondContact O-N 3Å; S217-R221 WeakPolarHBondContact O-CG 3.32Å; S217-R221 PolarHBondContact O-N 3.47Å
218K65.7Low57.7Low120 Ų120111.5 Ų111.552%0.52257%0.568SS.*Hα-helixtrans-69.4-42.8170.9-75.6159.2-164.1153.40112.3D214 T215 R221 K222D214-K218 WeakPolarHBondContact O-CB 3.37Å; D214-K218 WeakPolarHBondContact O-CD 3.26Å; D214-K218 WeakPolarHBondContact O-CG 3.49Å; D214-K218 PolarHBondContact O-N 2.7Å; D214-K218 WeakPolarHBondContact OD1-CE 3.36Å; D214-K218 IonicContact OD1-NZ 2.83Å; D214-K218 PolarHBondContact OD1-NZ 3.15Å; D214-K218 IonicContact OD2-NZ 2.68Å; D214-K218 PolarHBondContact OD2-NZ 3.29Å; T215-K218 PolarHBondContact O-N 3.27Å; K218-R221 PolarHBondContact O-N 3.21Å; K218-K222 WeakPolarHBondContact O-CB 3.29Å; K218-K222 PolarHBondContact O-N 2.65Å
219F59.7Low56.4Low137 Ų137114.8 Ų114.860%0.60158%0.582SS**Hα-helixtrans-60.7-51.6172.5-97.6-87.4000112T215 I216 R221 K222 D223T215-F219 HydrophobicContact CG2-CD2 4.38Å; T215-F219 PolarHBondContact O-N 3.45Å; I216-F219 PolarHBondContact O-N 3.28Å; F219-R221 PolarHBondContact O-N 3.41Å; F219-K222 WeakPolarHBondContact O-CA 3.31Å; F219-K222 WeakPolarHBondContact O-CB 3.43Å; F219-K222 PolarHBondContact O-N 2.69Å; F219-D223 PolarHBondContact O-N 3.35Å
220R63.4Low54.9Low160 Ų160122.7 Ų122.760%0.60460%0.6SS**Hα-helixtrans-58.4-23.2179.2-167.3-174.5-66.1122.2-4.2113.8I216I216-R220 WeakPolarHBondContact O-CB 3.49Å; I216-R220 PolarHBondContact O-N 3.37Å
221R57Low53.2Low159 Ų159124.5 Ų124.560%0.661%0.611SS**Hα-helixtrans-84.7-40.4170.7-73.6-177.761.1173.7-1.6112.8S217 K218 F219 D223 R224 E225S217-R221 WeakPolarHBondContact O-CG 3.32Å; S217-R221 PolarHBondContact O-N 3.47Å; K218-R221 PolarHBondContact O-N 3.21Å; F219-R221 PolarHBondContact O-N 3.41Å; R221-D223 VanDerWaalsContact C-N 3.32Å; R221-D223 PolarHBondContact O-N 3.32Å; R221-R224 PolarHBondContact O-N 2.82Å; R221-E225 IonicContact CZ-OE1 2.74Å; R221-E225 IonicContact NE-OE1 3.32Å; R221-E225 IonicContact NH2-OE1 3.44Å; R221-E225 PolarHBondContact NH2-OE1 3.4Å; R221-E225 VanDerWaalsContact NH2-OE1 3.1Å; R221-E225 PolarHBondContact O-N 3.47Å
222K47Very low51.5Low157 Ų157125.9 Ų125.968%0.68362%0.624SS**Hα-helixtrans-56.6-44.5177.5-16766.7175.4172.10111.9K218 F219 R224K218-K222 WeakPolarHBondContact O-CB 3.29Å; K218-K222 PolarHBondContact O-N 2.65Å; F219-K222 WeakPolarHBondContact O-CA 3.31Å; F219-K222 WeakPolarHBondContact O-CB 3.43Å; F219-K222 PolarHBondContact O-N 2.69Å; K222-R224 PolarHBondContact O-N 3.48Å; K222-R224 VanDerWaalsContact O-N 3.08Å
223D45.9Very low49.7Very low138 Ų138128.3 Ų128.374%0.73864%0.638SS**THydrogen-bonded Turntrans-66-1.7174.5-74.7-75.5000114.7F219 R221F219-D223 PolarHBondContact O-N 3.35Å; R221-D223 VanDerWaalsContact C-N 3.32Å; R221-D223 PolarHBondContact O-N 3.32Å
224R50.3Low47.9Very low224 Ų224128.2 Ų128.285%0.84565%0.645SS**THydrogen-bonded Turntrans-126.3-3.1-176.3-166.2160-177.8147.34115R221 K222R221-R224 PolarHBondContact O-N 2.82Å; K222-R224 PolarHBondContact O-N 3.48Å; K222-R224 VanDerWaalsContact O-N 3.08Å
225E46.1Very low46.3Very low132 Ų132130.8 Ų130.862%0.61766%0.658SS**SBendtrans-102.4-2.3179-75.5168.117400112.9R221 S227R221-E225 IonicContact CZ-OE1 2.74Å; R221-E225 IonicContact NE-OE1 3.32Å; R221-E225 IonicContact NH2-OE1 3.44Å; R221-E225 PolarHBondContact NH2-OE1 3.4Å; R221-E225 VanDerWaalsContact NH2-OE1 3.1Å; R221-E225 PolarHBondContact O-N 3.47Å; E225-S227 PolarHBondContact O-N 2.93Å
226D39.5Very low44.5Very low145 Ų145134.4 Ų134.478%0.77567%0.67SS**  trans-100.461.8178.8-160.247.5000113.7
227S30.1Very low42.9Very low113 Ų113136 Ų13679%0.7968%0.676SS**  trans-161.497.6167-79.60000110.8E225E225-S227 PolarHBondContact O-N 2.93Å
228P42.3Very low41.2Very low117 Ų117140.9 Ų140.976%0.7669%0.693SS**  trans-88.5162.1-17934.6-34.8000113.9
229E35Very low39.6Very low159 Ų159144.2 Ų144.274%0.74371%0.707SS**  trans70.4142.8177.4-66.1-164-146.800115.9
230R32.4Very low38.4Very low204 Ų204142.2 Ų142.277%0.7772%0.716SS**  cis-159150.519.9-140.2172-150.7-146.31.2113.5
231C26.9Very low37Very low115 Ų115146.5 Ų146.578%0.77773%0.732SS**  trans63.8123.3162.1-65.20000118.4
232S30.9Very low35.8Very low111 Ų111150.9 Ų150.978%0.77675%0.748SS**  82.711075.6-158.40000111.2
233D29.5Very low34.8Very low142 Ų142146.9 Ų146.976%0.75975%0.752SS**  cis103.814141.9-176.238.4000111.8
234S28.9Very low34Very low94 Ų94151.9 Ų151.966%0.65776%0.76SS**  trans62.7146.6-177.5-71.50000117.4
235D34.2Very low33.4Very low134 Ų134146.2 Ų146.272%0.71776%0.755SS**  cis-164164.6-13.5-128.7-147.5000110.6
236E34Very low33.3Very low145 Ų145146 Ų14668%0.67877%0.765SS**  trans60.3155.3147.9-73.1-72.681.200121.7
237E33.6Very low32.9Very low113 Ų113146.9 Ų146.953%0.52876%0.762SS.*  cis-155.2157.7-18.6-155.3-176.245.100112.7
238K32.3Very low33Very low139 Ų139145.4 Ų145.460%0.60476%0.764SS**  trans54.3116.4147.1-90.1172.1-153.9137.70123.4
239K31.5Very low32.3Very low191 Ų191147 Ų14783%0.8376%0.762SS**  64.4126.8120.7-68.7179.6-175.1171.40122.4
240A34.8Very low31.8Very low94 Ų94148.9 Ų148.978%0.77777%0.768SS**  trans-60.6156.6168.400000117.4
241R34.5Very low31.8Very low251 Ų251146.6 Ų146.695%0.94776%0.763SS**  -161.6171.9129.8-109.9169.5-162.1-96.9-0.9113.3
242R31Very low31.9Very low250 Ų250147.4 Ų147.494%0.94376%0.76SS**  trans-74.6152.1-178.6-51.2172.5-177-99.46.3111.8
243G27.1Very low32Very low73 Ų73151.2 Ų151.275%0.75377%0.765SS**  trans-179.891.4165.200000118.3
244R29Very low32.1Very low243 Ų243152.9 Ų152.992%0.91777%0.769SS**  trans23.8128.2140.2-160.4178.1-169.3-1325.7120.5
245S38Very low32.4Very low105 Ų105156 Ų15673%0.73477%0.773SS**  trans-70.3167.2169.753.30000115
246P43Very low32.3Very low127 Ų127154.4 Ų154.483%0.82577%0.768SS**  -133.9175.212538.8-29.5000114.6
247K32.4Very low32.1Very low165 Ų165153.2 Ų153.272%0.71777%0.771SS**  trans-65.1157.5-179.5-70.8-177.9169.1-1690114.3E249K247-E249 HydrophobicContact CD-CG 4.22Å; K247-E249 IonicContact NZ-OE1 3.72Å; K247-E249 PolarHBondContact NZ-OE1 2.79Å; K247-E249 IonicContact NZ-OE2 2.64Å
248G31.9Very low32Very low81 Ų81154.7 Ų154.784%0.83579%0.787SS**  trans-133.5139.2139.400000108.9
249E27.3Very low32Very low152 Ų152152.7 Ų152.771%0.7179%0.787SS**  trans-116140.9-178.3-71.1169.7140.600110.5K247K247-E249 HydrophobicContact CD-CG 4.22Å; K247-E249 IonicContact NZ-OE1 3.72Å; K247-E249 PolarHBondContact NZ-OE1 2.79Å; K247-E249 IonicContact NZ-OE2 2.64Å
250F25.1Very low32.4Very low198 Ų198152.9 Ų152.987%0.86879%0.788SS**  trans-144.2151.8152.2-153.5-97.3000109.2
