G4M0A1_SCHMA Loading...

Ccr4-not transcription complex, putative

AlphaFold DB , UniProt , Accession G4M0A1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 226 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M32.4Very low61.3Low234 Ų234103.8 Ų103.8100%1.15353%0.525SS*.  091.40-170.117380.800106.7S3M1-S3 PolarHBondContact O-N 2.61Å
2E39.7Very low64.1Low185 Ų18595.6 Ų95.686%0.86448%0.484SS*.  trans-60.7120.7173.3-71.5178.5161.700107.7
3S47.9Very low66.5Low22 Ų2292.4 Ų92.415%0.15447%0.474CS..  trans-71.7155.2-175.384.20000110.5M1 L5 V6 N57M1-S3 PolarHBondContact O-N 2.61Å; S3-L5 PolarHBondContact O-N 3.21Å; S3-L5 WeakPolarHBondContact OG-CB 3.28Å; S3-L5 PolarHBondContact OG-N 3.32Å; S3-L5 VanDerWaalsContact OG-N 3.08Å; S3-V6 PolarHBondContact O-N 3.08Å; S3-V6 PolarHBondContact OG-N 3.07Å; S3-N57 VanDerWaalsContact CB-CG 3.43Å; S3-N57 WeakPolarHBondContact CB-ND2 3Å; S3-N57 WeakPolarHBondContact CB-OD1 3.27Å; S3-N57 PolarHBondContact OG-ND2 2.93Å; S3-N57 PolarHBondContact OG-OD1 3.05Å
4K55.8Low68.5Low184 Ų18494.9 Ų94.980%0.848%0.483SS*.THydrogen-bonded Turntrans-57.4-11.8169.2-69.8-174.9176.7-177.90113.7S7K4-S7 PolarHBondContact O-OG 2.81Å; K4-S7 VanDerWaalsContact O-OG 3.05Å
5L57.9Low70.3Confident23 Ų2399.4 Ų99.412%0.1249%0.493CS..THydrogen-bonded Turntrans-86.5-41.8-178.3-52.4-176.2000111.6S3 S7 R8 Y53 L56 E94S3-L5 PolarHBondContact O-N 3.21Å; S3-L5 WeakPolarHBondContact OG-CB 3.28Å; S3-L5 PolarHBondContact OG-N 3.32Å; S3-L5 VanDerWaalsContact OG-N 3.08Å; L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 2.93Å; L5-R8 PolarHBondContact O-N 3.47Å; L5-Y53 HydrophobicContact CB-CD1 3.57Å; L5-Y53 HydrophobicContact CB-CE1 4Å; L5-Y53 HydrophobicContact CB-CG 4.41Å; L5-L56 HydrophobicContact CD1-CD2 3.88Å; L5-E94 HydrophobicContact CD1-CG 4.27Å; L5-E94 HydrophobicContact CD2-CG 4.33Å; L5-E94 WeakPolarHBondContact CD2-OE1 3.36Å; L5-E94 VanDerWaalsContact CD2-OE2 3.23Å; L5-E94 WeakPolarHBondContact CD2-OE2 3.5Å
6V58.4Low71.8Confident20 Ų2093.6 Ų93.612%0.12146%0.464CS..G310 helixtrans-67.7-29.7-179.7172.30000111.6S3 R8 C9 N57S3-V6 PolarHBondContact O-N 3.08Å; S3-V6 PolarHBondContact OG-N 3.07Å; V6-R8 PolarHBondContact O-N 3.31Å; V6-C9 PolarHBondContact O-N 3.35Å; V6-C9 VanDerWaalsContact O-N 3.09Å; V6-N57 WeakPolarHBondContact CG2-ND2 3.39Å
7S58.5Low73.2Confident99 Ų9989.2 Ų89.269%0.69244%0.444SS*.G310 helixtrans-62.4-5.7178.368.10000114.4K4 L5K4-S7 PolarHBondContact O-OG 2.81Å; K4-S7 VanDerWaalsContact O-OG 3.05Å; L5-S7 VanDerWaalsContact C-N 3.27Å; L5-S7 PolarHBondContact O-N 2.93Å
8R67Low74.5Confident154 Ų15491.3 Ų91.358%0.58145%0.451SS*.G310 helixtrans-92.8-0.9177.4-62.9-178.6175.7165.60113.8L5 V6 E94L5-R8 PolarHBondContact O-N 3.47Å; V6-R8 PolarHBondContact O-N 3.31Å; R8-E94 IonicContact NH1-OE1 3.91Å; R8-E94 PolarHBondContact NH1-OE1 3.42Å
9C80.7Confident75.6Confident26 Ų2690.1 Ų90.118%0.17644%0.443CS..SBendtrans-129.5157.8-174.1-62.20000112.8V6 S11 Q49 W50 Y53V6-C9 PolarHBondContact O-N 3.35Å; V6-C9 VanDerWaalsContact O-N 3.09Å; C9-S11 PolarHBondContact O-N 2.89Å; C9-Q49 VanDerWaalsContact SG-CD 3.5Å; C9-Q49 VanDerWaalsContact SG-CG 3.58Å; C9-Q49 PolarHBondContact SG-NE2 2.84Å; C9-Q49 VanDerWaalsContact SG-NE2 3.44Å; C9-W50 HydrophobicContact CB-CB 4.43Å; C9-Y53 WeakPolarHBondContact SG-CD2 3.38Å; C9-Y53 WeakPolarHBondContact SG-CE2 3.5Å
10I87Confident76.6Confident134 Ų13485.7 Ų85.769%0.68742%0.422SS*.  trans-66.3115.2171.6-50.6179.6000107.6F47I10-F47 HydrophobicContact CG2-CE1 3.92Å
11S89.5Confident77.5Confident61 Ų6184.2 Ų84.243%0.42742%0.419SS..  trans-74.3141174.4-174.80000110C9 F47 W50C9-S11 PolarHBondContact O-N 2.89Å; S11-F47 WeakPolarHBondContact O-CE1 3.45Å; S11-W50 PolarHBondContact OG-NE1 3.41Å
12P94Very high80.5Confident5 Ų579.6 Ų79.63%0.03239%0.393CS..  trans-62.9161.2165.327.1-30.8000110.6I16 F47 W50P12-I16 HydrophobicContact CB-CB 4.1Å; P12-I16 HydrophobicContact CB-CG2 4.01Å; P12-I16 HydrophobicContact CG-CG2 4.42Å; P12-F47 VanDerWaalsContact CA-CE1 3.5Å; P12-F47 HydrophobicContact CB-CB 4.26Å; P12-F47 HydrophobicContact CB-CD1 3.93Å; P12-F47 HydrophobicContact CB-CD2 3.72Å; P12-F47 HydrophobicContact CB-CE1 4.16Å; P12-F47 HydrophobicContact CB-CE2 3.91Å; P12-F47 HydrophobicContact CB-CG 3.71Å; P12-F47 HydrophobicContact CB-CZ 4.14Å; P12-F47 HydrophobicContact CG-CB 4.45Å; P12-F47 HydrophobicContact CG-CG 4.36Å; P12-W50 VanDerWaalsContact CD-CG 3.44Å; P12-W50 HydrophobicContact CG-CD2 3.82Å; P12-W50 HydrophobicContact CG-CE3 3.71Å; P12-W50 HydrophobicContact CG-CG 4.4Å; P12-W50 HydrophobicContact CG-CH2 4.3Å; P12-W50 HydrophobicContact CG-CZ2 4.37Å; P12-W50 HydrophobicContact CG-CZ3 3.96Å
13P95.2Very high83.2Confident54 Ų5470.9 Ų70.935%0.35135%0.352SS..  trans-45.3142169.7-29.133.2000112.2Y15 I16 S17P13-Y15 HydrophobicContact CB-CD1 3.6Å; P13-Y15 HydrophobicContact CB-CE1 3.25Å; P13-Y15 HydrophobicContact CG-CE1 4.01Å; P13-Y15 PolarHBondContact O-N 2.85Å; P13-Y15 VanDerWaalsContact O-N 3.07Å; P13-I16 HydrophobicContact CB-CD1 4.47Å; P13-I16 HydrophobicContact CB-CG1 4.39Å; P13-I16 HydrophobicContact CG-CD1 4.2Å; P13-I16 WeakPolarHBondContact O-CA 3.49Å; P13-I16 WeakPolarHBondContact O-CB 3.36Å; P13-I16 PolarHBondContact O-N 3.03Å; P13-S17 PolarHBondContact O-N 2.89Å
14E94.7Very high85.5Confident128 Ų12870.1 Ų70.160%0.59835%0.347SS*.Hα-helixtrans-54.9-34.5-171.4-171.1-177.6175.500113.7S17 K18E14-S17 WeakPolarHBondContact CA-OG 3.4Å; E14-S17 PolarHBondContact O-OG 2.89Å; E14-S17 VanDerWaalsContact O-OG 3.05Å; E14-K18 HydrophobicContact CG-CD 4.1Å; E14-K18 HydrophobicContact CG-CG 4.36Å; E14-K18 VanDerWaalsContact O-CB 3.28Å; E14-K18 WeakPolarHBondContact O-CB 3.47Å; E14-K18 VanDerWaalsContact O-CG 3.27Å; E14-K18 WeakPolarHBondContact O-CG 3.45Å; E14-K18 PolarHBondContact O-N 3.24Å; E14-K18 WeakPolarHBondContact OE1-CE 3.4Å; E14-K18 IonicContact OE1-NZ 2.71Å; E14-K18 PolarHBondContact OE1-NZ 3.42Å
15Y95.3Very high87.3Confident162 Ų16266.5 Ų66.564%0.63534%0.336SS*.Hα-helixtrans-66-38.7177.170.8-89.7000112.2P13 Q19P13-Y15 HydrophobicContact CB-CD1 3.6Å; P13-Y15 HydrophobicContact CB-CE1 3.25Å; P13-Y15 HydrophobicContact CG-CE1 4.01Å; P13-Y15 PolarHBondContact O-N 2.85Å; P13-Y15 VanDerWaalsContact O-N 3.07Å; Y15-Q19 WeakPolarHBondContact O-CB 3.37Å; Y15-Q19 PolarHBondContact O-N 3.4Å; Y15-Q19 VanDerWaalsContact O-N 3.08Å
16I95.6Very high89.1Confident7 Ų769.1 Ų69.14%0.03635%0.35CS..Hα-helixtrans-69.7-48.4176-57.7-176.3000109.6P12 P13 K18 Q19 I20 I42P12-I16 HydrophobicContact CB-CB 4.1Å; P12-I16 HydrophobicContact CB-CG2 4.01Å; P12-I16 HydrophobicContact CG-CG2 4.42Å; P13-I16 HydrophobicContact CB-CD1 4.47Å; P13-I16 HydrophobicContact CB-CG1 4.39Å; P13-I16 HydrophobicContact CG-CD1 4.2Å; P13-I16 WeakPolarHBondContact O-CA 3.49Å; P13-I16 WeakPolarHBondContact O-CB 3.36Å; P13-I16 PolarHBondContact O-N 3.03Å; I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 2.9Å; I16-Q19 PolarHBondContact O-N 3.28Å; I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.35Å; I16-I20 PolarHBondContact O-N 3.08Å; I16-I42 HydrophobicContact CG2-CG1 4.41Å
