A0A077ZBY5_TRITR Loading...

ERK-JNK inhib domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBY5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M59.2Low70.4Confident206 Ų206122.1 Ų122.1100%1.01562%0.624SS**  0-450-128.7-168.6-7700113.1
2L57.4Low70.3Confident155 Ų155122.7 Ų122.781%0.81262%0.622SS**Hα-helixtrans-72.7-30.4177.7-108.281.1000115.2D4 V5L2-D4 VanDerWaalsContact C-N 3.32Å; L2-D4 PolarHBondContact O-N 3.28Å; L2-V5 PolarHBondContact O-N 2.73Å
3Q64Low70.5Confident160 Ų160124.5 Ų124.575%0.74862%0.618SS**Hα-helixtrans-69.9-25.6-178.6-73.5179.1-30.800113.9T6 S7Q3-T6 PolarHBondContact O-OG1 2.9Å; Q3-S7 PolarHBondContact O-N 3.43Å; Q3-S7 PolarHBondContact O-OG 3.19Å
4D68.3Low70.9Confident104 Ų104129.1 Ų129.156%0.55663%0.625SS**Hα-helixtrans-72.4-35.3178.3-59.1-48000111.2L2 S7 L8L2-D4 VanDerWaalsContact C-N 3.32Å; L2-D4 PolarHBondContact O-N 3.28Å; D4-S7 PolarHBondContact O-N 3.41Å; D4-L8 WeakPolarHBondContact O-CG 3.5Å; D4-L8 PolarHBondContact O-N 3.3Å; D4-L8 VanDerWaalsContact O-N 3.11Å
5V67.5Low70.7Confident84 Ų84127 Ų12751%0.50962%0.617SS.*Hα-helixtrans-68.9-40.9-178.9-173.10000111.1L2 S7 L8 I9L2-V5 PolarHBondContact O-N 2.73Å; V5-S7 VanDerWaalsContact C-N 3.31Å; V5-S7 PolarHBondContact O-N 2.83Å; V5-L8 PolarHBondContact O-N 2.67Å; V5-I9 HydrophobicContact CG1-CD1 4.02Å; V5-I9 VanDerWaalsContact O-CG1 3.28Å; V5-I9 WeakPolarHBondContact O-CG1 3.48Å; V5-I9 PolarHBondContact O-N 3.01Å
6T73.3Confident70.3Confident74 Ų74126.3 Ų126.345%0.45462%0.616SS.*Hα-helixtrans-65.2-38177.153.90000111.5Q3 L8 I9 W10Q3-T6 PolarHBondContact O-OG1 2.9Å; T6-L8 PolarHBondContact O-N 3.13Å; T6-I9 PolarHBondContact O-N 3.04Å; T6-W10 PolarHBondContact O-N 3.25Å
7S75.6Confident69.6Low66 Ų66124.6 Ų124.646%0.46261%0.611SS.*Hα-helixtrans-66.2-37.9178.6-56.80000112Q3 D4 V5 W10 L11Q3-S7 PolarHBondContact O-N 3.43Å; Q3-S7 PolarHBondContact O-OG 3.19Å; D4-S7 PolarHBondContact O-N 3.41Å; V5-S7 VanDerWaalsContact C-N 3.31Å; V5-S7 PolarHBondContact O-N 2.83Å; S7-W10 PolarHBondContact O-N 3.05Å; S7-L11 WeakPolarHBondContact O-CB 3.29Å; S7-L11 PolarHBondContact O-N 3.36Å
8L77.4Confident69.2Low99 Ų99121 Ų12152%0.51860%0.6SS.*Hα-helixtrans-68.2-38.4173.5-71170.9000112.3D4 V5 T6 W10 L11 H12D4-L8 WeakPolarHBondContact O-CG 3.5Å; D4-L8 PolarHBondContact O-N 3.3Å; D4-L8 VanDerWaalsContact O-N 3.11Å; V5-L8 PolarHBondContact O-N 2.67Å; T6-L8 PolarHBondContact O-N 3.13Å; L8-W10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 3.12Å; L8-H12 WeakPolarHBondContact O-CB 3.39Å; L8-H12 PolarHBondContact O-CD2 3.25Å; L8-H12 PolarHBondContact O-N 2.83Å
9I76.8Confident68.7Low104 Ų104119.9 Ų119.953%0.53360%0.6SS.*Hα-helixtrans-63.8-41.7174.5-66.6164.6000110.5V5 T6 H12 Y13V5-I9 HydrophobicContact CG1-CD1 4.02Å; V5-I9 VanDerWaalsContact O-CG1 3.28Å; V5-I9 WeakPolarHBondContact O-CG1 3.48Å; V5-I9 PolarHBondContact O-N 3.01Å; T6-I9 PolarHBondContact O-N 3.04Å; I9-H12 PolarHBondContact O-N 3.31Å; I9-Y13 VanDerWaalsContact O-CB 3.31Å; I9-Y13 WeakPolarHBondContact O-CB 3.42Å; I9-Y13 PolarHBondContact O-N 3.15Å
10W81.9Confident68.1Low185 Ų185121.1 Ų121.170%0.70161%0.608SS**Hα-helixtrans-65.8-41.2175.2-81107.5000112.5T6 S7 L8 Y13 W14T6-W10 PolarHBondContact O-N 3.25Å; S7-W10 PolarHBondContact O-N 3.05Å; L8-W10 VanDerWaalsContact C-N 3.34Å; W10-Y13 PolarHBondContact O-N 3.37Å; W10-W14 VanDerWaalsContact O-CB 3.24Å; W10-W14 WeakPolarHBondContact O-CB 3.41Å; W10-W14 PolarHBondContact O-N 2.99Å
11L73.5Confident67.5Low106 Ų106119 Ų11956%0.55561%0.61SS**Hα-helixtrans-62.4-43.3173.7-93.7158.9000111.6S7 L8 W14 L15S7-L11 WeakPolarHBondContact O-CB 3.29Å; S7-L11 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 3.12Å; L11-W14 PolarHBondContact O-N 3.03Å; L11-L15 VanDerWaalsContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CB 3.24Å; L11-L15 PolarHBondContact O-N 3.32Å
12H69Low67.1Low129 Ų129111.2 Ų111.260%0.59758%0.582SS**Hα-helixtrans-67.9-38.3175.9-76.1-52.7000112.5L8 I9 W14 L15 L16L8-H12 WeakPolarHBondContact O-CB 3.39Å; L8-H12 PolarHBondContact O-CD2 3.25Å; L8-H12 PolarHBondContact O-N 2.83Å; I9-H12 PolarHBondContact O-N 3.31Å; H12-W14 VanDerWaalsContact C-N 3.34Å; H12-L15 PolarHBondContact O-N 3.4Å; H12-L16 WeakPolarHBondContact O-CB 3.45Å; H12-L16 PolarHBondContact O-N 3.09Å
13Y73.2Confident67.2Low146 Ų146111 Ų11157%0.57358%0.582SS**Hα-helixtrans-67.6-37.8176-157.2-101.6000111.2I9 W10 L16 L17I9-Y13 VanDerWaalsContact O-CB 3.31Å; I9-Y13 WeakPolarHBondContact O-CB 3.42Å; I9-Y13 PolarHBondContact O-N 3.15Å; W10-Y13 PolarHBondContact O-N 3.37Å; Y13-L16 PolarHBondContact O-N 3.42Å; Y13-L17 HydrophobicContact CD1-CD1 3.4Å; Y13-L17 VanDerWaalsContact CD1-CD1 3.4Å; Y13-L17 HydrophobicContact CE1-CD1 3.25Å; Y13-L17 HydrophobicContact CG-CD1 4.34Å; Y13-L17 WeakPolarHBondContact O-CB 3.4Å; Y13-L17 WeakPolarHBondContact O-CD1 3.48Å; Y13-L17 PolarHBondContact O-N 2.98Å
14W75.1Confident66.9Low189 Ų189112.4 Ų112.472%0.71659%0.589SS**Hα-helixtrans-69.9-38.2174.7-159.579.6000112.2W10 L11 H12 L17 S18W10-W14 VanDerWaalsContact O-CB 3.24Å; W10-W14 WeakPolarHBondContact O-CB 3.41Å; W10-W14 PolarHBondContact O-N 2.99Å; L11-W14 PolarHBondContact O-N 3.03Å; H12-W14 VanDerWaalsContact C-N 3.34Å; W14-L17 PolarHBondContact O-N 3.4Å; W14-S18 WeakPolarHBondContact O-CB 3.35Å; W14-S18 PolarHBondContact O-N 3.4Å; W14-S18 PolarHBondContact O-OG 3.36Å
15L67.9Low67.1Low98 Ų98111.6 Ų111.651%0.51359%0.587SS.*Hα-helixtrans-68.6-35.9173.4-150.594.8000111.7L11 H12 S18 V19L11-L15 VanDerWaalsContact O-CB 3.26Å; L11-L15 WeakPolarHBondContact O-CB 3.24Å; L11-L15 PolarHBondContact O-N 3.32Å; H12-L15 PolarHBondContact O-N 3.4Å; L15-S18 WeakPolarHBondContact CA-OG 3.38Å; L15-S18 PolarHBondContact O-OG 3.34Å; L15-V19 WeakPolarHBondContact O-CB 3.37Å; L15-V19 WeakPolarHBondContact O-CG2 3.4Å; L15-V19 PolarHBondContact O-N 2.75Å
16L64.7Low68Low115 Ų115109.9 Ų109.960%0.60258%0.579SS**Hα-helixtrans-71.2-39.9175.7-159.283.6000110.5H12 Y13 V19 N20H12-L16 WeakPolarHBondContact O-CB 3.45Å; H12-L16 PolarHBondContact O-N 3.09Å; Y13-L16 PolarHBondContact O-N 3.42Å; L16-V19 PolarHBondContact O-N 3.12Å; L16-N20 WeakPolarHBondContact O-CB 2.92Å; L16-N20 PolarHBondContact O-N 2.69Å
17L58.1Low68.7Low99 Ų99111.1 Ų111.152%0.51859%0.588SS.*Hα-helixtrans-65.5-37.8172.6-105.5120.1000112.2Y13 W14 A21Y13-L17 HydrophobicContact CD1-CD1 3.4Å; Y13-L17 VanDerWaalsContact CD1-CD1 3.4Å; Y13-L17 HydrophobicContact CE1-CD1 3.25Å; Y13-L17 HydrophobicContact CG-CD1 4.34Å; Y13-L17 WeakPolarHBondContact O-CB 3.4Å; Y13-L17 WeakPolarHBondContact O-CD1 3.48Å; Y13-L17 PolarHBondContact O-N 2.98Å; W14-L17 PolarHBondContact O-N 3.4Å; L17-A21 VanDerWaalsContact O-CB 3.24Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.3Å
18S62.8Low69.3Low59 Ų59111.5 Ų111.541%0.41358%0.583SS.*Hα-helixtrans-72.3-3417767.80000112.5W14 L15 G22W14-S18 WeakPolarHBondContact O-CB 3.35Å; W14-S18 PolarHBondContact O-N 3.4Å; W14-S18 PolarHBondContact O-OG 3.36Å; L15-S18 WeakPolarHBondContact CA-OG 3.38Å; L15-S18 PolarHBondContact O-OG 3.34Å; S18-G22 PolarHBondContact O-N 3.34Å
19V59.8Low69.8Low101 Ų101108.5 Ų108.561%0.61257%0.57SS**Hα-helixtrans-71-38.8173.4168.50000111.7L15 L16 G22L15-V19 WeakPolarHBondContact O-CB 3.37Å; L15-V19 WeakPolarHBondContact O-CG2 3.4Å; L15-V19 PolarHBondContact O-N 2.75Å; L16-V19 PolarHBondContact O-N 3.12Å; V19-G22 WeakPolarHBondContact O-CA 3.16Å; V19-G22 PolarHBondContact O-N 3.02Å
20N55.7Low70.6Confident142 Ų142106.7 Ų106.776%0.75956%0.564SS**Hα-helixtrans-80.6-18178-118.229.9000113.9L16L16-N20 WeakPolarHBondContact O-CB 2.92Å; L16-N20 PolarHBondContact O-N 2.69Å
21A57Low71.2Confident78 Ų78101.5 Ų101.565%0.64554%0.544SS*.THydrogen-bonded Turntrans-78.2-3.7163.200000111.9L17 D23L17-A21 VanDerWaalsContact O-CB 3.24Å; L17-A21 WeakPolarHBondContact O-CB 3.34Å; L17-A21 PolarHBondContact O-N 3.3Å; A21-D23 PolarHBondContact O-N 2.9Å
22G50.7Low72.3Confident42 Ų4298.3 Ų98.343%0.43353%0.527SS..THydrogen-bonded Turntrans-62.6113.1167.800000109.9S18 V19S18-G22 PolarHBondContact O-N 3.34Å; V19-G22 WeakPolarHBondContact O-CA 3.16Å; V19-G22 PolarHBondContact O-N 3.02Å
23D59.4Low73.5Confident151 Ų15197.4 Ų97.481%0.80752%0.524SS*.THydrogen-bonded Turntrans63.850.7162.6-55.6-21.7000116.7A21 V25A21-D23 PolarHBondContact O-N 2.9Å; D23-V25 PolarHBondContact O-N 3.24Å
24E57.6Low74.5Confident189 Ų18993.7 Ų93.788%0.88352%0.519SS*.  trans-61.895.4143.7-89.6-166.9172.500107.2S26E24-S26 PolarHBondContact O-N 2.98Å
25V72.7Confident75.5Confident87 Ų8785.2 Ų85.253%0.52749%0.487SS..  trans-49.9110174.7-177.70000107.3D23 S29 V30D23-V25 PolarHBondContact O-N 3.24Å; V25-S29 VanDerWaalsContact CG1-OG 3.24Å; V25-S29 WeakPolarHBondContact CG1-OG 3.37Å; V25-V30 HydrophobicContact CG1-CG2 3.49Å; V25-V30 VanDerWaalsContact CG1-CG2 3.49Å
26S85.9Confident76.9Confident49 Ų4983 Ų8334%0.34348%0.475SS..  trans-65.8145.2-173.388.90000108.9E24 E28 S29 V30E24-S26 PolarHBondContact O-N 2.98Å; S26-E28 PolarHBondContact O-N 3.2Å; S26-E28 WeakPolarHBondContact OG-CB 3.45Å; S26-E28 PolarHBondContact OG-N 3.34Å; S26-S29 PolarHBondContact N-OG 3.14Å; S26-S29 PolarHBondContact O-N 3.28Å; S26-S29 PolarHBondContact O-OG 3.16Å; S26-S29 PolarHBondContact OG-N 3.47Å; S26-S29 VanDerWaalsContact OG-N 3.14Å; S26-V30 PolarHBondContact O-N 2.9Å
27P87.7Confident78.4Confident99 Ų9982.7 Ų82.764%0.64347%0.473SS*.Hα-helixtrans-55.7-23.8176.5-27.134.8000113.1R31P27-R31 WeakPolarHBondContact O-CG 3.14Å; P27-R31 PolarHBondContact O-N 3.2Å; P27-R31 PolarHBondContact O-NH1 2.84Å
28E88.2Confident80.2Confident74 Ų7481.4 Ų81.435%0.34647%0.469SS..Hα-helixtrans-70.7-47.5174.1179.4-169.116500112.7S26 V30 R31 L32 A94 F95S26-E28 PolarHBondContact O-N 3.2Å; S26-E28 WeakPolarHBondContact OG-CB 3.45Å; S26-E28 PolarHBondContact OG-N 3.34Å; E28-V30 VanDerWaalsContact C-N 3.25Å; E28-V30 PolarHBondContact O-N 2.94Å; E28-R31 PolarHBondContact O-N 3.47Å; E28-R31 VanDerWaalsContact O-N 3.08Å; E28-L32 PolarHBondContact O-N 2.88Å; E28-A94 HydrophobicContact CG-CB 3.95Å; E28-A94 WeakPolarHBondContact OE1-CA 3.42Å; E28-A94 WeakPolarHBondContact OE1-CB 3.44Å; E28-A94 VanDerWaalsContact OE2-CB 3.22Å; E28-A94 WeakPolarHBondContact OE2-CB 3.27Å; E28-F95 HydrophobicContact CG-CB 4.42Å; E28-F95 PolarHBondContact OE1-N 3.43Å
29S89.3Confident81.8Confident37 Ų3778.6 Ų78.626%0.25945%0.45SS..Hα-helixtrans-61.5-38.6179.7680000110.8V25 S26 R31 L32 E33V25-S29 VanDerWaalsContact CG1-OG 3.24Å; V25-S29 WeakPolarHBondContact CG1-OG 3.37Å; S26-S29 PolarHBondContact N-OG 3.14Å; S26-S29 PolarHBondContact O-N 3.28Å; S26-S29 PolarHBondContact O-OG 3.16Å; S26-S29 PolarHBondContact OG-N 3.47Å; S26-S29 VanDerWaalsContact OG-N 3.14Å; S29-R31 VanDerWaalsContact C-N 3.35Å; S29-R31 PolarHBondContact O-N 3.15Å; S29-L32 PolarHBondContact O-N 3.41Å; S29-E33 WeakPolarHBondContact O-CB 3.12Å; S29-E33 VanDerWaalsContact O-CG 3.26Å; S29-E33 WeakPolarHBondContact O-CG 3.18Å; S29-E33 PolarHBondContact O-N 3.36Å
30V93.1Very high83.5Confident66 Ų6679.1 Ų79.140%0.444%0.444SS..Hα-helixtrans-59.8-42.4174-179.10000112.3V25 S26 E28 S34V25-V30 HydrophobicContact CG1-CG2 3.49Å; V25-V30 VanDerWaalsContact CG1-CG2 3.49Å; S26-V30 PolarHBondContact O-N 2.9Å; E28-V30 VanDerWaalsContact C-N 3.25Å; E28-V30 PolarHBondContact O-N 2.94Å; V30-S34 WeakPolarHBondContact O-CB 3.44Å; V30-S34 PolarHBondContact O-N 3.49Å; V30-S34 PolarHBondContact O-OG 3.21Å
31R94.5Very high85.5Confident76 Ų7677.5 Ų77.529%0.28743%0.431SS..Hα-helixtrans-67.3-44.9178.8-73.3-168.8-50-79.83.1111.3P27 E28 S29 S34 Y35 F95 P96P27-R31 WeakPolarHBondContact O-CG 3.14Å; P27-R31 PolarHBondContact O-N 3.2Å; P27-R31 PolarHBondContact O-NH1 2.84Å; E28-R31 PolarHBondContact O-N 3.47Å; E28-R31 VanDerWaalsContact O-N 3.08Å; S29-R31 VanDerWaalsContact C-N 3.35Å; S29-R31 PolarHBondContact O-N 3.15Å; R31-S34 PolarHBondContact O-N 2.97Å; R31-Y35 PolarHBondContact O-N 3.07Å; R31-F95 HydrophobicContact CB-CD1 3.97Å; R31-F95 PolarHBondContact NE-O 3.12Å; R31-F95 PolarHBondContact NH2-O 2.82Å; R31-P96 PolarHBondContact NE-O 3.17Å
32L95.4Very high87.3Confident38 Ų3877.2 Ų77.220%0.19942%0.416CS..Hα-helixtrans-62.1-45.5177.6178.659.1000111E28 S29 S34 Y35 L36 F95 F151E28-L32 PolarHBondContact O-N 2.88Å; S29-L32 PolarHBondContact O-N 3.41Å; L32-S34 VanDerWaalsContact C-N 3.35Å; L32-S34 PolarHBondContact O-N 3.18Å; L32-Y35 HydrophobicContact CD1-CD1 4.21Å; L32-Y35 WeakPolarHBondContact O-CB 2.85Å; L32-Y35 PolarHBondContact O-N 3.46Å; L32-L36 HydrophobicContact CD1-CD1 4.33Å; L32-L36 HydrophobicContact CD1-CG 4.2Å; L32-L36 HydrophobicContact CG-CD1 4.11Å; L32-L36 HydrophobicContact CG-CG 4.42Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.28Å; L32-L36 PolarHBondContact O-N 3.31Å; L32-F95 HydrophobicContact CB-CB 4.02Å; L32-F95 HydrophobicContact CB-CG 4.18Å; L32-F95 HydrophobicContact CD1-CB 4.34Å; L32-F95 HydrophobicContact CD1-CD2 3.65Å; L32-F95 HydrophobicContact CD1-CE2 4.2Å; L32-F95 HydrophobicContact CD1-CG 4.08Å; L32-F151 HydrophobicContact CD1-CB 4.2Å; L32-F151 HydrophobicContact CD1-CD1 3.62Å; L32-F151 HydrophobicContact CD1-CE1 4.28Å; L32-F151 HydrophobicContact CD1-CG 4.08Å; L32-F151 HydrophobicContact CD2-CD1 4.16Å; L32-F151 HydrophobicContact CD2-CE1 4.42Å
33E94.9Very high89.5Confident111 Ų11175.9 Ų75.952%0.51940%0.398SS..Hα-helixtrans-59.3-44.7175.9-76.2172.9-167.800112S29 Y35 L36 I37S29-E33 WeakPolarHBondContact O-CB 3.12Å; S29-E33 VanDerWaalsContact O-CG 3.26Å; S29-E33 WeakPolarHBondContact O-CG 3.18Å; S29-E33 PolarHBondContact O-N 3.36Å; E33-Y35 VanDerWaalsContact C-N 3.31Å; E33-Y35 PolarHBondContact O-N 3.48Å; E33-L36 PolarHBondContact O-N 3.26Å; E33-I37 WeakPolarHBondContact O-CG1 3.49Å; E33-I37 PolarHBondContact O-N 2.62Å
34S94.7Very high91.3Very high67 Ų6774.8 Ų74.847%0.46939%0.386SS..Hα-helixtrans-61.4-41.3176.8-60.10000111.8V30 R31 L32 T38V30-S34 WeakPolarHBondContact O-CB 3.44Å; V30-S34 PolarHBondContact O-N 3.49Å; V30-S34 PolarHBondContact O-OG 3.21Å; R31-S34 PolarHBondContact O-N 2.97Å; L32-S34 VanDerWaalsContact C-N 3.35Å; L32-S34 PolarHBondContact O-N 3.18Å; S34-T38 PolarHBondContact O-N 3.45Å; S34-T38 PolarHBondContact O-OG1 3.45Å
35Y96.1Very high93.1Very high12 Ų1271 Ų715%0.04737%0.368CS..Hα-helixtrans-62.6-48.1173.1164.5-101.9000111.4R31 L32 E33 I37 T38 F39 F95 S106 L109R31-Y35 PolarHBondContact O-N 3.07Å; L32-Y35 HydrophobicContact CD1-CD1 4.21Å; L32-Y35 WeakPolarHBondContact O-CB 2.85Å; L32-Y35 PolarHBondContact O-N 3.46Å; E33-Y35 VanDerWaalsContact C-N 3.31Å; E33-Y35 PolarHBondContact O-N 3.48Å; Y35-I37 VanDerWaalsContact C-N 3.27Å; Y35-I37 PolarHBondContact O-N 3.33Å; Y35-T38 WeakPolarHBondContact O-CB 3.36Å; Y35-T38 PolarHBondContact O-N 2.76Å; Y35-F39 HydrophobicContact CE1-CB 4.16Å; Y35-F39 HydrophobicContact CE1-CG 4.4Å; Y35-F39 HydrophobicContact CE2-CB 4.18Å; Y35-F39 AromaticContact CZ-CD2 3.89Å; Y35-F39 WeakPolarHBondContact O-CB 3.48Å; Y35-F39 PolarHBondContact O-N 2.96Å; Y35-F39 WeakPolarHBondContact OH-CD2 3.44Å; Y35-F95 VanDerWaalsContact CB-CZ 3.46Å; Y35-F95 AromaticContact CD1-CE2 3.67Å; Y35-F95 HydrophobicContact CD1-CE2 3.67Å; Y35-F95 AromaticContact CD1-CZ 3.88Å; Y35-F95 HydrophobicContact CD1-CZ 3.88Å; Y35-F95 HydrophobicContact CD2-CE2 4.35Å; Y35-F95 AromaticContact CD2-CZ 3.88Å; Y35-F95 HydrophobicContact CD2-CZ 3.88Å; Y35-F95 HydrophobicContact CE1-CE2 4.24Å; Y35-F95 HydrophobicContact CG-CE1 4.33Å; Y35-F95 AromaticContact CG-CE2 3.74Å; Y35-F95 HydrophobicContact CG-CE2 3.74Å; Y35-F95 AromaticContact CG-CZ 3.42Å; Y35-F95 HydrophobicContact CG-CZ 3.42Å; Y35-F95 VanDerWaalsContact CG-CZ 3.42Å; Y35-S106 WeakPolarHBondContact CD2-OG 3.43Å; Y35-S106 VanDerWaalsContact CE2-OG 3.26Å; Y35-S106 WeakPolarHBondContact CE2-OG 3.36Å; Y35-L109 HydrophobicContact CE1-CD1 3.79Å; Y35-L109 WeakPolarHBondContact OH-CB 3.24Å; Y35-L109 WeakPolarHBondContact OH-CD1 3.35Å
36L96.3Very high94.2Very high52 Ų5268 Ų6827%0.27235%0.348SS..Hα-helixtrans-61-34.6-178.1-73.2173.9000112.6L32 E33 K40 F151L32-L36 HydrophobicContact CD1-CD1 4.33Å; L32-L36 HydrophobicContact CD1-CG 4.2Å; L32-L36 HydrophobicContact CG-CD1 4.11Å; L32-L36 HydrophobicContact CG-CG 4.42Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.28Å; L32-L36 PolarHBondContact O-N 3.31Å; E33-L36 PolarHBondContact O-N 3.26Å; L36-K40 VanDerWaalsContact O-CB 3.3Å; L36-K40 WeakPolarHBondContact O-CB 3.42Å; L36-K40 PolarHBondContact O-N 3.37Å; L36-F151 WeakPolarHBondContact CD2-O 3.29Å
37I96.2Very high94.7Very high108 Ų10871.1 Ų71.155%0.55436%0.355SS*.Hα-helixtrans-60.9-51.1172.4-68.4165.9000110.3E33 Y35 K40 E41E33-I37 WeakPolarHBondContact O-CG1 3.49Å; E33-I37 PolarHBondContact O-N 2.62Å; Y35-I37 VanDerWaalsContact C-N 3.27Å; Y35-I37 PolarHBondContact O-N 3.33Å; I37-K40 PolarHBondContact O-N 3.06Å; I37-E41 PolarHBondContact O-N 3.15Å