251K31.2Very low32.1Very low155 Ų155155.3 Ų155.367%0.67478%0.783SS**  trans-155.5137.9-159.6-164.4-175.380.879.90112
252D30.7Very low32.2Very low133 Ų133151.4 Ų151.471%0.71178%0.779SS**  trans41.1121163-61-45.2000119.8
253E32.9Very low32.1Very low190 Ų190145.8 Ų145.889%0.88876%0.763SS**  trans-142.8163.5138.756.6-163.3146.700109.9
254E30.9Very low32.3Very low177 Ų177149.2 Ų149.283%0.82776%0.763SS**  trans-128.5177.8-141.7-156.5-179.1157.200114
255E35.5Very low32.5Very low159 Ų159143.2 Ų143.274%0.74375%0.753SS**  trans73.4153.6161.7-63.9-151.5130.900118.5
256T30.9Very low32.2Very low102 Ų102146.8 Ų146.863%0.62676%0.758SS**  cis-148.7141-5.48.10000113.2
257V30.5Very low31.7Very low120 Ų120144.2 Ų144.273%0.72775%0.748SS**  trans48.3114.1141.7177.20000120.8
258T31.3Very low31.8Very low143 Ų143142.5 Ų142.588%0.87775%0.752SS**  trans-163.7176.3138.6110000111.6
259T33.6Very low31.8Very low97 Ų97147.3 Ų147.360%0.59575%0.752SS**  -149.8113.6-89.8-83.20000112.7
260K39.9Very low32Very low196 Ų196144.9 Ų144.985%0.85275%0.748SS**  trans62.5164.4158.2-65.3170.2-173.4174.10119.8
261H26.8Very low32.2Very low144 Ų144141.6 Ų141.667%0.66774%0.744SS**  cis-179116.2-42.2-148.6-97.8000109H263H261-H263 AromaticContact CE1-CE1 3.41Å; H261-H263 PolarHBondContact CE1-CE1 3.41Å; H261-H263 VanDerWaalsContact CE1-CE1 3.41Å; H261-H263 AromaticContact CE1-ND1 3.41Å; H261-H263 PolarHBondContact CE1-ND1 3.18Å; H261-H263 AromaticContact ND1-ND1 3.82Å; H261-H263 AromaticContact NE2-CE1 3.77Å
262I36.3Very low32.1Very low169 Ų169139.3 Ų139.387%0.86774%0.743SS**  trans-142.5158.7150.6-65.1-167.3000106.7
263H29.6Very low32.2Very low133 Ų133138.6 Ų138.662%0.61674%0.744SS**  trans-138.8170.5-159.3-115.453.3000112.8H261H261-H263 AromaticContact CE1-CE1 3.41Å; H261-H263 PolarHBondContact CE1-CE1 3.41Å; H261-H263 VanDerWaalsContact CE1-CE1 3.41Å; H261-H263 AromaticContact CE1-ND1 3.41Å; H261-H263 PolarHBondContact CE1-ND1 3.18Å; H261-H263 AromaticContact ND1-ND1 3.82Å; H261-H263 AromaticContact NE2-CE1 3.77Å
264I32.5Very low32.1Very low145 Ų145139.8 Ų139.874%0.74474%0.74SS**  trans75.2132.7153.9-77162.1000115.4
265T31.7Very low32.2Very low117 Ų117141 Ų14172%0.71875%0.746SS**  cis-143.4163.39.3-10.50000115
266Q31.4Very low32.1Very low179 Ų179141.6 Ų141.684%0.83675%0.746SS**  trans-47.3171.6167.8-53.5166.520.200114.7
267A33.3Very low32.4Very low74 Ų74147.2 Ų147.261%0.61276%0.755SS**  cis-160170.328.500000116.3
268T34.7Very low32.5Very low129 Ų129148.5 Ų148.579%0.79176%0.764SS**  trans60.5118.1163.457.30000117.4
269E30.9Very low32.6Very low182 Ų182146 Ų14685%0.8576%0.758SS**  cis65.6131.832.1-62.4-165-13400116.4
270T31.9Very low32.8Very low101 Ų101148.8 Ų148.862%0.6277%0.769SS**  cis-162.9160-20.7-54.70000108
271T29.4Very low33.5Very low128 Ų128145.5 Ų145.579%0.78577%0.767SS**  trans74.9159.6146.6-113.50000117.7
272T30.1Very low34Very low107 Ų107143.6 Ų143.666%0.65677%0.77SS**  cis-170.3176.8-31.2-170.20000110.3
273T31.1Very low34.9Very low118 Ų118145.5 Ų145.572%0.72477%0.773SS**  trans65.4137.6175.954.90000117.6
274R30.8Very low35.5Very low216 Ų216144.9 Ų144.982%0.81578%0.778SS**  cis102.5104.319.8-174.4-151.4-173-160.35.6113.9
275H33.3Very low36.2Very low202 Ų202145.3 Ų145.394%0.93578%0.78SS**  trans-138.9163.1155.4-88-78.2000112.1
276K34.7Very low36.4Very low171 Ų171146.9 Ų146.974%0.74378%0.784SS**  trans-142.7141-169.1177.1-174.8173.7-172.70111.9
277R37.1Very low37.8Very low220 Ų220146.4 Ų146.483%0.8379%0.787SS**  trans-4.3133.9164.5-66.6-177.1-95.2166.5-11.9119.6
278T31.3Very low37.9Very low147 Ų147145.8 Ų145.890%0.90279%0.788SS**  trans-136.4172.5141.650.10000109.5
279A33.9Very low38.2Very low91 Ų91144.9 Ų144.975%0.75279%0.793SS**  trans-154.8-175.2-166.600000114.2
280N38Very low38.6Very low156 Ų156140.6 Ų140.683%0.83479%0.789SS**  trans77.4161.5169.4-69.56.1000118.2
281P55.6Low38.7Very low126 Ų126140 Ų14082%0.81879%0.794SS**  cis-127.1-178.7-5.722.61.7000115.8
282S35.8Very low39.5Very low104 Ų104142.2 Ų142.273%0.72780%0.795SS**  trans-83.8167-179.551.30000116
283K56Low39.8Very low210 Ų210146.9 Ų146.991%0.91380%0.802SS**  trans-139.7154.5144.7-75.3-163.3177.2-174.60110.4
284T41.2Very low40.1Very low120 Ų120147.4 Ų147.474%0.73681%0.806SS**  trans-132.2146.7-176.344.30000111.3
285I47.7Very low40.1Very low153 Ų153140.6 Ų140.679%0.78580%0.803SS**  trans37.9122.6147.2-56.2167000117.7
286D36.6Very low40.1Very low151 Ų151137.4 Ų137.481%0.80779%0.792SS**  trans-133.6139134.7-157.7-12.4000109.3
287L60.3Low40.1Very low168 Ų168137 Ų13788%0.8879%0.791SS**  trans-161.785-178.5-95.2178.6000108.4
288G35.2Very low39.8Very low62 Ų62130.8 Ų130.864%0.63979%0.786SS**  trans-168.7137176.800000115.4
289A41.5Very low40Very low109 Ų109129.2 Ų129.290%0.90178%0.781SS**  trans64.8148.9158.100000117.6
290A38.4Very low40.9Very low92 Ų92130 Ų13076%0.7678%0.779SS**  cis-149.1176.4-1200000110.3
291A35.6Very low40.6Very low89 Ų89129.8 Ų129.874%0.73678%0.777SS**  trans-82.3138.2-178.400000114.5
292H45.7Very low39.7Very low174 Ų174132.4 Ų132.481%0.80678%0.779SS**  trans-147114.8156.4-72.8-67.7000107.9
293Y35.8Very low39.5Very low206 Ų206134.4 Ų134.481%0.80878%0.782SS**  100.6108.171.4-108.2-88.3000113.5
294T37.1Very low38.3Very low129 Ų129128.2 Ų128.279%0.79177%0.77SS**  trans20.3142149.665.50000123.8
295G30.6Very low37.9Very low73 Ų73127.8 Ų127.875%0.75377%0.771SS**  trans115.9116.2158.400000112.6
296D34.5Very low37.2Very low134 Ų134125.3 Ų125.372%0.71776%0.763SS**  87.4146.454.2-170.825.3000113.5
297K34.1Very low37.2Very low164 Ų164126.9 Ų126.971%0.71377%0.766SS**  trans81.296.2179-50.8-55.4178.9-124.50119.5
298A31.5Very low36.1Very low89 Ų89124.6 Ų124.674%0.73676%0.759SS**  38.9129.5122.300000122.5
299S36.2Very low36.6Very low114 Ų114126.4 Ų126.480%0.79776%0.759SS**  26.5146.2119.8-60.20000120.5
300P52.2Low36.3Very low108 Ų108129.8 Ų129.870%0.70176%0.756SS**  cis-156.8177.749.645.5-24.9000121.2
301D31.7Very low36.2Very low150 Ų150129.5 Ų129.580%0.80275%0.749SS**  trans85146.5140.1-81.7-43.5000125.4
302Q35.4Very low36.1Very low181 Ų181130.1 Ų130.185%0.84675%0.747SS**  trans95.2139163.7-58.4-169.858.600119.4
303N31.6Very low35.5Very low147 Ų147127.2 Ų127.279%0.78674%0.742SS**  cis-166.3170.5-27.3-160.2-3.8000109.2
304A30.8Very low35.5Very low80 Ų80126 Ų12666%0.66174%0.741SS**  trans69.3121.5170.900000116.3
305S34Very low35.2Very low111 Ų111125.9 Ų125.978%0.77674%0.74SS**  86.8136.854.3-67.10000113.2
306T32.4Very low35.1Very low100 Ų100127.6 Ų127.661%0.61374%0.74SS**  cis-166.6138.8-13.1-80.20000107.2
307H37.2Very low35.2Very low185 Ų185127.6 Ų127.686%0.85675%0.745SS**  trans-177.6114.7134.4-104.4-69.5000114