17S95.2Very high90.9Very high18 Ų1868.3 Ų68.313%0.12635%0.345CS..Hα-helixtrans-61.3-42.9-179.262.70000111.6P13 E14 I20 C21P13-S17 PolarHBondContact O-N 2.89Å; E14-S17 WeakPolarHBondContact CA-OG 3.4Å; E14-S17 PolarHBondContact O-OG 2.89Å; E14-S17 VanDerWaalsContact O-OG 3.05Å; S17-I20 PolarHBondContact O-N 2.74Å; S17-C21 WeakPolarHBondContact O-CB 3.4Å; S17-C21 PolarHBondContact O-N 3.24Å; S17-C21 PolarHBondContact O-SG 2.95Å
18K95.5Very high92.7Very high128 Ų12866.4 Ų66.456%0.55733%0.329SS*.Hα-helixtrans-61.9-42.8174.8-77.5179.9179.6169.50112.5E14 I16 C21 F22E14-K18 HydrophobicContact CG-CD 4.1Å; E14-K18 HydrophobicContact CG-CG 4.36Å; E14-K18 VanDerWaalsContact O-CB 3.28Å; E14-K18 WeakPolarHBondContact O-CB 3.47Å; E14-K18 VanDerWaalsContact O-CG 3.27Å; E14-K18 WeakPolarHBondContact O-CG 3.45Å; E14-K18 PolarHBondContact O-N 3.24Å; E14-K18 WeakPolarHBondContact OE1-CE 3.4Å; E14-K18 IonicContact OE1-NZ 2.71Å; E14-K18 PolarHBondContact OE1-NZ 3.42Å; I16-K18 VanDerWaalsContact C-N 3.34Å; I16-K18 PolarHBondContact O-N 2.9Å; K18-C21 WeakPolarHBondContact O-CB 3.45Å; K18-C21 PolarHBondContact O-N 3.14Å; K18-F22 PolarHBondContact O-N 2.89Å
19Q96.3Very high94Very high67 Ų6763.7 Ų63.731%0.31332%0.323SS..Hα-helixtrans-63.7-45.9177.3-174173.9-4.200111.2Y15 I16 C21 F22 I23 E38 I42Y15-Q19 WeakPolarHBondContact O-CB 3.37Å; Y15-Q19 PolarHBondContact O-N 3.4Å; Y15-Q19 VanDerWaalsContact O-N 3.08Å; I16-Q19 PolarHBondContact O-N 3.28Å; Q19-C21 VanDerWaalsContact C-N 3.33Å; Q19-C21 PolarHBondContact O-N 3.47Å; Q19-F22 WeakPolarHBondContact O-CB 3.5Å; Q19-F22 PolarHBondContact O-N 3.14Å; Q19-F22 VanDerWaalsContact O-N 3.14Å; Q19-I23 HydrophobicContact CG-CD1 4.24Å; Q19-I23 WeakPolarHBondContact O-CG1 3.39Å; Q19-I23 PolarHBondContact O-N 3.34Å; Q19-E38 PolarHBondContact NE2-OE1 3.19Å; Q19-I42 HydrophobicContact CB-CD1 4.08Å; Q19-I42 VanDerWaalsContact CD-CD1 3.46Å; Q19-I42 HydrophobicContact CG-CD1 3.72Å
20I96.1Very high94.8Very high2 Ų273.6 Ų73.61%0.0136%0.359CS..Hα-helixtrans-61.6-42174.9-65.5171.9000110.9I16 S17 F22 I23 M24 I39 I42 M43 W50 L51I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.32Å; I16-I20 WeakPolarHBondContact O-CG1 3.35Å; I16-I20 PolarHBondContact O-N 3.08Å; S17-I20 PolarHBondContact O-N 2.74Å; I20-F22 VanDerWaalsContact C-N 3.28Å; I20-F22 PolarHBondContact O-N 3.31Å; I20-I23 PolarHBondContact O-N 3.38Å; I20-M24 HydrophobicContact CG2-CG 4.09Å; I20-M24 WeakPolarHBondContact O-CB 3.48Å; I20-M24 VanDerWaalsContact O-CG 3.23Å; I20-M24 WeakPolarHBondContact O-CG 3.23Å; I20-M24 PolarHBondContact O-N 3.05Å; I20-I39 HydrophobicContact CG1-CG1 4.33Å; I20-I39 HydrophobicContact CG2-CD1 4.18Å; I20-I42 HydrophobicContact CG1-CD1 4Å; I20-M43 HydrophobicContact CD1-CB 4.04Å; I20-M43 HydrophobicContact CD1-CG 3.95Å; I20-M43 HydrophobicContact CD1-SD 3.58Å; I20-M43 VanDerWaalsContact CD1-SD 3.58Å; I20-W50 HydrophobicContact CB-CH2 4.39Å; I20-W50 HydrophobicContact CB-CZ3 4.26Å; I20-W50 HydrophobicContact CD1-CZ3 3.84Å; I20-W50 HydrophobicContact CG2-CH2 4.34Å; I20-W50 HydrophobicContact CG2-CZ3 4.01Å; I20-L51 HydrophobicContact CG2-CD1 3.92Å
21C94.5Very high95.2Very high55 Ų5569 Ų6937%0.37234%0.335SS..Hα-helixtrans-58.9-41.3175-75.30000111.9S17 K18 Q19 N25 R58S17-C21 WeakPolarHBondContact O-CB 3.4Å; S17-C21 PolarHBondContact O-N 3.24Å; S17-C21 PolarHBondContact O-SG 2.95Å; K18-C21 WeakPolarHBondContact O-CB 3.45Å; K18-C21 PolarHBondContact O-N 3.14Å; Q19-C21 VanDerWaalsContact C-N 3.33Å; Q19-C21 PolarHBondContact O-N 3.47Å; C21-N25 WeakPolarHBondContact O-CB 3.38Å; C21-N25 PolarHBondContact O-N 3.35Å; C21-N25 VanDerWaalsContact O-N 3.07Å; C21-N25 PolarHBondContact O-ND2 3.44Å; C21-N25 PolarHBondContact O-OD1 2.95Å; C21-R58 PolarHBondContact O-NH2 2.92Å
22F95.9Very high95.6Very high138 Ų13866.5 Ų66.561%0.60532%0.317SS*.Hα-helixtrans-64.4-46.6175.8178.4-95.4000112.1K18 Q19 I20 M24 N25 N26K18-F22 PolarHBondContact O-N 2.89Å; Q19-F22 WeakPolarHBondContact O-CB 3.5Å; Q19-F22 PolarHBondContact O-N 3.14Å; Q19-F22 VanDerWaalsContact O-N 3.14Å; I20-F22 VanDerWaalsContact C-N 3.28Å; I20-F22 PolarHBondContact O-N 3.31Å; F22-M24 PolarHBondContact O-N 3.07Å; F22-N25 PolarHBondContact O-N 3.28Å; F22-N26 PolarHBondContact O-N 2.88Å; F22-N26 PolarHBondContact O-ND2 3.3Å
23I96.1Very high95.8Very high1 Ų170.7 Ų70.71%0.00534%0.335CS..Hα-helixtrans-55.6-52.2175-71.7168.8000110.2Q19 I20 N25 N26 L27 Q35 E38 I39 I42Q19-I23 HydrophobicContact CG-CD1 4.24Å; Q19-I23 WeakPolarHBondContact O-CG1 3.39Å; Q19-I23 PolarHBondContact O-N 3.34Å; I20-I23 PolarHBondContact O-N 3.38Å; I23-N25 VanDerWaalsContact C-N 3.28Å; I23-N25 PolarHBondContact O-N 3.4Å; I23-N26 CarbonylContact O-C 3.57Å; I23-N26 PolarHBondContact O-N 2.76Å; I23-L27 PolarHBondContact O-N 2.83Å; I23-L27 VanDerWaalsContact O-N 3.16Å; I23-Q35 HydrophobicContact CG2-CB 3.76Å; I23-Q35 HydrophobicContact CG2-CG 4.14Å; I23-E38 HydrophobicContact CD1-CB 4.17Å; I23-E38 HydrophobicContact CD1-CG 3.75Å; I23-I39 HydrophobicContact CB-CD1 4.33Å; I23-I39 HydrophobicContact CB-CG1 4.46Å; I23-I39 HydrophobicContact CD1-CD1 4.43Å; I23-I39 HydrophobicContact CD1-CG1 3.66Å; I23-I39 HydrophobicContact CG2-CD1 3.55Å; I23-I39 HydrophobicContact CG2-CG1 3.91Å; I23-I42 HydrophobicContact CD1-CD1 4.29Å
24M95.5Very high95.9Very high7 Ų771.2 Ų71.23%0.03434%0.34CS..Hα-helixtrans-65.3-29.6-176.2-68.9-62.6-6300113.1I20 F22 N26 L27 I39 I55 R58 Y69 F72I20-M24 HydrophobicContact CG2-CG 4.09Å; I20-M24 WeakPolarHBondContact O-CB 3.48Å; I20-M24 VanDerWaalsContact O-CG 3.23Å; I20-M24 WeakPolarHBondContact O-CG 3.23Å; I20-M24 PolarHBondContact O-N 3.05Å; F22-M24 PolarHBondContact O-N 3.07Å; M24-N26 VanDerWaalsContact C-N 3.3Å; M24-L27 HydrophobicContact CE-CD2 4.13Å; M24-L27 HydrophobicContact SD-CD2 4.14Å; M24-I39 HydrophobicContact SD-CD1 4.25Å; M24-I55 HydrophobicContact CE-CG1 4.03Å; M24-R58 VanDerWaalsContact CB-NE 3.34Å; M24-Y69 HydrophobicContact CE-CD1 4.06Å; M24-Y69 HydrophobicContact CE-CE1 3.99Å; M24-F72 HydrophobicContact SD-CE1 4.33Å; M24-F72 HydrophobicContact SD-CE2 4.09Å; M24-F72 HydrophobicContact SD-CZ 3.97Å
25N94Very high96Very high107 Ų10766.5 Ų66.557%0.57232%0.318SS*.Hα-helixtrans-70.2-26.8175.1-74.6-15.5000113C21 F22 I23 R58C21-N25 WeakPolarHBondContact O-CB 3.38Å; C21-N25 PolarHBondContact O-N 3.35Å; C21-N25 VanDerWaalsContact O-N 3.07Å; C21-N25 PolarHBondContact O-ND2 3.44Å; C21-N25 PolarHBondContact O-OD1 2.95Å; F22-N25 PolarHBondContact O-N 3.28Å; I23-N25 VanDerWaalsContact C-N 3.28Å; I23-N25 PolarHBondContact O-N 3.4Å; N25-R58 VanDerWaalsContact OD1-CZ 3.3Å; N25-R58 PolarHBondContact OD1-NH1 3.01Å; N25-R58 PolarHBondContact OD1-NH2 3.36Å