38T95.9Very high95Very high71 Ų7169.8 Ų69.844%0.43635%0.346SS..Hα-helixtrans-63.4-44.3-179.9-54.20000111.3S34 Y35 K40 E41 K42S34-T38 PolarHBondContact O-N 3.45Å; S34-T38 PolarHBondContact O-OG1 3.45Å; Y35-T38 WeakPolarHBondContact O-CB 3.36Å; Y35-T38 PolarHBondContact O-N 2.76Å; T38-K40 VanDerWaalsContact C-N 3.32Å; T38-K40 PolarHBondContact O-N 3.33Å; T38-E41 WeakPolarHBondContact O-CB 3.37Å; T38-E41 PolarHBondContact O-N 3.43Å; T38-E41 VanDerWaalsContact O-N 3.16Å; T38-K42 PolarHBondContact O-N 3.25Å
39F97.1Very high95.3Very high1 Ų170.1 Ų70.10%0.00435%0.348CS..Hα-helixtrans-56.8-46.9176.1179.1-105000110.9Y35 E41 K42 R43 L109 E110 A113 Y152 T156Y35-F39 HydrophobicContact CE1-CB 4.16Å; Y35-F39 HydrophobicContact CE1-CG 4.4Å; Y35-F39 HydrophobicContact CE2-CB 4.18Å; Y35-F39 AromaticContact CZ-CD2 3.89Å; Y35-F39 WeakPolarHBondContact O-CB 3.48Å; Y35-F39 PolarHBondContact O-N 2.96Å; Y35-F39 WeakPolarHBondContact OH-CD2 3.44Å; F39-E41 VanDerWaalsContact C-N 3.28Å; F39-E41 PolarHBondContact O-N 3.41Å; F39-K42 WeakPolarHBondContact O-CB 3.23Å; F39-K42 PolarHBondContact O-N 2.92Å; F39-K42 VanDerWaalsContact O-N 3.08Å; F39-R43 HydrophobicContact CD1-CG 3.99Å; F39-R43 HydrophobicContact CD2-CG 4.48Å; F39-R43 HydrophobicContact CE1-CG 3.62Å; F39-R43 HydrophobicContact CE2-CG 4.17Å; F39-R43 HydrophobicContact CG-CG 4.41Å; F39-R43 HydrophobicContact CZ-CG 3.72Å; F39-R43 VanDerWaalsContact O-CG 3.3Å; F39-R43 WeakPolarHBondContact O-CG 3.24Å; F39-R43 PolarHBondContact O-N 3.2Å; F39-L109 HydrophobicContact CE2-CB 4.23Å; F39-E110 HydrophobicContact CD2-CG 3.76Å; F39-E110 HydrophobicContact CE2-CG 3.94Å; F39-A113 HydrophobicContact CZ-CB 4.14Å; F39-Y152 AromaticContact CE1-CD1 3.98Å; F39-Y152 HydrophobicContact CE1-CD1 3.98Å; F39-Y152 HydrophobicContact CE1-CE1 4.45Å; F39-Y152 HydrophobicContact CE2-CD1 4.37Å; F39-Y152 HydrophobicContact CE2-CE1 4.12Å; F39-Y152 AromaticContact CZ-CD1 3.61Å; F39-Y152 HydrophobicContact CZ-CD1 3.61Å; F39-Y152 AromaticContact CZ-CE1 3.64Å; F39-Y152 HydrophobicContact CZ-CE1 3.64Å; F39-T156 HydrophobicContact CE1-CG2 4.34Å; F39-T156 HydrophobicContact CZ-CG2 4.13Å
40K96.4Very high95.6Very high112 Ų11268.7 Ų68.749%0.48734%0.337SS..Hα-helixtrans-60.5-37178.4-171.2173.9-173.8171.60112.4L36 I37 T38 R43 K44L36-K40 VanDerWaalsContact O-CB 3.3Å; L36-K40 WeakPolarHBondContact O-CB 3.42Å; L36-K40 PolarHBondContact O-N 3.37Å; I37-K40 PolarHBondContact O-N 3.06Å; T38-K40 VanDerWaalsContact C-N 3.32Å; T38-K40 PolarHBondContact O-N 3.33Å; K40-R43 PolarHBondContact O-N 2.78Å; K40-K44 WeakPolarHBondContact O-CG 3.49Å; K40-K44 PolarHBondContact O-N 3.36Å; K40-K44 VanDerWaalsContact O-N 3.12Å
41E96.3Very high95.6Very high107 Ų10771.1 Ų71.150%0.534%0.343SS..Hα-helixtrans-64.6-44.7173.1-67.4-176.9162.300111.8I37 T38 F39 R43 K44 E45I37-E41 PolarHBondContact O-N 3.15Å; T38-E41 WeakPolarHBondContact O-CB 3.37Å; T38-E41 PolarHBondContact O-N 3.43Å; T38-E41 VanDerWaalsContact O-N 3.16Å; F39-E41 VanDerWaalsContact C-N 3.28Å; F39-E41 PolarHBondContact O-N 3.41Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 3.17Å; E41-K44 WeakPolarHBondContact O-CB 3.29Å; E41-K44 PolarHBondContact O-N 3.4Å; E41-E45 PolarHBondContact O-N 3.15Å; E41-E45 VanDerWaalsContact O-N 3.09Å
42K96Very high95.6Very high73 Ų7375.3 Ų75.332%0.31736%0.359SS..Hα-helixtrans-60.6-39.5174.3-67.9-58.4179.5-162.70113.1T38 F39 K44 E45 Q46 E110T38-K42 PolarHBondContact O-N 3.25Å; F39-K42 WeakPolarHBondContact O-CB 3.23Å; F39-K42 PolarHBondContact O-N 2.92Å; F39-K42 VanDerWaalsContact O-N 3.08Å; K42-K44 VanDerWaalsContact C-N 3.3Å; K42-K44 PolarHBondContact O-N 2.97Å; K42-E45 WeakPolarHBondContact CD-OE2 3.12Å; K42-E45 IonicContact NZ-OE1 2.9Å; K42-E45 PolarHBondContact NZ-OE1 3.06Å; K42-E45 IonicContact NZ-OE2 3.28Å; K42-E45 PolarHBondContact NZ-OE2 2.99Å; K42-E45 WeakPolarHBondContact O-CB 3.47Å; K42-E45 PolarHBondContact O-N 2.78Å; K42-Q46 WeakPolarHBondContact O-CG 3.47Å; K42-Q46 PolarHBondContact O-N 3.04Å; K42-E110 HydrophobicContact CB-CG 4.44Å
43R96.8Very high95.6Very high14 Ų1473.7 Ų73.75%0.05335%0.35CS..Hα-helixtrans-64.1-34.5174.5-63-61.6-70.6128.77.2112F39 K40 E41 Q46 K47 E117F39-R43 HydrophobicContact CD1-CG 3.99Å; F39-R43 HydrophobicContact CD2-CG 4.48Å; F39-R43 HydrophobicContact CE1-CG 3.62Å; F39-R43 HydrophobicContact CE2-CG 4.17Å; F39-R43 HydrophobicContact CG-CG 4.41Å; F39-R43 HydrophobicContact CZ-CG 3.72Å; F39-R43 VanDerWaalsContact O-CG 3.3Å; F39-R43 WeakPolarHBondContact O-CG 3.24Å; F39-R43 PolarHBondContact O-N 3.2Å; K40-R43 PolarHBondContact O-N 2.78Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 3.17Å; R43-Q46 PolarHBondContact O-N 2.96Å; R43-K47 WeakPolarHBondContact O-CB 3.49Å; R43-K47 WeakPolarHBondContact O-CG 3.19Å; R43-K47 PolarHBondContact O-N 3.09Å; R43-E117 IonicContact CZ-OE1 2.99Å; R43-E117 IonicContact NH2-OE1 3.3Å; R43-E117 PolarHBondContact NH2-OE1 3.41Å
44K96.2Very high95.5Very high127 Ų12768.6 Ų68.655%0.55233%0.326SS*.Hα-helixtrans-64.6-45.9172.7-68.1171-174.2174.30111.7K40 E41 K42 Q46 K47 V48K40-K44 WeakPolarHBondContact O-CG 3.49Å; K40-K44 PolarHBondContact O-N 3.36Å; K40-K44 VanDerWaalsContact O-N 3.12Å; E41-K44 WeakPolarHBondContact O-CB 3.29Å; E41-K44 PolarHBondContact O-N 3.4Å; K42-K44 VanDerWaalsContact C-N 3.3Å; K42-K44 PolarHBondContact O-N 2.97Å; K44-Q46 VanDerWaalsContact C-N 3.33Å; K44-Q46 PolarHBondContact O-N 3.03Å; K44-K47 PolarHBondContact O-N 3.15Å; K44-V48 WeakPolarHBondContact O-CG2 3.49Å; K44-V48 PolarHBondContact O-N 3.45Å
45E96.3Very high95.3Very high109 Ų10970 Ų7051%0.50933%0.325SS..Hα-helixtrans-57.6-47.2176.3-67174-169.900111.1E41 K42 K47 V48 M49E41-E45 PolarHBondContact O-N 3.15Å; E41-E45 VanDerWaalsContact O-N 3.09Å; K42-E45 WeakPolarHBondContact CD-OE2 3.12Å; K42-E45 IonicContact NZ-OE1 2.9Å; K42-E45 PolarHBondContact NZ-OE1 3.06Å; K42-E45 IonicContact NZ-OE2 3.28Å; K42-E45 PolarHBondContact NZ-OE2 2.99Å; K42-E45 WeakPolarHBondContact O-CB 3.47Å; K42-E45 PolarHBondContact O-N 2.78Å; E45-K47 PolarHBondContact O-N 3.24Å; E45-V48 WeakPolarHBondContact O-CB 3.33Å; E45-V48 PolarHBondContact O-N 3.15Å; E45-M49 PolarHBondContact O-N 2.92Å
46Q95.8Very high95Very high25 Ų2572.7 Ų72.712%0.11734%0.339CS..Hα-helixtrans-63.1-39.5177.5-72174.5-8.500112.2K42 R43 K44 V48 M49 L50 E110 F114K42-Q46 WeakPolarHBondContact O-CG 3.47Å; K42-Q46 PolarHBondContact O-N 3.04Å; R43-Q46 PolarHBondContact O-N 2.96Å; K44-Q46 VanDerWaalsContact C-N 3.33Å; K44-Q46 PolarHBondContact O-N 3.03Å; Q46-V48 VanDerWaalsContact C-N 3.33Å; Q46-V48 PolarHBondContact O-N 3Å; Q46-M49 WeakPolarHBondContact O-CB 3.38Å; Q46-M49 PolarHBondContact O-N 2.88Å; Q46-L50 WeakPolarHBondContact O-CB 3.2Å; Q46-L50 PolarHBondContact O-N 2.91Å; Q46-E110 PolarHBondContact NE2-O 3.41Å; Q46-F114 HydrophobicContact CB-CD2 3.81Å; Q46-F114 HydrophobicContact CB-CE2 4.04Å; Q46-F114 HydrophobicContact CG-CD2 3.96Å; Q46-F114 HydrophobicContact CG-CE2 4.36Å; Q46-F114 HydrophobicContact CG-CG 4.23Å
47K95.2Very high94.6Very high114 Ų11474.7 Ų74.750%0.49636%0.355SS..Hα-helixtrans-64.1-36.2174.7-78.3-175.8178.3-169.70112.5R43 K44 E45 M49 L50 K51R43-K47 WeakPolarHBondContact O-CB 3.49Å; R43-K47 WeakPolarHBondContact O-CG 3.19Å; R43-K47 PolarHBondContact O-N 3.09Å; K44-K47 PolarHBondContact O-N 3.15Å; E45-K47 PolarHBondContact O-N 3.24Å; K47-M49 VanDerWaalsContact C-N 3.35Å; K47-L50 PolarHBondContact O-N 3.4Å; K47-K51 WeakPolarHBondContact O-CB 3.36Å; K47-K51 PolarHBondContact O-N 2.83Å
48V95.3Very high94.3Very high72 Ų7271.8 Ų71.844%0.43635%0.352SS..Hα-helixtrans-64-43.1172.7172.50000110.6K44 E45 Q46 K51 R52K44-V48 WeakPolarHBondContact O-CG2 3.49Å; K44-V48 PolarHBondContact O-N 3.45Å; E45-V48 WeakPolarHBondContact O-CB 3.33Å; E45-V48 PolarHBondContact O-N 3.15Å; Q46-V48 VanDerWaalsContact C-N 3.33Å; Q46-V48 PolarHBondContact O-N 3Å; V48-K51 PolarHBondContact O-N 3.29Å; V48-R52 WeakPolarHBondContact O-CG 3.5Å; V48-R52 PolarHBondContact O-N 2.92Å
49M94.8Very high94.1Very high81 Ų8172.8 Ų72.840%0.39935%0.354SS..Hα-helixtrans-61.9-45.4175.3-175.7176.1-172.300111.8E45 Q46 K47 K51 R52 L53 L69 F114E45-M49 PolarHBondContact O-N 2.92Å; Q46-M49 WeakPolarHBondContact O-CB 3.38Å; Q46-M49 PolarHBondContact O-N 2.88Å; K47-M49 VanDerWaalsContact C-N 3.35Å; M49-K51 PolarHBondContact O-N 3.12Å; M49-R52 WeakPolarHBondContact O-CB 3.36Å; M49-R52 PolarHBondContact O-N 2.97Å; M49-L53 PolarHBondContact O-N 3.04Å; M49-L69 HydrophobicContact CE-CD1 4.01Å; M49-L69 HydrophobicContact CE-CD2 3.31Å; M49-L69 HydrophobicContact CE-CG 4.17Å; M49-L69 HydrophobicContact SD-CD2 4.2Å; M49-F114 HydrophobicContact SD-CZ 4.1Å
50L95.2Very high93.9Very high6 Ų680.1 Ų80.13%0.03139%0.389CS..Hα-helixtrans-61.1-44.3177.8-173.868.7000111.5Q46 K47 R52 L53 L54 E117 L118 Y121 F122Q46-L50 WeakPolarHBondContact O-CB 3.2Å; Q46-L50 PolarHBondContact O-N 2.91Å; K47-L50 PolarHBondContact O-N 3.4Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 3.42Å; L50-L53 WeakPolarHBondContact O-CB 3.43Å; L50-L53 PolarHBondContact O-N 3.33Å; L50-L53 VanDerWaalsContact O-N 3.16Å; L50-L54 HydrophobicContact CG-CD1 4.23Å; L50-L54 WeakPolarHBondContact O-CG 3.4Å; L50-L54 PolarHBondContact O-N 2.92Å; L50-E117 HydrophobicContact CD2-CB 4.02Å; L50-E117 HydrophobicContact CD2-CG 4.43Å; L50-E117 WeakPolarHBondContact CD2-OE2 3.25Å; L50-L118 HydrophobicContact CD1-CD2 4.13Å; L50-Y121 HydrophobicContact CD1-CG 4.41Å; L50-Y121 HydrophobicContact CD2-CD1 4.47Å; L50-Y121 HydrophobicContact CD2-CD2 3.74Å; L50-Y121 HydrophobicContact CD2-CE1 4.37Å; L50-Y121 HydrophobicContact CD2-CE2 3.67Å; L50-Y121 HydrophobicContact CD2-CG 4.13Å; L50-F122 HydrophobicContact CD1-CE2 3.87Å
51K92.7Very high93.8Very high117 Ų11780.5 Ų80.551%0.50939%0.39SS..Hα-helixtrans-60-41.5175.5-176.1176-179.9177.80112K47 V48 M49 Q55K47-K51 WeakPolarHBondContact O-CB 3.36Å; K47-K51 PolarHBondContact O-N 2.83Å; V48-K51 PolarHBondContact O-N 3.29Å; M49-K51 PolarHBondContact O-N 3.12Å; K51-Q55 VanDerWaalsContact O-CG 3.24Å; K51-Q55 WeakPolarHBondContact O-CG 3.49Å; K51-Q55 PolarHBondContact O-N 3.4Å
52R93.9Very high93.7Very high165 Ų16575.6 Ų75.662%0.62337%0.368SS*.Hα-helixtrans-65-42.3175.5-71172.4-176.6173.52.5111.3V48 M49 L50 Q55 M56V48-R52 WeakPolarHBondContact O-CG 3.5Å; V48-R52 PolarHBondContact O-N 2.92Å; M49-R52 WeakPolarHBondContact O-CB 3.36Å; M49-R52 PolarHBondContact O-N 2.97Å; L50-R52 VanDerWaalsContact C-N 3.31Å; L50-R52 PolarHBondContact O-N 3.42Å; R52-Q55 PolarHBondContact O-N 3Å; R52-Q55 VanDerWaalsContact O-N 3.15Å; R52-M56 WeakPolarHBondContact O-CG 3.15Å; R52-M56 PolarHBondContact O-N 3.4Å
53L95.1Very high93.8Very high3 Ų376 Ų762%0.01637%0.37CS..Hα-helixtrans-60.6-48.2176.7179.455.7000111M49 L50 Q55 M56 H62 V65 V66 L69 L118 F122M49-L53 PolarHBondContact O-N 3.04Å; L50-L53 WeakPolarHBondContact O-CB 3.43Å; L50-L53 PolarHBondContact O-N 3.33Å; L50-L53 VanDerWaalsContact O-N 3.16Å; L53-Q55 PolarHBondContact O-N 3.32Å; L53-Q55 VanDerWaalsContact O-N 3.14Å; L53-M56 HydrophobicContact CD1-CE 4.5Å; L53-M56 HydrophobicContact CD1-SD 3.91Å; L53-M56 WeakPolarHBondContact O-CB 3.43Å; L53-M56 WeakPolarHBondContact O-CG 3.47Å; L53-M56 PolarHBondContact O-N 3.2Å; L53-H62 PolarHBondContact O-CD2 3.05Å; L53-H62 PolarHBondContact O-NE2 2.9Å; L53-V65 HydrophobicContact CD1-CB 3.66Å; L53-V65 HydrophobicContact CD1-CG1 3.67Å; L53-V65 HydrophobicContact CD1-CG2 4.28Å; L53-V65 HydrophobicContact CD2-CG1 4.22Å; L53-V66 HydrophobicContact CD2-CG2 3.95Å; L53-L69 HydrophobicContact CD2-CD1 4.25Å; L53-L118 HydrophobicContact CD2-CD2 4.29Å; L53-F122 HydrophobicContact CD2-CD2 4.38Å; L53-F122 HydrophobicContact CD2-CE2 3.62Å; L53-F122 HydrophobicContact CD2-CZ 3.95Å; L53-F122 HydrophobicContact CG-CE2 3.91Å; L53-F122 HydrophobicContact CG-CZ 3.7Å
54L92.7Very high93.8Very high4 Ų479 Ų792%0.02139%0.39CS..Hα-helixtrans-60.5-20.5175.3-72.4165.9000113.7L50 Y121 F122 K182 Y185 F186L50-L54 HydrophobicContact CG-CD1 4.23Å; L50-L54 WeakPolarHBondContact O-CG 3.4Å; L50-L54 PolarHBondContact O-N 2.92Å; L54-Y121 HydrophobicContact CD1-CD1 3.53Å; L54-Y121 HydrophobicContact CD1-CE1 3.64Å; L54-Y121 HydrophobicContact CD1-CG 4.5Å; L54-Y121 HydrophobicContact CD2-CD1 3.84Å; L54-Y121 HydrophobicContact CG-CD1 4.22Å; L54-F122 HydrophobicContact CD2-CE1 3.97Å; L54-F122 HydrophobicContact CD2-CE2 4.17Å; L54-F122 HydrophobicContact CD2-CZ 3.48Å; L54-F122 VanDerWaalsContact CD2-CZ 3.48Å; L54-F122 HydrophobicContact CG-CE2 4.49Å; L54-F122 HydrophobicContact CG-CZ 3.95Å; L54-K182 HydrophobicContact CD2-CB 3.62Å; L54-Y185 HydrophobicContact CB-CD1 4.39Å; L54-Y185 HydrophobicContact CB-CE1 4.32Å; L54-Y185 HydrophobicContact CD1-CD1 4.49Å; L54-Y185 HydrophobicContact CD1-CG 4.49Å; L54-F186 WeakPolarHBondContact O-CE1 3.31Å; L54-F186 WeakPolarHBondContact O-CZ 3.39Å
55Q90.9Very high93.9Very high97 Ų9774.5 Ų74.545%0.45337%0.374SS..THydrogen-bonded Turntrans-92.4-3.9178.5-71.3174.1-8.700112.8K51 R52 L53K51-Q55 VanDerWaalsContact O-CG 3.24Å; K51-Q55 WeakPolarHBondContact O-CG 3.49Å; K51-Q55 PolarHBondContact O-N 3.4Å; R52-Q55 PolarHBondContact O-N 3Å; R52-Q55 VanDerWaalsContact O-N 3.15Å; L53-Q55 PolarHBondContact O-N 3.32Å; L53-Q55 VanDerWaalsContact O-N 3.14Å
56M90.6Very high94Very high69 Ų6969.3 Ų69.334%0.3435%0.349SS..SBendtrans-70.5141178.3-62.9-171.6-177.100110.4R52 L53 H62 V65R52-M56 WeakPolarHBondContact O-CG 3.15Å; R52-M56 PolarHBondContact O-N 3.4Å; L53-M56 HydrophobicContact CD1-CE 4.5Å; L53-M56 HydrophobicContact CD1-SD 3.91Å; L53-M56 WeakPolarHBondContact O-CB 3.43Å; L53-M56 WeakPolarHBondContact O-CG 3.47Å; L53-M56 PolarHBondContact O-N 3.2Å; M56-H62 PolarHBondContact O-CE1 3.44Å; M56-H62 PolarHBondContact O-NE2 3.42Å; M56-V65 HydrophobicContact SD-CG2 4.26Å
57P87.5Confident94.1Very high94 Ų9469.7 Ų69.761%0.6135%0.352SS*.SBendtrans-80127177.529.6-32.8000111K61P57-K61 WeakPolarHBondContact O-CD 3.37Å
58G89.3Confident94.2Very high46 Ų4670 Ų7047%0.47436%0.357SS..SBendtrans93.1137.1164.900000115Q60 K61 H62G58-Q60 VanDerWaalsContact C-N 3.29Å; G58-Q60 PolarHBondContact O-N 2.73Å; G58-K61 PolarHBondContact O-N 3.19Å; G58-K61 VanDerWaalsContact O-N 3.13Å; G58-H62 PolarHBondContact O-N 3.46Å; G58-H62 PolarHBondContact O-ND1 3.2Å
59D91.1Very high94.3Very high92 Ų9267.8 Ų67.849%0.49234%0.342SS..Hα-helixtrans-60.7-34.7-176.2-74-22.5000113.8K61 H62 E63 F125 K182D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.46Å; D59-H62 WeakPolarHBondContact O-CB 3.45Å; D59-H62 PolarHBondContact O-N 2.87Å; D59-H62 IonicContact OD1-ND1 2.68Å; D59-E63 WeakPolarHBondContact O-CB 3.48Å; D59-E63 PolarHBondContact O-N 3.48Å; D59-F125 HydrophobicContact CB-CZ 3.94Å; D59-K182 IonicContact OD1-NZ 3.75Å; D59-K182 PolarHBondContact OD1-NZ 2.92Å
60Q93.2Very high94.5Very high155 Ų15563.9 Ų63.972%0.72432%0.323SS*.Hα-helixtrans-60.1-37.9177.4-171-179.119.900112.6G58 T64G58-Q60 VanDerWaalsContact C-N 3.29Å; G58-Q60 PolarHBondContact O-N 2.73Å; Q60-T64 WeakPolarHBondContact O-CB 3.24Å; Q60-T64 PolarHBondContact O-N 2.82Å; Q60-T64 PolarHBondContact O-OG1 3.13Å
61K94.3Very high94.7Very high120 Ų12067.3 Ų67.352%0.52234%0.342SS..Hα-helixtrans-72.4-41.8177.3-70.4-171.6-175.8173.60111P57 G58 D59 T64 V65P57-K61 WeakPolarHBondContact O-CD 3.37Å; G58-K61 PolarHBondContact O-N 3.19Å; G58-K61 VanDerWaalsContact O-N 3.13Å; D59-K61 VanDerWaalsContact C-N 3.28Å; D59-K61 PolarHBondContact O-N 3.46Å; K61-T64 PolarHBondContact O-N 3.03Å; K61-V65 WeakPolarHBondContact O-CG2 3.43Å; K61-V65 PolarHBondContact O-N 3.04Å
62H95.1Very high94.9Very high5 Ų564.5 Ų64.52%0.02334%0.34CS..Hα-helixtrans-57-52.2174.2-63.8138.6000111L53 M56 G58 D59 T64 V65 V66 F122 F125L53-H62 PolarHBondContact O-CD2 3.05Å; L53-H62 PolarHBondContact O-NE2 2.9Å; M56-H62 PolarHBondContact O-CE1 3.44Å; M56-H62 PolarHBondContact O-NE2 3.42Å; G58-H62 PolarHBondContact O-N 3.46Å; G58-H62 PolarHBondContact O-ND1 3.2Å; D59-H62 WeakPolarHBondContact O-CB 3.45Å; D59-H62 PolarHBondContact O-N 2.87Å; D59-H62 IonicContact OD1-ND1 2.68Å; H62-T64 VanDerWaalsContact C-N 3.33Å; H62-T64 PolarHBondContact O-N 3.09Å; H62-V65 PolarHBondContact O-N 3.5Å; H62-V66 WeakPolarHBondContact O-CB 3.22Å; H62-V66 VanDerWaalsContact O-CG2 3.24Å; H62-V66 WeakPolarHBondContact O-CG2 3.34Å; H62-V66 PolarHBondContact O-N 3.46Å; H62-F122 HydrophobicContact CB-CD1 4.27Å; H62-F122 HydrophobicContact CB-CE1 4.05Å; H62-F122 AromaticContact CD2-CE1 3.91Å; H62-F122 AromaticContact CG-CE1 3.9Å; H62-F125 HydrophobicContact CB-CD2 4.19Å; H62-F125 HydrophobicContact CB-CE2 3.43Å; H62-F125 VanDerWaalsContact CB-CE2 3.43Å; H62-F125 HydrophobicContact CB-CZ 4.12Å