308T37.8Very low36Very low120 Ų120125.2 Ų125.274%0.73675%0.746SS**  trans-90174.616433.20000109.5
309P45.4Very low35.7Very low100 Ų100126 Ų12665%0.64975%0.746SS**  cis-152.316431.644.1-22.8000121.5
310Q34.8Very low35.6Very low180 Ų180125.5 Ų125.584%0.84174%0.743SS**  trans62.5155.9138.7-74.3178-111.800121.5
311S35.6Very low34.7Very low85 Ų85129.5 Ų129.559%0.59475%0.749SS**  cis-168144.1-20.349.40000113.3
312S33.8Very low34.7Very low102 Ų102127.1 Ų127.171%0.71374%0.744SS**  trans7.9161140.760.10000121.8
313V33.7Very low34.5Very low113 Ų113124.5 Ų124.569%0.68575%0.746SS**  -166.3127.361.4169.20000113.8
314K35.8Very low34.5Very low181 Ų181121.1 Ų121.179%0.78775%0.746SS**  trans41.1161.3133.5-49.4178.5-173.1175.50121.9
315T29.4Very low34.7Very low127 Ų127124.2 Ų124.278%0.77975%0.751SS**  cis-133.1-133.616.6-33.10000112.9
316S28.6Very low34.7Very low108 Ų108125.6 Ų125.676%0.75575%0.749SS**  cis-147.6-179.512.2610000113.2
317V36.5Very low35.1Very low134 Ų134126.5 Ų126.581%0.81275%0.754SS**  trans-160.5179.9-177.2-110.30000108.5
318P51Low35.1Very low115 Ų115124.1 Ų124.175%0.74775%0.748SS**  cis-146.5-15923.345.3-23.2000117.9
319S26.8Very low34.9Very low104 Ų104125.3 Ų125.373%0.72775%0.749SS**  trans90.6128.4170.373.10000116.7
320S32.6Very low34.6Very low105 Ų105128.9 Ų128.973%0.73476%0.755SS**  cis93.514124.3810000114.6
321K33.1Very low34.5Very low192 Ų192126.7 Ų126.784%0.83575%0.749SS**  cis-169.5148-6.9-126.5-174.4179.2-175.20109.6
322S32.6Very low34.3Very low99 Ų99125.5 Ų125.569%0.69275%0.75SS**  trans48.5140150.757.40000124.2
323S31.6Very low34.4Very low126 Ų126126.5 Ų126.588%0.88175%0.752SS**  trans63.7151154.251.40000119.2
324G30.4Very low34.4Very low77 Ų77125.9 Ų125.979%0.79475%0.753SS**  cis-169176.21.200000113
325D35.1Very low34.4Very low144 Ų144126 Ų12677%0.7776%0.756SS**  trans-73.3166.1-172.6179.742.5000115.6
326L33.8Very low34.5Very low140 Ų140124.8 Ų124.873%0.73375%0.753SS**  170120128.4-90.6169.6000114.7
327V41Very low34.5Very low119 Ų119124.3 Ų124.372%0.72176%0.756SS**  trans57.6148152.1-53.70000120.1
328D37.1Very low34.1Very low136 Ų136122.2 Ų122.273%0.72776%0.761SS**  cis-144.5-171.310.9-138.2-2.7000109.2
329L33.3Very low33.2Very low144 Ų144120.5 Ų120.575%0.75477%0.765SS**  cis-152.6168.218.9-175.956000111.7
330F39.9Very low33.4Very low176 Ų176121.2 Ų121.277%0.77277%0.769SS**  trans-45.9152.7165.1-112.6-134.3000115.6
331D31.9Very low33.6Very low133 Ų133120 Ų12071%0.71177%0.765SS**  cis-147.1164.921.3-173.155.4000109.2
332G33.1Very low33.7Very low61 Ų61117.9 Ų117.963%0.62976%0.764SS**  cis-179.7-124.315.500000116.9
333T35.3Very low34.3Very low123 Ų123120.2 Ų120.276%0.75577%0.768SS**  trans-126.9133.1-155.6-49.40000111.4
334S34.3Very low34.3Very low100 Ų100124.3 Ų124.370%0.69977%0.77SS**  -170.614576.2-56.40000114.1
335Q34.8Very low34.3Very low182 Ų182124.2 Ų124.285%0.8577%0.768SS**  trans32.2147139.4-62176.6-6.600122.1
336S31.3Very low34.3Very low103 Ų103121.2 Ų121.272%0.7277%0.772SS**  cis-175.7153.8-15.254.80000111.6
337A29.7Very low34.3Very low98 Ų98124.6 Ų124.681%0.8178%0.781SS**  trans60.6103.2151.600000122
338G28.5Very low34Very low90 Ų90122.7 Ų122.793%0.92878%0.778SS**  65.5140.2117.400000123
339G30.6Very low33.8Very low79 Ų79123 Ų12381%0.81478%0.779SS**  trans150.2102.6157.300000118.1
340S31.8Very low34Very low118 Ų118125.7 Ų125.783%0.82579%0.785SS**  trans28.9115.9150.3-159.80000123
341A36.1Very low33.7Very low79 Ų79119.8 Ų119.865%0.65377%0.774SS**  trans19.2146.7131.900000124.4
342D35.1Very low33.8Very low149 Ų149118.3 Ų118.380%0.79777%0.774SS**  trans69.1124.3154.8-56.3-32.9000119.7
343L46.8Very low33.7Very low148 Ų148121 Ų12178%0.77579%0.791SS**  cis97.272.236.6-163171.6000112.6
344F31.6Very low33.7Very low212 Ų212119.6 Ų119.693%0.9379%0.791SS**  trans-163.3144.7156.9-146.4-100.4000113.9
345G29.5Very low33.5Very low74 Ų74119.4 Ų119.476%0.76380%0.796SS**  trans82139.3161.400000117.6
346G35.4Very low33.5Very low81 Ų81116.4 Ų116.484%0.83580%0.795SS**  trans15737.6176.700000116.6
347F32.6Very low33.3Very low211 Ų211115 Ų11593%0.92580%0.796SS**  trans-90.6142.2172177-90.6000109.9
348A35.3Very low33.3Very low80 Ų80115.7 Ų115.766%0.66180%0.796SS**  trans68.6151.8-164.300000113.6
349D33.9Very low33.4Very low142 Ų142121.2 Ų121.276%0.75979%0.794SS**  cis-136.3152.216.3-171.228.5000114.7G351D349-G351 VanDerWaalsContact C-N 3.33Å; D349-G351 PolarHBondContact O-N 2.68Å; D349-G351 WeakPolarHBondContact OD2-CA 3.35Å
350F35.8Very low34.3Very low201 Ų201123.3 Ų123.388%0.88279%0.793SS**  trans-9562.7171.2179.7-103.8000108.9
351G33.3Very low34.3Very low52 Ų52123.5 Ų123.554%0.53680%0.795SS.*  trans-123.541.4-161.400000116D349D349-G351 VanDerWaalsContact C-N 3.33Å; D349-G351 PolarHBondContact O-N 2.68Å; D349-G351 WeakPolarHBondContact OD2-CA 3.35Å
352S35.8Very low34Very low101 Ų101127.5 Ų127.571%0.70680%0.8SS**  trans19.1109.1165.8-630000119.3A354S352-A354 PolarHBondContact O-N 3.42Å
353A29.4Very low33.7Very low119 Ų119126.7 Ų126.798%0.98380%0.8SS**  trans-67100.3158.400000110.1
354A35.1Very low32.8Very low92 Ų92124.9 Ų124.976%0.7680%0.796SS**  trans-115.9123.8-179.300000111.8S352S352-A354 PolarHBondContact O-N 3.42Å
355A31.4Very low32.6Very low96 Ų96119 Ų11979%0.79379%0.785SS**  trans-155.6134.8167.900000108.6
356S34.7Very low32.5Very low120 Ų120120 Ų12084%0.83979%0.787SS**  cis-156.8160.8-14-74.10000106.1
357G27.6Very low32.1Very low72 Ų72122.3 Ų122.374%0.74279%0.79SS**  cis179.5-164.8400000107.2
358S28Very low31.9Very low114 Ų114115.6 Ų115.680%0.79778%0.781SS**  cis-157.8159.5-3.7-78.50000109.9
359F32Very low31.7Very low205 Ų205119.8 Ų119.890%0.89979%0.792SS**  trans-86.6-178.7173.2-45.9-95.8000111.2
360P48.5Very low31.7Very low123 Ų123116.9 Ų116.980%0.79980%0.795SS**  -140.5-169.561.642.8-23.2000112.9
361S31.8Very low31.7Very low122 Ų122115.1 Ų115.185%0.85380%0.795SS**  cis-153.4-176.28.4-152.20000113
362Q30.1Very low31.7Very low164 Ų164122.3 Ų122.377%0.76681%0.812SS**  trans-138.3143-162.6167-161.5-16.300114.1
363V29.2Very low31.7Very low131 Ų131120.8 Ų120.879%0.79481%0.812SS**  trans-154.6121.7147.4-167.10000107.4
364T27.8Very low32.2Very low111 Ų111121.4 Ų121.468%0.68180%0.799SS**  54.2145.981.93.90000115.4
365A27.4Very low32.6Very low87 Ų87129.5 Ų129.572%0.71981%0.81SS**  cis-160.9178.67.100000113.7
366A28.1Very low33.1Very low95 Ų95129.1 Ų129.179%0.78580%0.802SS**  trans87.7113.6143.700000123.5
367S27.1Very low33.5Very low131 Ų131128.5 Ų128.592%0.91680%0.804SS**  62.9124.1120.2-166.20000122.4