26N95.4Very high96.1Very high79 Ų7958.8 Ų58.842%0.42229%0.287SS..THydrogen-bonded Turntrans-104.511.2-178.3-65.3-69000112.4F22 I23 M24 T28 N31F22-N26 PolarHBondContact O-N 2.88Å; F22-N26 PolarHBondContact O-ND2 3.3Å; I23-N26 CarbonylContact O-C 3.57Å; I23-N26 PolarHBondContact O-N 2.76Å; M24-N26 VanDerWaalsContact C-N 3.3Å; N26-T28 PolarHBondContact O-N 3.06Å; N26-N31 PolarHBondContact O-ND2 3.16Å
27L96.6Very high96.2Very high2 Ų261.1 Ų61.11%0.0130%0.3CS..  trans-70.4126.7-175.3-163.369.1000110.9I23 M24 L32 Q35 Q65 V68 Y69 F72I23-L27 PolarHBondContact O-N 2.83Å; I23-L27 VanDerWaalsContact O-N 3.16Å; M24-L27 HydrophobicContact CE-CD2 4.13Å; M24-L27 HydrophobicContact SD-CD2 4.14Å; L27-L32 HydrophobicContact CD1-CD1 3.79Å; L27-L32 HydrophobicContact CD2-CD1 4.09Å; L27-L32 HydrophobicContact CG-CD1 4.01Å; L27-Q35 HydrophobicContact CD1-CB 3.62Å; L27-Q35 HydrophobicContact CD1-CG 3.88Å; L27-Q65 PolarHBondContact O-NE2 3.41Å; L27-V68 HydrophobicContact CB-CG1 4.44Å; L27-V68 HydrophobicContact CD2-CG1 3.76Å; L27-V68 HydrophobicContact CG-CG1 3.71Å; L27-Y69 HydrophobicContact CD2-CD1 4.23Å; L27-Y69 HydrophobicContact CD2-CE1 4.43Å; L27-F72 HydrophobicContact CD1-CD2 4.14Å; L27-F72 HydrophobicContact CD2-CB 4.12Å; L27-F72 HydrophobicContact CD2-CD2 3.74Å; L27-F72 HydrophobicContact CD2-CE2 4.48Å; L27-F72 HydrophobicContact CD2-CG 4.08Å
28T96.2Very high96.3Very high59 Ų5963.6 Ų63.636%0.36231%0.309SS..  trans-135.6169177.866.60000109.7N26 Y30 N31 L32N26-T28 PolarHBondContact O-N 3.06Å; T28-Y30 PolarHBondContact O-N 3Å; T28-Y30 PolarHBondContact OG1-N 3.41Å; T28-N31 WeakPolarHBondContact CA-OD1 3.33Å; T28-N31 PolarHBondContact N-OD1 3Å; T28-N31 PolarHBondContact O-OD1 3.2Å; T28-N31 VanDerWaalsContact OG1-CG 3.23Å; T28-N31 PolarHBondContact OG1-N 3.03Å; T28-N31 PolarHBondContact OG1-OD1 3.4Å; T28-L32 WeakPolarHBondContact O-CB 3.32Å; T28-L32 PolarHBondContact O-N 3.23Å
29E94.9Very high96.4Very high98 Ų9857.5 Ų57.546%0.45828%0.283SS..THydrogen-bonded Turntrans-63.7-30.8174.5-60.6-157.4160.400112.9V68 K71E29-V68 HydrophobicContact CG-CG2 3.92Å; E29-K71 IonicContact OE1-NZ 2.73Å; E29-K71 PolarHBondContact OE1-NZ 3.39Å; E29-K71 IonicContact OE2-NZ 2.68Å; E29-K71 PolarHBondContact OE2-NZ 2.98Å
30Y96.4Very high96.4Very high234 Ų23455.8 Ų55.892%0.91828%0.277SS*.THydrogen-bonded Turntrans-76.1-37.4-175.8-61.6-74.6000113.4T28T28-Y30 PolarHBondContact O-N 3Å; T28-Y30 PolarHBondContact OG1-N 3.41Å
31N97.1Very high96.4Very high37 Ų3761.4 Ų61.420%0.19831%0.312CS..THydrogen-bonded Turntrans-962-179.668.70000113.3N26 T28 K33 S34 Q35N26-N31 PolarHBondContact O-ND2 3.16Å; T28-N31 WeakPolarHBondContact CA-OD1 3.33Å; T28-N31 PolarHBondContact N-OD1 3Å; T28-N31 PolarHBondContact O-OD1 3.2Å; T28-N31 VanDerWaalsContact OG1-CG 3.23Å; T28-N31 PolarHBondContact OG1-N 3.03Å; T28-N31 PolarHBondContact OG1-OD1 3.4Å; N31-K33 VanDerWaalsContact C-N 3.35Å; N31-K33 PolarHBondContact O-N 3.4Å; N31-S34 PolarHBondContact O-N 2.88Å; N31-S34 PolarHBondContact O-OG 3.03Å; N31-Q35 HydrophobicContact CB-CG 4.15Å; N31-Q35 VanDerWaalsContact O-CG 3.32Å; N31-Q35 WeakPolarHBondContact O-CG 3.49Å; N31-Q35 PolarHBondContact O-N 2.79Å
32L97.2Very high96.5Very high8 Ų860.7 Ų60.74%0.04230%0.304CS..Hα-helixtrans-51.7-48.4-169.9-169.162.1000113.6L27 T28 Q35 V36 V68 K71 F72 M75L27-L32 HydrophobicContact CD1-CD1 3.79Å; L27-L32 HydrophobicContact CD2-CD1 4.09Å; L27-L32 HydrophobicContact CG-CD1 4.01Å; T28-L32 WeakPolarHBondContact O-CB 3.32Å; T28-L32 PolarHBondContact O-N 3.23Å; L32-Q35 PolarHBondContact O-N 3.45Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 3.35Å; L32-V68 HydrophobicContact CD1-CG1 4.16Å; L32-K71 HydrophobicContact CD2-CB 3.4Å; L32-K71 HydrophobicContact CD2-CD 4.36Å; L32-F72 HydrophobicContact CD1-CB 3.84Å; L32-F72 HydrophobicContact CD1-CD2 3.96Å; L32-F72 HydrophobicContact CD1-CG 4.42Å; L32-M75 HydrophobicContact CB-SD 4.39Å; L32-M75 HydrophobicContact CD2-SD 3.4Å; L32-M75 WeakPolarHBondContact CD2-SD 3.37Å; L32-M75 HydrophobicContact CG-CE 4.5Å; L32-M75 HydrophobicContact CG-SD 3.62Å
33K97.2Very high96.5Very high94 Ų9454.3 Ų54.341%0.40928%0.276SS..Hα-helixtrans-61.7-50-178.9-177.954.8-178.9154.10112.3N31 Q35 V36 D37 M75N31-K33 VanDerWaalsContact C-N 3.35Å; N31-K33 PolarHBondContact O-N 3.4Å; K33-Q35 VanDerWaalsContact C-N 3.3Å; K33-Q35 PolarHBondContact O-N 3.32Å; K33-V36 PolarHBondContact O-N 3.24Å; K33-D37 WeakPolarHBondContact CE-OD1 3.19Å; K33-D37 WeakPolarHBondContact CE-OD2 3.39Å; K33-D37 IonicContact NZ-OD1 2.79Å; K33-D37 PolarHBondContact NZ-OD1 3.11Å; K33-D37 IonicContact NZ-OD2 2.9Å; K33-D37 VanDerWaalsContact O-CG 3.28Å; K33-D37 PolarHBondContact O-N 3.2Å; K33-M75 VanDerWaalsContact CA-CE 3.5Å; K33-M75 HydrophobicContact CB-CE 3.68Å; K33-M75 HydrophobicContact CD-CE 3.46Å; K33-M75 VanDerWaalsContact CD-CE 3.46Å; K33-M75 HydrophobicContact CG-CE 4.12Å
34S97.6Very high96.4Very high64 Ų6456.8 Ų56.845%0.44829%0.292SS..Hα-helixtrans-65.2-35.7-178.858.50000112.2N31 D37 E38N31-S34 PolarHBondContact O-N 2.88Å; N31-S34 PolarHBondContact O-OG 3.03Å; S34-D37 PolarHBondContact O-N 3.47Å; S34-E38 WeakPolarHBondContact O-CB 3.39Å; S34-E38 PolarHBondContact O-N 3.06Å
35Q97.5Very high96.3Very high29 Ų2962 Ų6214%0.13631%0.312CS..Hα-helixtrans-68-37.3175.6-64-51.2-66.300112.5I23 L27 N31 L32 K33 I39I23-Q35 HydrophobicContact CG2-CB 3.76Å; I23-Q35 HydrophobicContact CG2-CG 4.14Å; L27-Q35 HydrophobicContact CD1-CB 3.62Å; L27-Q35 HydrophobicContact CD1-CG 3.88Å; N31-Q35 HydrophobicContact CB-CG 4.15Å; N31-Q35 VanDerWaalsContact O-CG 3.32Å; N31-Q35 WeakPolarHBondContact O-CG 3.49Å; N31-Q35 PolarHBondContact O-N 2.79Å; L32-Q35 PolarHBondContact O-N 3.45Å; K33-Q35 VanDerWaalsContact C-N 3.3Å; K33-Q35 PolarHBondContact O-N 3.32Å; Q35-I39 WeakPolarHBondContact O-CG1 3.37Å; Q35-I39 PolarHBondContact O-N 3.41Å
36V97.9Very high96.2Very high0 Ų063 Ų630%031%0.313CS..Hα-helixtrans-63.6-45.4172.6169.10000110.8L32 K33 E38 I39 T40 F72 M75 I76L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 3.35Å; K33-V36 PolarHBondContact O-N 3.24Å; V36-E38 VanDerWaalsContact C-N 3.33Å; V36-E38 PolarHBondContact O-N 2.82Å; V36-I39 PolarHBondContact O-N 2.93Å; V36-T40 HydrophobicContact CG1-CG2 4.32Å; V36-T40 WeakPolarHBondContact O-CB 3.32Å; V36-T40 VanDerWaalsContact O-CG2 3.25Å; V36-T40 WeakPolarHBondContact O-CG2 3.2Å; V36-T40 PolarHBondContact O-N 3.21Å; V36-T40 PolarHBondContact O-OG1 3.32Å; V36-F72 HydrophobicContact CG2-CD2 3.62Å; V36-F72 HydrophobicContact CG2-CE2 3.67Å; V36-F72 HydrophobicContact CG2-CG 4.46Å; V36-M75 HydrophobicContact CG1-CB 4.44Å; V36-M75 HydrophobicContact CG2-CB 4.08Å; V36-I76 HydrophobicContact CG1-CB 4.13Å; V36-I76 HydrophobicContact CG1-CG1 4.18Å
37D97.4Very high96.2Very high56 Ų5660 Ų6030%0.29930%0.296SS..Hα-helixtrans-63.4-38.6178.9-64-23.4000111.7K33 S34 T40 T41 H79K33-D37 WeakPolarHBondContact CE-OD1 3.19Å; K33-D37 WeakPolarHBondContact CE-OD2 3.39Å; K33-D37 IonicContact NZ-OD1 2.79Å; K33-D37 PolarHBondContact NZ-OD1 3.11Å; K33-D37 IonicContact NZ-OD2 2.9Å; K33-D37 VanDerWaalsContact O-CG 3.28Å; K33-D37 PolarHBondContact O-N 3.2Å; S34-D37 PolarHBondContact O-N 3.47Å; D37-T40 WeakPolarHBondContact CA-OG1 3.47Å; D37-T40 PolarHBondContact O-OG1 3.17Å; D37-T41 WeakPolarHBondContact O-CB 3.48Å; D37-T41 PolarHBondContact O-N 2.95Å; D37-T41 VanDerWaalsContact O-N 3.08Å; D37-T41 PolarHBondContact O-OG1 3.22Å; D37-H79 IonicContact OD1-CE1 2.61Å; D37-H79 IonicContact OD1-NE2 3.34Å