63E97.1Very high95.1Very high81 Ų8156.9 Ų56.938%0.37931%0.312SS..Hα-helixtrans-56.1-47.6178.1-175.8178.5-17200111.5D59 V65 V66 N67 F125D59-E63 WeakPolarHBondContact O-CB 3.48Å; D59-E63 PolarHBondContact O-N 3.48Å; E63-V65 PolarHBondContact O-N 3.02Å; E63-V66 PolarHBondContact O-N 2.92Å; E63-N67 WeakPolarHBondContact CG-ND2 3.42Å; E63-N67 VanDerWaalsContact O-CB 3.29Å; E63-N67 WeakPolarHBondContact O-CB 3.37Å; E63-N67 PolarHBondContact O-N 3.46Å; E63-N67 PolarHBondContact O-ND2 2.85Å; E63-F125 HydrophobicContact CB-CD1 3.64Å; E63-F125 HydrophobicContact CB-CD2 4.31Å; E63-F125 HydrophobicContact CB-CE1 3.72Å; E63-F125 HydrophobicContact CB-CE2 4.41Å; E63-F125 HydrophobicContact CB-CG 3.98Å; E63-F125 HydrophobicContact CB-CZ 4.13Å; E63-F125 HydrophobicContact CG-CD1 3.76Å; E63-F125 HydrophobicContact CG-CE1 4.24Å; E63-F125 HydrophobicContact CG-CG 4.2Å
64T97.7Very high95.2Very high77 Ų7757.7 Ų57.747%0.47232%0.316SS..Hα-helixtrans-58.5-47.3179.7-59.10000111.7Q60 K61 H62 M68Q60-T64 WeakPolarHBondContact O-CB 3.24Å; Q60-T64 PolarHBondContact O-N 2.82Å; Q60-T64 PolarHBondContact O-OG1 3.13Å; K61-T64 PolarHBondContact O-N 3.03Å; H62-T64 VanDerWaalsContact C-N 3.33Å; H62-T64 PolarHBondContact O-N 3.09Å; T64-M68 WeakPolarHBondContact O-CB 3.33Å; T64-M68 PolarHBondContact O-N 3.05Å
65V97.8Very high95.5Very high33 Ų3360.4 Ų60.420%0.233%0.333CS..Hα-helixtrans-73.6-40.7-178.1177.40000111.4L53 M56 K61 H62 E63 N67 M68 L69L53-V65 HydrophobicContact CD1-CB 3.66Å; L53-V65 HydrophobicContact CD1-CG1 3.67Å; L53-V65 HydrophobicContact CD1-CG2 4.28Å; L53-V65 HydrophobicContact CD2-CG1 4.22Å; M56-V65 HydrophobicContact SD-CG2 4.26Å; K61-V65 WeakPolarHBondContact O-CG2 3.43Å; K61-V65 PolarHBondContact O-N 3.04Å; H62-V65 PolarHBondContact O-N 3.5Å; E63-V65 PolarHBondContact O-N 3.02Å; V65-N67 VanDerWaalsContact C-N 3.34Å; V65-N67 PolarHBondContact O-N 3.37Å; V65-M68 PolarHBondContact O-N 2.75Å; V65-L69 HydrophobicContact CG1-CD1 4.01Å; V65-L69 HydrophobicContact CG1-CG 4.36Å; V65-L69 VanDerWaalsContact O-CG 3.28Å; V65-L69 WeakPolarHBondContact O-CG 3.46Å; V65-L69 PolarHBondContact O-N 3.5Å
66V97.9Very high95.8Very high0 Ų060.1 Ų60.10%033%0.328CS..Hα-helixtrans-59.1-47175.51700000110.4L53 H62 E63 M68 L69 I70 F122 F125 V126L53-V66 HydrophobicContact CD2-CG2 3.95Å; H62-V66 WeakPolarHBondContact O-CB 3.22Å; H62-V66 VanDerWaalsContact O-CG2 3.24Å; H62-V66 WeakPolarHBondContact O-CG2 3.34Å; H62-V66 PolarHBondContact O-N 3.46Å; E63-V66 PolarHBondContact O-N 2.92Å; V66-M68 PolarHBondContact O-N 3.4Å; V66-L69 PolarHBondContact O-N 2.9Å; V66-I70 HydrophobicContact CG1-CD1 3.89Å; V66-I70 WeakPolarHBondContact O-CG1 3.28Å; V66-I70 PolarHBondContact O-N 3.47Å; V66-F122 HydrophobicContact CG2-CB 4.04Å; V66-F122 HydrophobicContact CG2-CD1 4.38Å; V66-F122 HydrophobicContact CG2-CD2 3.73Å; V66-F122 HydrophobicContact CG2-CE2 4.28Å; V66-F122 HydrophobicContact CG2-CG 3.79Å; V66-F125 HydrophobicContact CB-CB 4.4Å; V66-F125 HydrophobicContact CG1-CB 4.04Å; V66-F125 HydrophobicContact CG2-CD2 4.29Å; V66-V126 HydrophobicContact CG1-CG2 4.03Å
67N98.1Very high96.2Very high32 Ų3256.9 Ų56.917%0.17131%0.312CS..Hα-helixtrans-61.7-44.4177.3-72.3-23.2000111.6E63 V65 L69 I70 D71 R129E63-N67 WeakPolarHBondContact CG-ND2 3.42Å; E63-N67 VanDerWaalsContact O-CB 3.29Å; E63-N67 WeakPolarHBondContact O-CB 3.37Å; E63-N67 PolarHBondContact O-N 3.46Å; E63-N67 PolarHBondContact O-ND2 2.85Å; V65-N67 VanDerWaalsContact C-N 3.34Å; V65-N67 PolarHBondContact O-N 3.37Å; N67-L69 VanDerWaalsContact C-N 3.29Å; N67-L69 PolarHBondContact O-N 3Å; N67-I70 PolarHBondContact O-N 2.9Å; N67-D71 WeakPolarHBondContact O-CB 3.41Å; N67-D71 PolarHBondContact O-N 3.25Å; N67-R129 WeakPolarHBondContact OD1-CD 3.34Å; N67-R129 WeakPolarHBondContact OD1-CG 3.47Å
68M98.1Very high96.7Very high121 Ų12157.4 Ų57.460%0.59631%0.306SS*.Hα-helixtrans-58.4-40.4175.5-176.8-173.3-61.900112.4T64 V65 V66 A72T64-M68 WeakPolarHBondContact O-CB 3.33Å; T64-M68 PolarHBondContact O-N 3.05Å; V65-M68 PolarHBondContact O-N 2.75Å; V66-M68 PolarHBondContact O-N 3.4Å; M68-A72 WeakPolarHBondContact O-CB 3.47Å; M68-A72 PolarHBondContact O-N 3.01Å
69L98.1Very high97.1Very high25 Ų2560.4 Ų60.413%0.13131%0.312CS..Hα-helixtrans-68.5-41.8178.2-69.1167.6000112M49 L53 V65 V66 N67 A72 M73 F114 L118M49-L69 HydrophobicContact CE-CD1 4.01Å; M49-L69 HydrophobicContact CE-CD2 3.31Å; M49-L69 HydrophobicContact CE-CG 4.17Å; M49-L69 HydrophobicContact SD-CD2 4.2Å; L53-L69 HydrophobicContact CD2-CD1 4.25Å; V65-L69 HydrophobicContact CG1-CD1 4.01Å; V65-L69 HydrophobicContact CG1-CG 4.36Å; V65-L69 VanDerWaalsContact O-CG 3.28Å; V65-L69 WeakPolarHBondContact O-CG 3.46Å; V65-L69 PolarHBondContact O-N 3.5Å; V66-L69 PolarHBondContact O-N 2.9Å; N67-L69 VanDerWaalsContact C-N 3.29Å; N67-L69 PolarHBondContact O-N 3Å; L69-A72 PolarHBondContact O-N 3.44Å; L69-M73 HydrophobicContact CB-CE 4.4Å; L69-M73 WeakPolarHBondContact O-CB 3.38Å; L69-M73 WeakPolarHBondContact O-CE 3.46Å; L69-M73 VanDerWaalsContact O-CG 3.31Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3.36Å; L69-F114 HydrophobicContact CB-CE1 4.39Å; L69-F114 HydrophobicContact CD1-CE1 4.02Å; L69-F114 HydrophobicContact CD1-CZ 3.96Å; L69-F114 HydrophobicContact CD2-CE1 3.99Å; L69-F114 HydrophobicContact CD2-CZ 4.49Å; L69-F114 HydrophobicContact CG-CE1 4.35Å; L69-L118 HydrophobicContact CB-CD1 3.77Å; L69-L118 HydrophobicContact CD1-CD1 4.12Å; L69-L118 HydrophobicContact CD1-CD2 4.12Å
70I98.5Very high97.5Very high0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-59.9-49.1174.8-69.1169.2000110.1V66 N67 A72 M73 L74 F115 L118 V126 R129 V135 F139V66-I70 HydrophobicContact CG1-CD1 3.89Å; V66-I70 WeakPolarHBondContact O-CG1 3.28Å; V66-I70 PolarHBondContact O-N 3.47Å; N67-I70 PolarHBondContact O-N 2.9Å; I70-A72 PolarHBondContact O-N 3.4Å; I70-M73 HydrophobicContact CG1-CE 4.41Å; I70-M73 PolarHBondContact O-N 2.87Å; I70-L74 HydrophobicContact CG2-CD1 4.39Å; I70-L74 PolarHBondContact O-N 2.98Å; I70-F115 HydrophobicContact CD1-CE2 4.3Å; I70-F115 HydrophobicContact CG1-CD2 4.24Å; I70-F115 HydrophobicContact CG1-CE2 4.21Å; I70-L118 HydrophobicContact CG1-CD1 4.38Å; I70-V126 HydrophobicContact CD1-CG2 4.17Å; I70-R129 HydrophobicContact CD1-CB 4.27Å; I70-R129 HydrophobicContact CD1-CG 4.06Å; I70-V135 HydrophobicContact CG2-CG1 4.04Å; I70-F139 HydrophobicContact CG2-CE2 4.01Å
71D98.2Very high97.7Very high78 Ų7852.5 Ų52.542%0.41727%0.269SS..Hα-helixtrans-63.2-32.4-179.1-65.5-16.3000111.9N67 P75 R129N67-D71 WeakPolarHBondContact O-CB 3.41Å; N67-D71 PolarHBondContact O-N 3.25Å; D71-P75 WeakPolarHBondContact O-CD 3.41Å; D71-R129 IonicContact OD1-CZ 2.67Å; D71-R129 IonicContact OD1-NE 3.69Å; D71-R129 IonicContact OD1-NH2 3.71Å; D71-R129 PolarHBondContact OD1-NH2 3.39Å
72A97.6Very high97.9Very high57 Ų5749.2 Ų49.247%0.47127%0.265SS..Hα-helixtrans-74.8-28.6173.800000113.6M68 L69 I70M68-A72 WeakPolarHBondContact O-CB 3.47Å; M68-A72 PolarHBondContact O-N 3.01Å; L69-A72 PolarHBondContact O-N 3.44Å; I70-A72 PolarHBondContact O-N 3.4Å
73M98.3Very high98.1Very high6 Ų650.5 Ų50.53%0.0327%0.272CS..Hα-helixtrans-80.3-35.3179.9-77.3-173.4-71.400113.2L69 I70 R76 I77 F114 F115 L118 F139L69-M73 HydrophobicContact CB-CE 4.4Å; L69-M73 WeakPolarHBondContact O-CB 3.38Å; L69-M73 WeakPolarHBondContact O-CE 3.46Å; L69-M73 VanDerWaalsContact O-CG 3.31Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3.36Å; I70-M73 HydrophobicContact CG1-CE 4.41Å; I70-M73 PolarHBondContact O-N 2.87Å; M73-R76 WeakPolarHBondContact O-CB 3.43Å; M73-R76 PolarHBondContact O-N 3.41Å; M73-I77 PolarHBondContact O-N 3.39Å; M73-F114 HydrophobicContact CE-CD1 4.13Å; M73-F114 HydrophobicContact SD-CB 4.21Å; M73-F114 HydrophobicContact SD-CD1 3.67Å; M73-F114 HydrophobicContact SD-CG 4.38Å; M73-F115 HydrophobicContact CE-CB 4.07Å; M73-F115 HydrophobicContact CE-CD2 4.31Å; M73-F115 HydrophobicContact SD-CB 4.24Å; M73-L118 HydrophobicContact CE-CD1 3.62Å; M73-F139 HydrophobicContact CB-CE1 4.44Å; M73-F139 HydrophobicContact CB-CZ 3.92Å; M73-F139 HydrophobicContact CE-CZ 4.45Å
74L98Very high98.1Very high20 Ų2046.6 Ų46.611%0.10525%0.254CS..Hα-helixtrans-49.9-57.4-178.8-78.2168.2000113.9I70 R76 I77 E78 V135 P138 F139I70-L74 HydrophobicContact CG2-CD1 4.39Å; I70-L74 PolarHBondContact O-N 2.98Å; L74-R76 PolarHBondContact O-N 2.79Å; L74-I77 PolarHBondContact O-N 3.38Å; L74-I77 VanDerWaalsContact O-N 3.15Å; L74-E78 WeakPolarHBondContact O-CG 3.2Å; L74-E78 PolarHBondContact O-N 3.15Å; L74-V135 HydrophobicContact CD1-CG2 4.25Å; L74-P138 HydrophobicContact CD2-CB 4.07Å; L74-P138 HydrophobicContact CD2-CG 4.13Å; L74-F139 HydrophobicContact CD2-CD2 3.87Å; L74-F139 HydrophobicContact CD2-CE2 3.53Å; L74-F139 HydrophobicContact CD2-CZ 4.42Å; L74-F139 HydrophobicContact CG-CE2 3.9Å
75P97.5Very high98.1Very high60 Ų6047.9 Ų47.939%0.3926%0.255SS..Hα-helixtrans-65.4-27.7-179.826.1-35.1000112.5D71 N79D71-P75 WeakPolarHBondContact O-CD 3.41Å; P75-N79 VanDerWaalsContact O-CB 3.25Å; P75-N79 WeakPolarHBondContact O-CB 3.42Å; P75-N79 PolarHBondContact O-N 3.47Å; P75-N79 PolarHBondContact O-ND2 3.42Å
76R97.7Very high98.1Very high92 Ų9253 Ų5335%0.34728%0.276SS..Hα-helixtrans-66.2-44.3175.3-66.2176.766-142.9-1.2110.9M73 L74 A80 I107 S111M73-R76 WeakPolarHBondContact O-CB 3.43Å; M73-R76 PolarHBondContact O-N 3.41Å; L74-R76 PolarHBondContact O-N 2.79Å; R76-A80 VanDerWaalsContact O-CB 3.25Å; R76-A80 WeakPolarHBondContact O-CB 3.09Å; R76-A80 PolarHBondContact O-N 2.91Å; R76-I107 HydrophobicContact CB-CG2 3.85Å; R76-S111 PolarHBondContact NH1-OG 2.99Å
77I98.5Very high98.1Very high1 Ų155.3 Ų55.31%0.00529%0.293CS..Hα-helixtrans-65-47177.3-73.2171.4000110.8M73 L74 N79 A80 R81 L108 P138 F139M73-I77 PolarHBondContact O-N 3.39Å; L74-I77 PolarHBondContact O-N 3.38Å; L74-I77 VanDerWaalsContact O-N 3.15Å; I77-N79 PolarHBondContact O-N 2.97Å; I77-A80 PolarHBondContact O-N 3.15Å; I77-R81 VanDerWaalsContact O-CB 3.24Å; I77-R81 WeakPolarHBondContact O-CB 3.37Å; I77-R81 PolarHBondContact O-N 3.49Å; I77-L108 HydrophobicContact CB-CD1 4.35Å; I77-L108 HydrophobicContact CG1-CD1 4.31Å; I77-L108 HydrophobicContact CG2-CD1 3.91Å; I77-P138 HydrophobicContact CG2-CB 4.31Å; I77-F139 HydrophobicContact CD1-CD1 3.47Å; I77-F139 VanDerWaalsContact CD1-CD1 3.47Å; I77-F139 HydrophobicContact CD1-CE1 3.1Å; I77-F139 HydrophobicContact CD1-CG 4.36Å; I77-F139 HydrophobicContact CD1-CZ 3.76Å
78E98.3Very high98Very high104 Ų10456 Ų5649%0.48631%0.308SS..Hα-helixtrans-64.4-41.8-179.3-69-176.6136.900112.3L74 R81 A82 P138L74-E78 WeakPolarHBondContact O-CG 3.2Å; L74-E78 PolarHBondContact O-N 3.15Å; E78-R81 WeakPolarHBondContact O-CB 3.33Å; E78-R81 PolarHBondContact O-N 2.87Å; E78-A82 PolarHBondContact O-N 3.46Å; E78-P138 HydrophobicContact CG-CB 4.36Å; E78-P138 HydrophobicContact CG-CG 4.42Å
79N98.2Very high98Very high110 Ų11050.6 Ų50.659%0.58828%0.281SS*.Hα-helixtrans-67-44.4176.5-72.6-35.3000112P75 I77 R81 A82 V83P75-N79 VanDerWaalsContact O-CB 3.25Å; P75-N79 WeakPolarHBondContact O-CB 3.42Å; P75-N79 PolarHBondContact O-N 3.47Å; P75-N79 PolarHBondContact O-ND2 3.42Å; I77-N79 PolarHBondContact O-N 2.97Å; N79-R81 VanDerWaalsContact C-N 3.32Å; N79-R81 PolarHBondContact O-N 3.35Å; N79-A82 PolarHBondContact O-N 3.39Å; N79-V83 WeakPolarHBondContact O-CG2 3.25Å; N79-V83 PolarHBondContact O-N 2.95Å; N79-V83 VanDerWaalsContact O-N 3.15Å
80A98.4Very high97.9Very high4 Ų454.4 Ų54.43%0.03330%0.301CS..Hα-helixtrans-60.8-43.6176.300000111.4R76 I77 A82 V83 L84 A104 I107 L108R76-A80 VanDerWaalsContact O-CB 3.25Å; R76-A80 WeakPolarHBondContact O-CB 3.09Å; R76-A80 PolarHBondContact O-N 2.91Å; I77-A80 PolarHBondContact O-N 3.15Å; A80-A82 PolarHBondContact O-N 3.22Å; A80-V83 PolarHBondContact O-N 2.68Å; A80-L84 WeakPolarHBondContact O-CG 3.49Å; A80-L84 PolarHBondContact O-N 3.05Å; A80-A104 HydrophobicContact CB-CB 4.37Å; A80-A104 WeakPolarHBondContact CB-O 3.25Å; A80-I107 HydrophobicContact CB-CB 4.18Å; A80-I107 HydrophobicContact CB-CG2 3.9Å; A80-L108 HydrophobicContact CB-CB 4.25Å; A80-L108 HydrophobicContact CB-CD1 4.33Å
81R98.4Very high97.8Very high77 Ų7756.5 Ų56.529%0.29131%0.314SS..Hα-helixtrans-54.9-51.5173.6172.6173.8-175.6176.21.3111.9I77 E78 N79 V83 L84 E85 W141I77-R81 VanDerWaalsContact O-CB 3.24Å; I77-R81 WeakPolarHBondContact O-CB 3.37Å; I77-R81 PolarHBondContact O-N 3.49Å; E78-R81 WeakPolarHBondContact O-CB 3.33Å; E78-R81 PolarHBondContact O-N 2.87Å; N79-R81 VanDerWaalsContact C-N 3.32Å; N79-R81 PolarHBondContact O-N 3.35Å; R81-V83 VanDerWaalsContact C-N 3.27Å; R81-V83 PolarHBondContact O-N 3.07Å; R81-L84 PolarHBondContact O-N 3.45Å; R81-L84 VanDerWaalsContact O-N 3.15Å; R81-E85 HydrophobicContact CG-CG 4.24Å; R81-E85 IonicContact CZ-OE1 3.86Å; R81-E85 VanDerWaalsContact CZ-OE1 3.28Å; R81-E85 IonicContact NE-OE1 2.76Å; R81-E85 PolarHBondContact NE-OE1 3.5Å; R81-E85 IonicContact NE-OE2 3.83Å; R81-E85 IonicContact NH2-OE1 2.69Å; R81-E85 PolarHBondContact NH2-OE1 3.15Å; R81-E85 WeakPolarHBondContact O-CG 3.2Å; R81-E85 PolarHBondContact O-N 3.22Å; R81-W141 HydrophobicContact CB-CE3 4.17Å; R81-W141 HydrophobicContact CB-CH2 3.6Å; R81-W141 HydrophobicContact CB-CZ2 4.33Å; R81-W141 HydrophobicContact CB-CZ3 3.49Å; R81-W141 VanDerWaalsContact CB-CZ3 3.49Å; R81-W141 HydrophobicContact CG-CD2 4.28Å; R81-W141 HydrophobicContact CG-CE3 4.06Å; R81-W141 HydrophobicContact CG-CH2 3.43Å; R81-W141 VanDerWaalsContact CG-CH2 3.43Å; R81-W141 HydrophobicContact CG-CZ2 3.64Å; R81-W141 HydrophobicContact CG-CZ3 3.63Å
82A98.4Very high97.6Very high51 Ų5156.5 Ų56.542%0.42133%0.332SS..Hα-helixtrans-58.7-40.7-178.200000111.9E78 N79 A80 E86E78-A82 PolarHBondContact O-N 3.46Å; N79-A82 PolarHBondContact O-N 3.39Å; A80-A82 PolarHBondContact O-N 3.22Å; A82-E86 VanDerWaalsContact O-CB 3.25Å; A82-E86 WeakPolarHBondContact O-CB 3.43Å; A82-E86 PolarHBondContact O-N 2.96Å
83V98.5Very high97.4Very high31 Ų3157.9 Ų57.919%0.18833%0.33CS..Hα-helixtrans-63.4-44.4176.3172.80000111.7N79 A80 R81 S87 R100 A104N79-V83 WeakPolarHBondContact O-CG2 3.25Å; N79-V83 PolarHBondContact O-N 2.95Å; N79-V83 VanDerWaalsContact O-N 3.15Å; A80-V83 PolarHBondContact O-N 2.68Å; R81-V83 VanDerWaalsContact C-N 3.27Å; R81-V83 PolarHBondContact O-N 3.07Å; V83-S87 WeakPolarHBondContact O-CB 3.46Å; V83-S87 PolarHBondContact O-N 2.97Å; V83-S87 PolarHBondContact O-OG 3.4Å; V83-R100 HydrophobicContact CG1-CG 3.71Å; V83-A104 HydrophobicContact CB-CB 3.89Å; V83-A104 HydrophobicContact CG1-CB 3.68Å
84L98.4Very high97.3Very high0 Ų059.7 Ų59.70%035%0.346CS..Hα-helixtrans-67-44.8-179.6-65.6171000111.5A80 R81 S87 G88 F89 A104 L105 L108 F145A80-L84 WeakPolarHBondContact O-CG 3.49Å; A80-L84 PolarHBondContact O-N 3.05Å; R81-L84 PolarHBondContact O-N 3.45Å; R81-L84 VanDerWaalsContact O-N 3.15Å; L84-S87 PolarHBondContact O-N 3.41Å; L84-S87 PolarHBondContact O-OG 3.07Å; L84-G88 PolarHBondContact O-N 3.3Å; L84-G88 VanDerWaalsContact O-N 3.16Å; L84-F89 HydrophobicContact CB-CB 4.5Å; L84-F89 HydrophobicContact CD2-CB 4.12Å; L84-F89 HydrophobicContact CD2-CD1 4.19Å; L84-F89 HydrophobicContact CD2-CG 4.21Å; L84-F89 PolarHBondContact O-N 2.68Å; L84-A104 HydrophobicContact CD2-CB 3.95Å; L84-A104 HydrophobicContact CG-CB 3.92Å; L84-L105 HydrophobicContact CD1-CD2 3.82Å; L84-L105 HydrophobicContact CD1-CG 4.34Å; L84-L105 HydrophobicContact CD2-CD2 4.04Å; L84-L105 HydrophobicContact CD2-CG 3.81Å; L84-L108 HydrophobicContact CD1-CD2 3.94Å; L84-F145 HydrophobicContact CD1-CE1 3.93Å; L84-F145 HydrophobicContact CD1-CZ 3.89Å
85E97.5Very high97.2Very high104 Ų10458.9 Ų58.949%0.48634%0.342SS..Hα-helixtrans-62.1-45176.1-72-177.5169.600111.9R81 S87 G88R81-E85 HydrophobicContact CG-CG 4.24Å; R81-E85 IonicContact CZ-OE1 3.86Å; R81-E85 VanDerWaalsContact CZ-OE1 3.28Å; R81-E85 IonicContact NE-OE1 2.76Å; R81-E85 PolarHBondContact NE-OE1 3.5Å; R81-E85 IonicContact NE-OE2 3.83Å; R81-E85 IonicContact NH2-OE1 2.69Å; R81-E85 PolarHBondContact NH2-OE1 3.15Å; R81-E85 WeakPolarHBondContact O-CG 3.2Å; R81-E85 PolarHBondContact O-N 3.22Å; E85-S87 VanDerWaalsContact C-N 3.26Å; E85-S87 PolarHBondContact O-N 2.92Å; E85-G88 PolarHBondContact O-N 3.24Å; E85-G88 VanDerWaalsContact O-N 3.12Å
86E97.8Very high97.1Very high139 Ų13956.4 Ų56.465%0.6533%0.326SS*.Hα-helixtrans-59.7-38.2175.9-174.2-170.6169.900111.7A82 G88 R100A82-E86 VanDerWaalsContact O-CB 3.25Å; A82-E86 WeakPolarHBondContact O-CB 3.43Å; A82-E86 PolarHBondContact O-N 2.96Å; E86-G88 VanDerWaalsContact C-N 3.26Å; E86-G88 PolarHBondContact O-N 3.09Å; E86-R100 IonicContact OE1-NH1 3.8Å; E86-R100 IonicContact OE1-NH2 3.95Å; E86-R100 IonicContact OE2-CZ 3.63Å; E86-R100 IonicContact OE2-NH1 3.76Å; E86-R100 IonicContact OE2-NH2 2.73Å; E86-R100 PolarHBondContact OE2-NH2 3.45Å
87S97Very high97Very high49 Ų4955.7 Ų55.734%0.34334%0.34SS..THydrogen-bonded Turntrans-78.3-8.418079.80000114.2V83 L84 E85 F89 Q101V83-S87 WeakPolarHBondContact O-CB 3.46Å; V83-S87 PolarHBondContact O-N 2.97Å; V83-S87 PolarHBondContact O-OG 3.4Å; L84-S87 PolarHBondContact O-N 3.41Å; L84-S87 PolarHBondContact O-OG 3.07Å; E85-S87 VanDerWaalsContact C-N 3.26Å; E85-S87 PolarHBondContact O-N 2.92Å; S87-F89 PolarHBondContact O-N 3.12Å; S87-F89 WeakPolarHBondContact OG-CB 3.28Å; S87-F89 PolarHBondContact OG-N 3.25Å; S87-Q101 PolarHBondContact OG-NE2 2.99Å