368G27.7Very low34Very low70 Ų70134.5 Ų134.572%0.72281%0.81SS**  trans166142.7158.900000114.1
369N31.7Very low34.7Very low167 Ų167135.7 Ų135.789%0.89381%0.807SS**  trans-36.6150.8-179.3-62.8-5.1000117
370G33.8Very low34.8Very low81 Ų81135.4 Ų135.484%0.83581%0.809SS**  trans-85.7173.1163.500000112.9
371D35.4Very low34.3Very low165 Ų165133.6 Ų133.688%0.88280%0.804SS**  trans-139.4155.4158.6-168.622.7000110.1
372F33.3Very low34.8Very low203 Ų203134.2 Ų134.289%0.8981%0.805SS**  trans-104.482.8-170.3180-100000112.1
373G36.7Very low34.9Very low69 Ų69132.2 Ų132.271%0.71181%0.809SS**  trans96.4150150.700000118
374D39Very low35.3Very low131 Ų131129.6 Ų129.670%0.70181%0.808SS**  trans-138.8122142.6-178.221.3000108.8S376D374-S376 WeakPolarHBondContact OD1-CB 3.47Å; D374-S376 PolarHBondContact OD1-N 3.17Å; D374-S376 PolarHBondContact OD1-OG 2.85Å
375W42.6Very low36Very low263 Ų263130.1 Ų130.1100%0.99681%0.814SS**  trans-104.431-178.1-173.6-93000110.9
376S43.4Very low36.1Very low88 Ų88132.7 Ų132.762%0.61582%0.82SS**  trans-99.414.5-170.5-56.10000115.4D374D374-S376 WeakPolarHBondContact OD1-CB 3.47Å; D374-S376 PolarHBondContact OD1-N 3.17Å; D374-S376 PolarHBondContact OD1-OG 2.85Å
377A41.6Very low36.4Very low106 Ų106132.3 Ų132.388%0.87682%0.817SS**SBendtrans-91.93.2-168.200000117.1
378F38.2Very low36.6Very low199 Ų199132 Ų13287%0.87382%0.815SS**SBendtrans-114.3-7.6-175.1-164.4-106.6000115.8
379N42.3Very low36.8Very low139 Ų139135 Ų13574%0.74383%0.825SS**  trans-123.579.9-173.5-94.8-11.5000113.6
380Q34.7Very low36.8Very low199 Ų199130.7 Ų130.793%0.9382%0.82SS**  trans-168.5152.8132.9-107.8150.398.600113.9
381A37.5Very low37.1Very low84 Ų84135.3 Ų135.369%0.69482%0.82SS**  trans-89.9164.1174.600000110.5
382P44Very low36.7Very low135 Ų135135.4 Ų135.488%0.87781%0.813SS**  trans-78.4144.2-164.431-35.6000114
383S31.1Very low36.6Very low123 Ų123135.2 Ų135.286%0.8681%0.812SS**  trans-132.2143.4163.256.40000109.1
384G37.1Very low36.1Very low75 Ų75135.1 Ų135.177%0.77381%0.81SS**  trans-118.3155.9-175.900000112.9
385P43.7Very low35.6Very low122 Ų122134.5 Ų134.579%0.79282%0.817SS**  trans-124.7165.2160.838.7-27000111.7
386V29.8Very low35Very low141 Ų141126.1 Ų126.186%0.85580%0.803SS**  cis-157.1160.4-18.7127.20000106.6
387A33.4Very low34.5Very low87 Ų87127.4 Ų127.472%0.71981%0.812SS**  trans-75.3162.8-176.900000114.9
388S31.6Very low34.3Very low126 Ų126130.8 Ų130.888%0.88181%0.81SS**  trans-151.3148.4154.6-78.70000110.2
389S32.7Very low34.7Very low132 Ų132127.1 Ų127.192%0.92381%0.806SS**  trans-97.2158.7-161.6-46.40000114.1
390G30.8Very low34.4Very low77 Ų77124.2 Ų124.279%0.79480%0.801SS**  trans175126.6167.900000112.1
391E40.1Very low34.3Very low178 Ų178120.8 Ų120.883%0.83279%0.794SS**  trans-109.6-177.2-177.9-64.2-179.4102.200112.4
392F27.8Very low34Very low167 Ų167124.7 Ų124.773%0.73280%0.798SS**  trans88.5114.7158.5-90.4-99.8000121.9
393F30.9Very low33.4Very low199 Ų199125.2 Ų125.287%0.87379%0.792SS**  trans74.4142.3137.2-110-114.7000122.2
394G26.2Very low33.3Very low66 Ų66125.4 Ų125.468%0.6879%0.788SS**  trans148.949.5142.300000124.3
395S28.5Very low33Very low119 Ų119127.4 Ų127.483%0.83279%0.79SS**  trans68.3133.9145.2-1530000123.6
396A30.6Very low32.4Very low86 Ų86125.1 Ų125.171%0.71179%0.789SS**  trans34.1140.8141.900000122.1
397S32Very low32.7Very low116 Ų116123.6 Ų123.681%0.81178%0.784SS**  -172.3167.350.1420000113.7
398Q37.5Very low32.8Very low176 Ų176127.9 Ų127.982%0.82279%0.79SS**  trans-123.2165.6165.8-74.4-163.8-8.400110.7
399P47.2Very low33Very low122 Ų122127.8 Ų127.879%0.79279%0.789SS**  -134.1157.6107.537.9-29.3000112.8
400A34.8Very low33Very low78 Ų78126 Ų12665%0.64578%0.782SS**  cis94.9109.314.900000117.4
401V32.4Very low33Very low127 Ų127130.6 Ų130.677%0.7779%0.788SS**  trans-173.7119.7145.7-92.70000106.8
402E32.2Very low32.4Very low167 Ų167124.8 Ų124.878%0.7878%0.776SS**  70.5138.779.3-69.6-173.381.100114.2
403L30.1Very low33.5Very low146 Ų146123 Ų12376%0.76478%0.781SS**  cis-143.6-1558.3-152.147.9000108.3
404V29.6Very low34.9Very low127 Ų127119.2 Ų119.277%0.7778%0.776SS**  cis-162.6177.810.373.30000112.5
405S32Very low36.3Very low116 Ų116121.5 Ų121.581%0.81178%0.779SS**  trans-77.8174.6-174.6-430000116.3
406G31.1Very low36.6Very low75 Ų75120.6 Ų120.677%0.77378%0.778SS**  cis-179.9-160.87.300000109.8
407S36.3Very low36.9Very low108 Ų108120.7 Ų120.776%0.75578%0.779SS**  cis-171-175.5-5.562.40000110.5
408Q34.4Very low37Very low177 Ų177120.4 Ų120.483%0.82778%0.777SS**  trans74122.8-179.5-49.1-176.67.300114.8
409S35.4Very low36.9Very low124 Ų124119 Ų11987%0.86778%0.775SS**  cis91.613324.1-56.10000114.3
410A33.1Very low36.3Very low94 Ų94118.2 Ų118.278%0.77777%0.773SS**  cis-151-155.7-1.500000109.5
411L31Very low36.3Very low175 Ų175119.7 Ų119.792%0.91678%0.778SS**  cis-157.2-130.79.8-143.7176.1000111.4
412G28.3Very low36.5Very low56 Ų56120.6 Ų120.658%0.57778%0.779SS**  trans-158.8-175.5179.500000111.5
413P50.7Low36.8Very low130 Ų130120.6 Ų120.684%0.84478%0.783SS**  cis-139.9-169.738.243-21.5000115.7
414P60.5Low37.3Very low118 Ų118122.5 Ų122.577%0.76679%0.786SS**  trans-102.1-164.9-167.144-36.8000113.7
415P54.3Low37.5Very low115 Ų115123 Ų12375%0.74778%0.784SS**  cis-147177.112.745.7-25.4000120.8
416A35Very low37.6Very low99 Ų99125.7 Ų125.782%0.81879%0.789SS**  trans59.4149148.700000121.8
417A37.8Very low37.6Very low88 Ų88130.6 Ų130.673%0.72779%0.794SS**  cis-172.1155.9-2000000110.2
418S34.1Very low37.2Very low110 Ų110128.7 Ų128.777%0.76979%0.791SS**  trans167.6147.2142.7-79.20000116
419N35Very low37.2Very low146 Ų146125.5 Ų125.578%0.78179%0.788SS**  trans76.593.4153.5-58.1-18.1000122.8
420S34.1Very low37Very low106 Ų106124.4 Ų124.474%0.74178%0.78SS**  49.6145.1120.663.70000123.3
421S34.5Very low37Very low109 Ų109128.9 Ų128.976%0.76279%0.785SS**  cis-174.8159.6-17.7490000109.8
422D36.4Very low37Very low147 Ų147124.9 Ų124.979%0.78678%0.778SS**  trans-74.7158.1-172.3-44.1-100.5000115.9
423L39Very low37.1Very low166 Ų166127.5 Ų127.587%0.86978%0.782SS**  -165.4152.2113.2-131.375.1000113
424F41.2Very low36.3Very low187 Ų187129.1 Ų129.182%0.8278%0.78SS**  trans-119.4176.3162.2-145-96.8000108.4
425D32.7Very low34.8Very low138 Ų138129.1 Ų129.174%0.73878%0.779SS**  trans64.5126.9179-74.7-28.8000118.6
426L34.1Very low33.8Very low172 Ų172128.1 Ų128.190%0.90178%0.775SS**  -155.2140.1107.8-172.457.7000110.7
427M32Very low33.6Very low178 Ų178128.5 Ų128.588%0.87777%0.771SS**  trans-108.8142.3178.8-141.2-155.2-48.500111.3
428G28.1Very low33.7Very low67 Ų67133.6 Ų133.669%0.69178%0.78SS**  trans79.3172.7169.800000116.1