38E97.3Very high96.2Very high70 Ų7060.2 Ų60.233%0.32730%0.298SS..Hα-helixtrans-64.2-49174.8-171.8177.3164.600111.9Q19 I23 S34 V36 T40 T41 I42Q19-E38 PolarHBondContact NE2-OE1 3.19Å; I23-E38 HydrophobicContact CD1-CB 4.17Å; I23-E38 HydrophobicContact CD1-CG 3.75Å; S34-E38 WeakPolarHBondContact O-CB 3.39Å; S34-E38 PolarHBondContact O-N 3.06Å; V36-E38 VanDerWaalsContact C-N 3.33Å; V36-E38 PolarHBondContact O-N 2.82Å; E38-T40 VanDerWaalsContact C-N 3.32Å; E38-T40 PolarHBondContact O-N 2.68Å; E38-T41 WeakPolarHBondContact O-CB 3.4Å; E38-T41 PolarHBondContact O-N 2.95Å; E38-I42 WeakPolarHBondContact O-CG1 3.48Å; E38-I42 PolarHBondContact O-N 2.71Å; E38-I42 VanDerWaalsContact O-N 3.14Å
39I97.4Very high96.1Very high0 Ų061.8 Ų61.80%030%0.301CS..Hα-helixtrans-59.7-44.8178.4-72.4178.4000110.9I20 I23 M24 Q35 V36 T41 I42 M43 L51 F72 I76I20-I39 HydrophobicContact CG1-CG1 4.33Å; I20-I39 HydrophobicContact CG2-CD1 4.18Å; I23-I39 HydrophobicContact CB-CD1 4.33Å; I23-I39 HydrophobicContact CB-CG1 4.46Å; I23-I39 HydrophobicContact CD1-CD1 4.43Å; I23-I39 HydrophobicContact CD1-CG1 3.66Å; I23-I39 HydrophobicContact CG2-CD1 3.55Å; I23-I39 HydrophobicContact CG2-CG1 3.91Å; M24-I39 HydrophobicContact SD-CD1 4.25Å; Q35-I39 WeakPolarHBondContact O-CG1 3.37Å; Q35-I39 PolarHBondContact O-N 3.41Å; V36-I39 PolarHBondContact O-N 2.93Å; I39-T41 PolarHBondContact O-N 2.7Å; I39-I42 PolarHBondContact O-N 3.25Å; I39-M43 HydrophobicContact CG2-CB 4.34Å; I39-M43 HydrophobicContact CG2-CE 4.14Å; I39-M43 WeakPolarHBondContact O-CB 3.24Å; I39-M43 PolarHBondContact O-N 2.9Å; I39-L51 HydrophobicContact CG2-CD2 4.13Å; I39-F72 HydrophobicContact CD1-CE2 3.83Å; I39-F72 HydrophobicContact CD1-CZ 3.61Å; I39-I76 HydrophobicContact CG2-CD1 3.89Å
40T96.6Very high96.1Very high31 Ų3157.7 Ų57.719%0.1928%0.281CS..Hα-helixtrans-68-24.7-178.5550000113V36 D37 E38 I76 H79 Y80V36-T40 HydrophobicContact CG1-CG2 4.32Å; V36-T40 WeakPolarHBondContact O-CB 3.32Å; V36-T40 VanDerWaalsContact O-CG2 3.25Å; V36-T40 WeakPolarHBondContact O-CG2 3.2Å; V36-T40 PolarHBondContact O-N 3.21Å; V36-T40 PolarHBondContact O-OG1 3.32Å; D37-T40 WeakPolarHBondContact CA-OG1 3.47Å; D37-T40 PolarHBondContact O-OG1 3.17Å; E38-T40 VanDerWaalsContact C-N 3.32Å; E38-T40 PolarHBondContact O-N 2.68Å; T40-I76 HydrophobicContact CG2-CD1 4.32Å; T40-I76 HydrophobicContact CG2-CG1 3.87Å; T40-H79 HydrophobicContact CG2-CB 3.58Å; T40-Y80 WeakPolarHBondContact CA-OH 3.39Å; T40-Y80 HydrophobicContact CG2-CE2 4.13Å
41T96.8Very high96.1Very high121 Ų12146.5 Ų46.574%0.74224%0.237SC*.Hα-helixtrans-73.9-42.7173.4-60.10000112D37 E38 I39D37-T41 WeakPolarHBondContact O-CB 3.48Å; D37-T41 PolarHBondContact O-N 2.95Å; D37-T41 VanDerWaalsContact O-N 3.08Å; D37-T41 PolarHBondContact O-OG1 3.22Å; E38-T41 WeakPolarHBondContact O-CB 3.4Å; E38-T41 PolarHBondContact O-N 2.95Å; I39-T41 PolarHBondContact O-N 2.7Å
42I95.9Very high96.1Very high39 Ų3944.8 Ų44.820%0.223%0.228CC..Hα-helixtrans-90.7-23-173.168.2179.8000113.8I16 Q19 I20 I23 E38 I39 P44I16-I42 HydrophobicContact CG2-CG1 4.41Å; Q19-I42 HydrophobicContact CB-CD1 4.08Å; Q19-I42 VanDerWaalsContact CD-CD1 3.46Å; Q19-I42 HydrophobicContact CG-CD1 3.72Å; I20-I42 HydrophobicContact CG1-CD1 4Å; I23-I42 HydrophobicContact CD1-CD1 4.29Å; E38-I42 WeakPolarHBondContact O-CG1 3.48Å; E38-I42 PolarHBondContact O-N 2.71Å; E38-I42 VanDerWaalsContact O-N 3.14Å; I39-I42 PolarHBondContact O-N 3.25Å; I42-P44 WeakPolarHBondContact O-CD 3.25Å
43M95.1Very high96Very high5 Ų545.1 Ų45.13%0.02523%0.229CC..SBendtrans-107114.6-170.9-166-175.264.600112.2I20 I39 F47 T48 L51 Y80I20-M43 HydrophobicContact CD1-CB 4.04Å; I20-M43 HydrophobicContact CD1-CG 3.95Å; I20-M43 HydrophobicContact CD1-SD 3.58Å; I20-M43 VanDerWaalsContact CD1-SD 3.58Å; I39-M43 HydrophobicContact CG2-CB 4.34Å; I39-M43 HydrophobicContact CG2-CE 4.14Å; I39-M43 WeakPolarHBondContact O-CB 3.24Å; I39-M43 PolarHBondContact O-N 2.9Å; M43-F47 HydrophobicContact CG-CB 3.94Å; M43-F47 HydrophobicContact SD-CB 4.14Å; M43-T48 HydrophobicContact CE-CG2 4.38Å; M43-L51 HydrophobicContact CE-CB 3.86Å; M43-L51 HydrophobicContact CE-CD2 3.41Å; M43-L51 VanDerWaalsContact CE-CD2 3.41Å; M43-L51 HydrophobicContact CE-CG 4.2Å; M43-L51 HydrophobicContact SD-CB 3.82Å; M43-L51 HydrophobicContact SD-CD2 4.17Å; M43-L51 HydrophobicContact SD-CG 4.44Å; M43-Y80 HydrophobicContact CE-CD2 4.36Å; M43-Y80 HydrophobicContact CE-CE2 3.37Å; M43-Y80 WeakPolarHBondContact CE-OH 3.38Å; M43-Y80 PolarHBondContact O-OH 3.1Å
44P94Very high95.9Very high52 Ų5241.6 Ų41.634%0.33822%0.216SC..  trans-60.6151.2170.4-28.234.3000114.5I42 H46 F47I42-P44 WeakPolarHBondContact O-CD 3.25Å; P44-H46 WeakPolarHBondContact CB-CE1 3.41Å; P44-H46 WeakPolarHBondContact CB-ND1 3.35Å; P44-H46 PolarHBondContact O-N 2.76Å; P44-H46 VanDerWaalsContact O-N 3.11Å; P44-F47 HydrophobicContact CB-CD2 4.04Å; P44-F47 HydrophobicContact CB-CE2 4.32Å; P44-F47 HydrophobicContact CG-CD2 4.09Å; P44-F47 HydrophobicContact CG-CE2 4.08Å; P44-F47 PolarHBondContact O-N 3.05Å
45Y93.3Very high95.8Very high118 Ų11838.6 Ų38.646%0.46320%0.195SC..G310 helixtrans-54.4-32.9-179.9-171.5-92.7000114F47 T48 Y80 T81Y45-F47 PolarHBondContact O-N 3.09Å; Y45-T48 HydrophobicContact CD2-CG2 4.3Å; Y45-T48 WeakPolarHBondContact O-CB 3.46Å; Y45-T48 WeakPolarHBondContact O-CG2 3.33Å; Y45-T48 PolarHBondContact O-N 3.32Å; Y45-T48 VanDerWaalsContact O-N 3.16Å; Y45-T48 PolarHBondContact O-OG1 3.38Å; Y45-Y80 AromaticContact CD2-CD1 3.72Å; Y45-Y80 HydrophobicContact CD2-CD1 3.72Å; Y45-Y80 HydrophobicContact CD2-CE1 4.46Å; Y45-Y80 HydrophobicContact CD2-CG 4.39Å; Y45-Y80 HydrophobicContact CE2-CD1 4.32Å; Y45-T81 PolarHBondContact OH-O 2.81Å
46H93.2Very high95.8Very high126 Ų12637.2 Ų37.258%0.58319%0.188SC*.G310 helixtrans-70.5-9-178.859.1-94.5000114.5P44P44-H46 WeakPolarHBondContact CB-CE1 3.41Å; P44-H46 WeakPolarHBondContact CB-ND1 3.35Å; P44-H46 PolarHBondContact O-N 2.76Å; P44-H46 VanDerWaalsContact O-N 3.11Å
47F95.2Very high95.7Very high17 Ų1739 Ų398%0.07520%0.198CC..G310 helixtrans-100.74.9173.2-59.2-59.2000113.6I10 S11 P12 M43 P44 Y45 Q49 W50 L51I10-F47 HydrophobicContact CG2-CE1 3.92Å; S11-F47 WeakPolarHBondContact O-CE1 3.45Å; P12-F47 VanDerWaalsContact CA-CE1 3.5Å; P12-F47 HydrophobicContact CB-CB 4.26Å; P12-F47 HydrophobicContact CB-CD1 3.93Å; P12-F47 HydrophobicContact CB-CD2 3.72Å; P12-F47 HydrophobicContact CB-CE1 4.16Å; P12-F47 HydrophobicContact CB-CE2 3.91Å; P12-F47 HydrophobicContact CB-CG 3.71Å; P12-F47 HydrophobicContact CB-CZ 4.14Å; P12-F47 HydrophobicContact CG-CB 4.45Å; P12-F47 HydrophobicContact CG-CG 4.36Å; M43-F47 HydrophobicContact CG-CB 3.94Å; M43-F47 HydrophobicContact SD-CB 4.14Å; P44-F47 HydrophobicContact CB-CD2 4.04Å; P44-F47 HydrophobicContact CB-CE2 4.32Å; P44-F47 HydrophobicContact CG-CD2 4.09Å; P44-F47 HydrophobicContact CG-CE2 4.08Å; P44-F47 PolarHBondContact O-N 3.05Å; Y45-F47 PolarHBondContact O-N 3.09Å; F47-Q49 PolarHBondContact O-N 3.08Å; F47-W50 WeakPolarHBondContact O-CB 3.05Å; F47-W50 PolarHBondContact O-N 3.32Å; F47-L51 PolarHBondContact O-N 2.92Å