88G96.8Very high96.9Very high48 Ų4859.6 Ų59.650%0.49536%0.36SS..THydrogen-bonded Turntrans69.117.6-17400000114.1L84 E85 E86 I90L84-G88 PolarHBondContact O-N 3.3Å; L84-G88 VanDerWaalsContact O-N 3.16Å; E85-G88 PolarHBondContact O-N 3.24Å; E85-G88 VanDerWaalsContact O-N 3.12Å; E86-G88 VanDerWaalsContact C-N 3.26Å; E86-G88 PolarHBondContact O-N 3.09Å; G88-I90 PolarHBondContact O-N 3.29Å
89F97.5Very high96.7Very high7 Ų760.3 Ų60.33%0.03137%0.367CS..  trans-71.9124.8176.6-172.9-81.8000109.8L84 S87 M93 A94 P96 L105 F145 F151L84-F89 HydrophobicContact CB-CB 4.5Å; L84-F89 HydrophobicContact CD2-CB 4.12Å; L84-F89 HydrophobicContact CD2-CD1 4.19Å; L84-F89 HydrophobicContact CD2-CG 4.21Å; L84-F89 PolarHBondContact O-N 2.68Å; S87-F89 PolarHBondContact O-N 3.12Å; S87-F89 WeakPolarHBondContact OG-CB 3.28Å; S87-F89 PolarHBondContact OG-N 3.25Å; F89-M93 HydrophobicContact CD2-CB 4.45Å; F89-M93 HydrophobicContact CD2-CE 4.5Å; F89-M93 HydrophobicContact CD2-SD 4.36Å; F89-M93 HydrophobicContact CE2-CB 3.95Å; F89-M93 HydrophobicContact CZ-CB 4.14Å; F89-A94 WeakPolarHBondContact CE2-O 3.43Å; F89-P96 HydrophobicContact CD2-CB 4.4Å; F89-P96 HydrophobicContact CD2-CG 4.49Å; F89-P96 HydrophobicContact CE2-CB 4.21Å; F89-P96 HydrophobicContact CE2-CG 4.11Å; F89-L105 HydrophobicContact CD1-CD2 4.22Å; F89-L105 HydrophobicContact CE1-CD1 3.94Å; F89-L105 HydrophobicContact CE1-CD2 3.81Å; F89-L105 HydrophobicContact CE1-CG 4.35Å; F89-L105 HydrophobicContact CE2-CD1 4.13Å; F89-L105 HydrophobicContact CZ-CD1 3.72Å; F89-L105 HydrophobicContact CZ-CD2 4.41Å; F89-F145 AromaticContact CD1-CZ 3.94Å; F89-F145 HydrophobicContact CD1-CZ 3.94Å; F89-F145 HydrophobicContact CE1-CZ 4.19Å; F89-F151 AromaticContact CZ-CE2 3.97Å; F89-F151 HydrophobicContact CZ-CE2 3.97Å; F89-F151 HydrophobicContact CZ-CZ 4.44Å
90I95.8Very high96.7Very high105 Ų10561.3 Ų61.354%0.53836%0.362SS..  trans-126.215317860.6170.9000110.8G88 M93G88-I90 PolarHBondContact O-N 3.29Å; I90-M93 HydrophobicContact CG1-CG 3.88Å; I90-M93 HydrophobicContact CG1-SD 3.73Å; I90-M93 PolarHBondContact N-SD 3.42Å; I90-M93 VanDerWaalsContact N-SD 3.38Å; I90-M93 WeakPolarHBondContact O-CB 3.44Å; I90-M93 VanDerWaalsContact O-CG 3.29Å; I90-M93 WeakPolarHBondContact O-CG 3.25Å; I90-M93 PolarHBondContact O-N 2.9Å
91P96.1Very high96.7Very high44 Ų4462.6 Ų62.629%0.28637%0.368SS..THydrogen-bonded Turntrans-56.5147173.4-22.433.7000112.3M93 F145 S148 T149P91-M93 VanDerWaalsContact C-N 3.3Å; P91-F145 HydrophobicContact CG-CD2 3.77Å; P91-F145 HydrophobicContact CG-CE2 3.82Å; P91-F145 HydrophobicContact CG-CG 4.25Å; P91-F145 HydrophobicContact CG-CZ 4.3Å; P91-S148 VanDerWaalsContact CB-CB 3.47Å; P91-S148 WeakPolarHBondContact CB-O 3.18Å; P91-T149 HydrophobicContact CB-CG2 4.25Å; P91-T149 HydrophobicContact CG-CG2 4.35Å
92G93.8Very high96.6Very high77 Ų7760.2 Ų60.279%0.79436%0.362SS*.THydrogen-bonded Turntrans87-8.4-171.200000114.5
93M95.3Very high96.6Very high86 Ų8661.9 Ų61.942%0.42436%0.364SS..SBendtrans-76.5153.2165.6-67.3179.768.900111.3F89 I90 P91F89-M93 HydrophobicContact CD2-CB 4.45Å; F89-M93 HydrophobicContact CD2-CE 4.5Å; F89-M93 HydrophobicContact CD2-SD 4.36Å; F89-M93 HydrophobicContact CE2-CB 3.95Å; F89-M93 HydrophobicContact CZ-CB 4.14Å; I90-M93 HydrophobicContact CG1-CG 3.88Å; I90-M93 HydrophobicContact CG1-SD 3.73Å; I90-M93 PolarHBondContact N-SD 3.42Å; I90-M93 VanDerWaalsContact N-SD 3.38Å; I90-M93 WeakPolarHBondContact O-CB 3.44Å; I90-M93 VanDerWaalsContact O-CG 3.29Å; I90-M93 WeakPolarHBondContact O-CG 3.25Å; I90-M93 PolarHBondContact O-N 2.9Å; P91-M93 VanDerWaalsContact C-N 3.3Å
94A94.6Very high96.6Very high45 Ų4560.7 Ų60.737%0.37236%0.357SS..PPolyproline II helixtrans-54150.8171.200000113E28 F89E28-A94 HydrophobicContact CG-CB 3.95Å; E28-A94 WeakPolarHBondContact OE1-CA 3.42Å; E28-A94 WeakPolarHBondContact OE1-CB 3.44Å; E28-A94 VanDerWaalsContact OE2-CB 3.22Å; E28-A94 WeakPolarHBondContact OE2-CB 3.27Å; F89-A94 WeakPolarHBondContact CE2-O 3.43Å
95F95.8Very high96.6Very high3 Ų360.7 Ų60.71%0.01336%0.357CS..PPolyproline II helixtrans-58.4126173-166.4-92.4000109.8E28 R31 L32 Y35 V102 L105 F151E28-F95 HydrophobicContact CG-CB 4.42Å; E28-F95 PolarHBondContact OE1-N 3.43Å; R31-F95 HydrophobicContact CB-CD1 3.97Å; R31-F95 PolarHBondContact NE-O 3.12Å; R31-F95 PolarHBondContact NH2-O 2.82Å; L32-F95 HydrophobicContact CB-CB 4.02Å; L32-F95 HydrophobicContact CB-CG 4.18Å; L32-F95 HydrophobicContact CD1-CB 4.34Å; L32-F95 HydrophobicContact CD1-CD2 3.65Å; L32-F95 HydrophobicContact CD1-CE2 4.2Å; L32-F95 HydrophobicContact CD1-CG 4.08Å; Y35-F95 VanDerWaalsContact CB-CZ 3.46Å; Y35-F95 AromaticContact CD1-CE2 3.67Å; Y35-F95 HydrophobicContact CD1-CE2 3.67Å; Y35-F95 AromaticContact CD1-CZ 3.88Å; Y35-F95 HydrophobicContact CD1-CZ 3.88Å; Y35-F95 HydrophobicContact CD2-CE2 4.35Å; Y35-F95 AromaticContact CD2-CZ 3.88Å; Y35-F95 HydrophobicContact CD2-CZ 3.88Å; Y35-F95 HydrophobicContact CE1-CE2 4.24Å; Y35-F95 HydrophobicContact CG-CE1 4.33Å; Y35-F95 AromaticContact CG-CE2 3.74Å; Y35-F95 HydrophobicContact CG-CE2 3.74Å; Y35-F95 AromaticContact CG-CZ 3.42Å; Y35-F95 HydrophobicContact CG-CZ 3.42Å; Y35-F95 VanDerWaalsContact CG-CZ 3.42Å; F95-V102 HydrophobicContact CE1-CG1 4.19Å; F95-V102 HydrophobicContact CE1-CG2 3.88Å; F95-V102 HydrophobicContact CZ-CG1 4.22Å; F95-V102 HydrophobicContact CZ-CG2 4.44Å; F95-L105 HydrophobicContact CE2-CD1 4.34Å; F95-F151 HydrophobicContact CB-CE1 4.09Å; F95-F151 HydrophobicContact CB-CZ 3.99Å; F95-F151 HydrophobicContact CD2-CD1 4.14Å; F95-F151 AromaticContact CD2-CD2 3.78Å; F95-F151 HydrophobicContact CD2-CD2 3.78Å; F95-F151 HydrophobicContact CD2-CE1 4.13Å; F95-F151 AromaticContact CD2-CE2 3.77Å; F95-F151 HydrophobicContact CD2-CE2 3.77Å; F95-F151 AromaticContact CD2-CG 3.99Å; F95-F151 HydrophobicContact CD2-CG 3.99Å; F95-F151 AromaticContact CD2-CZ 3.96Å; F95-F151 HydrophobicContact CD2-CZ 3.96Å; F95-F151 HydrophobicContact CE2-CD2 4.22Å; F95-F151 HydrophobicContact CE2-CG 4.5Å; F95-F151 HydrophobicContact CG-CZ 4.48Å
96P96.1Very high96.6Very high8 Ų856.5 Ų56.55%0.05234%0.339CS..PPolyproline II helixtrans-68.7156-163.425.7-33000112.5R31 F89 Q101 V102 L105R31-P96 PolarHBondContact NE-O 3.17Å; F89-P96 HydrophobicContact CD2-CB 4.4Å; F89-P96 HydrophobicContact CD2-CG 4.49Å; F89-P96 HydrophobicContact CE2-CB 4.21Å; F89-P96 HydrophobicContact CE2-CG 4.11Å; P96-Q101 HydrophobicContact CB-CB 3.65Å; P96-Q101 HydrophobicContact CB-CG 4.49Å; P96-Q101 HydrophobicContact CG-CB 3.7Å; P96-V102 HydrophobicContact CB-CG2 4.42Å; P96-V102 HydrophobicContact CG-CG2 3.87Å; P96-V102 WeakPolarHBondContact O-CG2 3.46Å; P96-L105 HydrophobicContact CG-CD1 3.49Å; P96-L105 VanDerWaalsContact CG-CD1 3.49Å
97A94.9Very high96.6Very high77 Ų7752.6 Ų52.664%0.63632%0.322SS*.SBendtrans-96.4-23.5169.800000112L99A97-L99 PolarHBondContact O-N 2.98Å
98D96.2Very high96.6Very high82 Ų8250.3 Ų50.344%0.43931%0.306SS..SBendtrans-69.4123.4176.3176.569.8000110.3R100 Q101 V102D98-R100 VanDerWaalsContact C-N 3.26Å; D98-R100 PolarHBondContact O-N 3.18Å; D98-R100 WeakPolarHBondContact OD2-CA 3.28Å; D98-R100 VanDerWaalsContact OD2-CB 3.3Å; D98-R100 WeakPolarHBondContact OD2-CB 3.33Å; D98-R100 PolarHBondContact OD2-N 3.41Å; D98-R100 VanDerWaalsContact OD2-N 3.17Å; D98-Q101 HydrophobicContact CB-CB 4.29Å; D98-Q101 HydrophobicContact CB-CG 4.21Å; D98-Q101 PolarHBondContact O-N 3.3Å; D98-Q101 PolarHBondContact OD2-N 3.08Å; D98-V102 WeakPolarHBondContact O-CG2 3.35Å; D98-V102 PolarHBondContact O-N 3.28Å
99L95.8Very high96.7Very high119 Ų11948 Ų4862%0.62328%0.282SS*.Hα-helixtrans-62.9-34.5-174.7-175.462.7000112A97 Q101 V102 D103A97-L99 PolarHBondContact O-N 2.98Å; L99-Q101 VanDerWaalsContact C-N 3.35Å; L99-Q101 PolarHBondContact O-N 3.47Å; L99-V102 PolarHBondContact O-N 3.21Å; L99-D103 WeakPolarHBondContact O-CB 3.22Å; L99-D103 VanDerWaalsContact O-CG 3.29Å; L99-D103 PolarHBondContact O-N 2.94Å
100R97.4Very high96.7Very high132 Ų13248.8 Ų48.850%0.49829%0.286SS..Hα-helixtrans-66.7-38.3179.1-177.6-178.3176-159.1-7111V83 E86 D98 A104V83-R100 HydrophobicContact CG1-CG 3.71Å; E86-R100 IonicContact OE1-NH1 3.8Å; E86-R100 IonicContact OE1-NH2 3.95Å; E86-R100 IonicContact OE2-CZ 3.63Å; E86-R100 IonicContact OE2-NH1 3.76Å; E86-R100 IonicContact OE2-NH2 2.73Å; E86-R100 PolarHBondContact OE2-NH2 3.45Å; D98-R100 VanDerWaalsContact C-N 3.26Å; D98-R100 PolarHBondContact O-N 3.18Å; D98-R100 WeakPolarHBondContact OD2-CA 3.28Å; D98-R100 VanDerWaalsContact OD2-CB 3.3Å; D98-R100 WeakPolarHBondContact OD2-CB 3.33Å; D98-R100 PolarHBondContact OD2-N 3.41Å; D98-R100 VanDerWaalsContact OD2-N 3.17Å; R100-A104 WeakPolarHBondContact O-CB 3.08Å; R100-A104 PolarHBondContact O-N 3.34Å; R100-A104 VanDerWaalsContact O-N 3.16Å
101Q97.8Very high96.8Very high30 Ų3043.8 Ų43.814%0.1426%0.261CS..Hα-helixtrans-67.7-42.4171.1-69.9179.1-23.500112.5S87 P96 D98 L99 A104 L105S87-Q101 PolarHBondContact OG-NE2 2.99Å; P96-Q101 HydrophobicContact CB-CB 3.65Å; P96-Q101 HydrophobicContact CB-CG 4.49Å; P96-Q101 HydrophobicContact CG-CB 3.7Å; D98-Q101 HydrophobicContact CB-CB 4.29Å; D98-Q101 HydrophobicContact CB-CG 4.21Å; D98-Q101 PolarHBondContact O-N 3.3Å; D98-Q101 PolarHBondContact OD2-N 3.08Å; L99-Q101 VanDerWaalsContact C-N 3.35Å; L99-Q101 PolarHBondContact O-N 3.47Å; Q101-A104 PolarHBondContact O-N 3.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.36Å; Q101-L105 PolarHBondContact O-N 2.87Å
102V97.7Very high96.9Very high28 Ų2841.7 Ų41.717%0.1725%0.247CC..Hα-helixtrans-59.3-47.6177171.70000110.8F95 P96 D98 L99 A104 L105 S106F95-V102 HydrophobicContact CE1-CG1 4.19Å; F95-V102 HydrophobicContact CE1-CG2 3.88Å; F95-V102 HydrophobicContact CZ-CG1 4.22Å; F95-V102 HydrophobicContact CZ-CG2 4.44Å; P96-V102 HydrophobicContact CB-CG2 4.42Å; P96-V102 HydrophobicContact CG-CG2 3.87Å; P96-V102 WeakPolarHBondContact O-CG2 3.46Å; D98-V102 WeakPolarHBondContact O-CG2 3.35Å; D98-V102 PolarHBondContact O-N 3.28Å; L99-V102 PolarHBondContact O-N 3.21Å; V102-A104 PolarHBondContact O-N 3.47Å; V102-L105 PolarHBondContact O-N 3.16Å; V102-S106 WeakPolarHBondContact O-CB 3.43Å; V102-S106 PolarHBondContact O-N 2.87Å; V102-S106 PolarHBondContact O-OG 3.26Å
103D97.9Very high97.1Very high86 Ų8638 Ų3846%0.4621%0.209SC..Hα-helixtrans-61.9-44.4179.3-72.5-16.5000111.2L99 S106 I107L99-D103 WeakPolarHBondContact O-CB 3.22Å; L99-D103 VanDerWaalsContact O-CG 3.29Å; L99-D103 PolarHBondContact O-N 2.94Å; D103-S106 PolarHBondContact O-N 3.12Å; D103-I107 VanDerWaalsContact O-CG1 3.28Å; D103-I107 WeakPolarHBondContact O-CG1 3.48Å; D103-I107 PolarHBondContact O-N 2.76Å
104A98.3Very high97.3Very high5 Ų534.6 Ų34.64%0.04119%0.192CC..Hα-helixtrans-64.5-45.5177.900000112.4A80 V83 L84 R100 Q101 V102 S106 I107 L108A80-A104 HydrophobicContact CB-CB 4.37Å; A80-A104 WeakPolarHBondContact CB-O 3.25Å; V83-A104 HydrophobicContact CB-CB 3.89Å; V83-A104 HydrophobicContact CG1-CB 3.68Å; L84-A104 HydrophobicContact CD2-CB 3.95Å; L84-A104 HydrophobicContact CG-CB 3.92Å; R100-A104 WeakPolarHBondContact O-CB 3.08Å; R100-A104 PolarHBondContact O-N 3.34Å; R100-A104 VanDerWaalsContact O-N 3.16Å; Q101-A104 PolarHBondContact O-N 3.29Å; V102-A104 PolarHBondContact O-N 3.47Å; A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 2.91Å; A104-I107 PolarHBondContact O-N 3.15Å; A104-L108 WeakPolarHBondContact O-CB 3.24Å; A104-L108 PolarHBondContact O-N 3.33Å
105L98Very high97.4Very high0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-60.5-44174.6-80.6176.9000111.8L84 F89 F95 P96 Q101 V102 I107 L108 L109 F145 F151L84-L105 HydrophobicContact CD1-CD2 3.82Å; L84-L105 HydrophobicContact CD1-CG 4.34Å; L84-L105 HydrophobicContact CD2-CD2 4.04Å; L84-L105 HydrophobicContact CD2-CG 3.81Å; F89-L105 HydrophobicContact CD1-CD2 4.22Å; F89-L105 HydrophobicContact CE1-CD1 3.94Å; F89-L105 HydrophobicContact CE1-CD2 3.81Å; F89-L105 HydrophobicContact CE1-CG 4.35Å; F89-L105 HydrophobicContact CE2-CD1 4.13Å; F89-L105 HydrophobicContact CZ-CD1 3.72Å; F89-L105 HydrophobicContact CZ-CD2 4.41Å; F95-L105 HydrophobicContact CE2-CD1 4.34Å; P96-L105 HydrophobicContact CG-CD1 3.49Å; P96-L105 VanDerWaalsContact CG-CD1 3.49Å; Q101-L105 WeakPolarHBondContact O-CB 3.36Å; Q101-L105 PolarHBondContact O-N 2.87Å; V102-L105 PolarHBondContact O-N 3.16Å; L105-I107 PolarHBondContact O-N 3.25Å; L105-L108 PolarHBondContact O-N 3.31Å; L105-L108 VanDerWaalsContact O-N 3.16Å; L105-L109 HydrophobicContact CB-CD1 4.46Å; L105-L109 WeakPolarHBondContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.32Å; L105-L109 PolarHBondContact O-N 3.14Å; L105-F145 HydrophobicContact CD2-CE1 3.8Å; L105-F145 HydrophobicContact CD2-CZ 4.32Å; L105-F151 HydrophobicContact CD1-CD2 4.34Å; L105-F151 HydrophobicContact CD1-CE2 4.01Å
106S97.7Very high97.5Very high17 Ų1732.3 Ų32.312%0.11917%0.174CC..Hα-helixtrans-59.9-48.4179.4-57.10000110.6Y35 V102 D103 A104 L108 L109 E110Y35-S106 WeakPolarHBondContact CD2-OG 3.43Å; Y35-S106 VanDerWaalsContact CE2-OG 3.26Å; Y35-S106 WeakPolarHBondContact CE2-OG 3.36Å; V102-S106 WeakPolarHBondContact O-CB 3.43Å; V102-S106 PolarHBondContact O-N 2.87Å; V102-S106 PolarHBondContact O-OG 3.26Å; D103-S106 PolarHBondContact O-N 3.12Å; A104-S106 VanDerWaalsContact C-N 3.34Å; A104-S106 PolarHBondContact O-N 2.91Å; S106-L108 VanDerWaalsContact C-N 3.29Å; S106-L108 PolarHBondContact O-N 3.46Å; S106-L109 PolarHBondContact O-N 3.02Å; S106-E110 VanDerWaalsContact O-CB 3.22Å; S106-E110 WeakPolarHBondContact O-CB 3.45Å; S106-E110 WeakPolarHBondContact O-CG 3.5Å; S106-E110 PolarHBondContact O-N 3.45Å
107I97.7Very high97.6Very high57 Ų5732.3 Ų32.329%0.29217%0.173SC..Hα-helixtrans-57.4-44.7175.4-71165.6000111R76 A80 D103 A104 L105 S111R76-I107 HydrophobicContact CB-CG2 3.85Å; A80-I107 HydrophobicContact CB-CB 4.18Å; A80-I107 HydrophobicContact CB-CG2 3.9Å; D103-I107 VanDerWaalsContact O-CG1 3.28Å; D103-I107 WeakPolarHBondContact O-CG1 3.48Å; D103-I107 PolarHBondContact O-N 2.76Å; A104-I107 PolarHBondContact O-N 3.15Å; L105-I107 PolarHBondContact O-N 3.25Å; I107-S111 WeakPolarHBondContact O-CB 3.26Å; I107-S111 PolarHBondContact O-N 2.85Å; I107-S111 PolarHBondContact O-OG 3.07Å
108L97.8Very high97.8Very high0 Ų028.6 Ų28.60%014%0.142CC..Hα-helixtrans-67.1-49.3-176.1-165.172.7000111.7I77 A80 L84 A104 L105 S106 T112 W141 F145I77-L108 HydrophobicContact CB-CD1 4.35Å; I77-L108 HydrophobicContact CG1-CD1 4.31Å; I77-L108 HydrophobicContact CG2-CD1 3.91Å; A80-L108 HydrophobicContact CB-CB 4.25Å; A80-L108 HydrophobicContact CB-CD1 4.33Å; L84-L108 HydrophobicContact CD1-CD2 3.94Å; A104-L108 WeakPolarHBondContact O-CB 3.24Å; A104-L108 PolarHBondContact O-N 3.33Å; L105-L108 PolarHBondContact O-N 3.31Å; L105-L108 VanDerWaalsContact O-N 3.16Å; S106-L108 VanDerWaalsContact C-N 3.29Å; S106-L108 PolarHBondContact O-N 3.46Å; L108-T112 WeakPolarHBondContact O-CB 3.26Å; L108-T112 PolarHBondContact O-N 3.34Å; L108-T112 PolarHBondContact O-OG1 2.87Å; L108-W141 HydrophobicContact CD1-CZ3 3.74Å; L108-W141 HydrophobicContact CD2-CH2 3.98Å; L108-W141 HydrophobicContact CD2-CZ3 3.75Å; L108-W141 HydrophobicContact CG-CZ3 4.39Å; L108-F145 HydrophobicContact CD2-CD1 3.32Å; L108-F145 HydrophobicContact CD2-CE1 3.66Å; L108-F145 HydrophobicContact CD2-CG 4.09Å
109L98.2Very high97.9Very high0 Ų024.7 Ų24.70%012%0.121CC..Hα-helixtrans-62.9-46.9178.6-71.5163.3000110.9Y35 F39 L105 S106 A113 C146 F151 Y152Y35-L109 HydrophobicContact CE1-CD1 3.79Å; Y35-L109 WeakPolarHBondContact OH-CB 3.24Å; Y35-L109 WeakPolarHBondContact OH-CD1 3.35Å; F39-L109 HydrophobicContact CE2-CB 4.23Å; L105-L109 HydrophobicContact CB-CD1 4.46Å; L105-L109 WeakPolarHBondContact O-CB 3.29Å; L105-L109 WeakPolarHBondContact O-CG 3.32Å; L105-L109 PolarHBondContact O-N 3.14Å; S106-L109 PolarHBondContact O-N 3.02Å; L109-A113 VanDerWaalsContact O-CB 3.26Å; L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 3Å; L109-C146 HydrophobicContact CD2-CB 3.82Å; L109-F151 HydrophobicContact CD1-CB 3.81Å; L109-F151 HydrophobicContact CD1-CD2 4.36Å; L109-F151 HydrophobicContact CD2-CB 4.4Å; L109-Y152 HydrophobicContact CB-CE1 3.8Å; L109-Y152 HydrophobicContact CD2-CD1 3.95Å; L109-Y152 HydrophobicContact CD2-CD2 4.37Å; L109-Y152 HydrophobicContact CD2-CE1 3.51Å; L109-Y152 HydrophobicContact CD2-CE2 3.97Å; L109-Y152 HydrophobicContact CD2-CG 4.36Å; L109-Y152 HydrophobicContact CG-CE1 4.27Å; L109-Y152 WeakPolarHBondContact O-CE1 3.11Å; L109-Y152 PolarHBondContact O-OH 3.49Å
110E97.8Very high97.9Very high24 Ų2419 Ų1911%0.1129%0.092CC..Hα-helixtrans-64.7-43.9179.4-71.5171.6-165.800113.1F39 K42 Q46 S106 F114F39-E110 HydrophobicContact CD2-CG 3.76Å; F39-E110 HydrophobicContact CE2-CG 3.94Å; K42-E110 HydrophobicContact CB-CG 4.44Å; Q46-E110 PolarHBondContact NE2-O 3.41Å; S106-E110 VanDerWaalsContact O-CB 3.22Å; S106-E110 WeakPolarHBondContact O-CB 3.45Å; S106-E110 WeakPolarHBondContact O-CG 3.5Å; S106-E110 PolarHBondContact O-N 3.45Å; E110-F114 WeakPolarHBondContact O-CB 3.44Å; E110-F114 PolarHBondContact O-N 2.88Å