429S33.5Very low33.8Very low110 Ų110133.2 Ų133.277%0.76978%0.777SS**  cis-166.3146.3-14.449.10000112.4
430S31.8Very low33.7Very low101 Ų101135.1 Ų135.171%0.70678%0.784SS**  trans62.9129.2149.656.10000123.3
431Q32.9Very low33.7Very low188 Ų188135.7 Ų135.788%0.87978%0.778SS**  trans91.4144.4136.7-79.8-178.11.600123.7
432A30.9Very low33.6Very low92 Ų92139 Ų13976%0.7678%0.779SS**  trans76.3151153.300000121.2
433T29.8Very low33.1Very low110 Ų110137.1 Ų137.168%0.67578%0.778SS**  cis-162.7166.2-39.8-53.20000106.8
434M34Very low32.7Very low164 Ų164137 Ų13781%0.80878%0.775SS**  trans76.6156.1165.5-52.7-56.8177.500116.8
435T29.7Very low32.3Very low119 Ų119136.2 Ų136.273%0.7378%0.776SS**  cis-167.2178.1-28.1-170.40000110.6
436S32.4Very low32.2Very low94 Ų94134.1 Ų134.166%0.65777%0.772SS**  trans57.7102.4160.963.20000121.2
437S32.6Very low32.1Very low107 Ų107131.5 Ų131.575%0.74876%0.763SS**  10.8136122.1-42.40000120.5
438Q38Very low32.1Very low194 Ų194129.5 Ų129.591%0.90776%0.756SS**  -167.8161.3105.9-104.7161.1112.500114.4
439S36.1Very low32.3Very low103 Ų103132 Ų13272%0.7276%0.758SS**  trans-95.8158.5176.7500000112.1
440M34.8Very low32.5Very low185 Ų185133.5 Ų133.591%0.91176%0.762SS**  -174.8-178.9125.4-103.1-56.5-160.100112.2
441N32.9Very low32.5Very low118 Ų118132.1 Ų132.163%0.63176%0.764SS**  trans-144.5160.9-159.4-163.10.7000113.4
442F31.8Very low32.5Very low179 Ų179132 Ų13279%0.78577%0.769SS**  trans76.2157.8162-71.6-59.2000123.3
443S25.9Very low32.5Very low108 Ų108131.3 Ų131.376%0.75577%0.77SS**  trans75.4121.1168-59.80000117.2
444M31.2Very low32.9Very low164 Ų164133.9 Ų133.981%0.80878%0.779SS**  cis93.9131.139.3-80-158.8176.500113.9
445M32.2Very low33.8Very low170 Ų170131 Ų13184%0.83777%0.773SS**  trans69.6153.3169.7-50.6-164.4-163.200115.6
446S31.4Very low34Very low93 Ų93133 Ų13365%0.6578%0.776SS**  cis-165.8160-21.6-99.20000111.1
447T32Very low33.9Very low117 Ų117132.8 Ų132.872%0.71877%0.774SS**  trans55.5118.5150.852.40000123
448N32.3Very low33.9Very low136 Ų136139.1 Ų139.173%0.72778%0.781SS**  81.1120.9126.1-67.3-0.2000124.5
449T32.8Very low33.7Very low121 Ų121134.8 Ų134.874%0.74277%0.773SS**  trans61.2128.7134.162.20000119.9
450V36.7Very low33.6Very low140 Ų140138.8 Ų138.885%0.84878%0.78SS**  -165151.869.3-81.60000114
451G32Very low35Very low73 Ų73134.8 Ų134.875%0.75377%0.768SS**  trans56.8156.314900000121.4
452L32.4Very low34.9Very low185 Ų185137.4 Ų137.497%0.96978%0.781SS**  cis-164.8146.9-5.6-108.4161.3000107.7
453G31.1Very low34.9Very low77 Ų77137 Ų13779%0.79478%0.782SS**  trans142106.6167.100000117.3
454L38.5Very low35Very low165 Ų165139 Ų13986%0.86478%0.784SS**  trans-142.7167.6172.6-98.5169.2000107
455P53.9Low35.1Very low103 Ų103138 Ų13867%0.66979%0.786SS**  cis-136.4166.836.838.6-17.9000116
456M34.2Very low34.9Very low162 Ų162135.2 Ų135.280%0.79878%0.784SS**  178.3166.885.6-85.1-135.6-179.500110.9
457S30.2Very low34.9Very low88 Ų88137.6 Ų137.662%0.61579%0.794SS**  cis-175.6152.6-21.7-91.30000111.3
458R31.6Very low34.9Very low240 Ų240138.1 Ų138.191%0.90680%0.798SS**  trans55.9130.8139.4-159172.5-173161.13.2119.9
459S34.3Very low34.8Very low104 Ų104138.2 Ų138.273%0.72780%0.797SS**  cis-160.8174.54.335.30000112.6
460Q32.9Very low34.8Very low186 Ų186140.6 Ų140.687%0.86980%0.8SS**  trans-111.1-148.1177-56.9-172-4.800114.2
461P65.7Low34.4Very low102 Ų102143.1 Ų143.166%0.66280%0.799SS**  -133.2-174.5-121.441.4-19000116.5
462L29.8Very low34.9Very low173 Ų173145.1 Ų145.191%0.90680%0.799SS**  trans-171.2-166.5138.3-126.972.3000114.1
463Q32.3Very low35Very low171 Ų171143.4 Ų143.480%0.79979%0.791SS**  trans-122-177.4-161.1-64.7-160.1-8.500117.1
464N28.4Very low35.6Very low150 Ų150145.2 Ų145.280%0.80279%0.789SS**  trans83.5153.5174.4-54.8-14.2000114.9
465V32Very low35.1Very low141 Ų141145 Ų14586%0.85579%0.788SS**  cis-137.8166.520.1-162.40000111.8
466S28.6Very low34Very low113 Ų113149.4 Ų149.479%0.7979%0.792SS**  trans-67.1159.1-176.9-45.20000117.2
467T30.7Very low33.7Very low142 Ų142146.1 Ų146.187%0.87178%0.778SS**  trans-91158.816848.20000113.2
468V32.6Very low33.7Very low129 Ų129149.2 Ų149.278%0.78278%0.783SS**  trans-146.2138.1-175.5146.80000112.2
469L30.6Very low33.5Very low137 Ų137144.1 Ų144.172%0.71777%0.773SS**  trans73126.9158.9-109.762.3000124
470Q31.4Very low33.5Very low172 Ų172146.1 Ų146.180%0.80478%0.781SS**  80.6125.1128.4-91.9164.6900125.5
471K29.7Very low33.4Very low192 Ų192143.8 Ų143.884%0.83578%0.775SS**  trans-60.2167.6145.8-94.2-180175.1178.20111.3
472P42.6Very low31.8Very low115 Ų115148 Ų14875%0.74779%0.788SS**  cis-143.6-175.430.341.4-21.2000117.5
473N33.8Very low32Very low149 Ų149145.1 Ų145.180%0.79778%0.777SS**  trans-68.1163.7162.9-60.214.3000111.2
474P44.2Very low31.9Very low116 Ų116145.4 Ų145.475%0.75378%0.779SS**  -150.5144.4105.737.6-20.9000118
475L27.7Very low31.9Very low161 Ų161147.5 Ų147.584%0.84378%0.781SS**  trans50152.2136.2-84.9144.6000126
476Y29.8Very low31.8Very low194 Ų194145.7 Ų145.776%0.76177%0.774SS**  trans84.5106151.2-127.7-126.1000118.2
477N28.3Very low31.9Very low93 Ų93147 Ų14750%0.49778%0.777SS.*  93.3153.794.1-157.643000110.5
478Q29.9Very low32Very low154 Ų154145.3 Ų145.372%0.7277%0.771SS**  cis-148.7171.216.4-164.7159.830.200112.4
479N27.4Very low32.3Very low132 Ų132148.9 Ų148.971%0.70678%0.776SS**  trans-58.5154.7177.2-48.1-84.2000115.3
480T35.8Very low32.7Very low146 Ų146148.8 Ų148.890%0.89678%0.782SS**  trans-152130.3133.412.30000111.5
481D30.1Very low33.3Very low137 Ų137148.5 Ų148.573%0.73379%0.785SS**  trans-67.7152.9169.1-70.9-104.9000112.8
482M32.8Very low33.7Very low191 Ų191144.7 Ų144.794%0.94178%0.78SS**  trans-151.1159.4130.8-100.6-166.881.300110.4
483V32.8Very low33.9Very low112 Ų112144.6 Ų144.668%0.67978%0.782SS**  trans-128.3166.6-152.6141.50000112.7
484Q30.6Very low34.6Very low178 Ų178142.5 Ų142.583%0.83277%0.774SS**  trans82.5148.1-178.9-69170.113.100115.5
485K29.1Very low34.7Very low193 Ų193148 Ų14884%0.83978%0.78SS**  cis-141.2143.215.3-163.5170.8-178.7173.60112.6
486S30.5Very low35.6Very low103 Ų103145.8 Ų145.872%0.7278%0.778SS**  trans-95.6147.1177.849.20000113.3
487V30.6Very low36.1Very low140 Ų140142 Ų14285%0.84877%0.771SS**  trans-140.8115.8157.6177.20000107.9
488S32.3Very low37.2Very low107 Ų107144 Ų14475%0.74879%0.789SS**  trans-90.9142.8179.2-51.40000111.5
489K37.9Very low38Very low204 Ų204141 Ų14189%0.88779%0.785SS**  trans-130.1135154.9-80.9-171174.4-178.90109.3
490T38.7Very low39Very low136 Ų136139.8 Ų139.883%0.83478%0.782SS**  trans-88.5146.2-173440000111.8