48T95.4Very high95.6Very high7 Ų737.7 Ų37.74%0.04319%0.189CC..Hα-helixtrans-56.8-36.917947.90000112.8M43 Y45 W50 L51 A52 Y80 F83M43-T48 HydrophobicContact CE-CG2 4.38Å; Y45-T48 HydrophobicContact CD2-CG2 4.3Å; Y45-T48 WeakPolarHBondContact O-CB 3.46Å; Y45-T48 WeakPolarHBondContact O-CG2 3.33Å; Y45-T48 PolarHBondContact O-N 3.32Å; Y45-T48 VanDerWaalsContact O-N 3.16Å; Y45-T48 PolarHBondContact O-OG1 3.38Å; T48-W50 VanDerWaalsContact C-N 3.35Å; T48-W50 PolarHBondContact O-N 3.27Å; T48-L51 WeakPolarHBondContact O-CB 3.38Å; T48-L51 PolarHBondContact O-N 3.45Å; T48-A52 WeakPolarHBondContact O-CB 3.4Å; T48-A52 PolarHBondContact O-N 3.1Å; T48-Y80 HydrophobicContact CG2-CD1 3.91Å; T48-Y80 HydrophobicContact CG2-CD2 3.6Å; T48-Y80 HydrophobicContact CG2-CE1 4.24Å; T48-Y80 HydrophobicContact CG2-CE2 3.98Å; T48-Y80 HydrophobicContact CG2-CG 3.56Å; T48-F83 HydrophobicContact CG2-CD2 4.29Å; T48-F83 WeakPolarHBondContact O-CE2 3.45Å
49Q95Very high95.6Very high91 Ų9134.3 Ų34.343%0.42517%0.173SC..Hα-helixtrans-64.2-38.9175.8-164.4-178-800112.5C9 F47 L51 A52 Y53 M86 I90C9-Q49 VanDerWaalsContact SG-CD 3.5Å; C9-Q49 VanDerWaalsContact SG-CG 3.58Å; C9-Q49 PolarHBondContact SG-NE2 2.84Å; C9-Q49 VanDerWaalsContact SG-NE2 3.44Å; F47-Q49 PolarHBondContact O-N 3.08Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-A52 PolarHBondContact O-N 2.97Å; Q49-Y53 HydrophobicContact CG-CD2 4.21Å; Q49-Y53 HydrophobicContact CG-CE2 4.05Å; Q49-Y53 VanDerWaalsContact O-CD2 3.3Å; Q49-Y53 WeakPolarHBondContact O-CD2 3.36Å; Q49-Y53 PolarHBondContact O-N 2.63Å; Q49-Y53 VanDerWaalsContact O-N 3.1Å; Q49-M86 HydrophobicContact CB-SD 4Å; Q49-M86 HydrophobicContact CG-SD 4.25Å; Q49-I90 HydrophobicContact CG-CD1 4.3Å
50W95.3Very high95.6Very high12 Ų1235.3 Ų35.35%0.04518%0.181CC..Hα-helixtrans-64.3-40.7173.317595000111.3C9 S11 P12 I20 F47 T48 Y53 S54C9-W50 HydrophobicContact CB-CB 4.43Å; S11-W50 PolarHBondContact OG-NE1 3.41Å; P12-W50 VanDerWaalsContact CD-CG 3.44Å; P12-W50 HydrophobicContact CG-CD2 3.82Å; P12-W50 HydrophobicContact CG-CE3 3.71Å; P12-W50 HydrophobicContact CG-CG 4.4Å; P12-W50 HydrophobicContact CG-CH2 4.3Å; P12-W50 HydrophobicContact CG-CZ2 4.37Å; P12-W50 HydrophobicContact CG-CZ3 3.96Å; I20-W50 HydrophobicContact CB-CH2 4.39Å; I20-W50 HydrophobicContact CB-CZ3 4.26Å; I20-W50 HydrophobicContact CD1-CZ3 3.84Å; I20-W50 HydrophobicContact CG2-CH2 4.34Å; I20-W50 HydrophobicContact CG2-CZ3 4.01Å; F47-W50 WeakPolarHBondContact O-CB 3.05Å; F47-W50 PolarHBondContact O-N 3.32Å; T48-W50 VanDerWaalsContact C-N 3.35Å; T48-W50 PolarHBondContact O-N 3.27Å; W50-Y53 PolarHBondContact O-N 2.74Å; W50-S54 WeakPolarHBondContact O-CB 3.46Å; W50-S54 PolarHBondContact O-N 3.19Å; W50-S54 PolarHBondContact O-OG 3.4Å
51L96.1Very high95.5Very high0 Ų037.2 Ų37.20%020%0.196CC..Hα-helixtrans-62.5-44175179.462.7000111.1I20 I39 M43 F47 T48 Q49 Y53 S54 I55 F72 I76 F83I20-L51 HydrophobicContact CG2-CD1 3.92Å; I39-L51 HydrophobicContact CG2-CD2 4.13Å; M43-L51 HydrophobicContact CE-CB 3.86Å; M43-L51 HydrophobicContact CE-CD2 3.41Å; M43-L51 VanDerWaalsContact CE-CD2 3.41Å; M43-L51 HydrophobicContact CE-CG 4.2Å; M43-L51 HydrophobicContact SD-CB 3.82Å; M43-L51 HydrophobicContact SD-CD2 4.17Å; M43-L51 HydrophobicContact SD-CG 4.44Å; F47-L51 PolarHBondContact O-N 2.92Å; T48-L51 WeakPolarHBondContact O-CB 3.38Å; T48-L51 PolarHBondContact O-N 3.45Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; L51-Y53 PolarHBondContact O-N 3.16Å; L51-S54 WeakPolarHBondContact O-CB 3.44Å; L51-S54 PolarHBondContact O-N 3.22Å; L51-S54 VanDerWaalsContact O-N 3.1Å; L51-I55 HydrophobicContact CD1-CD1 4.19Å; L51-I55 HydrophobicContact CD1-CG1 4.21Å; L51-I55 HydrophobicContact CD2-CD1 4.48Å; L51-I55 HydrophobicContact CG-CD1 3.92Å; L51-I55 HydrophobicContact CG-CG1 4.39Å; L51-I55 WeakPolarHBondContact O-CG1 3.21Å; L51-I55 PolarHBondContact O-N 3.02Å; L51-F72 HydrophobicContact CD2-CE1 4.41Å; L51-I76 HydrophobicContact CD2-CD1 3.54Å; L51-F83 HydrophobicContact CB-CE2 4.37Å; L51-F83 HydrophobicContact CB-CZ 4.49Å; L51-F83 HydrophobicContact CD2-CE2 4.15Å; L51-F83 HydrophobicContact CD2-CZ 3.99Å; L51-F83 HydrophobicContact CG-CE2 4.33Å; L51-F83 HydrophobicContact CG-CZ 4.04Å
52A96.2Very high95.5Very high0 Ų034.1 Ų34.10%017%0.173CC..Hα-helixtrans-58.2-47.2178.700000112.2T48 Q49 S54 I55 L56 F83 M86 M87 I90T48-A52 WeakPolarHBondContact O-CB 3.4Å; T48-A52 PolarHBondContact O-N 3.1Å; Q49-A52 PolarHBondContact O-N 2.97Å; A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 2.99Å; A52-I55 PolarHBondContact O-N 3.34Å; A52-L56 WeakPolarHBondContact O-CB 3.16Å; A52-L56 PolarHBondContact O-N 3.24Å; A52-F83 HydrophobicContact CB-CE2 4.2Å; A52-F83 HydrophobicContact CB-CZ 4.22Å; A52-M86 HydrophobicContact CB-SD 4.14Å; A52-M87 WeakPolarHBondContact CA-SD 3.39Å; A52-M87 HydrophobicContact CB-SD 3.45Å; A52-M87 WeakPolarHBondContact CB-SD 3.3Å; A52-I90 HydrophobicContact CB-CD1 3.71Å
53Y95.5Very high95.4Very high16 Ų1634.9 Ų34.96%0.06318%0.181CC..Hα-helixtrans-65.6-35.4173.9-81.1-67.9000113.2L5 C9 Q49 W50 L51 L56 N57 I90L5-Y53 HydrophobicContact CB-CD1 3.57Å; L5-Y53 HydrophobicContact CB-CE1 4Å; L5-Y53 HydrophobicContact CB-CG 4.41Å; C9-Y53 WeakPolarHBondContact SG-CD2 3.38Å; C9-Y53 WeakPolarHBondContact SG-CE2 3.5Å; Q49-Y53 HydrophobicContact CG-CD2 4.21Å; Q49-Y53 HydrophobicContact CG-CE2 4.05Å; Q49-Y53 VanDerWaalsContact O-CD2 3.3Å; Q49-Y53 WeakPolarHBondContact O-CD2 3.36Å; Q49-Y53 PolarHBondContact O-N 2.63Å; Q49-Y53 VanDerWaalsContact O-N 3.1Å; W50-Y53 PolarHBondContact O-N 2.74Å; L51-Y53 PolarHBondContact O-N 3.16Å; Y53-L56 HydrophobicContact CD1-CD2 4.49Å; Y53-L56 PolarHBondContact O-N 3.04Å; Y53-N57 PolarHBondContact O-N 3.1Å; Y53-N57 PolarHBondContact O-ND2 3.33Å; Y53-I90 HydrophobicContact CD1-CG2 3.74Å; Y53-I90 HydrophobicContact CD2-CD1 4.11Å; Y53-I90 HydrophobicContact CE1-CG2 3.45Å; Y53-I90 VanDerWaalsContact CE1-CG2 3.45Å; Y53-I90 HydrophobicContact CE2-CD1 3.87Å; Y53-I90 HydrophobicContact CE2-CG1 4.33Å; Y53-I90 HydrophobicContact CG-CG2 4.46Å
54S95Very high95.4Very high20 Ų2039.3 Ų39.314%0.1421%0.212CC..Hα-helixtrans-64-41.3175.7-62.70000112W50 L51 A52 R58W50-S54 WeakPolarHBondContact O-CB 3.46Å; W50-S54 PolarHBondContact O-N 3.19Å; W50-S54 PolarHBondContact O-OG 3.4Å; L51-S54 WeakPolarHBondContact O-CB 3.44Å; L51-S54 PolarHBondContact O-N 3.22Å; L51-S54 VanDerWaalsContact O-N 3.1Å; A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 2.99Å; S54-R58 WeakPolarHBondContact O-CG 3.33Å; S54-R58 PolarHBondContact O-N 3.32Å