111S97.8Very high97.9Very high0 Ų014.7 Ų14.70%08%0.075CC..Hα-helixtrans-71.7-39-178.1-53.50000111R76 I107 F114 F115R76-S111 PolarHBondContact NH1-OG 2.99Å; I107-S111 WeakPolarHBondContact O-CB 3.26Å; I107-S111 PolarHBondContact O-N 2.85Å; I107-S111 PolarHBondContact O-OG 3.07Å; S111-F114 PolarHBondContact O-N 3.14Å; S111-F115 WeakPolarHBondContact O-CB 3.34Å; S111-F115 PolarHBondContact O-N 2.73Å
112T98.4Very high97.9Very high0 Ų013.2 Ų13.20%07%0.069CC..Hα-helixtrans-68.5-44.3178.9-58.60000111.2L108 F114 F115 G116 S142 I143 C146 M160L108-T112 WeakPolarHBondContact O-CB 3.26Å; L108-T112 PolarHBondContact O-N 3.34Å; L108-T112 PolarHBondContact O-OG1 2.87Å; T112-F114 VanDerWaalsContact C-N 3.33Å; T112-F114 PolarHBondContact O-N 3.05Å; T112-F115 PolarHBondContact O-N 3.31Å; T112-G116 PolarHBondContact O-N 2.7Å; T112-S142 VanDerWaalsContact OG1-CB 3.24Å; T112-S142 WeakPolarHBondContact OG1-CB 3.49Å; T112-S142 PolarHBondContact OG1-OG 2.82Å; T112-I143 HydrophobicContact CG2-CB 4.44Å; T112-I143 HydrophobicContact CG2-CG1 3.79Å; T112-C146 HydrophobicContact CG2-CB 4.47Å; T112-M160 HydrophobicContact CG2-CE 3.65Å
113A98.3Very high97.8Very high0 Ų012.5 Ų12.50%06%0.064CC..Hα-helixtrans-62.8-39.4174.500000112.3F39 L109 G116 E117 Y152 T156F39-A113 HydrophobicContact CZ-CB 4.14Å; L109-A113 VanDerWaalsContact O-CB 3.26Å; L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 3Å; A113-G116 PolarHBondContact O-N 2.97Å; A113-E117 PolarHBondContact O-N 2.87Å; A113-E117 VanDerWaalsContact O-N 3.15Å; A113-Y152 HydrophobicContact CB-CE1 3.98Å; A113-T156 HydrophobicContact CB-CG2 3.66Å
114F98.3Very high97.7Very high14 Ų1412 Ų126%0.0616%0.059CC..Hα-helixtrans-68.4-39.5177.1-171.7-131.1000112.6Q46 M49 L69 M73 E110 S111 T112 G116 E117 L118Q46-F114 HydrophobicContact CB-CD2 3.81Å; Q46-F114 HydrophobicContact CB-CE2 4.04Å; Q46-F114 HydrophobicContact CG-CD2 3.96Å; Q46-F114 HydrophobicContact CG-CE2 4.36Å; Q46-F114 HydrophobicContact CG-CG 4.23Å; M49-F114 HydrophobicContact SD-CZ 4.1Å; L69-F114 HydrophobicContact CB-CE1 4.39Å; L69-F114 HydrophobicContact CD1-CE1 4.02Å; L69-F114 HydrophobicContact CD1-CZ 3.96Å; L69-F114 HydrophobicContact CD2-CE1 3.99Å; L69-F114 HydrophobicContact CD2-CZ 4.49Å; L69-F114 HydrophobicContact CG-CE1 4.35Å; M73-F114 HydrophobicContact CE-CD1 4.13Å; M73-F114 HydrophobicContact SD-CB 4.21Å; M73-F114 HydrophobicContact SD-CD1 3.67Å; M73-F114 HydrophobicContact SD-CG 4.38Å; E110-F114 WeakPolarHBondContact O-CB 3.44Å; E110-F114 PolarHBondContact O-N 2.88Å; S111-F114 PolarHBondContact O-N 3.14Å; T112-F114 VanDerWaalsContact C-N 3.33Å; T112-F114 PolarHBondContact O-N 3.05Å; F114-G116 PolarHBondContact O-N 3.16Å; F114-E117 WeakPolarHBondContact O-CB 3.25Å; F114-E117 PolarHBondContact O-N 3.4Å; F114-L118 HydrophobicContact CE1-CD1 4.39Å; F114-L118 HydrophobicContact CE2-CD2 4.39Å; F114-L118 HydrophobicContact CZ-CD2 4.2Å; F114-L118 PolarHBondContact O-N 3.48Å; F114-L118 VanDerWaalsContact O-N 3.07Å
115F98.4Very high97.5Very high0 Ų012.6 Ų12.60%06%0.061CC..Hα-helixtrans-58.9-38.7170.3176.8-100.2000111.8I70 M73 S111 T112 E117 L118 A119 V126 W130 F139 I143 L167I70-F115 HydrophobicContact CD1-CE2 4.3Å; I70-F115 HydrophobicContact CG1-CD2 4.24Å; I70-F115 HydrophobicContact CG1-CE2 4.21Å; M73-F115 HydrophobicContact CE-CB 4.07Å; M73-F115 HydrophobicContact CE-CD2 4.31Å; M73-F115 HydrophobicContact SD-CB 4.24Å; S111-F115 WeakPolarHBondContact O-CB 3.34Å; S111-F115 PolarHBondContact O-N 2.73Å; T112-F115 PolarHBondContact O-N 3.31Å; F115-E117 PolarHBondContact O-N 2.99Å; F115-L118 PolarHBondContact O-N 3.36Å; F115-L118 VanDerWaalsContact O-N 3.15Å; F115-A119 WeakPolarHBondContact O-CB 3.4Å; F115-A119 PolarHBondContact O-N 3.47Å; F115-V126 HydrophobicContact CE2-CG1 3.72Å; F115-V126 HydrophobicContact CZ-CG1 3.56Å; F115-W130 HydrophobicContact CE1-CE3 4.34Å; F115-W130 AromaticContact CE1-CZ3 3.8Å; F115-W130 HydrophobicContact CE1-CZ3 3.8Å; F115-W130 AromaticContact CZ-CE3 3.84Å; F115-W130 HydrophobicContact CZ-CE3 3.84Å; F115-W130 AromaticContact CZ-CZ3 3.71Å; F115-W130 HydrophobicContact CZ-CZ3 3.71Å; F115-F139 HydrophobicContact CB-CD1 3.83Å; F115-F139 HydrophobicContact CB-CE1 3.37Å; F115-F139 HydrophobicContact CB-CZ 4.16Å; F115-F139 HydrophobicContact CD1-CB 4.35Å; F115-F139 AromaticContact CD1-CD1 3.5Å; F115-F139 HydrophobicContact CD1-CD1 3.5Å; F115-F139 VanDerWaalsContact CD1-CD1 3.5Å; F115-F139 AromaticContact CD1-CE1 3.9Å; F115-F139 HydrophobicContact CD1-CE1 3.9Å; F115-F139 AromaticContact CD1-CG 3.98Å; F115-F139 HydrophobicContact CD1-CG 3.98Å; F115-F139 AromaticContact CD2-CD1 3.76Å; F115-F139 HydrophobicContact CD2-CD1 3.76Å; F115-F139 HydrophobicContact CD2-CD2 4.16Å; F115-F139 AromaticContact CD2-CE1 3.41Å; F115-F139 HydrophobicContact CD2-CE1 3.41Å; F115-F139 VanDerWaalsContact CD2-CE1 3.41Å; F115-F139 AromaticContact CD2-CE2 3.86Å; F115-F139 HydrophobicContact CD2-CE2 3.86Å; F115-F139 HydrophobicContact CD2-CG 4.13Å; F115-F139 AromaticContact CD2-CZ 3.47Å; F115-F139 HydrophobicContact CD2-CZ 3.47Å; F115-F139 VanDerWaalsContact CD2-CZ 3.47Å; F115-F139 HydrophobicContact CE1-CB 4.01Å; F115-F139 AromaticContact CE1-CD1 3.94Å; F115-F139 HydrophobicContact CE1-CD1 3.94Å; F115-F139 AromaticContact CE1-CG 3.91Å; F115-F139 HydrophobicContact CE1-CG 3.91Å; F115-F139 HydrophobicContact CE2-CD1 4.18Å; F115-F139 AromaticContact CE2-CD2 3.91Å; F115-F139 HydrophobicContact CE2-CD2 3.91Å; F115-F139 HydrophobicContact CE2-CE1 4.14Å; F115-F139 AromaticContact CE2-CE2 3.89Å; F115-F139 HydrophobicContact CE2-CE2 3.89Å; F115-F139 HydrophobicContact CE2-CG 4.07Å; F115-F139 HydrophobicContact CE2-CZ 4Å; F115-F139 AromaticContact CG-CD1 3.39Å; F115-F139 HydrophobicContact CG-CD1 3.39Å; F115-F139 AromaticContact CG-CE1 3.26Å; F115-F139 HydrophobicContact CG-CE1 3.26Å; F115-F139 HydrophobicContact CG-CE2 4.48Å; F115-F139 HydrophobicContact CG-CG 4.08Å; F115-F139 AromaticContact CG-CZ 3.87Å; F115-F139 HydrophobicContact CG-CZ 3.87Å; F115-F139 HydrophobicContact CZ-CB 4.28Å; F115-F139 HydrophobicContact CZ-CD1 4.26Å; F115-F139 HydrophobicContact CZ-CD2 4.1Å; F115-F139 AromaticContact CZ-CG 3.97Å; F115-F139 HydrophobicContact CZ-CG 3.97Å; F115-I143 HydrophobicContact CD1-CD1 4.49Å; F115-I143 HydrophobicContact CE1-CD1 4.34Å; F115-L167 HydrophobicContact CE1-CD1 3.88Å
116G98.1Very high97.5Very high0 Ų012.7 Ų12.70%06%0.062CC..Hα-helixtrans-56.4-46173.700000113.3T112 A113 F114 A119 L120T112-G116 PolarHBondContact O-N 2.7Å; A113-G116 PolarHBondContact O-N 2.97Å; F114-G116 PolarHBondContact O-N 3.16Å; G116-A119 PolarHBondContact O-N 2.98Å; G116-L120 WeakPolarHBondContact O-CB 3.13Å; G116-L120 VanDerWaalsContact O-CG 3.28Å; G116-L120 WeakPolarHBondContact O-CG 3.42Å; G116-L120 PolarHBondContact O-N 3.48Å
117E97.8Very high97.5Very high7 Ų717.3 Ų17.33%0.0338%0.082CC..Hα-helixtrans-59.9-46.5173.3-64.4-81.2-173.900111.5R43 L50 A113 F114 F115 A119 L120 Y121 L159R43-E117 IonicContact CZ-OE1 2.99Å; R43-E117 IonicContact NH2-OE1 3.3Å; R43-E117 PolarHBondContact NH2-OE1 3.41Å; L50-E117 HydrophobicContact CD2-CB 4.02Å; L50-E117 HydrophobicContact CD2-CG 4.43Å; L50-E117 WeakPolarHBondContact CD2-OE2 3.25Å; A113-E117 PolarHBondContact O-N 2.87Å; A113-E117 VanDerWaalsContact O-N 3.15Å; F114-E117 WeakPolarHBondContact O-CB 3.25Å; F114-E117 PolarHBondContact O-N 3.4Å; F115-E117 PolarHBondContact O-N 2.99Å; E117-A119 VanDerWaalsContact C-N 3.32Å; E117-A119 PolarHBondContact O-N 3.39Å; E117-L120 PolarHBondContact O-N 2.85Å; E117-Y121 WeakPolarHBondContact O-CB 3.41Å; E117-Y121 VanDerWaalsContact O-CD2 3.27Å; E117-Y121 WeakPolarHBondContact O-CD2 3.14Å; E117-Y121 PolarHBondContact O-N 3.16Å; E117-Y121 WeakPolarHBondContact OE2-CE2 3.37Å; E117-L159 HydrophobicContact CG-CD1 4.44Å; E117-L159 HydrophobicContact CG-CD2 3.87Å
118L98Very high97.4Very high0 Ų016.5 Ų16.50%08%0.083CC..Hα-helixtrans-61-42.9179-62.4-175.1000111.7L50 L53 L69 I70 M73 F114 F115 L120 F122 V126L50-L118 HydrophobicContact CD1-CD2 4.13Å; L53-L118 HydrophobicContact CD2-CD2 4.29Å; L69-L118 HydrophobicContact CB-CD1 3.77Å; L69-L118 HydrophobicContact CD1-CD1 4.12Å; L69-L118 HydrophobicContact CD1-CD2 4.12Å; I70-L118 HydrophobicContact CG1-CD1 4.38Å; M73-L118 HydrophobicContact CE-CD1 3.62Å; F114-L118 HydrophobicContact CE1-CD1 4.39Å; F114-L118 HydrophobicContact CE2-CD2 4.39Å; F114-L118 HydrophobicContact CZ-CD2 4.2Å; F114-L118 PolarHBondContact O-N 3.48Å; F114-L118 VanDerWaalsContact O-N 3.07Å; F115-L118 PolarHBondContact O-N 3.36Å; F115-L118 VanDerWaalsContact O-N 3.15Å; L118-L120 VanDerWaalsContact C-N 3.3Å; L118-L120 PolarHBondContact O-N 3.34Å; L118-F122 HydrophobicContact CD2-CD2 4.43Å; L118-F122 CarbonylContact O-C 3.59Å; L118-F122 WeakPolarHBondContact O-CA 3.15Å; L118-F122 WeakPolarHBondContact O-CB 3.33Å; L118-F122 PolarHBondContact O-N 3.49Å; L118-V126 HydrophobicContact CB-CG2 4.15Å; L118-V126 WeakPolarHBondContact O-CG2 3.46Å
119A97.9Very high97.4Very high0 Ų018.7 Ų18.70%09%0.091CC..Hα-helixtrans-64.5-35.1178.900000112.5F115 G116 E117 P123 V126 L163F115-A119 WeakPolarHBondContact O-CB 3.4Å; F115-A119 PolarHBondContact O-N 3.47Å; G116-A119 PolarHBondContact O-N 2.98Å; E117-A119 VanDerWaalsContact C-N 3.32Å; E117-A119 PolarHBondContact O-N 3.39Å; A119-P123 WeakPolarHBondContact O-CA 3.49Å; A119-P123 WeakPolarHBondContact O-CB 3.26Å; A119-V126 HydrophobicContact CB-CB 4.26Å; A119-V126 HydrophobicContact CB-CG1 3.86Å; A119-V126 HydrophobicContact CB-CG2 4.31Å; A119-L163 HydrophobicContact CB-CD1 3.4Å
120L97.4Very high97.4Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-81.3-38.9-179.1-71169.7000112.6G116 E117 L118 L159 L162 E166 N178 Y180G116-L120 WeakPolarHBondContact O-CB 3.13Å; G116-L120 VanDerWaalsContact O-CG 3.28Å; G116-L120 WeakPolarHBondContact O-CG 3.42Å; G116-L120 PolarHBondContact O-N 3.48Å; E117-L120 PolarHBondContact O-N 2.85Å; L118-L120 VanDerWaalsContact C-N 3.3Å; L118-L120 PolarHBondContact O-N 3.34Å; L120-L159 HydrophobicContact CD1-CD1 3.4Å; L120-L159 HydrophobicContact CD1-CG 3.89Å; L120-L162 HydrophobicContact CD1-CB 4.15Å; L120-L162 HydrophobicContact CD2-CB 4.1Å; L120-E166 HydrophobicContact CD2-CB 4.03Å; L120-E166 HydrophobicContact CD2-CG 4.41Å; L120-N178 PolarHBondContact O-ND2 3.41Å; L120-N178 PolarHBondContact O-OD1 2.96Å; L120-Y180 HydrophobicContact CB-CD2 3.99Å; L120-Y180 HydrophobicContact CB-CG 4.32Å; L120-Y180 HydrophobicContact CD1-CD2 3.9Å; L120-Y180 HydrophobicContact CD1-CE2 4.18Å; L120-Y180 HydrophobicContact CD2-CD2 4.5Å; L120-Y180 HydrophobicContact CG-CD2 4.36Å; L120-Y180 CarbonylContact O-C 3.58Å
121Y96.8Very high97.3Very high40 Ų4025.8 Ų25.816%0.15712%0.121CC..Hα-helixtrans-82.9-31.9-179.8-78.9-98.3000113.5L50 L54 E117 Y180 K182L50-Y121 HydrophobicContact CD1-CG 4.41Å; L50-Y121 HydrophobicContact CD2-CD1 4.47Å; L50-Y121 HydrophobicContact CD2-CD2 3.74Å; L50-Y121 HydrophobicContact CD2-CE1 4.37Å; L50-Y121 HydrophobicContact CD2-CE2 3.67Å; L50-Y121 HydrophobicContact CD2-CG 4.13Å; L54-Y121 HydrophobicContact CD1-CD1 3.53Å; L54-Y121 HydrophobicContact CD1-CE1 3.64Å; L54-Y121 HydrophobicContact CD1-CG 4.5Å; L54-Y121 HydrophobicContact CD2-CD1 3.84Å; L54-Y121 HydrophobicContact CG-CD1 4.22Å; E117-Y121 WeakPolarHBondContact O-CB 3.41Å; E117-Y121 VanDerWaalsContact O-CD2 3.27Å; E117-Y121 WeakPolarHBondContact O-CD2 3.14Å; E117-Y121 PolarHBondContact O-N 3.16Å; E117-Y121 WeakPolarHBondContact OE2-CE2 3.37Å; Y121-Y180 WeakPolarHBondContact CA-O 3.38Å; Y121-Y180 WeakPolarHBondContact CD1-O 3.37Å; Y121-Y180 HydrophobicContact CD2-CD1 4.5Å; Y121-Y180 HydrophobicContact CD2-CG 4.32Å; Y121-Y180 HydrophobicContact CE1-CD1 4.39Å; Y121-Y180 AromaticContact CE2-CD1 3.56Å; Y121-Y180 HydrophobicContact CE2-CD1 3.56Å; Y121-Y180 HydrophobicContact CE2-CE1 4.4Å; Y121-Y180 AromaticContact CE2-CG 3.78Å; Y121-Y180 HydrophobicContact CE2-CG 3.78Å; Y121-Y180 AromaticContact CZ-CD1 3.53Å; Y121-Y180 WeakPolarHBondContact OH-CD1 3.26Å; Y121-K182 WeakPolarHBondContact O-CB 3.24Å; Y121-K182 PolarHBondContact O-N 2.83Å; Y121-K182 VanDerWaalsContact O-N 3.09Å
122F96.7Very high97.3Very high0 Ų032.4 Ų32.40%015%0.147CC..  trans-127.453.7-176.5-56.1-78.6000112.4L50 L53 L54 H62 V66 L118 E124 F125 V126 K182L50-F122 HydrophobicContact CD1-CE2 3.87Å; L53-F122 HydrophobicContact CD2-CD2 4.38Å; L53-F122 HydrophobicContact CD2-CE2 3.62Å; L53-F122 HydrophobicContact CD2-CZ 3.95Å; L53-F122 HydrophobicContact CG-CE2 3.91Å; L53-F122 HydrophobicContact CG-CZ 3.7Å; L54-F122 HydrophobicContact CD2-CE1 3.97Å; L54-F122 HydrophobicContact CD2-CE2 4.17Å; L54-F122 HydrophobicContact CD2-CZ 3.48Å; L54-F122 VanDerWaalsContact CD2-CZ 3.48Å; L54-F122 HydrophobicContact CG-CE2 4.49Å; L54-F122 HydrophobicContact CG-CZ 3.95Å; H62-F122 HydrophobicContact CB-CD1 4.27Å; H62-F122 HydrophobicContact CB-CE1 4.05Å; H62-F122 AromaticContact CD2-CE1 3.91Å; H62-F122 AromaticContact CG-CE1 3.9Å; V66-F122 HydrophobicContact CG2-CB 4.04Å; V66-F122 HydrophobicContact CG2-CD1 4.38Å; V66-F122 HydrophobicContact CG2-CD2 3.73Å; V66-F122 HydrophobicContact CG2-CE2 4.28Å; V66-F122 HydrophobicContact CG2-CG 3.79Å; L118-F122 HydrophobicContact CD2-CD2 4.43Å; L118-F122 CarbonylContact O-C 3.59Å; L118-F122 WeakPolarHBondContact O-CA 3.15Å; L118-F122 WeakPolarHBondContact O-CB 3.33Å; L118-F122 PolarHBondContact O-N 3.49Å; F122-E124 PolarHBondContact O-N 3.26Å; F122-F125 HydrophobicContact CB-CD2 3.77Å; F122-F125 HydrophobicContact CB-CE2 4.44Å; F122-F125 HydrophobicContact CD1-CD2 4Å; F122-F125 AromaticContact CD1-CE2 3.91Å; F122-F125 HydrophobicContact CD1-CE2 3.91Å; F122-F125 HydrophobicContact CG-CD2 4.22Å; F122-F125 PolarHBondContact O-N 2.87Å; F122-F125 VanDerWaalsContact O-N 3.12Å; F122-V126 PolarHBondContact O-N 2.7Å; F122-V126 VanDerWaalsContact O-N 3.15Å; F122-K182 HydrophobicContact CD1-CD 3.77Å; F122-K182 HydrophobicContact CE1-CB 4.45Å; F122-K182 HydrophobicContact CE1-CD 3.84Å
123P96.4Very high97.3Very high12 Ų1236.9 Ų36.98%0.07817%0.171CC..Hα-helixtrans-58-35.8-171.824.4-34.5000112.8A119 F125 V126 E127 E166 R181A119-P123 WeakPolarHBondContact O-CA 3.49Å; A119-P123 WeakPolarHBondContact O-CB 3.26Å; P123-F125 VanDerWaalsContact C-N 3.33Å; P123-F125 PolarHBondContact O-N 2.9Å; P123-V126 PolarHBondContact O-N 2.88Å; P123-E127 WeakPolarHBondContact O-CB 3.26Å; P123-E127 PolarHBondContact O-N 3.28Å; P123-E166 HydrophobicContact CB-CG 4.5Å; P123-E166 WeakPolarHBondContact CB-OE1 3.22Å; P123-R181 HydrophobicContact CG-CG 4.16Å
124E94.9Very high97.2Very high76 Ų7641.4 Ų41.436%0.35520%0.195SC..Hα-helixtrans-60.8-39.1179.563-79.1-175.300113.3F122 A128 K182F122-E124 PolarHBondContact O-N 3.26Å; E124-A128 PolarHBondContact O-N 2.94Å; E124-K182 WeakPolarHBondContact OE1-CE 3.41Å; E124-K182 IonicContact OE1-NZ 2.75Å; E124-K182 PolarHBondContact OE1-NZ 3.38Å
125F96Very high97.2Very high17 Ų1740.7 Ų40.78%0.07519%0.192CC..Hα-helixtrans-80.1-39.9-179.1-53.1-41.6000110.6D59 H62 E63 V66 F122 P123 A128 R129D59-F125 HydrophobicContact CB-CZ 3.94Å; H62-F125 HydrophobicContact CB-CD2 4.19Å; H62-F125 HydrophobicContact CB-CE2 3.43Å; H62-F125 VanDerWaalsContact CB-CE2 3.43Å; H62-F125 HydrophobicContact CB-CZ 4.12Å; E63-F125 HydrophobicContact CB-CD1 3.64Å; E63-F125 HydrophobicContact CB-CD2 4.31Å; E63-F125 HydrophobicContact CB-CE1 3.72Å; E63-F125 HydrophobicContact CB-CE2 4.41Å; E63-F125 HydrophobicContact CB-CG 3.98Å; E63-F125 HydrophobicContact CB-CZ 4.13Å; E63-F125 HydrophobicContact CG-CD1 3.76Å; E63-F125 HydrophobicContact CG-CE1 4.24Å; E63-F125 HydrophobicContact CG-CG 4.2Å; V66-F125 HydrophobicContact CB-CB 4.4Å; V66-F125 HydrophobicContact CG1-CB 4.04Å; V66-F125 HydrophobicContact CG2-CD2 4.29Å; F122-F125 HydrophobicContact CB-CD2 3.77Å; F122-F125 HydrophobicContact CB-CE2 4.44Å; F122-F125 HydrophobicContact CD1-CD2 4Å; F122-F125 AromaticContact CD1-CE2 3.91Å; F122-F125 HydrophobicContact CD1-CE2 3.91Å; F122-F125 HydrophobicContact CG-CD2 4.22Å; F122-F125 PolarHBondContact O-N 2.87Å; F122-F125 VanDerWaalsContact O-N 3.12Å; P123-F125 VanDerWaalsContact C-N 3.33Å; P123-F125 PolarHBondContact O-N 2.9Å; F125-A128 PolarHBondContact O-N 3.4Å; F125-R129 PolarHBondContact O-N 3.31Å