491L46Very low39.4Very low166 Ų166140 Ų14087%0.86978%0.778SS**  trans-113.4151.6168.4-69.6175.8000109.8
492P36.3Very low40.4Very low112 Ų112139.4 Ų139.473%0.72777%0.773SS**  trans-74.3154.5-179.931.1-35.5000112.8T494P492-T494 PolarHBondContact O-N 3.41Å
493S48.5Very low41Very low112 Ų112134.7 Ų134.778%0.78376%0.759SS**SBendtrans-86.992.9-175.7-170.80000112.5
494T47.7Very low41.8Very low105 Ų105136.3 Ų136.364%0.64476%0.763SS**  trans-142.15.8168.660.20000115.2P492P492-T494 PolarHBondContact O-N 3.41Å
495W47Very low42.6Very low233 Ų233135.3 Ų135.388%0.88376%0.764SS**  trans-136.482.9-178-67.198.9000111.2
496S45.5Very low43.7Very low114 Ų114133.2 Ų133.280%0.79776%0.762SS**  trans-139.357.2177.1-61.60000110.6
497D40.5Very low44.5Very low114 Ų114135.2 Ų135.261%0.6176%0.764SS**  trans-109.7122.9168.6-171.8-41.3000108.3S499D497-S499 VanDerWaalsContact C-N 3.26Å; D497-S499 PolarHBondContact O-N 2.82Å; D497-S499 WeakPolarHBondContact OD1-CB 3.2Å; D497-S499 PolarHBondContact OD1-N 2.85Å; D497-S499 PolarHBondContact OD1-OG 3.29Å
498P51.9Low45.1Very low135 Ų135136.6 Ų136.688%0.87777%0.765SS**THydrogen-bonded Turntrans-80.24.7-176.433.7-36.5000114.5
499S46.9Very low45.5Very low90 Ų90137.5 Ų137.563%0.62977%0.769SS**THydrogen-bonded Turntrans-86.4-8.4-169.363.50000116.8D497D497-S499 VanDerWaalsContact C-N 3.26Å; D497-S499 PolarHBondContact O-N 2.82Å; D497-S499 WeakPolarHBondContact OD1-CB 3.2Å; D497-S499 PolarHBondContact OD1-N 2.85Å; D497-S499 PolarHBondContact OD1-OG 3.29Å
500V47.6Very low45.6Very low107 Ų107131.4 Ų131.465%0.64876%0.764SS**  trans-122.4106.9-176.4-163.60000112.1I502V500-I502 HydrophobicContact CG1-CD1 4.06Å; V500-I502 HydrophobicContact CG1-CG1 3.77Å; V500-I502 PolarHBondContact O-N 3.49Å
501N43.9Very low45.6Very low151 Ų151134.1 Ų134.181%0.80777%0.769SS**  trans-86.1107.9173.1-168.9-79.6000110.3
502I51.1Low45.3Very low124 Ų124135.2 Ų135.264%0.63677%0.77SS**  trans-114.2105.4175-52.4-177.3000108.7V500 L504V500-I502 HydrophobicContact CG1-CD1 4.06Å; V500-I502 HydrophobicContact CG1-CG1 3.77Å; V500-I502 PolarHBondContact O-N 3.49Å; I502-L504 PolarHBondContact O-N 3.02Å
503S44.8Very low45.6Very low92 Ų92136 Ų13664%0.64378%0.775SS**  trans-64.6112.4175-61.30000111.1D505S503-D505 PolarHBondContact O-N 3.17Å; S503-D505 VanDerWaalsContact O-N 3.17Å
504L50.8Low45Very low147 Ų147136.2 Ų136.277%0.7778%0.777SS**G310 helixtrans-74.10.5-176.4-122.870.4000115I502 N506I502-L504 PolarHBondContact O-N 3.02Å; L504-N506 VanDerWaalsContact C-N 3.27Å; L504-N506 PolarHBondContact O-N 3.09Å
505D47.3Very low44.6Very low156 Ų156140.5 Ų140.583%0.83479%0.786SS**G310 helixtrans-64.1-27.9-173.9-157.6-126.6000113.5S503 L507S503-D505 PolarHBondContact O-N 3.17Å; S503-D505 VanDerWaalsContact O-N 3.17Å; D505-L507 PolarHBondContact O-N 3.45Å
506N51.6Low44.3Very low150 Ų150135.6 Ų135.680%0.80279%0.785SS**G310 helixtrans-92.710.2-169.6-111.17.3000115.3L504L504-N506 VanDerWaalsContact C-N 3.27Å; L504-N506 PolarHBondContact O-N 3.09Å
507L48.7Very low44Very low145 Ų145139.2 Ų139.276%0.75979%0.789SS**  trans-131.745.6-169.2-70.9178.1000116D505D505-L507 PolarHBondContact O-N 3.45Å
508L42.4Very low44.1Very low169 Ų169142.3 Ų142.389%0.88580%0.8SS**SBendtrans-137139.7153.7-89.4176.3000111.4
509P40.8Very low43.8Very low126 Ų126142 Ų14282%0.81880%0.798SS**  trans-92.9132.5-170.634.3-33.6000113.9
510G39.3Very low44.4Very low76 Ų76141.6 Ų141.678%0.78480%0.795SS**  trans122.176.1150.900000117.7
511M39.7Very low44.4Very low193 Ų193143 Ų14395%0.95180%0.798SS**  trans-151.5162150.1-109.4157.869.800110.5
512Q39.6Very low44.9Very low188 Ų188142 Ų14288%0.87979%0.793SS**PPolyproline II helixtrans-77.8149.4-163.7-69-178.9-3400114.5
513P41.8Very low45.1Very low129 Ų129141 Ų14184%0.83879%0.792SS**PPolyproline II helixtrans-74.2131.517131-34000111.9
514S35.6Very low45.5Very low117 Ų117143.7 Ų143.782%0.81880%0.797SS**PPolyproline II helixtrans-83.7156.9169.550.90000111.6
515K39.3Very low45.8Very low194 Ų194141.7 Ų141.784%0.84379%0.785SS**PPolyproline II helixtrans-73.3146.1-175.5-62.2174.5-178.6175.30111.8Q517K515-Q517 PolarHBondContact O-N 2.88Å
516P41Very low46.1Very low131 Ų131141.5 Ų141.585%0.85178%0.779SS**PPolyproline II helixtrans-63.5131.9161.129-33.4000109.6
517Q39.2Very low46.1Very low190 Ų190142.8 Ų142.889%0.88878%0.781SS**PPolyproline II helixtrans-99.7139.4-176.4-160.4168.75.300110.4K515K515-Q517 PolarHBondContact O-N 2.88Å
518Q43.7Very low46.4Very low179 Ų179144.1 Ų144.184%0.83678%0.783SS**PPolyproline II helixtrans-69.8148.5-178.4-71.7178.1-3200112.1
519P44.5Very low46.2Very low129 Ų129142.3 Ų142.384%0.83877%0.774SS**PPolyproline II helixtrans-66.9138.2172.229.2-34.6000110.9
520S59.4Low45.8Very low80 Ų80143.4 Ų143.456%0.55977%0.77SS**PPolyproline II helixtrans-92.3149.2179.661.80000112.5N522 T523S520-N522 VanDerWaalsContact C-N 3.26Å; S520-N522 PolarHBondContact O-N 3.44Å; S520-N522 VanDerWaalsContact O-N 3.15Å; S520-T523 PolarHBondContact O-N 3.17Å
521L48.5Very low45.5Very low138 Ų138147.8 Ų147.872%0.72377%0.771SS**THydrogen-bonded Turntrans-62.6-27.5-165-149.4154.6000113.9T523 M524 I525L521-T523 VanDerWaalsContact C-N 3.29Å; L521-T523 PolarHBondContact O-N 3.19Å; L521-M524 PolarHBondContact O-N 2.99Å; L521-I525 HydrophobicContact CD2-CD1 3.89Å
522N53.3Low45.4Very low130 Ų130146.9 Ų146.970%0.69576%0.764SS**Hα-helixtrans-62.4-30.7-178.9-70.9-16.7000113.7S520 M524 I525 Q526S520-N522 VanDerWaalsContact C-N 3.26Å; S520-N522 PolarHBondContact O-N 3.44Å; S520-N522 VanDerWaalsContact O-N 3.15Å; N522-M524 VanDerWaalsContact C-N 3.3Å; N522-M524 PolarHBondContact O-N 2.85Å; N522-I525 PolarHBondContact O-N 2.9Å; N522-Q526 PolarHBondContact O-N 3.43Å
523T56Low46Very low101 Ų101143 Ų14362%0.6276%0.755SS**Hα-helixtrans-69-27.9-176.5-48.20000112.6S520 L521S520-T523 PolarHBondContact O-N 3.17Å; L521-T523 VanDerWaalsContact C-N 3.29Å; L521-T523 PolarHBondContact O-N 3.19Å
524M53.9Low45.3Very low150 Ų150144.1 Ų144.174%0.73975%0.751SS**Hα-helixtrans-78.4-35.7178.2-178.7170.9-9500112.5L521 N522 Q526L521-M524 PolarHBondContact O-N 2.99Å; N522-M524 VanDerWaalsContact C-N 3.3Å; N522-M524 PolarHBondContact O-N 2.85Å; M524-Q526 VanDerWaalsContact C-N 3.32Å; M524-Q526 PolarHBondContact O-N 2.9Å
525I56.5Low45Very low104 Ų104145.1 Ų145.153%0.53375%0.747SS.*Hα-helixtrans-67.9-32-179.4-80172000112L521 N522 Q527 Q528L521-I525 HydrophobicContact CD2-CD1 3.89Å; N522-I525 PolarHBondContact O-N 2.9Å; I525-Q527 PolarHBondContact O-N 3.46Å; I525-Q527 VanDerWaalsContact O-N 3.15Å; I525-Q528 PolarHBondContact O-N 3.27Å