55I96.5Very high95.5Very high0 Ų039.6 Ų39.60%021%0.209CC..Hα-helixtrans-66.3-44.4173.5-64.4165.8000110.4M24 L51 A52 N57 R58 I59 F72 I73 F83 M87M24-I55 HydrophobicContact CE-CG1 4.03Å; L51-I55 HydrophobicContact CD1-CD1 4.19Å; L51-I55 HydrophobicContact CD1-CG1 4.21Å; L51-I55 HydrophobicContact CD2-CD1 4.48Å; L51-I55 HydrophobicContact CG-CD1 3.92Å; L51-I55 HydrophobicContact CG-CG1 4.39Å; L51-I55 WeakPolarHBondContact O-CG1 3.21Å; L51-I55 PolarHBondContact O-N 3.02Å; A52-I55 PolarHBondContact O-N 3.34Å; I55-N57 VanDerWaalsContact C-N 3.28Å; I55-N57 PolarHBondContact O-N 2.94Å; I55-R58 WeakPolarHBondContact O-CA 3.49Å; I55-R58 WeakPolarHBondContact O-CB 3.42Å; I55-R58 PolarHBondContact O-N 3.44Å; I55-I59 HydrophobicContact CG2-CD1 3.82Å; I55-I59 HydrophobicContact CG2-CG1 4.3Å; I55-I59 WeakPolarHBondContact O-CG1 3.47Å; I55-I59 PolarHBondContact O-N 2.85Å; I55-F72 HydrophobicContact CD1-CD1 3.86Å; I55-F72 HydrophobicContact CD1-CE1 3.61Å; I55-F72 HydrophobicContact CG1-CE1 4.42Å; I55-I73 HydrophobicContact CD1-CG1 4.37Å; I55-I73 HydrophobicContact CG2-CD1 4.09Å; I55-I73 HydrophobicContact CG2-CG1 4.34Å; I55-F83 HydrophobicContact CD1-CE1 3.98Å; I55-F83 HydrophobicContact CD1-CZ 3.77Å; I55-M87 HydrophobicContact CB-CE 4.27Å; I55-M87 HydrophobicContact CG2-CE 3.98Å
56L97Very high95.7Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-59-40.2179.4-171.970.7000112.3L5 A52 Y53 R58 I59 A60 I90 L91 E94 F115L5-L56 HydrophobicContact CD1-CD2 3.88Å; A52-L56 WeakPolarHBondContact O-CB 3.16Å; A52-L56 PolarHBondContact O-N 3.24Å; Y53-L56 HydrophobicContact CD1-CD2 4.49Å; Y53-L56 PolarHBondContact O-N 3.04Å; L56-R58 VanDerWaalsContact C-N 3.27Å; L56-R58 PolarHBondContact O-N 3.47Å; L56-I59 WeakPolarHBondContact O-CB 3.45Å; L56-I59 PolarHBondContact O-N 3.47Å; L56-A60 PolarHBondContact O-N 2.87Å; L56-I90 HydrophobicContact CD2-CG2 3.58Å; L56-L91 HydrophobicContact CD1-CB 4.23Å; L56-L91 HydrophobicContact CD1-CD1 3.63Å; L56-E94 HydrophobicContact CD2-CB 4.19Å; L56-E94 HydrophobicContact CD2-CG 3.67Å; L56-F115 HydrophobicContact CD1-CD1 4.14Å; L56-F115 HydrophobicContact CD1-CE1 3.6Å; L56-F115 HydrophobicContact CD1-CE2 4.47Å; L56-F115 HydrophobicContact CD1-CZ 3.79Å; L56-F115 HydrophobicContact CD2-CZ 4.13Å; L56-F115 HydrophobicContact CG-CE1 3.92Å; L56-F115 HydrophobicContact CG-CZ 3.73Å
57N95Very high95.8Very high37 Ų3732.5 Ų32.520%0.19818%0.183CC..Hα-helixtrans-59.1-40.1173.9-68.5-31000112.5S3 V6 Y53 I55 A60 S61S3-N57 VanDerWaalsContact CB-CG 3.43Å; S3-N57 WeakPolarHBondContact CB-ND2 3Å; S3-N57 WeakPolarHBondContact CB-OD1 3.27Å; S3-N57 PolarHBondContact OG-ND2 2.93Å; S3-N57 PolarHBondContact OG-OD1 3.05Å; V6-N57 WeakPolarHBondContact CG2-ND2 3.39Å; Y53-N57 PolarHBondContact O-N 3.1Å; Y53-N57 PolarHBondContact O-ND2 3.33Å; I55-N57 VanDerWaalsContact C-N 3.28Å; I55-N57 PolarHBondContact O-N 2.94Å; N57-A60 WeakPolarHBondContact O-CB 3.36Å; N57-A60 PolarHBondContact O-N 3.18Å; N57-S61 PolarHBondContact O-N 3.33Å; N57-S61 PolarHBondContact O-OG 3.02Å
58R96.1Very high95.8Very high29 Ų2932.1 Ų32.111%0.10918%0.182CC..Hα-helixtrans-69.6-39.7177.9-67.3-177.9175-82.98.7111.6C21 M24 N25 S54 I55 L56 A60 S61 E62 Y69C21-R58 PolarHBondContact O-NH2 2.92Å; M24-R58 VanDerWaalsContact CB-NE 3.34Å; N25-R58 VanDerWaalsContact OD1-CZ 3.3Å; N25-R58 PolarHBondContact OD1-NH1 3.01Å; N25-R58 PolarHBondContact OD1-NH2 3.36Å; S54-R58 WeakPolarHBondContact O-CG 3.33Å; S54-R58 PolarHBondContact O-N 3.32Å; I55-R58 WeakPolarHBondContact O-CA 3.49Å; I55-R58 WeakPolarHBondContact O-CB 3.42Å; I55-R58 PolarHBondContact O-N 3.44Å; L56-R58 VanDerWaalsContact C-N 3.27Å; L56-R58 PolarHBondContact O-N 3.47Å; R58-A60 PolarHBondContact O-N 3.4Å; R58-S61 PolarHBondContact O-N 3.02Å; R58-S61 PolarHBondContact O-OG 3.27Å; R58-E62 IonicContact NH1-OE1 2.76Å; R58-E62 PolarHBondContact NH1-OE1 2.92Å; R58-E62 WeakPolarHBondContact O-CB 3.43Å; R58-E62 PolarHBondContact O-N 3.37Å; R58-Y69 HydrophobicContact CB-CE1 4.44Å; R58-Y69 HydrophobicContact CB-CE2 3.82Å
59I97.2Very high95.9Very high0 Ų031.9 Ų31.90%018%0.18CC..Hα-helixtrans-56.6-38.1171.8-66163.7000110.4I55 L56 S61 H66 Y69 M87 F115 F118I55-I59 HydrophobicContact CG2-CD1 3.82Å; I55-I59 HydrophobicContact CG2-CG1 4.3Å; I55-I59 WeakPolarHBondContact O-CG1 3.47Å; I55-I59 PolarHBondContact O-N 2.85Å; L56-I59 WeakPolarHBondContact O-CB 3.45Å; L56-I59 PolarHBondContact O-N 3.47Å; I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 3.26Å; I59-H66 PolarHBondContact O-NE2 2.8Å; I59-Y69 HydrophobicContact CG1-CD2 3.89Å; I59-M87 HydrophobicContact CD1-CE 4.21Å; I59-F115 HydrophobicContact CB-CE1 4.43Å; I59-F115 HydrophobicContact CG2-CD1 3.94Å; I59-F115 HydrophobicContact CG2-CE1 4.14Å; I59-F118 HydrophobicContact CD1-CD1 3.65Å; I59-F118 HydrophobicContact CD1-CD2 3.97Å; I59-F118 HydrophobicContact CD1-CE1 3.41Å; I59-F118 VanDerWaalsContact CD1-CE1 3.41Å; I59-F118 HydrophobicContact CD1-CE2 3.75Å; I59-F118 HydrophobicContact CD1-CG 3.92Å; I59-F118 HydrophobicContact CD1-CZ 3.46Å; I59-F118 VanDerWaalsContact CD1-CZ 3.46Å; I59-F118 HydrophobicContact CG1-CD2 3.96Å; I59-F118 HydrophobicContact CG1-CE1 4.38Å; I59-F118 HydrophobicContact CG1-CE2 3.82Å; I59-F118 HydrophobicContact CG1-CG 4.3Å; I59-F118 HydrophobicContact CG1-CZ 4.04Å; I59-F118 HydrophobicContact CG2-CB 3.8Å; I59-F118 HydrophobicContact CG2-CD1 4.45Å; I59-F118 HydrophobicContact CG2-CD2 3.77Å; I59-F118 HydrophobicContact CG2-CE2 4.49Å; I59-F118 HydrophobicContact CG2-CG 3.74Å
60A96.7Very high96Very high20 Ų2028.5 Ų28.517%0.16516%0.163CC..Hα-helixtrans-68.1-20.1177.900000114.3L56 N57 R58 I111 Y114 F115L56-A60 PolarHBondContact O-N 2.87Å; N57-A60 WeakPolarHBondContact O-CB 3.36Å; N57-A60 PolarHBondContact O-N 3.18Å; R58-A60 PolarHBondContact O-N 3.4Å; A60-I111 HydrophobicContact CB-CG1 4.21Å; A60-I111 HydrophobicContact CB-CG2 3.96Å; A60-Y114 WeakPolarHBondContact O-CD2 3.48Å; A60-F115 HydrophobicContact CB-CE1 3.71Å; A60-F115 HydrophobicContact CB-CZ 3.86Å
61S95.4Very high96Very high72 Ų7231.9 Ų31.950%0.50318%0.178SC..Hα-helixtrans-118.3-25-174540000115.6N57 R58 I59 P63N57-S61 PolarHBondContact O-N 3.33Å; N57-S61 PolarHBondContact O-OG 3.02Å; R58-S61 PolarHBondContact O-N 3.02Å; R58-S61 PolarHBondContact O-OG 3.27Å; I59-S61 VanDerWaalsContact C-N 3.27Å; I59-S61 PolarHBondContact O-N 3.26Å; S61-P63 VanDerWaalsContact O-CD 3.24Å; S61-P63 WeakPolarHBondContact O-CD 3.48Å
62E96Very high96.1Very high56 Ų5631.9 Ų31.926%0.26218%0.178SC..  trans-12268.2-166.1-59.8177.4-126.300111.4R58 S64 Q65 H66 Y69R58-E62 IonicContact NH1-OE1 2.76Å; R58-E62 PolarHBondContact NH1-OE1 2.92Å; R58-E62 WeakPolarHBondContact O-CB 3.43Å; R58-E62 PolarHBondContact O-N 3.37Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3Å; E62-Q65 HydrophobicContact CB-CB 4.24Å; E62-Q65 HydrophobicContact CB-CG 4.22Å; E62-Q65 PolarHBondContact O-N 3.25Å; E62-H66 PolarHBondContact O-CD2 3.31Å; E62-H66 VanDerWaalsContact O-CD2 3.26Å; E62-Y69 HydrophobicContact CB-CE2 4.07Å; E62-Y69 WeakPolarHBondContact CB-OH 3.38Å; E62-Y69 PolarHBondContact OE1-OH 2.94Å; E62-Y69 PolarHBondContact OE2-OH 3.02Å