126V97.8Very high97.2Very high2 Ų245.7 Ų45.71%0.01221%0.211CC..Hα-helixtrans-68-40.9177.1-178.80000111.2V66 I70 F115 L118 A119 F122 P123 A128 R129 W130V66-V126 HydrophobicContact CG1-CG2 4.03Å; I70-V126 HydrophobicContact CD1-CG2 4.17Å; F115-V126 HydrophobicContact CE2-CG1 3.72Å; F115-V126 HydrophobicContact CZ-CG1 3.56Å; L118-V126 HydrophobicContact CB-CG2 4.15Å; L118-V126 WeakPolarHBondContact O-CG2 3.46Å; A119-V126 HydrophobicContact CB-CB 4.26Å; A119-V126 HydrophobicContact CB-CG1 3.86Å; A119-V126 HydrophobicContact CB-CG2 4.31Å; F122-V126 PolarHBondContact O-N 2.7Å; F122-V126 VanDerWaalsContact O-N 3.15Å; P123-V126 PolarHBondContact O-N 2.88Å; V126-A128 VanDerWaalsContact C-N 3.28Å; V126-A128 PolarHBondContact O-N 3.08Å; V126-R129 CarbonylContact O-C 3.54Å; V126-R129 PolarHBondContact O-N 2.86Å; V126-R129 VanDerWaalsContact O-N 3.09Å; V126-W130 WeakPolarHBondContact O-CB 3.3Å; V126-W130 PolarHBondContact O-N 3.03Å
127E96.3Very high97.1Very high115 Ų11547.7 Ų47.754%0.53723%0.227SC..Hα-helixtrans-59.6-39.6176.2-172.1-170.6161.700111.4P123 R129 W130 K131P123-E127 WeakPolarHBondContact O-CB 3.26Å; P123-E127 PolarHBondContact O-N 3.28Å; E127-R129 VanDerWaalsContact C-N 3.31Å; E127-R129 PolarHBondContact O-N 3.46Å; E127-W130 PolarHBondContact O-N 2.77Å; E127-K131 PolarHBondContact O-N 3.16Å
128A97Very high97.2Very high39 Ų3947.9 Ų47.932%0.32223%0.229SC..Hα-helixtrans-59.8-40.9175.500000112.1E124 F125 V126 Y132E124-A128 PolarHBondContact O-N 2.94Å; F125-A128 PolarHBondContact O-N 3.4Å; V126-A128 VanDerWaalsContact C-N 3.28Å; V126-A128 PolarHBondContact O-N 3.08Å; A128-Y132 WeakPolarHBondContact O-CE2 3.33Å
129R97.6Very high97.2Very high47 Ų4747.9 Ų47.918%0.17723%0.229CC..Hα-helixtrans-74.1-36.1175.1-63.2-65.3-74.2132.6-4112.3N67 I70 D71 F125 V126 E127 K131 Y132 V135N67-R129 WeakPolarHBondContact OD1-CD 3.34Å; N67-R129 WeakPolarHBondContact OD1-CG 3.47Å; I70-R129 HydrophobicContact CD1-CB 4.27Å; I70-R129 HydrophobicContact CD1-CG 4.06Å; D71-R129 IonicContact OD1-CZ 2.67Å; D71-R129 IonicContact OD1-NE 3.69Å; D71-R129 IonicContact OD1-NH2 3.71Å; D71-R129 PolarHBondContact OD1-NH2 3.39Å; F125-R129 PolarHBondContact O-N 3.31Å; V126-R129 CarbonylContact O-C 3.54Å; V126-R129 PolarHBondContact O-N 2.86Å; V126-R129 VanDerWaalsContact O-N 3.09Å; E127-R129 VanDerWaalsContact C-N 3.31Å; E127-R129 PolarHBondContact O-N 3.46Å; R129-K131 PolarHBondContact O-N 3.18Å; R129-K131 VanDerWaalsContact O-N 3.15Å; R129-Y132 PolarHBondContact O-N 3.19Å; R129-V135 HydrophobicContact CB-CG1 4.23Å; R129-V135 HydrophobicContact CB-CG2 4.29Å; R129-V135 WeakPolarHBondContact O-CB 3.33Å
130W97.4Very high97.2Very high28 Ų2849.6 Ų49.611%0.10624%0.241CC..Hα-helixtrans-63.5-19.4-178.6-164.8-110.8000114.3F115 V126 E127 Y132 R136 F139 S140 I143 L167 L169F115-W130 HydrophobicContact CE1-CE3 4.34Å; F115-W130 AromaticContact CE1-CZ3 3.8Å; F115-W130 HydrophobicContact CE1-CZ3 3.8Å; F115-W130 AromaticContact CZ-CE3 3.84Å; F115-W130 HydrophobicContact CZ-CE3 3.84Å; F115-W130 AromaticContact CZ-CZ3 3.71Å; F115-W130 HydrophobicContact CZ-CZ3 3.71Å; V126-W130 WeakPolarHBondContact O-CB 3.3Å; V126-W130 PolarHBondContact O-N 3.03Å; E127-W130 PolarHBondContact O-N 2.77Å; W130-Y132 PolarHBondContact O-N 2.91Å; W130-R136 HydrophobicContact CD2-CB 4.2Å; W130-R136 HydrophobicContact CD2-CG 4.03Å; W130-R136 HydrophobicContact CE3-CB 4.37Å; W130-R136 HydrophobicContact CE3-CG 4.48Å; W130-R136 HydrophobicContact CH2-CG 4.23Å; W130-R136 HydrophobicContact CZ2-CG 3.73Å; W130-R136 WeakPolarHBondContact O-CB 3.47Å; W130-F139 HydrophobicContact CH2-CB 4.05Å; W130-F139 HydrophobicContact CZ3-CB 3.55Å; W130-F139 HydrophobicContact CZ3-CG 4.46Å; W130-S140 VanDerWaalsContact CH2-OG 3.25Å; W130-S140 WeakPolarHBondContact CH2-OG 3.46Å; W130-S140 VanDerWaalsContact CZ2-OG 3.25Å; W130-S140 WeakPolarHBondContact CZ2-OG 3.4Å; W130-I143 HydrophobicContact CH2-CD1 4.28Å; W130-L167 HydrophobicContact CD2-CD1 4.44Å; W130-L167 HydrophobicContact CD2-CD2 4.11Å; W130-L167 HydrophobicContact CE3-CD1 4.3Å; W130-L167 HydrophobicContact CG-CD2 4.26Å; W130-L167 HydrophobicContact CH2-CD1 3.76Å; W130-L167 HydrophobicContact CZ2-CB 4.21Å; W130-L167 HydrophobicContact CZ2-CD1 3.9Å; W130-L167 HydrophobicContact CZ2-CG 4.49Å; W130-L167 HydrophobicContact CZ3-CD1 3.95Å; W130-L169 HydrophobicContact CH2-CD1 4.44Å; W130-L169 HydrophobicContact CZ2-CD1 4.28Å; W130-L169 HydrophobicContact CZ2-CD2 4.14Å; W130-L169 HydrophobicContact CZ2-CG 4.43Å
131K96.8Very high97.2Very high144 Ų14452.4 Ų52.463%0.62625%0.252SS*.THydrogen-bonded Turntrans-64.5-26.5173.3-71.6170.3-174.1174.20112.7E127 R129E127-K131 PolarHBondContact O-N 3.16Å; R129-K131 PolarHBondContact O-N 3.18Å; R129-K131 VanDerWaalsContact O-N 3.15Å
132Y97.6Very high97.3Very high139 Ų13950.5 Ų50.555%0.54524%0.244SC..SBendtrans-92.3135.5-178.8-54.2-83000110.9A128 R129 W130 D134 V135 R136A128-Y132 WeakPolarHBondContact O-CE2 3.33Å; R129-Y132 PolarHBondContact O-N 3.19Å; W130-Y132 PolarHBondContact O-N 2.91Å; Y132-D134 VanDerWaalsContact C-N 3.32Å; Y132-D134 WeakPolarHBondContact CB-OD1 3.22Å; Y132-D134 PolarHBondContact O-N 2.92Å; Y132-V135 PolarHBondContact O-N 3.03Å; Y132-R136 WeakPolarHBondContact O-CB 3.43Å; Y132-R136 PolarHBondContact O-N 3.36Å
133N97.1Very high97.3Very high94 Ų9450.7 Ų50.750%0.50325%0.246SC..Hα-helixtrans-73.8-25.6-171-162.571.8000113.5V135 R136 A137N133-V135 PolarHBondContact O-N 2.83Å; N133-R136 PolarHBondContact OD1-NH2 3.22Å; N133-R136 VanDerWaalsContact OD1-NH2 3.13Å; N133-A137 VanDerWaalsContact O-CB 3.23Å; N133-A137 WeakPolarHBondContact O-CB 3.5Å; N133-A137 PolarHBondContact O-N 2.96Å
134D96.7Very high97.4Very high95 Ų9551.9 Ų51.951%0.50826%0.26SS..Hα-helixtrans-61-29.3170.961.9-29.2000112.2Y132 P138Y132-D134 VanDerWaalsContact C-N 3.32Å; Y132-D134 WeakPolarHBondContact CB-OD1 3.22Å; Y132-D134 PolarHBondContact O-N 2.92Å; D134-P138 WeakPolarHBondContact O-CD 3.48Å; D134-P138 VanDerWaalsContact O-CG 3.29Å; D134-P138 WeakPolarHBondContact O-CG 3.31Å
135V98.1Very high97.5Very high0 Ų049.2 Ų49.20%025%0.247CC..Hα-helixtrans-89.3-51.3171.8-175.40000110.7I70 L74 R129 Y132 N133 A137 P138 F139I70-V135 HydrophobicContact CG2-CG1 4.04Å; L74-V135 HydrophobicContact CD1-CG2 4.25Å; R129-V135 HydrophobicContact CB-CG1 4.23Å; R129-V135 HydrophobicContact CB-CG2 4.29Å; R129-V135 WeakPolarHBondContact O-CB 3.33Å; Y132-V135 PolarHBondContact O-N 3.03Å; N133-V135 PolarHBondContact O-N 2.83Å; V135-A137 PolarHBondContact O-N 3.3Å; V135-P138 WeakPolarHBondContact O-CD 3.48Å; V135-F139 HydrophobicContact CG1-CD2 3.8Å; V135-F139 HydrophobicContact CG1-CE2 4.07Å; V135-F139 WeakPolarHBondContact O-CD2 3.41Å; V135-F139 PolarHBondContact O-N 3.12Å
136R98Very high97.6Very high104 Ų10448.4 Ų48.439%0.39224%0.243SC..Hα-helixtrans-61.1-44.1-172.1-177.4173.664.8-161.9-4112.9W130 Y132 N133 S140W130-R136 HydrophobicContact CD2-CB 4.2Å; W130-R136 HydrophobicContact CD2-CG 4.03Å; W130-R136 HydrophobicContact CE3-CB 4.37Å; W130-R136 HydrophobicContact CE3-CG 4.48Å; W130-R136 HydrophobicContact CH2-CG 4.23Å; W130-R136 HydrophobicContact CZ2-CG 3.73Å; W130-R136 WeakPolarHBondContact O-CB 3.47Å; Y132-R136 WeakPolarHBondContact O-CB 3.43Å; Y132-R136 PolarHBondContact O-N 3.36Å; N133-R136 PolarHBondContact OD1-NH2 3.22Å; N133-R136 VanDerWaalsContact OD1-NH2 3.13Å; R136-S140 WeakPolarHBondContact O-CB 3.46Å; R136-S140 PolarHBondContact O-N 3.01Å; R136-S140 PolarHBondContact O-OG 3.35Å
137A97.9Very high97.5Very high42 Ų4251.3 Ų51.335%0.34726%0.259SS..Hα-helixtrans-68.5-48.5-172.400000112.9N133 V135 F139 W141N133-A137 VanDerWaalsContact O-CB 3.23Å; N133-A137 WeakPolarHBondContact O-CB 3.5Å; N133-A137 PolarHBondContact O-N 2.96Å; V135-A137 PolarHBondContact O-N 3.3Å; A137-F139 PolarHBondContact O-N 3Å; A137-W141 WeakPolarHBondContact O-CB 3.21Å; A137-W141 PolarHBondContact O-N 3.4Å
138P98.1Very high97.5Very high12 Ų1249 Ų498%0.07826%0.256CS..Hα-helixtrans-61.1-44.9176.7-26.436.7000113.3L74 I77 E78 D134 V135 W141 S142L74-P138 HydrophobicContact CD2-CB 4.07Å; L74-P138 HydrophobicContact CD2-CG 4.13Å; I77-P138 HydrophobicContact CG2-CB 4.31Å; E78-P138 HydrophobicContact CG-CB 4.36Å; E78-P138 HydrophobicContact CG-CG 4.42Å; D134-P138 WeakPolarHBondContact O-CD 3.48Å; D134-P138 VanDerWaalsContact O-CG 3.29Å; D134-P138 WeakPolarHBondContact O-CG 3.31Å; V135-P138 WeakPolarHBondContact O-CD 3.48Å; P138-W141 PolarHBondContact O-N 2.73Å; P138-S142 PolarHBondContact O-N 3.48Å
139F98.4Very high97.5Very high0 Ų047.6 Ų47.60%024%0.243CC..Hα-helixtrans-72.3-37.3-179.8-80-69.5000112.7I70 M73 L74 I77 F115 W130 V135 A137 W141 S142 I143I70-F139 HydrophobicContact CG2-CE2 4.01Å; M73-F139 HydrophobicContact CB-CE1 4.44Å; M73-F139 HydrophobicContact CB-CZ 3.92Å; M73-F139 HydrophobicContact CE-CZ 4.45Å; L74-F139 HydrophobicContact CD2-CD2 3.87Å; L74-F139 HydrophobicContact CD2-CE2 3.53Å; L74-F139 HydrophobicContact CD2-CZ 4.42Å; L74-F139 HydrophobicContact CG-CE2 3.9Å; I77-F139 HydrophobicContact CD1-CD1 3.47Å; I77-F139 VanDerWaalsContact CD1-CD1 3.47Å; I77-F139 HydrophobicContact CD1-CE1 3.1Å; I77-F139 HydrophobicContact CD1-CG 4.36Å; I77-F139 HydrophobicContact CD1-CZ 3.76Å; F115-F139 HydrophobicContact CB-CD1 3.83Å; F115-F139 HydrophobicContact CB-CE1 3.37Å; F115-F139 HydrophobicContact CB-CZ 4.16Å; F115-F139 HydrophobicContact CD1-CB 4.35Å; F115-F139 AromaticContact CD1-CD1 3.5Å; F115-F139 HydrophobicContact CD1-CD1 3.5Å; F115-F139 VanDerWaalsContact CD1-CD1 3.5Å; F115-F139 AromaticContact CD1-CE1 3.9Å; F115-F139 HydrophobicContact CD1-CE1 3.9Å; F115-F139 AromaticContact CD1-CG 3.98Å; F115-F139 HydrophobicContact CD1-CG 3.98Å; F115-F139 AromaticContact CD2-CD1 3.76Å; F115-F139 HydrophobicContact CD2-CD1 3.76Å; F115-F139 HydrophobicContact CD2-CD2 4.16Å; F115-F139 AromaticContact CD2-CE1 3.41Å; F115-F139 HydrophobicContact CD2-CE1 3.41Å; F115-F139 VanDerWaalsContact CD2-CE1 3.41Å; F115-F139 AromaticContact CD2-CE2 3.86Å; F115-F139 HydrophobicContact CD2-CE2 3.86Å; F115-F139 HydrophobicContact CD2-CG 4.13Å; F115-F139 AromaticContact CD2-CZ 3.47Å; F115-F139 HydrophobicContact CD2-CZ 3.47Å; F115-F139 VanDerWaalsContact CD2-CZ 3.47Å; F115-F139 HydrophobicContact CE1-CB 4.01Å; F115-F139 AromaticContact CE1-CD1 3.94Å; F115-F139 HydrophobicContact CE1-CD1 3.94Å; F115-F139 AromaticContact CE1-CG 3.91Å; F115-F139 HydrophobicContact CE1-CG 3.91Å; F115-F139 HydrophobicContact CE2-CD1 4.18Å; F115-F139 AromaticContact CE2-CD2 3.91Å; F115-F139 HydrophobicContact CE2-CD2 3.91Å; F115-F139 HydrophobicContact CE2-CE1 4.14Å; F115-F139 AromaticContact CE2-CE2 3.89Å; F115-F139 HydrophobicContact CE2-CE2 3.89Å; F115-F139 HydrophobicContact CE2-CG 4.07Å; F115-F139 HydrophobicContact CE2-CZ 4Å; F115-F139 AromaticContact CG-CD1 3.39Å; F115-F139 HydrophobicContact CG-CD1 3.39Å; F115-F139 AromaticContact CG-CE1 3.26Å; F115-F139 HydrophobicContact CG-CE1 3.26Å; F115-F139 HydrophobicContact CG-CE2 4.48Å; F115-F139 HydrophobicContact CG-CG 4.08Å; F115-F139 AromaticContact CG-CZ 3.87Å; F115-F139 HydrophobicContact CG-CZ 3.87Å; F115-F139 HydrophobicContact CZ-CB 4.28Å; F115-F139 HydrophobicContact CZ-CD1 4.26Å; F115-F139 HydrophobicContact CZ-CD2 4.1Å; F115-F139 AromaticContact CZ-CG 3.97Å; F115-F139 HydrophobicContact CZ-CG 3.97Å; W130-F139 HydrophobicContact CH2-CB 4.05Å; W130-F139 HydrophobicContact CZ3-CB 3.55Å; W130-F139 HydrophobicContact CZ3-CG 4.46Å; V135-F139 HydrophobicContact CG1-CD2 3.8Å; V135-F139 HydrophobicContact CG1-CE2 4.07Å; V135-F139 WeakPolarHBondContact O-CD2 3.41Å; V135-F139 PolarHBondContact O-N 3.12Å; A137-F139 PolarHBondContact O-N 3Å; F139-W141 VanDerWaalsContact C-N 3.28Å; F139-W141 PolarHBondContact O-N 3.03Å; F139-S142 PolarHBondContact O-N 3.49Å; F139-S142 PolarHBondContact O-OG 3.41Å; F139-I143 WeakPolarHBondContact O-CB 3.11Å; F139-I143 WeakPolarHBondContact O-CD1 3.35Å; F139-I143 WeakPolarHBondContact O-CG1 3.12Å; F139-I143 PolarHBondContact O-N 2.94Å
140S97.9Very high97.3Very high36 Ų3653.6 Ų53.625%0.25227%0.273SS..Hα-helixtrans-61.5-41.2173.8-66.90000111.1W130 R136 G144W130-S140 VanDerWaalsContact CH2-OG 3.25Å; W130-S140 WeakPolarHBondContact CH2-OG 3.46Å; W130-S140 VanDerWaalsContact CZ2-OG 3.25Å; W130-S140 WeakPolarHBondContact CZ2-OG 3.4Å; R136-S140 WeakPolarHBondContact O-CB 3.46Å; R136-S140 PolarHBondContact O-N 3.01Å; R136-S140 PolarHBondContact O-OG 3.35Å; S140-G144 PolarHBondContact O-N 3.27Å; S140-G144 VanDerWaalsContact O-N 3.12Å
141W98Very high97.2Very high58 Ų5852.8 Ų52.822%0.2227%0.27CS..Hα-helixtrans-62.7-48.1173.4178.488.9000111.4R81 L108 A137 P138 F139 I143 G144 F145R81-W141 HydrophobicContact CB-CE3 4.17Å; R81-W141 HydrophobicContact CB-CH2 3.6Å; R81-W141 HydrophobicContact CB-CZ2 4.33Å; R81-W141 HydrophobicContact CB-CZ3 3.49Å; R81-W141 VanDerWaalsContact CB-CZ3 3.49Å; R81-W141 HydrophobicContact CG-CD2 4.28Å; R81-W141 HydrophobicContact CG-CE3 4.06Å; R81-W141 HydrophobicContact CG-CH2 3.43Å; R81-W141 VanDerWaalsContact CG-CH2 3.43Å; R81-W141 HydrophobicContact CG-CZ2 3.64Å; R81-W141 HydrophobicContact CG-CZ3 3.63Å; L108-W141 HydrophobicContact CD1-CZ3 3.74Å; L108-W141 HydrophobicContact CD2-CH2 3.98Å; L108-W141 HydrophobicContact CD2-CZ3 3.75Å; L108-W141 HydrophobicContact CG-CZ3 4.39Å; A137-W141 WeakPolarHBondContact O-CB 3.21Å; A137-W141 PolarHBondContact O-N 3.4Å; P138-W141 PolarHBondContact O-N 2.73Å; F139-W141 VanDerWaalsContact C-N 3.28Å; F139-W141 PolarHBondContact O-N 3.03Å; W141-I143 PolarHBondContact O-N 3.29Å; W141-G144 PolarHBondContact O-N 3.16Å; W141-F145 HydrophobicContact CD2-CB 4.49Å; W141-F145 HydrophobicContact CH2-CB 4.21Å; W141-F145 HydrophobicContact CH2-CD1 4.43Å; W141-F145 AromaticContact CH2-CD2 3.83Å; W141-F145 HydrophobicContact CH2-CD2 3.83Å; W141-F145 HydrophobicContact CH2-CE2 4.27Å; W141-F145 AromaticContact CH2-CG 3.9Å; W141-F145 HydrophobicContact CH2-CG 3.9Å; W141-F145 HydrophobicContact CZ2-CB 4.21Å; W141-F145 AromaticContact CZ2-CD2 3.56Å; W141-F145 HydrophobicContact CZ2-CD2 3.56Å; W141-F145 HydrophobicContact CZ2-CE2 4.12Å; W141-F145 AromaticContact CZ2-CG 4Å; W141-F145 HydrophobicContact CZ2-CG 4Å; W141-F145 HydrophobicContact CZ3-CB 4.38Å; W141-F145 HydrophobicContact CZ3-CG 4.45Å; W141-F145 VanDerWaalsContact O-CB 3.29Å; W141-F145 WeakPolarHBondContact O-CB 3.3Å; W141-F145 PolarHBondContact O-N 2.98Å
142S98.3Very high97.2Very high0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-65.9-39.3-176.6800000112.3T112 P138 F139 F145 C146T112-S142 VanDerWaalsContact OG1-CB 3.24Å; T112-S142 WeakPolarHBondContact OG1-CB 3.49Å; T112-S142 PolarHBondContact OG1-OG 2.82Å; P138-S142 PolarHBondContact O-N 3.48Å; F139-S142 PolarHBondContact O-N 3.49Å; F139-S142 PolarHBondContact O-OG 3.41Å; S142-F145 PolarHBondContact O-N 3.42Å; S142-C146 VanDerWaalsContact O-CB 3.26Å; S142-C146 WeakPolarHBondContact O-CB 3.45Å; S142-C146 PolarHBondContact O-N 3.16Å; S142-C146 PolarHBondContact O-SG 3.25Å
143I98.2Very high97Very high5 Ų541.9 Ų41.93%0.02623%0.227CC..Hα-helixtrans-60.2-51.2174.2-67.6163000110.3T112 F115 W130 F139 W141 F145 N147 M160 L163 L167 L169T112-I143 HydrophobicContact CG2-CB 4.44Å; T112-I143 HydrophobicContact CG2-CG1 3.79Å; F115-I143 HydrophobicContact CD1-CD1 4.49Å; F115-I143 HydrophobicContact CE1-CD1 4.34Å; W130-I143 HydrophobicContact CH2-CD1 4.28Å; F139-I143 WeakPolarHBondContact O-CB 3.11Å; F139-I143 WeakPolarHBondContact O-CD1 3.35Å; F139-I143 WeakPolarHBondContact O-CG1 3.12Å; F139-I143 PolarHBondContact O-N 2.94Å; W141-I143 PolarHBondContact O-N 3.29Å; I143-F145 PolarHBondContact O-N 3.14Å; I143-N147 VanDerWaalsContact O-CB 3.31Å; I143-N147 WeakPolarHBondContact O-CB 3.44Å; I143-N147 VanDerWaalsContact O-CG 3.26Å; I143-N147 PolarHBondContact O-N 3.06Å; I143-M160 HydrophobicContact CB-CE 4.34Å; I143-M160 HydrophobicContact CG1-CE 4.03Å; I143-M160 HydrophobicContact CG2-CE 4Å; I143-L163 HydrophobicContact CD1-CD2 3.69Å; I143-L163 HydrophobicContact CD1-CG 4.28Å; I143-L163 HydrophobicContact CG1-CD2 3.88Å; I143-L167 HydrophobicContact CD1-CD1 4.03Å; I143-L169 HydrophobicContact CB-CD1 4.32Å; I143-L169 HydrophobicContact CD1-CD1 3.64Å; I143-L169 HydrophobicContact CG2-CD1 3.95Å
144G96.9Very high96.9Very high36 Ų3645.4 Ų45.437%0.37124%0.24SC..Hα-helixtrans-62.7-42.6179.500000112.5S140 W141 S148S140-G144 PolarHBondContact O-N 3.27Å; S140-G144 VanDerWaalsContact O-N 3.12Å; W141-G144 PolarHBondContact O-N 3.16Å; G144-S148 WeakPolarHBondContact O-CB 3.09Å; G144-S148 PolarHBondContact O-N 3.06Å; G144-S148 PolarHBondContact O-OG 3.09Å