526Q53.4Low44.8Very low152 Ų152142.6 Ų142.671%0.7175%0.747SS**THydrogen-bonded Turntrans-66-17.5-176.9-162.958.678.700114.1N522 M524N522-Q526 PolarHBondContact O-N 3.43Å; M524-Q526 VanDerWaalsContact C-N 3.32Å; M524-Q526 PolarHBondContact O-N 2.9Å
527Q52.4Low44.5Very low178 Ų178145.3 Ų145.383%0.83275%0.751SS**THydrogen-bonded Turntrans-86.5-8.9177.8-69.8-170-9.600114.7I525I525-Q527 PolarHBondContact O-N 3.46Å; I525-Q527 VanDerWaalsContact O-N 3.15Å
528Q53.5Low44.3Very low172 Ų172142.1 Ų142.180%0.80475%0.745SS**SBendtrans-97.2-1.4-173.8-72.7-166.1-14.100115.6I525I525-Q528 PolarHBondContact O-N 3.27Å
529N37.8Very low43.9Very low132 Ų132141.5 Ų141.571%0.70674%0.742SS**  trans-140.282.5-174.2-164.7-2000114
530M32.9Very low43.7Very low148 Ų148138.6 Ų138.673%0.72973%0.725SS**SBendtrans-16699.3143.9-103.8-62-75.800111.3
531Q33.2Very low42.5Very low169 Ų169144.3 Ų144.379%0.7974%0.74SS**  trans59101.3150-66.7177.21.600121.9
532Q38.5Very low41.9Very low174 Ų174141.3 Ų141.381%0.81374%0.743SS**  trans-58.8178.6132.7-71.4-82.4-4.100112
533P51.8Low41Very low106 Ų106139.8 Ų139.869%0.68875%0.748SS**  cis-132.3-178.1-11.935.7-17.6000114.3
534M26.2Very low40.1Very low152 Ų152141.2 Ų141.275%0.74976%0.756SS**  -167.6144.8122.3-107.3-61.7-88.800114.1
535N30.2Very low39.3Very low139 Ų139141.2 Ų141.274%0.74376%0.759SS**  trans41.288.9168.8-77.72.2000119.6
536V34.5Very low38.2Very low140 Ų140143.1 Ų143.185%0.84877%0.77SS**  trans-94.3136.6135.9-73.40000109.1
537M35Very low37.2Very low189 Ų189141.5 Ų141.593%0.93178%0.775SS**  trans-86.9134.7170.4176.9174-80.500109.7
538T35.6Very low36.3Very low123 Ų123138.4 Ų138.476%0.75577%0.773SS**  trans-145.1157171-166.50000111.9
539Q33.9Very low36.6Very low165 Ų165135.5 Ų135.577%0.77177%0.769SS**  trans-148.8147169.1-74.6-88.16.300106.7
540S41.6Very low36.3Very low69 Ų69134.6 Ų134.648%0.48377%0.773SS.*  cis172.8136-18.9-87.70000106.8
541F34.4Very low36.1Very low199 Ų199134.6 Ų134.687%0.87378%0.776SS**  cis-133.6-159.7-8.3-65.6-73.8000107.3
542G35.6Very low36.3Very low76 Ų76134.4 Ų134.478%0.78478%0.777SS**  cis88.61279.900000113.6
543A34Very low36.5Very low97 Ų97133.8 Ų133.880%0.80278%0.779SS**  cis-153.4-164.4-9.400000107.4
544V37.7Very low35.8Very low132 Ų132134.8 Ų134.880%0.879%0.785SS**  cis-154.4139.621.1-81.10000109.4
545N36.4Very low36.3Very low150 Ų150133.8 Ų133.880%0.80279%0.787SS**  82.7146.599.1-156.212.6000118.7
546L33.8Very low36.5Very low144 Ų144136.7 Ų136.775%0.75479%0.788SS**  trans85.2112.6168.4-78160.6000122.4
547S31.4Very low37.4Very low117 Ų117135.6 Ų135.682%0.81878%0.784SS**  trans67.4134.5154.444.40000121.6
548S34.5Very low37.1Very low114 Ų114133.5 Ų133.580%0.79777%0.771SS**  trans-102.4179.8-171.9-15.10000113.1
549P60.3Low37Very low110 Ų110133 Ų13371%0.71477%0.769SS**  cis-134.6-177.1-12.938.6-21000115
550S31.6Very low36.9Very low113 Ų113132.3 Ų132.379%0.7977%0.77SS**  trans86.8152.7152.7-580000120.8
551N27.9Very low36.3Very low148 Ų148135 Ų13579%0.79178%0.784SS**  trans70.8111.6173.3-87.26.3000121.5
552M36.5Very low36.1Very low165 Ų165132.4 Ų132.481%0.81378%0.778SS**  36122.4123.9-63.3-165.5164.200121.5
553L43Very low36Very low161 Ų161135.9 Ų135.984%0.84378%0.777SS**  trans57126.7149.8-57.4172.6000119.2
554P37.2Very low35.8Very low128 Ų128135 Ų13583%0.83178%0.778SS**  trans-135.5167.8140.537.1-24.4000114.3
555V37.3Very low35.4Very low130 Ų130132.4 Ų132.479%0.78878%0.778SS**  trans-142.2154.2179.1172.10000108.9
556R35.1Very low36Very low201 Ų201131.3 Ų131.376%0.75878%0.779SS**  trans70.2-179.8168.9-106.8-174.8150.1138.2-0.4114.8Q558R556-Q558 VanDerWaalsContact CZ-O 3.27Å; R556-Q558 PolarHBondContact NE-O 2.96Å; R556-Q558 PolarHBondContact NH2-O 2.8Å
557P52.8Low36.2Very low117 Ų117132.2 Ų132.276%0.7678%0.781SS**  cis-109.4175.110.636.4-19.9000114.3
558Q28.2Very low37.1Very low144 Ų144132 Ų13267%0.67378%0.777SS**  cis-127.2-153.625.9-37.7-175.511.300112.4R556R556-Q558 VanDerWaalsContact CZ-O 3.27Å; R556-Q558 PolarHBondContact NE-O 2.96Å; R556-Q558 PolarHBondContact NH2-O 2.8Å
559T32.6Very low37.4Very low114 Ų114134.6 Ų134.670%0.69978%0.779SS**  cis-153.6168.217.8-26.30000110.1
560N32.3Very low35.9Very low150 Ų150135.1 Ų135.180%0.80279%0.785SS**  trans-76.8137.6177.6-70.5-10.8000112.8
561T29.8Very low36.1Very low126 Ų126138.2 Ų138.277%0.77379%0.789SS**  -179.2144.79734.10000114.7
562L30.8Very low37.3Very low143 Ų143137.2 Ų137.275%0.74979%0.791SS**  trans55.8130.1148.6-85.769.3000124.3
563I32.6Very low37.5Very low149 Ų149136.6 Ų136.676%0.76479%0.791SS**  trans65.8104.1138-58.2176000120.4
564G29.3Very low37.4Very low80 Ų80134.7 Ų134.783%0.82579%0.786SS**  72.7140.610000000122
565G30.6Very low37.5Very low77 Ų77134.6 Ų134.679%0.79478%0.782SS**  trans132.9153.4158.900000116.2
566P48.8Very low37.4Very low126 Ų126135 Ų13582%0.81879%0.785SS**  trans-117.8179.5-172.843.2-33.6000116.7
567M38Very low37.2Very low164 Ų164128.5 Ų128.581%0.80878%0.781SS**  trans-18.5160.1151.3-57.9-75.1-8400117.2
568P48.9Very low37.2Very low113 Ų113128.9 Ų128.973%0.73478%0.783SS**  cis-154.6-177.734.145.6-24.1000120.2
569M41Very low37.7Very low167 Ų167131 Ų13182%0.82380%0.795SS**  trans8.2145.2144.8-68.6-93.6-78.400123
570S29.4Very low37.7Very low121 Ų121129.1 Ų129.185%0.84680%0.798SS**  -176.8162.4118.240.40000115.5
571M36.8Very low37.8Very low178 Ų178130.8 Ų130.888%0.87780%0.804SS**  trans-120160.4171.9-98.3-95.4-163.500108.7
572P52.2Low38.1Very low128 Ų128128.7 Ų128.783%0.83180%0.799SS**  -152.4179.2120.136.6-17.2000118.2
573N39.7Very low39.1Very low152 Ų152127.3 Ų127.381%0.81380%0.798SS**  trans-70.7-166179.9-97.7-14.9000115.1
574V41.7Very low39.3Very low121 Ų121128.6 Ų128.673%0.73381%0.806SS**  cis-169.6149.635.5-130.20000115.4
575V40.3Very low39.4Very low125 Ų125128 Ų12876%0.75880%0.8SS**  trans51.4137.7130.9165.70000121.2
576T33.4Very low39.5Very low139 Ų139132.1 Ų132.185%0.85380%0.804SS**  -175.6164.578.9-32.50000114.1
577G32.5Very low39.1Very low64 Ų64132.4 Ų132.466%0.6680%0.804SS**  trans-109.9-144.4166.900000113.1
578P51.7Low39.8Very low125 Ų125130.1 Ų130.181%0.81280%0.801SS**  cis-147.6-169.2-4.941-18.6000117.6
579M38.3Very low39.2Very low189 Ų189132.4 Ų132.493%0.93180%0.804SS**  trans96.1136.7137.9-157.6166.1-169.200124.5
580G34.1Very low39Very low74 Ų74131.7 Ų131.776%0.76380%0.8SS**  trans111155.3152.800000118.3
581M34.6Very low39.2Very low186 Ų186131.7 Ų131.792%0.91679%0.791SS**  -168.5144.1-66.9170.7163.7159.600108.8
582A36.1Very low39.1Very low81 Ų81130.5 Ų130.567%0.66978%0.783SS**  trans-96.7167.1-179.900000112.8