63P94.9Very high96.2Very high55 Ų5531.9 Ų31.936%0.35718%0.178SC..G310 helixtrans-60.4-32.9-175.328.1-39000114.1S61 Q65 H66 Y114S61-P63 VanDerWaalsContact O-CD 3.24Å; S61-P63 WeakPolarHBondContact O-CD 3.48Å; P63-Q65 PolarHBondContact O-N 3.35Å; P63-H66 WeakPolarHBondContact CA-NE2 3.48Å; P63-H66 WeakPolarHBondContact O-CB 3.45Å; P63-H66 PolarHBondContact O-N 3.48Å; P63-Y114 HydrophobicContact CB-CD1 4.29Å; P63-Y114 HydrophobicContact CB-CE1 3.84Å; P63-Y114 HydrophobicContact CB-CE2 4.08Å; P63-Y114 HydrophobicContact CG-CE1 4.28Å; P63-Y114 HydrophobicContact CG-CE2 3.98Å; P63-Y114 WeakPolarHBondContact CG-OH 3.44Å
64S95.4Very high96.1Very high97 Ų9733.3 Ų33.368%0.67819%0.189SC*.G310 helixtrans-64.9-23.2178.155.30000112.9E62E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3Å
65Q96.1Very high96.2Very high58 Ų5834.4 Ų34.427%0.27119%0.192SC..G310 helixtrans-95.8-0.1-176.8-58.9-59.784.300113.1L27 E62 P63 N67 V68 Y69L27-Q65 PolarHBondContact O-NE2 3.41Å; E62-Q65 HydrophobicContact CB-CB 4.24Å; E62-Q65 HydrophobicContact CB-CG 4.22Å; E62-Q65 PolarHBondContact O-N 3.25Å; P63-Q65 PolarHBondContact O-N 3.35Å; Q65-N67 VanDerWaalsContact C-N 3.27Å; Q65-N67 PolarHBondContact O-N 3.26Å; Q65-V68 WeakPolarHBondContact O-CA 2.78Å; Q65-V68 WeakPolarHBondContact O-CB 3.22Å; Q65-V68 PolarHBondContact O-N 3.37Å; Q65-Y69 HydrophobicContact CB-CD2 4.19Å; Q65-Y69 HydrophobicContact CB-CE1 4.05Å; Q65-Y69 HydrophobicContact CB-CE2 3.54Å; Q65-Y69 VanDerWaalsContact CB-CZ 3.45Å; Q65-Y69 WeakPolarHBondContact O-CD2 3.35Å; Q65-Y69 PolarHBondContact O-N 2.79Å
66H96.4Very high96.3Very high21 Ų2134.4 Ų34.410%0.09719%0.192CC..Hα-helixtrans-56.7-37.7-176.4-75.4-171.9000113.6I59 E62 P63 V68 Y69 Y70 F118I59-H66 PolarHBondContact O-NE2 2.8Å; E62-H66 PolarHBondContact O-CD2 3.31Å; E62-H66 VanDerWaalsContact O-CD2 3.26Å; P63-H66 WeakPolarHBondContact CA-NE2 3.48Å; P63-H66 WeakPolarHBondContact O-CB 3.45Å; P63-H66 PolarHBondContact O-N 3.48Å; H66-V68 VanDerWaalsContact C-N 3.33Å; H66-V68 PolarHBondContact O-N 3.06Å; H66-Y69 PolarHBondContact O-N 3.46Å; H66-Y70 WeakPolarHBondContact O-CB 3.45Å; H66-Y70 PolarHBondContact O-N 3.38Å; H66-F118 HydrophobicContact CB-CD2 4.07Å; H66-F118 HydrophobicContact CB-CE2 4.2Å; H66-F118 AromaticContact CG-CD2 3.95Å; H66-F118 WeakPolarHBondContact O-CE2 3.47Å
67N94.8Very high96.2Very high75 Ų7535.7 Ų35.740%0.40120%0.201SC..Hα-helixtrans-60.6-43.2174.5-74.8-26.8000111.7Q65 K71 R121Q65-N67 VanDerWaalsContact C-N 3.27Å; Q65-N67 PolarHBondContact O-N 3.26Å; N67-K71 WeakPolarHBondContact O-CG 3.46Å; N67-K71 PolarHBondContact O-N 2.96Å; N67-K71 VanDerWaalsContact O-N 3.16Å; N67-R121 PolarHBondContact OD1-NH1 3.25Å; N67-R121 PolarHBondContact OD1-NH2 3.06Å
68V96.8Very high96.3Very high9 Ų940.9 Ų40.96%0.05522%0.224CC..Hα-helixtrans-67.2-44.5179.5-176.20000110.1L27 E29 L32 Q65 H66 Y70 K71 F72L27-V68 HydrophobicContact CB-CG1 4.44Å; L27-V68 HydrophobicContact CD2-CG1 3.76Å; L27-V68 HydrophobicContact CG-CG1 3.71Å; E29-V68 HydrophobicContact CG-CG2 3.92Å; L32-V68 HydrophobicContact CD1-CG1 4.16Å; Q65-V68 WeakPolarHBondContact O-CA 2.78Å; Q65-V68 WeakPolarHBondContact O-CB 3.22Å; Q65-V68 PolarHBondContact O-N 3.37Å; H66-V68 VanDerWaalsContact C-N 3.33Å; H66-V68 PolarHBondContact O-N 3.06Å; V68-Y70 PolarHBondContact O-N 3.41Å; V68-K71 PolarHBondContact O-N 3.45Å; V68-F72 WeakPolarHBondContact O-CB 3.5Å; V68-F72 PolarHBondContact O-N 2.98Å
69Y97.5Very high96.3Very high1 Ų143.2 Ų43.20%0.00424%0.236CC..Hα-helixtrans-65.4-37.2178.3-58.8-34.4000113.2M24 L27 R58 I59 E62 Q65 H66 F72 I73M24-Y69 HydrophobicContact CE-CD1 4.06Å; M24-Y69 HydrophobicContact CE-CE1 3.99Å; L27-Y69 HydrophobicContact CD2-CD1 4.23Å; L27-Y69 HydrophobicContact CD2-CE1 4.43Å; R58-Y69 HydrophobicContact CB-CE1 4.44Å; R58-Y69 HydrophobicContact CB-CE2 3.82Å; I59-Y69 HydrophobicContact CG1-CD2 3.89Å; E62-Y69 HydrophobicContact CB-CE2 4.07Å; E62-Y69 WeakPolarHBondContact CB-OH 3.38Å; E62-Y69 PolarHBondContact OE1-OH 2.94Å; E62-Y69 PolarHBondContact OE2-OH 3.02Å; Q65-Y69 HydrophobicContact CB-CD2 4.19Å; Q65-Y69 HydrophobicContact CB-CE1 4.05Å; Q65-Y69 HydrophobicContact CB-CE2 3.54Å; Q65-Y69 VanDerWaalsContact CB-CZ 3.45Å; Q65-Y69 WeakPolarHBondContact O-CD2 3.35Å; Q65-Y69 PolarHBondContact O-N 2.79Å; H66-Y69 PolarHBondContact O-N 3.46Å; Y69-F72 WeakPolarHBondContact O-CB 3.46Å; Y69-F72 PolarHBondContact O-N 2.95Å; Y69-I73 WeakPolarHBondContact O-CD1 3.42Å; Y69-I73 VanDerWaalsContact O-CG1 3.22Å; Y69-I73 WeakPolarHBondContact O-CG1 3.47Å; Y69-I73 PolarHBondContact O-N 2.91Å
70Y96Very high96.2Very high21 Ų2143.9 Ų43.98%0.08224%0.239CC..Hα-helixtrans-60.8-52.3173.8171.5-96.9000110.9H66 V68 F72 I73 T74 R121 L122 Y126H66-Y70 WeakPolarHBondContact O-CB 3.45Å; H66-Y70 PolarHBondContact O-N 3.38Å; V68-Y70 PolarHBondContact O-N 3.41Å; Y70-F72 VanDerWaalsContact C-N 3.26Å; Y70-F72 PolarHBondContact O-N 3.38Å; Y70-I73 PolarHBondContact O-N 2.87Å; Y70-I73 VanDerWaalsContact O-N 3.11Å; Y70-T74 PolarHBondContact O-N 3.3Å; Y70-T74 PolarHBondContact O-OG1 2.95Å; Y70-R121 VanDerWaalsContact CB-CD 3.46Å; Y70-R121 HydrophobicContact CD1-CG 4.43Å; Y70-R121 HydrophobicContact CD2-CG 3.69Å; Y70-R121 HydrophobicContact CE2-CG 4.24Å; Y70-R121 HydrophobicContact CG-CG 3.82Å; Y70-L122 HydrophobicContact CD2-CD2 3.81Å; Y70-L122 HydrophobicContact CE2-CD2 3.92Å; Y70-Y126 AromaticContact CE1-CE2 3.93Å; Y70-Y126 HydrophobicContact CE1-CE2 3.93Å; Y70-Y126 AromaticContact CE1-CZ 3.86Å; Y70-Y126 WeakPolarHBondContact CE1-OH 3.46Å; Y70-Y126 HydrophobicContact CE2-CD2 4.47Å; Y70-Y126 AromaticContact CE2-CE2 3.86Å; Y70-Y126 HydrophobicContact CE2-CE2 3.86Å; Y70-Y126 AromaticContact CZ-CE2 3.29Å; Y70-Y126 AromaticContact CZ-CZ 3.54Å; Y70-Y126 WeakPolarHBondContact OH-CE2 3.33Å; Y70-Y126 PolarHBondContact OH-OH 3.3Å
71K96Very high96.1Very high82 Ų8247.3 Ų47.336%0.35726%0.258SS..Hα-helixtrans-58.6-39.7177.2-67.6173.8174.7172.90111.5E29 L32 N67 V68 T74 M75E29-K71 IonicContact OE1-NZ 2.73Å; E29-K71 PolarHBondContact OE1-NZ 3.39Å; E29-K71 IonicContact OE2-NZ 2.68Å; E29-K71 PolarHBondContact OE2-NZ 2.98Å; L32-K71 HydrophobicContact CD2-CB 3.4Å; L32-K71 HydrophobicContact CD2-CD 4.36Å; N67-K71 WeakPolarHBondContact O-CG 3.46Å; N67-K71 PolarHBondContact O-N 2.96Å; N67-K71 VanDerWaalsContact O-N 3.16Å; V68-K71 PolarHBondContact O-N 3.45Å; K71-T74 PolarHBondContact O-N 2.84Å; K71-M75 WeakPolarHBondContact O-CB 3.42Å; K71-M75 VanDerWaalsContact O-CG 3.28Å; K71-M75 WeakPolarHBondContact O-CG 3.49Å; K71-M75 PolarHBondContact O-N 3.2Å