145F98.1Very high96.7Very high20 Ų2045.7 Ų45.79%0.08824%0.242CC..Hα-helixtrans-62.4-56.5177.6-176.8-82.7000111.2L84 F89 P91 L105 L108 W141 S142 I143 N147 S148 T149L84-F145 HydrophobicContact CD1-CE1 3.93Å; L84-F145 HydrophobicContact CD1-CZ 3.89Å; F89-F145 AromaticContact CD1-CZ 3.94Å; F89-F145 HydrophobicContact CD1-CZ 3.94Å; F89-F145 HydrophobicContact CE1-CZ 4.19Å; P91-F145 HydrophobicContact CG-CD2 3.77Å; P91-F145 HydrophobicContact CG-CE2 3.82Å; P91-F145 HydrophobicContact CG-CG 4.25Å; P91-F145 HydrophobicContact CG-CZ 4.3Å; L105-F145 HydrophobicContact CD2-CE1 3.8Å; L105-F145 HydrophobicContact CD2-CZ 4.32Å; L108-F145 HydrophobicContact CD2-CD1 3.32Å; L108-F145 HydrophobicContact CD2-CE1 3.66Å; L108-F145 HydrophobicContact CD2-CG 4.09Å; W141-F145 HydrophobicContact CD2-CB 4.49Å; W141-F145 HydrophobicContact CH2-CB 4.21Å; W141-F145 HydrophobicContact CH2-CD1 4.43Å; W141-F145 AromaticContact CH2-CD2 3.83Å; W141-F145 HydrophobicContact CH2-CD2 3.83Å; W141-F145 HydrophobicContact CH2-CE2 4.27Å; W141-F145 AromaticContact CH2-CG 3.9Å; W141-F145 HydrophobicContact CH2-CG 3.9Å; W141-F145 HydrophobicContact CZ2-CB 4.21Å; W141-F145 AromaticContact CZ2-CD2 3.56Å; W141-F145 HydrophobicContact CZ2-CD2 3.56Å; W141-F145 HydrophobicContact CZ2-CE2 4.12Å; W141-F145 AromaticContact CZ2-CG 4Å; W141-F145 HydrophobicContact CZ2-CG 4Å; W141-F145 HydrophobicContact CZ3-CB 4.38Å; W141-F145 HydrophobicContact CZ3-CG 4.45Å; W141-F145 VanDerWaalsContact O-CB 3.29Å; W141-F145 WeakPolarHBondContact O-CB 3.3Å; W141-F145 PolarHBondContact O-N 2.98Å; S142-F145 PolarHBondContact O-N 3.42Å; I143-F145 PolarHBondContact O-N 3.14Å; F145-N147 PolarHBondContact O-N 2.85Å; F145-S148 WeakPolarHBondContact O-CA 3.5Å; F145-S148 WeakPolarHBondContact O-CB 3.41Å; F145-S148 PolarHBondContact O-N 3.22Å; F145-T149 HydrophobicContact CD1-CG2 3.94Å; F145-T149 HydrophobicContact CE1-CG2 3.7Å; F145-T149 HydrophobicContact CZ-CG2 4.41Å; F145-T149 WeakPolarHBondContact O-CG2 3.4Å; F145-T149 PolarHBondContact O-N 3.44Å
146C98Very high96.7Very high0 Ų046 Ų460%024%0.244CC..Hα-helixtrans-61.3-40.6-177.1-70.90000112.7L109 T112 S142 S148 T149 Y152L109-C146 HydrophobicContact CD2-CB 3.82Å; T112-C146 HydrophobicContact CG2-CB 4.47Å; S142-C146 VanDerWaalsContact O-CB 3.26Å; S142-C146 WeakPolarHBondContact O-CB 3.45Å; S142-C146 PolarHBondContact O-N 3.16Å; S142-C146 PolarHBondContact O-SG 3.25Å; C146-S148 PolarHBondContact O-N 2.97Å; C146-T149 PolarHBondContact O-N 3.34Å; C146-T149 VanDerWaalsContact O-N 3.14Å; C146-T149 PolarHBondContact O-OG1 3.3Å; C146-T149 VanDerWaalsContact O-OG1 3.09Å; C146-Y152 HydrophobicContact CB-CE2 3.66Å
147N95.8Very high96.6Very high64 Ų6444.5 Ų44.534%0.34225%0.246SC..Hα-helixtrans-64.9-24.7176.3-73.9-4.8000112.5I143 F145 M160I143-N147 VanDerWaalsContact O-CB 3.31Å; I143-N147 WeakPolarHBondContact O-CB 3.44Å; I143-N147 VanDerWaalsContact O-CG 3.26Å; I143-N147 PolarHBondContact O-N 3.06Å; F145-N147 PolarHBondContact O-N 2.85Å; N147-M160 WeakPolarHBondContact OD1-CB 3.37Å
148S96.3Very high96.5Very high67 Ų6747.9 Ų47.947%0.46926%0.255SS..THydrogen-bonded Turntrans-85.5-10.1177.7-52.90000113.1P91 G144 F145 C146P91-S148 VanDerWaalsContact CB-CB 3.47Å; P91-S148 WeakPolarHBondContact CB-O 3.18Å; G144-S148 WeakPolarHBondContact O-CB 3.09Å; G144-S148 PolarHBondContact O-N 3.06Å; G144-S148 PolarHBondContact O-OG 3.09Å; F145-S148 WeakPolarHBondContact O-CA 3.5Å; F145-S148 WeakPolarHBondContact O-CB 3.41Å; F145-S148 PolarHBondContact O-N 3.22Å; C146-S148 PolarHBondContact O-N 2.97Å
149T95.8Very high96.5Very high8 Ų847.5 Ų47.55%0.04925%0.252CS..THydrogen-bonded Turntrans-88.7-19.918075.40000113.6P91 F145 C146 F151P91-T149 HydrophobicContact CB-CG2 4.25Å; P91-T149 HydrophobicContact CG-CG2 4.35Å; F145-T149 HydrophobicContact CD1-CG2 3.94Å; F145-T149 HydrophobicContact CE1-CG2 3.7Å; F145-T149 HydrophobicContact CZ-CG2 4.41Å; F145-T149 WeakPolarHBondContact O-CG2 3.4Å; F145-T149 PolarHBondContact O-N 3.44Å; C146-T149 PolarHBondContact O-N 3.34Å; C146-T149 VanDerWaalsContact O-N 3.14Å; C146-T149 PolarHBondContact O-OG1 3.3Å; C146-T149 VanDerWaalsContact O-OG1 3.09Å; T149-F151 VanDerWaalsContact CB-CD2 3.5Å; T149-F151 HydrophobicContact CG2-CD2 4.32Å; T149-F151 HydrophobicContact CG2-CE2 4.48Å; T149-F151 VanDerWaalsContact O-CD1 3.25Å; T149-F151 WeakPolarHBondContact O-CD1 3.38Å; T149-F151 WeakPolarHBondContact O-CE1 3.3Å; T149-F151 PolarHBondContact O-N 2.94Å; T149-F151 WeakPolarHBondContact OG1-CD2 3.33Å; T149-F151 PolarHBondContact OG1-N 3.18Å
150E93.1Very high96.5Very high173 Ų17347.5 Ų47.581%0.80825%0.252SS*.THydrogen-bonded Turntrans58.725.9-176.4-55179.2-171.100114
151F96.4Very high96.4Very high12 Ų1250.8 Ų50.85%0.05326%0.26CS..  trans-97.113.2-179.1-60.4-30.4000114L32 L36 F89 F95 L105 L109 T149L32-F151 HydrophobicContact CD1-CB 4.2Å; L32-F151 HydrophobicContact CD1-CD1 3.62Å; L32-F151 HydrophobicContact CD1-CE1 4.28Å; L32-F151 HydrophobicContact CD1-CG 4.08Å; L32-F151 HydrophobicContact CD2-CD1 4.16Å; L32-F151 HydrophobicContact CD2-CE1 4.42Å; L36-F151 WeakPolarHBondContact CD2-O 3.29Å; F89-F151 AromaticContact CZ-CE2 3.97Å; F89-F151 HydrophobicContact CZ-CE2 3.97Å; F89-F151 HydrophobicContact CZ-CZ 4.44Å; F95-F151 HydrophobicContact CB-CE1 4.09Å; F95-F151 HydrophobicContact CB-CZ 3.99Å; F95-F151 HydrophobicContact CD2-CD1 4.14Å; F95-F151 AromaticContact CD2-CD2 3.78Å; F95-F151 HydrophobicContact CD2-CD2 3.78Å; F95-F151 HydrophobicContact CD2-CE1 4.13Å; F95-F151 AromaticContact CD2-CE2 3.77Å; F95-F151 HydrophobicContact CD2-CE2 3.77Å; F95-F151 AromaticContact CD2-CG 3.99Å; F95-F151 HydrophobicContact CD2-CG 3.99Å; F95-F151 AromaticContact CD2-CZ 3.96Å; F95-F151 HydrophobicContact CD2-CZ 3.96Å; F95-F151 HydrophobicContact CE2-CD2 4.22Å; F95-F151 HydrophobicContact CE2-CG 4.5Å; F95-F151 HydrophobicContact CG-CZ 4.48Å; L105-F151 HydrophobicContact CD1-CD2 4.34Å; L105-F151 HydrophobicContact CD1-CE2 4.01Å; L109-F151 HydrophobicContact CD1-CB 3.81Å; L109-F151 HydrophobicContact CD1-CD2 4.36Å; L109-F151 HydrophobicContact CD2-CB 4.4Å; T149-F151 VanDerWaalsContact CB-CD2 3.5Å; T149-F151 HydrophobicContact CG2-CD2 4.32Å; T149-F151 HydrophobicContact CG2-CE2 4.48Å; T149-F151 VanDerWaalsContact O-CD1 3.25Å; T149-F151 WeakPolarHBondContact O-CD1 3.38Å; T149-F151 WeakPolarHBondContact O-CE1 3.3Å; T149-F151 PolarHBondContact O-N 2.94Å; T149-F151 WeakPolarHBondContact OG1-CD2 3.33Å; T149-F151 PolarHBondContact OG1-N 3.18Å
152Y96.7Very high96.3Very high17 Ų1749.1 Ų49.17%0.06726%0.255CS..SBendtrans-90.6151.2171.2-75.7-47.1000110.9F39 L109 A113 C146 T156 T157 M160F39-Y152 AromaticContact CE1-CD1 3.98Å; F39-Y152 HydrophobicContact CE1-CD1 3.98Å; F39-Y152 HydrophobicContact CE1-CE1 4.45Å; F39-Y152 HydrophobicContact CE2-CD1 4.37Å; F39-Y152 HydrophobicContact CE2-CE1 4.12Å; F39-Y152 AromaticContact CZ-CD1 3.61Å; F39-Y152 HydrophobicContact CZ-CD1 3.61Å; F39-Y152 AromaticContact CZ-CE1 3.64Å; F39-Y152 HydrophobicContact CZ-CE1 3.64Å; L109-Y152 HydrophobicContact CB-CE1 3.8Å; L109-Y152 HydrophobicContact CD2-CD1 3.95Å; L109-Y152 HydrophobicContact CD2-CD2 4.37Å; L109-Y152 HydrophobicContact CD2-CE1 3.51Å; L109-Y152 HydrophobicContact CD2-CE2 3.97Å; L109-Y152 HydrophobicContact CD2-CG 4.36Å; L109-Y152 HydrophobicContact CG-CE1 4.27Å; L109-Y152 WeakPolarHBondContact O-CE1 3.11Å; L109-Y152 PolarHBondContact O-OH 3.49Å; A113-Y152 HydrophobicContact CB-CE1 3.98Å; C146-Y152 HydrophobicContact CB-CE2 3.66Å; Y152-T156 HydrophobicContact CD1-CG2 3.4Å; Y152-T156 HydrophobicContact CD2-CG2 4.25Å; Y152-T156 HydrophobicContact CE1-CG2 3.69Å; Y152-T156 HydrophobicContact CE2-CG2 4.49Å; Y152-T156 HydrophobicContact CG-CG2 3.71Å; Y152-T157 WeakPolarHBondContact CB-OG1 3.33Å; Y152-M160 HydrophobicContact CD2-CG 3.85Å; Y152-M160 HydrophobicContact CE2-CE 4.43Å; Y152-M160 HydrophobicContact CE2-CG 3.55Å; Y152-M160 HydrophobicContact CE2-SD 4.18Å
153D94.1Very high96.3Very high36 Ų3649.1 Ų49.119%0.19326%0.255CS..  trans-69.7168.216472.2-7.1000110.6N155 T156 T157D153-N155 VanDerWaalsContact C-N 3.33Å; D153-N155 PolarHBondContact O-N 3.17Å; D153-T156 PolarHBondContact O-N 2.87Å; D153-T156 WeakPolarHBondContact OD1-CB 3.32Å; D153-T156 PolarHBondContact OD1-N 2.64Å; D153-T156 PolarHBondContact OD1-OG1 3.4Å; D153-T157 WeakPolarHBondContact O-CB 3.39Å; D153-T157 PolarHBondContact O-N 3.3Å; D153-T157 PolarHBondContact O-OG1 3.2Å
154E93.3Very high96.2Very high168 Ų16848.9 Ų48.979%0.78525%0.254SS*.Hα-helixtrans-55.9-46.5-177.8-174.6177.9-170.500112.3T156 T157 E158E154-T156 PolarHBondContact O-N 2.86Å; E154-T157 WeakPolarHBondContact O-CB 3.25Å; E154-T157 PolarHBondContact O-N 3.41Å; E154-E158 PolarHBondContact O-N 2.98Å
155N94.4Very high96.2Very high102 Ų10247.3 Ų47.355%0.54524%0.237SC..Hα-helixtrans-62-42-179.8-62.8-51.3000112.4D153 L159D153-N155 VanDerWaalsContact C-N 3.33Å; D153-N155 PolarHBondContact O-N 3.17Å; N155-L159 PolarHBondContact O-N 3.21Å
156T96.8Very high96.1Very high5 Ų547.4 Ų47.43%0.03124%0.238CC..Hα-helixtrans-73.3-34.3178.8-53.20000110.4F39 A113 Y152 D153 E154 E158 L159 M160F39-T156 HydrophobicContact CE1-CG2 4.34Å; F39-T156 HydrophobicContact CZ-CG2 4.13Å; A113-T156 HydrophobicContact CB-CG2 3.66Å; Y152-T156 HydrophobicContact CD1-CG2 3.4Å; Y152-T156 HydrophobicContact CD2-CG2 4.25Å; Y152-T156 HydrophobicContact CE1-CG2 3.69Å; Y152-T156 HydrophobicContact CE2-CG2 4.49Å; Y152-T156 HydrophobicContact CG-CG2 3.71Å; D153-T156 PolarHBondContact O-N 2.87Å; D153-T156 WeakPolarHBondContact OD1-CB 3.32Å; D153-T156 PolarHBondContact OD1-N 2.64Å; D153-T156 PolarHBondContact OD1-OG1 3.4Å; E154-T156 PolarHBondContact O-N 2.86Å; T156-E158 VanDerWaalsContact C-N 3.32Å; T156-E158 PolarHBondContact O-N 2.82Å; T156-L159 WeakPolarHBondContact O-CB 3.44Å; T156-L159 PolarHBondContact O-N 3.24Å; T156-M160 HydrophobicContact CG2-CG 4.26Å; T156-M160 WeakPolarHBondContact O-CB 3.41Å; T156-M160 WeakPolarHBondContact O-CG 3.46Å; T156-M160 PolarHBondContact O-N 3.35Å
157T96.9Very high96Very high74 Ų7448.4 Ų48.445%0.45424%0.243SC..Hα-helixtrans-59.2-44.2173.3-57.30000111.3Y152 D153 E154 M160 Y161Y152-T157 WeakPolarHBondContact CB-OG1 3.33Å; D153-T157 WeakPolarHBondContact O-CB 3.39Å; D153-T157 PolarHBondContact O-N 3.3Å; D153-T157 PolarHBondContact O-OG1 3.2Å; E154-T157 WeakPolarHBondContact O-CB 3.25Å; E154-T157 PolarHBondContact O-N 3.41Å; T157-M160 PolarHBondContact O-N 2.84Å; T157-Y161 PolarHBondContact O-N 2.93Å
158E95.8Very high95.9Very high112 Ų11250.6 Ų50.652%0.52326%0.255SS..Hα-helixtrans-62.2-45.9173.6-174.5-179.5-169.300112E154 T156 M160 Y161 L162E154-E158 PolarHBondContact O-N 2.98Å; T156-E158 VanDerWaalsContact C-N 3.32Å; T156-E158 PolarHBondContact O-N 2.82Å; E158-M160 VanDerWaalsContact C-N 3.28Å; E158-M160 PolarHBondContact O-N 3.15Å; E158-Y161 WeakPolarHBondContact O-CB 3.31Å; E158-Y161 PolarHBondContact O-N 3.43Å; E158-Y161 VanDerWaalsContact O-N 3.16Å; E158-L162 HydrophobicContact CG-CD1 4.47Å; E158-L162 WeakPolarHBondContact O-CG 3.4Å; E158-L162 PolarHBondContact O-N 3.04Å
159L97.1Very high95.9Very high4 Ų450.6 Ų50.62%0.02125%0.249CC..Hα-helixtrans-55.5-44.8174.6-175.585.8000111.4E117 L120 N155 T156 Y161 L162 L163 Y180E117-L159 HydrophobicContact CG-CD1 4.44Å; E117-L159 HydrophobicContact CG-CD2 3.87Å; L120-L159 HydrophobicContact CD1-CD1 3.4Å; L120-L159 HydrophobicContact CD1-CG 3.89Å; N155-L159 PolarHBondContact O-N 3.21Å; T156-L159 WeakPolarHBondContact O-CB 3.44Å; T156-L159 PolarHBondContact O-N 3.24Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 3.33Å; L159-L162 PolarHBondContact O-N 3.27Å; L159-L163 WeakPolarHBondContact O-CB 3.36Å; L159-L163 PolarHBondContact O-N 3.26Å; L159-Y180 HydrophobicContact CD1-CE2 4.2Å
160M97.7Very high95.7Very high0 Ų053.6 Ų53.60%026%0.264CS..Hα-helixtrans-68.2-32.4-179.9-67.8-49.8-6300112.7T112 I143 N147 Y152 T156 T157 E158 L163 G164T112-M160 HydrophobicContact CG2-CE 3.65Å; I143-M160 HydrophobicContact CB-CE 4.34Å; I143-M160 HydrophobicContact CG1-CE 4.03Å; I143-M160 HydrophobicContact CG2-CE 4Å; N147-M160 WeakPolarHBondContact OD1-CB 3.37Å; Y152-M160 HydrophobicContact CD2-CG 3.85Å; Y152-M160 HydrophobicContact CE2-CE 4.43Å; Y152-M160 HydrophobicContact CE2-CG 3.55Å; Y152-M160 HydrophobicContact CE2-SD 4.18Å; T156-M160 HydrophobicContact CG2-CG 4.26Å; T156-M160 WeakPolarHBondContact O-CB 3.41Å; T156-M160 WeakPolarHBondContact O-CG 3.46Å; T156-M160 PolarHBondContact O-N 3.35Å; T157-M160 PolarHBondContact O-N 2.84Å; E158-M160 VanDerWaalsContact C-N 3.28Å; E158-M160 PolarHBondContact O-N 3.15Å; M160-L163 HydrophobicContact CE-CD2 3.59Å; M160-L163 HydrophobicContact SD-CD2 4.04Å; M160-G164 PolarHBondContact O-N 3.38Å
161Y96.1Very high95.6Very high106 Ų10651.1 Ų51.142%0.41626%0.263SS..Hα-helixtrans-63.2-48.5170.9175.1-106.4000111.2T157 E158 L159 L163 G164 Q165 L170 D173T157-Y161 PolarHBondContact O-N 2.93Å; E158-Y161 WeakPolarHBondContact O-CB 3.31Å; E158-Y161 PolarHBondContact O-N 3.43Å; E158-Y161 VanDerWaalsContact O-N 3.16Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 3.33Å; Y161-L163 VanDerWaalsContact C-N 3.31Å; Y161-L163 PolarHBondContact O-N 3.4Å; Y161-G164 PolarHBondContact O-N 3.43Å; Y161-G164 VanDerWaalsContact O-N 3.14Å; Y161-Q165 PolarHBondContact O-N 3.36Å; Y161-Q165 PolarHBondContact OH-NE2 3.5Å; Y161-L170 HydrophobicContact CD2-CD1 4.09Å; Y161-L170 HydrophobicContact CE2-CD1 4.46Å; Y161-D173 PolarHBondContact OH-OD2 3.34Å
162L96.7Very high95.4Very high22 Ų2255.6 Ų55.612%0.11528%0.28CS..Hα-helixtrans-63.6-37.3177.8-63.8172000111.9L120 E158 L159 G164 Q165 E166 Y176 P179 Y180L120-L162 HydrophobicContact CD1-CB 4.15Å; L120-L162 HydrophobicContact CD2-CB 4.1Å; E158-L162 HydrophobicContact CG-CD1 4.47Å; E158-L162 WeakPolarHBondContact O-CG 3.4Å; E158-L162 PolarHBondContact O-N 3.04Å; L159-L162 PolarHBondContact O-N 3.27Å; L162-G164 VanDerWaalsContact C-N 3.34Å; L162-Q165 PolarHBondContact O-N 3.2Å; L162-E166 PolarHBondContact O-N 2.78Å; L162-Y176 HydrophobicContact CB-CE2 4.48Å; L162-Y176 HydrophobicContact CD2-CD2 4.36Å; L162-Y176 HydrophobicContact CD2-CE2 3.73Å; L162-Y176 PolarHBondContact O-OH 3.03Å; L162-P179 HydrophobicContact CD1-CG 4.23Å; L162-Y180 HydrophobicContact CD1-CD2 4.38Å; L162-Y180 HydrophobicContact CD1-CE2 3.59Å
163L97.6Very high95.2Very high0 Ų058.3 Ų58.30%030%0.296CS..Hα-helixtrans-59.6-45.3172.5177.662.8000111.7A119 I143 L159 M160 Y161 Q165 E166 L167A119-L163 HydrophobicContact CB-CD1 3.4Å; I143-L163 HydrophobicContact CD1-CD2 3.69Å; I143-L163 HydrophobicContact CD1-CG 4.28Å; I143-L163 HydrophobicContact CG1-CD2 3.88Å; L159-L163 WeakPolarHBondContact O-CB 3.36Å; L159-L163 PolarHBondContact O-N 3.26Å; M160-L163 HydrophobicContact CE-CD2 3.59Å; M160-L163 HydrophobicContact SD-CD2 4.04Å; Y161-L163 VanDerWaalsContact C-N 3.31Å; Y161-L163 PolarHBondContact O-N 3.4Å; L163-Q165 PolarHBondContact O-N 3Å; L163-E166 PolarHBondContact O-N 3.44Å; L163-L167 HydrophobicContact CD1-CD1 3.5Å; L163-L167 VanDerWaalsContact CD1-CD1 3.5Å; L163-L167 HydrophobicContact CD1-CG 3.88Å; L163-L167 HydrophobicContact CG-CD1 4.03Å; L163-L167 PolarHBondContact O-N 3.33Å
164G96.9Very high95.1Very high1 Ų163 Ų631%0.0133%0.328CS..Hα-helixtrans-59-37.7178.500000112.2M160 Y161 L162 N168 L169 L170M160-G164 PolarHBondContact O-N 3.38Å; Y161-G164 PolarHBondContact O-N 3.43Å; Y161-G164 VanDerWaalsContact O-N 3.14Å; L162-G164 VanDerWaalsContact C-N 3.34Å; G164-N168 PolarHBondContact O-N 2.98Å; G164-L169 PolarHBondContact O-N 3.41Å; G164-L170 PolarHBondContact O-N 3.24Å; G164-L170 VanDerWaalsContact O-N 3.08Å
165Q96Very high95.1Very high2 Ų262.7 Ų62.71%0.00933%0.331CS..Hα-helixtrans-71.1-44.4173.6-63.7-157.356.900112.8Y161 L162 L163 L167 N168 D173 Y176Y161-Q165 PolarHBondContact O-N 3.36Å; Y161-Q165 PolarHBondContact OH-NE2 3.5Å; L162-Q165 PolarHBondContact O-N 3.2Å; L163-Q165 PolarHBondContact O-N 3Å; Q165-L167 VanDerWaalsContact C-N 3.32Å; Q165-L167 PolarHBondContact O-N 2.77Å; Q165-N168 PolarHBondContact O-N 2.86Å; Q165-D173 PolarHBondContact NE2-OD2 3.08Å; Q165-D173 PolarHBondContact OE1-OD2 2.9Å; Q165-Y176 HydrophobicContact CB-CD1 4.36Å; Q165-Y176 HydrophobicContact CB-CD2 3.84Å; Q165-Y176 HydrophobicContact CB-CE1 4.25Å; Q165-Y176 HydrophobicContact CB-CE2 3.68Å; Q165-Y176 HydrophobicContact CB-CG 4.17Å; Q165-Y176 VanDerWaalsContact CD-CD2 3.48Å; Q165-Y176 HydrophobicContact CG-CD2 4.25Å; Q165-Y176 HydrophobicContact CG-CE2 4.37Å; Q165-Y176 VanDerWaalsContact OE1-CD2 3.31Å
166E96.2Very high95Very high22 Ų2258.9 Ų58.910%0.10331%0.309CS..Hα-helixtrans-62.7-40.5-178.1-17167.315500111.7L120 P123 L162 L163 N168 Y176 N178L120-E166 HydrophobicContact CD2-CB 4.03Å; L120-E166 HydrophobicContact CD2-CG 4.41Å; P123-E166 HydrophobicContact CB-CG 4.5Å; P123-E166 WeakPolarHBondContact CB-OE1 3.22Å; L162-E166 PolarHBondContact O-N 2.78Å; L163-E166 PolarHBondContact O-N 3.44Å; E166-N168 VanDerWaalsContact C-N 3.31Å; E166-N168 PolarHBondContact O-N 3.22Å; E166-Y176 WeakPolarHBondContact CB-OH 3.36Å; E166-Y176 WeakPolarHBondContact OE2-CE1 3.11Å; E166-N178 PolarHBondContact OE1-ND2 2.96Å