583P51.7Low38.1Very low114 Ų114129.2 Ų129.274%0.7478%0.777SS**  -160.7176.293.442.9-23.4000119.2
584L36.6Very low38Very low177 Ų177129.2 Ų129.293%0.92777%0.774SS**  trans64.6145.2147.2-106.173.8000123.3
585G31Very low37.9Very low68 Ų68131.7 Ų131.770%0.70178%0.78SS**  trans154.888.3154.900000119.9
586N33.5Very low37.8Very low163 Ų163129.2 Ų129.287%0.87278%0.779SS**  trans43.7137.9148.9-61.67.1000124.9
587T38.7Very low38.3Very low132 Ų132131.7 Ų131.781%0.8178%0.783SS**  trans-105.8170.614661.60000109.1
588P53.1Low38.6Very low116 Ų116136.1 Ų136.175%0.75379%0.792SS**  -162171.485.843.9-23.2000119.5
589M37.4Very low38.3Very low160 Ų160138 Ų13879%0.78879%0.792SS**  trans78.7145.5139.5-114.5-176.7163.800126.3
590M35.5Very low38.2Very low152 Ų152136 Ų13675%0.74979%0.785SS**  trans66.2151.5159.1-66.4-173.4178.900118.8
591N33.6Very low38.4Very low121 Ų121139.6 Ų139.665%0.64779%0.785SS**  cis-146.7127.8-5.2-139.124.8000108.6
592Q35.3Very low38.4Very low154 Ų154133.8 Ų133.872%0.7277%0.773SS**  72.2127.691.7-159.1-166.134.300117.7
593S31.8Very low38.6Very low101 Ų101138.2 Ų138.271%0.70678%0.782SS**  trans65.8162.8153.953.70000121.1
594M37Very low37.9Very low152 Ų152138 Ų13875%0.74978%0.783SS**  cis-177.1154.5-32.5-177.2163.670.700109
595M38.8Very low38Very low173 Ų173134.4 Ų134.485%0.85278%0.779SS**  trans65.8159.3173.8-75.8156.3-178.400116.1
596G38.5Very low38.5Very low72 Ų72136.3 Ų136.374%0.74279%0.789SS**  cis-160.2176.20.500000113.1
597M44.3Very low38.6Very low191 Ų191132.4 Ų132.494%0.94179%0.787SS**  trans-76.6159.7-177.5-60.5109.2145.600113.9
598N38.5Very low38.7Very low158 Ų158135.7 Ų135.785%0.84580%0.795SS**  trans-146.8147.7142.8-156.8-11.6000111.4
599M45.5Very low37.8Very low165 Ų165133.5 Ų133.581%0.81379%0.794SS**  trans-139.4130.6175.7-76.4-178.2169.900109.4
600N37.1Very low38.1Very low147 Ų147133.6 Ų133.679%0.78680%0.797SS**  trans-169.9140.8153.8-112.612.9000108
601I38.5Very low38.2Very low148 Ų148133.4 Ų133.476%0.75981%0.805SS**  cis108.5134.219.4-70.3169.9000113.2
602G33.8Very low38.3Very low65 Ų65130.4 Ų130.467%0.6780%0.802SS**  trans130.6106.5-175.400000109.6
603M40.8Very low38.4Very low173 Ų173130 Ų13085%0.85281%0.811SS**  cis57.4138.641.3-62-177.865.500113.1
604S37.5Very low38.7Very low109 Ų109133.9 Ų133.976%0.76282%0.82SS**  cis-112.9-152.28.5-620000110.7
605A38.8Very low38.6Very low102 Ų102130.2 Ų130.284%0.84382%0.82SS**  cis-154.3-157.97.900000112
606A40.6Very low38.6Very low109 Ų109131.3 Ų131.390%0.90183%0.826SS**  trans-150.2169.8-17100000112.3
607G35.8Very low38.2Very low81 Ų81131.6 Ų131.684%0.83583%0.829SS**  trans-176.1131.4171.600000113.8
608M41Very low38Very low200 Ų200131.4 Ų131.499%0.98583%0.828SS**  trans-159.6138.4-170.3-178.3175.7173.500110.3
609G33.8Very low39.1Very low71 Ų71128.4 Ų128.473%0.73282%0.817SS**  trans-172.8158.7-177.200000115.1
610L44.4Very low38.5Very low162 Ų162126.8 Ų126.885%0.84881%0.812SS**  trans-142.8-173.1-168.7-75.8169.9000112.4
611T36.4Very low38.5Very low148 Ų148126.8 Ų126.891%0.90881%0.81SS**  trans85.9149.817375.60000116.7
612G36.3Very low38.3Very low58 Ų58123.8 Ų123.860%0.59881%0.807SS**  cis162.5167.3-10.300000114.2
613T36.9Very low38.3Very low146 Ų146128.4 Ų128.490%0.89681%0.813SS**  trans72.8156.1166.572.70000119.1
614M38Very low37.9Very low182 Ų182126.9 Ų126.990%0.89781%0.814SS**  cis-175.3134.5-24.7173.5178.2-154.900113.2
615G35.4Very low37.7Very low74 Ų74127.3 Ų127.376%0.76382%0.817SS**  trans68.1175.1156.100000119.6
616M37.8Very low37.3Very low197 Ų197125.5 Ų125.597%0.9781%0.808SS**  cis-174.1132.5-21.5-175.777.2162.900109.1
617G31.3Very low37.2Very low78 Ų78127 Ų12780%0.80481%0.806SS**  trans159.9141.9169.400000119.4
618M39.8Very low37Very low187 Ų187130 Ų13092%0.92181%0.808SS**  trans-160.9-178.4177.6-132.2-152.5167.300107.8
619P61.4Low36.8Very low95 Ų95128.7 Ų128.762%0.61780%0.8SS**  cis-141.3-154.8-0.143.5-21.6000116
620N32Very low37.6Very low131 Ų131129.9 Ų129.970%0.70179%0.794SS**  trans84.4131.6168.7-67.70.4000118.6
621I38.3Very low37.1Very low147 Ų147131 Ų13175%0.75479%0.792SS**  cis83.913037.3-63166.6000111.1
622A33.4Very low37.3Very low84 Ų84132.8 Ų132.869%0.69479%0.79SS**  cis-154.1-173.829.800000111.6
623M34.4Very low37.4Very low162 Ų162136.3 Ų136.380%0.79880%0.796SS**  cis-174.3170-23.2-112.1178.6-179.800111.8
624T31.7Very low37.5Very low141 Ų141134.3 Ų134.387%0.86579%0.794SS**  trans65174.1167.5690000120.6
625S32.9Very low37.4Very low119 Ų119134.8 Ų134.883%0.83279%0.791SS**  178.6137.1-61.7-173.70000112.1
626G31.7Very low37.7Very low63 Ų63134.7 Ų134.765%0.64978%0.784SS**  trans85.7160.216700000117.3
627T37.6Very low37.7Very low140 Ų140132.1 Ų132.186%0.85977%0.774SS**  cis-167.6174.2-10.8-0.30000111
628V32.9Very low38.1Very low145 Ų145138.6 Ų138.688%0.87978%0.78SS**  trans92148.6163.1-165.90000118.8
629Q35.6Very low38.2Very low173 Ų173133.6 Ų133.681%0.80877%0.769SS**  trans-140.7-169.3-174.7-125.4-162.32700108
630P51.2Low37.1Very low95 Ų95136.2 Ų136.262%0.61778%0.777SS**  cis-139.1-173.2-0.942-21.6000116.8
631K34.9Very low38Very low185 Ų185140.2 Ų140.280%0.80479%0.789SS**  trans43.7133.4146.2-79.8-172.4173.2-169.90123.3
632Q38.7Very low38.2Very low186 Ų186138.5 Ų138.587%0.86979%0.79SS**  -170.8169.497-105.7-168-0.800114.3
633D38.5Very low39Very low133 Ų133147.7 Ų147.771%0.71181%0.814SS**  trans-86.7167-169.8-55.2-103.4000115.5
634A39.4Very low39.2Very low104 Ų104147 Ų14786%0.8682%0.815SS**  trans-140.8122.5164.900000111.3
635F35.3Very low39.6Very low191 Ų191147.3 Ų147.384%0.83881%0.812SS**  trans-113.3128.1-172-113.4-96.4000113.1
636A42.3Very low40Very low73 Ų73148.8 Ų148.860%0.60381%0.811SS**  trans56155.2139.500000123.6
637N37.4Very low40.4Very low143 Ų143153.9 Ų153.977%0.76582%0.821SS**  trans69.5118.9162.7-61.2-52.4000119
638F41.1Very low40.6Very low214 Ų214154.8 Ų154.894%0.93982%0.818SS**  -154.615498.6-104.5-73.9000110.6
639A40.3Very low41.1Very low82 Ų82155.4 Ų155.468%0.67881%0.814SS**  trans-138.6171.3-179.800000110.8
640N39.9Very low41.5Very low149 Ų149154.1 Ų154.180%0.79782%0.815SS**  trans68.9121.6-171-66.2-60000115.9
641F50.1Low40.8Very low215 Ų215158.7 Ų158.794%0.94383%0.83SS**  -145.4143.2112.4-104.9-73000109.7
642S43Very low41.3Very low112 Ų112156.5 Ų156.578%0.78383%0.832SS**  trans-144.2140.9175-179.60000108.3
643K49.2Very low41.5Very low276 Ų276153.8 Ų153.8100%1.283%0.829SS**  trans-164.60171.5-120.8179.8-178-178.60110.9

Retrieved 643 of 643 residues in 1751.1 ms (Link to these results)

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