167L96.4Very high94.8Very high21 Ų2163.9 Ų63.911%0.1134%0.34CS..THydrogen-bonded Turntrans-87.12.6179.2-62.6179.7000113.9F115 W130 I143 L163 Q165 L169F115-L167 HydrophobicContact CE1-CD1 3.88Å; W130-L167 HydrophobicContact CD2-CD1 4.44Å; W130-L167 HydrophobicContact CD2-CD2 4.11Å; W130-L167 HydrophobicContact CE3-CD1 4.3Å; W130-L167 HydrophobicContact CG-CD2 4.26Å; W130-L167 HydrophobicContact CH2-CD1 3.76Å; W130-L167 HydrophobicContact CZ2-CB 4.21Å; W130-L167 HydrophobicContact CZ2-CD1 3.9Å; W130-L167 HydrophobicContact CZ2-CG 4.49Å; W130-L167 HydrophobicContact CZ3-CD1 3.95Å; I143-L167 HydrophobicContact CD1-CD1 4.03Å; L163-L167 HydrophobicContact CD1-CD1 3.5Å; L163-L167 VanDerWaalsContact CD1-CD1 3.5Å; L163-L167 HydrophobicContact CD1-CG 3.88Å; L163-L167 HydrophobicContact CG-CD1 4.03Å; L163-L167 PolarHBondContact O-N 3.33Å; Q165-L167 VanDerWaalsContact C-N 3.32Å; Q165-L167 PolarHBondContact O-N 2.77Å; L167-L169 HydrophobicContact CB-CD1 4.16Å; L167-L169 HydrophobicContact CB-CG 3.98Å; L167-L169 HydrophobicContact CD1-CD1 4.35Å; L167-L169 PolarHBondContact O-N 3.34Å
168N94.7Very high94.6Very high110 Ų11060.5 Ų60.559%0.58832%0.319SS*.THydrogen-bonded Turntrans53.835.2-174.9-51.3-74.2000113.4G164 Q165 E166G164-N168 PolarHBondContact O-N 2.98Å; Q165-N168 PolarHBondContact O-N 2.86Å; E166-N168 VanDerWaalsContact C-N 3.31Å; E166-N168 PolarHBondContact O-N 3.22Å
169L94.3Very high94.3Very high68 Ų6858.4 Ų58.436%0.35632%0.315SS..SBendtrans-81.4-22.3170.7-64.1176.2000111.7W130 I143 G164 L167W130-L169 HydrophobicContact CH2-CD1 4.44Å; W130-L169 HydrophobicContact CZ2-CD1 4.28Å; W130-L169 HydrophobicContact CZ2-CD2 4.14Å; W130-L169 HydrophobicContact CZ2-CG 4.43Å; I143-L169 HydrophobicContact CB-CD1 4.32Å; I143-L169 HydrophobicContact CD1-CD1 3.64Å; I143-L169 HydrophobicContact CG2-CD1 3.95Å; G164-L169 PolarHBondContact O-N 3.41Å; L167-L169 HydrophobicContact CB-CD1 4.16Å; L167-L169 HydrophobicContact CB-CG 3.98Å; L167-L169 HydrophobicContact CD1-CD1 4.35Å; L167-L169 PolarHBondContact O-N 3.34Å
170L92.2Very high94.1Very high70 Ų7061.3 Ų61.337%0.36633%0.326SS..SBendtrans-119.7157.5174.1-60.3175.3000109.6Y161 G164 R172Y161-L170 HydrophobicContact CD2-CD1 4.09Å; Y161-L170 HydrophobicContact CE2-CD1 4.46Å; G164-L170 PolarHBondContact O-N 3.24Å; G164-L170 VanDerWaalsContact O-N 3.08Å; L170-R172 PolarHBondContact O-N 3.38Å
171P91.4Very high93.7Very high121 Ų12166.4 Ų66.479%0.78635%0.346SS*.PPolyproline II helixtrans-52.8124.3166-23.634.3000110
172R91.7Very high93Very high107 Ų10762.1 Ų62.140%0.40433%0.329SS..PPolyproline II helixtrans-81.5132.3-178.1-174.9172.2173.1145.74.5110.1L170 Y176L170-R172 PolarHBondContact O-N 3.38Å; R172-Y176 HydrophobicContact CG-CD1 4.11Å; R172-Y176 HydrophobicContact CG-CG 4.2Å; R172-Y176 PolarHBondContact NH2-O 3.37Å
173D92.7Very high92Very high74 Ų7464.4 Ų64.440%0.39634%0.344SS..PPolyproline II helixtrans-61.2136.2173.3-67-47.5000109.1Y161 Q165 L175 Y176Y161-D173 PolarHBondContact OH-OD2 3.34Å; Q165-D173 PolarHBondContact NE2-OD2 3.08Å; Q165-D173 PolarHBondContact OE1-OD2 2.9Å; D173-L175 PolarHBondContact O-N 3.14Å; D173-Y176 VanDerWaalsContact O-CB 3.22Å; D173-Y176 WeakPolarHBondContact O-CB 3.06Å; D173-Y176 PolarHBondContact O-N 3Å
174P92.6Very high90.9Very high134 Ų13466.4 Ų66.487%0.8736%0.356SS*.THydrogen-bonded Turntrans-58.6-24.1-176.5-26.634.3000114.6
175L92.7Very high89.8Confident161 Ų16169.3 Ų69.384%0.84337%0.367SS*.THydrogen-bonded Turntrans-1046.9179.1-59.1179.5000112.8D173 T177D173-L175 PolarHBondContact O-N 3.14Å; L175-T177 PolarHBondContact O-N 2.97Å; L175-T177 VanDerWaalsContact O-N 3.12Å
176Y92.9Very high88.6Confident22 Ų2272.4 Ų72.49%0.08638%0.381CS..  trans-61.4119.4-177.9174.9-91000111L162 Q165 E166 R172 D173 N178L162-Y176 HydrophobicContact CB-CE2 4.48Å; L162-Y176 HydrophobicContact CD2-CD2 4.36Å; L162-Y176 HydrophobicContact CD2-CE2 3.73Å; L162-Y176 PolarHBondContact O-OH 3.03Å; Q165-Y176 HydrophobicContact CB-CD1 4.36Å; Q165-Y176 HydrophobicContact CB-CD2 3.84Å; Q165-Y176 HydrophobicContact CB-CE1 4.25Å; Q165-Y176 HydrophobicContact CB-CE2 3.68Å; Q165-Y176 HydrophobicContact CB-CG 4.17Å; Q165-Y176 VanDerWaalsContact CD-CD2 3.48Å; Q165-Y176 HydrophobicContact CG-CD2 4.25Å; Q165-Y176 HydrophobicContact CG-CE2 4.37Å; Q165-Y176 VanDerWaalsContact OE1-CD2 3.31Å; E166-Y176 WeakPolarHBondContact CB-OH 3.36Å; E166-Y176 WeakPolarHBondContact OE2-CE1 3.11Å; R172-Y176 HydrophobicContact CG-CD1 4.11Å; R172-Y176 HydrophobicContact CG-CG 4.2Å; R172-Y176 PolarHBondContact NH2-O 3.37Å; D173-Y176 VanDerWaalsContact O-CB 3.22Å; D173-Y176 WeakPolarHBondContact O-CB 3.06Å; D173-Y176 PolarHBondContact O-N 3Å; Y176-N178 HydrophobicContact CE1-CB 4.15Å
177T91.6Very high87.4Confident111 Ų11176.4 Ų76.468%0.68140%0.399SS*.  trans-125.6125.1167.7-58.40000106.8L175 P179L175-T177 PolarHBondContact O-N 2.97Å; L175-T177 VanDerWaalsContact O-N 3.12Å; T177-P179 VanDerWaalsContact O-CD 3.26Å; T177-P179 WeakPolarHBondContact O-CD 3.49Å; T177-P179 VanDerWaalsContact O-N 3.13Å
178N93.4Very high86.2Confident2 Ų281.1 Ų81.11%0.01142%0.421CS..  trans-61.5113.9179.8175-5.3000109.9L120 E166 Y176 Y180 R181L120-N178 PolarHBondContact O-ND2 3.41Å; L120-N178 PolarHBondContact O-OD1 2.96Å; E166-N178 PolarHBondContact OE1-ND2 2.96Å; Y176-N178 HydrophobicContact CE1-CB 4.15Å; N178-Y180 VanDerWaalsContact C-N 3.27Å; N178-Y180 PolarHBondContact O-N 3.27Å; N178-Y180 PolarHBondContact OD1-N 3.37Å; N178-R181 HydrophobicContact CB-CG 4.11Å
179P90.4Very high85.1Confident69 Ų6981.4 Ų81.445%0.44842%0.417SS..THydrogen-bonded Turntrans-75.7-15.5-17431.2-34.6000113L162 T177L162-P179 HydrophobicContact CD1-CG 4.23Å; T177-P179 VanDerWaalsContact O-CD 3.26Å; T177-P179 WeakPolarHBondContact O-CD 3.49Å; T177-P179 VanDerWaalsContact O-N 3.13Å
180Y91.2Very high84.1Confident65 Ų6584.9 Ų84.926%0.25543%0.431SS..THydrogen-bonded Turntrans-97.4-2-172-64.4-69.9000114.5L120 Y121 L159 L162 N178 K182L120-Y180 HydrophobicContact CB-CD2 3.99Å; L120-Y180 HydrophobicContact CB-CG 4.32Å; L120-Y180 HydrophobicContact CD1-CD2 3.9Å; L120-Y180 HydrophobicContact CD1-CE2 4.18Å; L120-Y180 HydrophobicContact CD2-CD2 4.5Å; L120-Y180 HydrophobicContact CG-CD2 4.36Å; L120-Y180 CarbonylContact O-C 3.58Å; Y121-Y180 WeakPolarHBondContact CA-O 3.38Å; Y121-Y180 WeakPolarHBondContact CD1-O 3.37Å; Y121-Y180 HydrophobicContact CD2-CD1 4.5Å; Y121-Y180 HydrophobicContact CD2-CG 4.32Å; Y121-Y180 HydrophobicContact CE1-CD1 4.39Å; Y121-Y180 AromaticContact CE2-CD1 3.56Å; Y121-Y180 HydrophobicContact CE2-CD1 3.56Å; Y121-Y180 HydrophobicContact CE2-CE1 4.4Å; Y121-Y180 AromaticContact CE2-CG 3.78Å; Y121-Y180 HydrophobicContact CE2-CG 3.78Å; Y121-Y180 AromaticContact CZ-CD1 3.53Å; Y121-Y180 WeakPolarHBondContact OH-CD1 3.26Å; L159-Y180 HydrophobicContact CD1-CE2 4.2Å; L162-Y180 HydrophobicContact CD1-CD2 4.38Å; L162-Y180 HydrophobicContact CD1-CE2 3.59Å; N178-Y180 VanDerWaalsContact C-N 3.27Å; N178-Y180 PolarHBondContact O-N 3.27Å; N178-Y180 PolarHBondContact OD1-N 3.37Å; Y180-K182 PolarHBondContact O-N 3.2Å; Y180-K182 VanDerWaalsContact O-N 3.15Å
181R89.8Confident83Confident107 Ų10785.9 Ų85.940%0.40443%0.434SS..  trans-47.3129.1-179.5-75.2-170.5178.1-163.6-1.5109.8P123 N178 T183 T184 Y185P123-R181 HydrophobicContact CG-CG 4.16Å; N178-R181 HydrophobicContact CB-CG 4.11Å; R181-T183 PolarHBondContact O-N 3.06Å; R181-T184 WeakPolarHBondContact O-CA 3.21Å; R181-T184 WeakPolarHBondContact O-CB 3.24Å; R181-T184 PolarHBondContact O-N 3Å; R181-T184 PolarHBondContact O-OG1 2.95Å; R181-Y185 PolarHBondContact O-N 2.84Å
182K82.5Confident82.1Confident15 Ų1586.1 Ų86.17%0.06542%0.423CS..Hα-helixtrans-50.9-32-178.271.5-173.4-171.7-166.30113.2L54 D59 Y121 F122 E124 Y180 T184 Y185 F186L54-K182 HydrophobicContact CD2-CB 3.62Å; D59-K182 IonicContact OD1-NZ 3.75Å; D59-K182 PolarHBondContact OD1-NZ 2.92Å; Y121-K182 WeakPolarHBondContact O-CB 3.24Å; Y121-K182 PolarHBondContact O-N 2.83Å; Y121-K182 VanDerWaalsContact O-N 3.09Å; F122-K182 HydrophobicContact CD1-CD 3.77Å; F122-K182 HydrophobicContact CE1-CB 4.45Å; F122-K182 HydrophobicContact CE1-CD 3.84Å; E124-K182 WeakPolarHBondContact OE1-CE 3.41Å; E124-K182 IonicContact OE1-NZ 2.75Å; E124-K182 PolarHBondContact OE1-NZ 3.38Å; Y180-K182 PolarHBondContact O-N 3.2Å; Y180-K182 VanDerWaalsContact O-N 3.15Å; K182-T184 VanDerWaalsContact C-N 3.29Å; K182-T184 PolarHBondContact O-N 3.31Å; K182-Y185 WeakPolarHBondContact O-CB 3.43Å; K182-Y185 PolarHBondContact O-N 3.42Å; K182-Y185 VanDerWaalsContact O-N 3.12Å; K182-F186 HydrophobicContact CB-CE2 4.41Å; K182-F186 WeakPolarHBondContact O-CD2 3.24Å; K182-F186 PolarHBondContact O-N 2.9Å
183T74.6Confident81.2Confident71 Ų7185.2 Ų85.244%0.43643%0.433SS..Hα-helixtrans-57.1-44.5176500000111R181 Y185 F186 E187R181-T183 PolarHBondContact O-N 3.06Å; T183-Y185 PolarHBondContact O-N 2.84Å; T183-F186 PolarHBondContact O-N 2.95Å; T183-E187 WeakPolarHBondContact O-CB 3.43Å; T183-E187 VanDerWaalsContact O-CG 3.24Å; T183-E187 WeakPolarHBondContact O-CG 3.36Å; T183-E187 PolarHBondContact O-N 3.46Å
184T75.7Confident80.2Confident41 Ų4186.2 Ų86.225%0.25245%0.446SS..Hα-helixtrans-60.1-43.8174.4-45.70000111.3R181 K182 F186 E187 E188R181-T184 WeakPolarHBondContact O-CA 3.21Å; R181-T184 WeakPolarHBondContact O-CB 3.24Å; R181-T184 PolarHBondContact O-N 3Å; R181-T184 PolarHBondContact O-OG1 2.95Å; K182-T184 VanDerWaalsContact C-N 3.29Å; K182-T184 PolarHBondContact O-N 3.31Å; T184-F186 PolarHBondContact O-N 2.86Å; T184-E187 PolarHBondContact O-N 3.45Å; T184-E188 WeakPolarHBondContact O-CB 3.37Å; T184-E188 WeakPolarHBondContact O-CG 3.38Å; T184-E188 PolarHBondContact O-N 2.9Å
185Y73.3Confident79.2Confident62 Ų6288.4 Ų88.424%0.24344%0.437CS..Hα-helixtrans-59.9-42.7177.9177.8-97.6000112.8L54 R181 K182 T183 K189L54-Y185 HydrophobicContact CB-CD1 4.39Å; L54-Y185 HydrophobicContact CB-CE1 4.32Å; L54-Y185 HydrophobicContact CD1-CD1 4.49Å; L54-Y185 HydrophobicContact CD1-CG 4.49Å; R181-Y185 PolarHBondContact O-N 2.84Å; K182-Y185 WeakPolarHBondContact O-CB 3.43Å; K182-Y185 PolarHBondContact O-N 3.42Å; K182-Y185 VanDerWaalsContact O-N 3.12Å; T183-Y185 PolarHBondContact O-N 2.84Å; Y185-K189 PolarHBondContact O-N 3.43Å
186F70.7Confident77.4Confident68 Ų6886.5 Ų86.530%0.29842%0.423SS..Hα-helixtrans-72.8-39.6177.7-71-69.7000112.4L54 K182 T183 T184 E188 K189 E190L54-F186 WeakPolarHBondContact O-CE1 3.31Å; L54-F186 WeakPolarHBondContact O-CZ 3.39Å; K182-F186 HydrophobicContact CB-CE2 4.41Å; K182-F186 WeakPolarHBondContact O-CD2 3.24Å; K182-F186 PolarHBondContact O-N 2.9Å; T183-F186 PolarHBondContact O-N 2.95Å; T184-F186 PolarHBondContact O-N 2.86Å; F186-E188 VanDerWaalsContact C-N 3.35Å; F186-E188 PolarHBondContact O-N 2.8Å; F186-K189 PolarHBondContact O-N 3.41Å; F186-E190 WeakPolarHBondContact O-CG 3.42Å; F186-E190 PolarHBondContact O-N 3.11Å
187E70.3Confident75.5Confident105 Ų10590 Ų9049%0.49145%0.449SS..Hα-helixtrans-59.1-44.3174.5-74.4169.2-16000111.7T183 T184 K189 E190 Q191T183-E187 WeakPolarHBondContact O-CB 3.43Å; T183-E187 VanDerWaalsContact O-CG 3.24Å; T183-E187 WeakPolarHBondContact O-CG 3.36Å; T183-E187 PolarHBondContact O-N 3.46Å; T184-E187 PolarHBondContact O-N 3.45Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.4Å; E187-E190 PolarHBondContact O-N 2.81Å; E187-Q191 WeakPolarHBondContact O-CB 3.47Å; E187-Q191 VanDerWaalsContact O-CG 3.28Å; E187-Q191 WeakPolarHBondContact O-CG 3.26Å; E187-Q191 PolarHBondContact O-N 2.78Å
188E72.6Confident73.7Confident121 Ų12192.9 Ų92.957%0.56546%0.46SS*.Hα-helixtrans-61.9-40.9175.2-74.9177.7177.600112T184 F186 Q191 F192T184-E188 WeakPolarHBondContact O-CB 3.37Å; T184-E188 WeakPolarHBondContact O-CG 3.38Å; T184-E188 PolarHBondContact O-N 2.9Å; F186-E188 VanDerWaalsContact C-N 3.35Å; F186-E188 PolarHBondContact O-N 2.8Å; E188-Q191 PolarHBondContact O-N 3.37Å; E188-F192 WeakPolarHBondContact O-CB 3.21Å; E188-F192 PolarHBondContact O-N 2.85Å
189K70.7Confident71.6Confident115 Ų115100.6 Ų100.650%0.550%0.496SS..Hα-helixtrans-68-41.2178.5-170.7-178.7178-172.70112.2Y185 F186 E187 F192 S193Y185-K189 PolarHBondContact O-N 3.43Å; F186-K189 PolarHBondContact O-N 3.41Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.4Å; K189-F192 PolarHBondContact O-N 3.36Å; K189-S193 WeakPolarHBondContact O-CB 3.46Å; K189-S193 PolarHBondContact O-N 2.92Å
190E72.3Confident69.4Low141 Ų141105.3 Ų105.366%0.65951%0.512SS*.Hα-helixtrans-64.7-44.3175-73.5-177.8-178.800111.1F186 E187 F192 S193 S194F186-E190 WeakPolarHBondContact O-CG 3.42Å; F186-E190 PolarHBondContact O-N 3.11Å; E187-E190 PolarHBondContact O-N 2.81Å; E190-F192 PolarHBondContact O-N 3.28Å; E190-S193 PolarHBondContact O-N 2.93Å; E190-S194 WeakPolarHBondContact O-CB 3.47Å; E190-S194 PolarHBondContact O-N 3.5Å; E190-S194 PolarHBondContact O-OG 3.42Å
191Q70.3Confident67.3Low92 Ų92108.2 Ų108.243%0.4354%0.539SS..Hα-helixtrans-61-45.5174.5-74.3-177.328.900111.7E187 E188 S194 R195E187-Q191 WeakPolarHBondContact O-CB 3.47Å; E187-Q191 VanDerWaalsContact O-CG 3.28Å; E187-Q191 WeakPolarHBondContact O-CG 3.26Å; E187-Q191 PolarHBondContact O-N 2.78Å; E188-Q191 PolarHBondContact O-N 3.37Å; Q191-S194 PolarHBondContact O-N 3.39Å; Q191-S194 PolarHBondContact O-OG 3Å; Q191-R195 WeakPolarHBondContact O-CG 3.31Å; Q191-R195 PolarHBondContact O-N 3.11Å; Q191-R195 VanDerWaalsContact OE1-NH2 3.08Å
192F71.2Confident65.2Low126 Ų126109.3 Ų109.355%0.55355%0.553SS**Hα-helixtrans-63.1-44.5177.6-171.7-97.1000111.9E188 K189 E190 S194 R195 Q196E188-F192 WeakPolarHBondContact O-CB 3.21Å; E188-F192 PolarHBondContact O-N 2.85Å; K189-F192 PolarHBondContact O-N 3.36Å; E190-F192 PolarHBondContact O-N 3.28Å; F192-S194 PolarHBondContact O-N 3.45Å; F192-R195 PolarHBondContact O-N 3.36Å; F192-R195 VanDerWaalsContact O-N 3.09Å; F192-Q196 HydrophobicContact CD1-CG 4.19Å; F192-Q196 VanDerWaalsContact CE1-CD 3.42Å; F192-Q196 HydrophobicContact CE1-CG 3.83Å; F192-Q196 HydrophobicContact CZ-CG 4.14Å; F192-Q196 VanDerWaalsContact CZ-NE2 3.25Å; F192-Q196 PolarHBondContact O-N 3.37Å
193S73Confident63.4Low87 Ų87119 Ų11961%0.60859%0.589SS**Hα-helixtrans-61.7-32176.3-171.80000112.9K189 E190K189-S193 WeakPolarHBondContact O-CB 3.46Å; K189-S193 PolarHBondContact O-N 2.92Å; E190-S193 PolarHBondContact O-N 2.93Å
194S72Confident61.6Low95 Ų95125.7 Ų125.766%0.66461%0.606SS**Hα-helixtrans-78.5-23.3175.873.10000113.7E190 Q191 F192E190-S194 WeakPolarHBondContact O-CB 3.47Å; E190-S194 PolarHBondContact O-N 3.5Å; E190-S194 PolarHBondContact O-OG 3.42Å; Q191-S194 PolarHBondContact O-N 3.39Å; Q191-S194 PolarHBondContact O-OG 3Å; F192-S194 PolarHBondContact O-N 3.45Å
195R71.2Confident59.9Low180 Ų180132.1 Ų132.168%0.67964%0.639SS**Hα-helixtrans-89.7-23.8-179.5-74.4-179.3-167.8154.111.7113.2Q191 F192 P197Q191-R195 WeakPolarHBondContact O-CG 3.31Å; Q191-R195 PolarHBondContact O-N 3.11Å; Q191-R195 VanDerWaalsContact OE1-NH2 3.08Å; F192-R195 PolarHBondContact O-N 3.36Å; F192-R195 VanDerWaalsContact O-N 3.09Å; R195-P197 WeakPolarHBondContact O-CD 3.28Å
196Q55.7Low58.5Low121 Ų121134.1 Ų134.157%0.56566%0.662SS**SBendtrans-68.4114.3170.3-68.6-156.9-35.700108.2F192F192-Q196 HydrophobicContact CD1-CG 4.19Å; F192-Q196 VanDerWaalsContact CE1-CD 3.42Å; F192-Q196 HydrophobicContact CE1-CG 3.83Å; F192-Q196 HydrophobicContact CZ-CG 4.14Å; F192-Q196 VanDerWaalsContact CZ-NE2 3.25Å; F192-Q196 PolarHBondContact O-N 3.37Å
197P52.1Low57.2Low95 Ų95137.9 Ų137.962%0.61768%0.68SS**  trans-56.1149168.6-14.929.7000107.5R195 E199R195-P197 WeakPolarHBondContact O-CD 3.28Å; P197-E199 PolarHBondContact O-N 3.02Å
198N55.4Low55.6Low172 Ų172142 Ų14292%0.9270%0.699SS**  trans-63.865.8179.9-153.618.6000110.3Q200N198-Q200 PolarHBondContact O-N 3Å
199E48.4Very low53.9Low165 Ų165147.5 Ų147.577%0.77173%0.731SS**  trans-77.5109.7175.4-74.4-171.917200106.3P197P197-E199 PolarHBondContact O-N 3.02Å
200Q45.3Very low53.1Low167 Ų167149.1 Ų149.178%0.7874%0.743SS**  trans-45.8136.5172.8-102.6159.5-37.100110.3N198 D202N198-Q200 PolarHBondContact O-N 3Å; Q200-D202 PolarHBondContact O-N 3.43Å
201P46Very low52Low126 Ų126149.5 Ų149.582%0.81875%0.747SS**  trans-7776.3-169.831.9-34.2000110.3
202D46.4Very low51Low130 Ų130152.7 Ų152.770%0.69577%0.765SS**  trans-102.397.4175.9-86.4-25000110.9Q200 W204Q200-D202 PolarHBondContact O-N 3.43Å; D202-W204 PolarHBondContact O-N 3.44Å
203R43.7Very low49.8Very low220 Ų220154.3 Ų154.383%0.8378%0.777SS**SBendtrans86.2-1.9130.2-142.7174.7-178-161.8-1.8121.5
204W37.7Very low48.4Very low210 Ų210158.5 Ų158.580%0.79579%0.788SS**  trans-103.87.5-173.3-68.899.6000118.7D202D202-W204 PolarHBondContact O-N 3.44Å
205L38.7Very low46.8Very low177 Ų177162.7 Ų162.793%0.92780%0.796SS**THydrogen-bonded Turntrans-93.112177.4-85.8167000115.7
206S44.9Very low45.1Very low104 Ų104161.5 Ų161.573%0.72780%0.804SS**THydrogen-bonded Turntrans-98.29.3174.255.40000115.1
207E42.7Very low44.3Very low146 Ų146164.6 Ų164.668%0.68282%0.823SS**SBendtrans-125.19.9-178.3-70.5-168.8161.800116.4
208E36.8Very low43.6Very low191 Ų191170.4 Ų170.489%0.89384%0.84SS**  trans-127.238.2172.8-70.5-165158.500115.1
209L37.3Very low42.5Very low237 Ų237170.3 Ų170.3100%1.24183%0.833SS**  trans-125.60159-70.1176.2000109.8

Retrieved 209 of 209 residues in 199.9 ms (Link to these results)

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