72F97.7Very high95.9Very high0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-57.6-50.2174-179-89.5000112M24 L27 L32 V36 I39 L51 I55 V68 Y69 Y70 T74 M75 I76M24-F72 HydrophobicContact SD-CE1 4.33Å; M24-F72 HydrophobicContact SD-CE2 4.09Å; M24-F72 HydrophobicContact SD-CZ 3.97Å; L27-F72 HydrophobicContact CD1-CD2 4.14Å; L27-F72 HydrophobicContact CD2-CB 4.12Å; L27-F72 HydrophobicContact CD2-CD2 3.74Å; L27-F72 HydrophobicContact CD2-CE2 4.48Å; L27-F72 HydrophobicContact CD2-CG 4.08Å; L32-F72 HydrophobicContact CD1-CB 3.84Å; L32-F72 HydrophobicContact CD1-CD2 3.96Å; L32-F72 HydrophobicContact CD1-CG 4.42Å; V36-F72 HydrophobicContact CG2-CD2 3.62Å; V36-F72 HydrophobicContact CG2-CE2 3.67Å; V36-F72 HydrophobicContact CG2-CG 4.46Å; I39-F72 HydrophobicContact CD1-CE2 3.83Å; I39-F72 HydrophobicContact CD1-CZ 3.61Å; L51-F72 HydrophobicContact CD2-CE1 4.41Å; I55-F72 HydrophobicContact CD1-CD1 3.86Å; I55-F72 HydrophobicContact CD1-CE1 3.61Å; I55-F72 HydrophobicContact CG1-CE1 4.42Å; V68-F72 WeakPolarHBondContact O-CB 3.5Å; V68-F72 PolarHBondContact O-N 2.98Å; Y69-F72 WeakPolarHBondContact O-CB 3.46Å; Y69-F72 PolarHBondContact O-N 2.95Å; Y70-F72 VanDerWaalsContact C-N 3.26Å; Y70-F72 PolarHBondContact O-N 3.38Å; F72-T74 VanDerWaalsContact C-N 3.33Å; F72-T74 PolarHBondContact O-N 3.16Å; F72-M75 PolarHBondContact O-N 3.32Å; F72-I76 HydrophobicContact CD1-CG2 4.31Å; F72-I76 HydrophobicContact CE1-CB 4.31Å; F72-I76 HydrophobicContact CE1-CD1 3.82Å; F72-I76 HydrophobicContact CE1-CG2 4.05Å; F72-I76 HydrophobicContact CZ-CD1 3.63Å; F72-I76 WeakPolarHBondContact O-CB 3.23Å; F72-I76 WeakPolarHBondContact O-CG2 3.31Å; F72-I76 PolarHBondContact O-N 3.11Å
73I97.4Very high96Very high0 Ų046.4 Ų46.40%025%0.249CC..Hα-helixtrans-60.2-44.3179-69.5162.5000110.4I55 Y69 Y70 S77 F83 E84 M87 F118I55-I73 HydrophobicContact CD1-CG1 4.37Å; I55-I73 HydrophobicContact CG2-CD1 4.09Å; I55-I73 HydrophobicContact CG2-CG1 4.34Å; Y69-I73 WeakPolarHBondContact O-CD1 3.42Å; Y69-I73 VanDerWaalsContact O-CG1 3.22Å; Y69-I73 WeakPolarHBondContact O-CG1 3.47Å; Y69-I73 PolarHBondContact O-N 2.91Å; Y70-I73 PolarHBondContact O-N 2.87Å; Y70-I73 VanDerWaalsContact O-N 3.11Å; I73-S77 VanDerWaalsContact O-CB 3.3Å; I73-S77 WeakPolarHBondContact O-CB 3.33Å; I73-S77 PolarHBondContact O-N 3.47Å; I73-S77 PolarHBondContact O-OG 3.16Å; I73-F83 HydrophobicContact CG1-CE1 4.33Å; I73-F83 HydrophobicContact CG2-CD1 4.26Å; I73-F83 HydrophobicContact CG2-CE1 4.43Å; I73-E84 HydrophobicContact CG2-CB 4.47Å; I73-E84 HydrophobicContact CG2-CG 4.49Å; I73-M87 HydrophobicContact CD1-CE 3.83Å; I73-M87 HydrophobicContact CD1-CG 4.2Å; I73-M87 HydrophobicContact CG1-CG 4.26Å; I73-M87 HydrophobicContact CG2-CB 4.48Å; I73-M87 HydrophobicContact CG2-CG 4.06Å; I73-F118 HydrophobicContact CD1-CE1 3.61Å; I73-F118 HydrophobicContact CD1-CZ 3.63Å
74T95.1Very high96Very high47 Ų4746.7 Ų46.729%0.28825%0.246SC..Hα-helixtrans-59.8-49.4177.3-54.60000111.1Y70 K71 F72 S77Y70-T74 PolarHBondContact O-N 3.3Å; Y70-T74 PolarHBondContact O-OG1 2.95Å; K71-T74 PolarHBondContact O-N 2.84Å; F72-T74 VanDerWaalsContact C-N 3.33Å; F72-T74 PolarHBondContact O-N 3.16Å; T74-S77 PolarHBondContact O-N 2.95Å
75M96.8Very high95.9Very high43 Ų4345.6 Ų45.621%0.21224%0.235CC..Hα-helixtrans-67.5-43-177.7-69.8176.969.100112.7L32 K33 V36 K71 F72 S77 E78L32-M75 HydrophobicContact CB-SD 4.39Å; L32-M75 HydrophobicContact CD2-SD 3.4Å; L32-M75 WeakPolarHBondContact CD2-SD 3.37Å; L32-M75 HydrophobicContact CG-CE 4.5Å; L32-M75 HydrophobicContact CG-SD 3.62Å; K33-M75 VanDerWaalsContact CA-CE 3.5Å; K33-M75 HydrophobicContact CB-CE 3.68Å; K33-M75 HydrophobicContact CD-CE 3.46Å; K33-M75 VanDerWaalsContact CD-CE 3.46Å; K33-M75 HydrophobicContact CG-CE 4.12Å; V36-M75 HydrophobicContact CG1-CB 4.44Å; V36-M75 HydrophobicContact CG2-CB 4.08Å; K71-M75 WeakPolarHBondContact O-CB 3.42Å; K71-M75 VanDerWaalsContact O-CG 3.28Å; K71-M75 WeakPolarHBondContact O-CG 3.49Å; K71-M75 PolarHBondContact O-N 3.2Å; F72-M75 PolarHBondContact O-N 3.32Å; M75-S77 PolarHBondContact O-N 3.33Å; M75-E78 WeakPolarHBondContact O-CB 3.28Å; M75-E78 PolarHBondContact O-N 2.92Å
76I97.1Very high95.9Very high0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-71.2-22.8-179.6-155.2169.5000112.3V36 I39 T40 L51 F72 E78 H79 Y80 F83V36-I76 HydrophobicContact CG1-CB 4.13Å; V36-I76 HydrophobicContact CG1-CG1 4.18Å; I39-I76 HydrophobicContact CG2-CD1 3.89Å; T40-I76 HydrophobicContact CG2-CD1 4.32Å; T40-I76 HydrophobicContact CG2-CG1 3.87Å; L51-I76 HydrophobicContact CD2-CD1 3.54Å; F72-I76 HydrophobicContact CD1-CG2 4.31Å; F72-I76 HydrophobicContact CE1-CB 4.31Å; F72-I76 HydrophobicContact CE1-CD1 3.82Å; F72-I76 HydrophobicContact CE1-CG2 4.05Å; F72-I76 HydrophobicContact CZ-CD1 3.63Å; F72-I76 WeakPolarHBondContact O-CB 3.23Å; F72-I76 WeakPolarHBondContact O-CG2 3.31Å; F72-I76 PolarHBondContact O-N 3.11Å; I76-E78 PolarHBondContact O-N 3.2Å; I76-H79 PolarHBondContact O-N 2.71Å; I76-Y80 HydrophobicContact CD1-CD2 3.96Å; I76-Y80 HydrophobicContact CD1-CE2 3.7Å; I76-Y80 HydrophobicContact CG1-CD2 3.69Å; I76-Y80 HydrophobicContact CG1-CE2 3.81Å; I76-Y80 PolarHBondContact O-N 2.88Å; I76-F83 HydrophobicContact CG2-CD1 3.56Å; I76-F83 HydrophobicContact CG2-CE1 3.61Å; I76-F83 HydrophobicContact CG2-CG 4.26Å; I76-F83 HydrophobicContact CG2-CZ 4.33Å
77S96.3Very high95.9Very high27 Ų2743.9 Ų43.919%0.18923%0.228CC..THydrogen-bonded Turntrans-67.9-17174.1-61.80000113.1I73 T74 M75 H79 E84I73-S77 VanDerWaalsContact O-CB 3.3Å; I73-S77 WeakPolarHBondContact O-CB 3.33Å; I73-S77 PolarHBondContact O-N 3.47Å; I73-S77 PolarHBondContact O-OG 3.16Å; T74-S77 PolarHBondContact O-N 2.95Å; M75-S77 PolarHBondContact O-N 3.33Å; S77-H79 PolarHBondContact O-N 3.44Å; S77-E84 PolarHBondContact OG-N 3.16Å
78E95.9Very high96Very high145 Ų14542.4 Ų42.468%0.67822%0.22SC*.THydrogen-bonded Turntrans-67.8-26.7169.2-59.7178.5173.400111.9M75 I76M75-E78 WeakPolarHBondContact O-CB 3.28Å; M75-E78 PolarHBondContact O-N 2.92Å; I76-E78 PolarHBondContact O-N 3.2Å
79H96.6Very high95.9Very high79 Ų7947 Ų4737%0.36624%0.24SC..THydrogen-bonded Turntrans-99.6-36.4-178.8-62.6-95.4000112.5D37 T40 I76 S77D37-H79 IonicContact OD1-CE1 2.61Å; D37-H79 IonicContact OD1-NE2 3.34Å; T40-H79 HydrophobicContact CG2-CB 3.58Å; I76-H79 PolarHBondContact O-N 2.71Å; S77-H79 PolarHBondContact O-N 3.44Å
80Y96.2Very high95.8Very high13 Ų1347.2 Ų47.25%0.05124%0.242CC..SBendtrans-110.999.5178.8-59.7-40000110.4T40 M43 Y45 T48 I76 N82 F83T40-Y80 WeakPolarHBondContact CA-OH 3.39Å; T40-Y80 HydrophobicContact CG2-CE2 4.13Å; M43-Y80 HydrophobicContact CE-CD2 4.36Å; M43-Y80 HydrophobicContact CE-CE2 3.37Å; M43-Y80 WeakPolarHBondContact CE-OH 3.38Å; M43-Y80 PolarHBondContact O-OH 3.1Å; Y45-Y80 AromaticContact CD2-CD1 3.72Å; Y45-Y80 HydrophobicContact CD2-CD1 3.72Å; Y45-Y80 HydrophobicContact CD2-CE1 4.46Å; Y45-Y80 HydrophobicContact CD2-CG 4.39Å; Y45-Y80 HydrophobicContact CE2-CD1 4.32Å; T48-Y80 HydrophobicContact CG2-CD1 3.91Å; T48-Y80 HydrophobicContact CG2-CD2 3.6Å; T48-Y80 HydrophobicContact CG2-CE1 4.24Å; T48-Y80 HydrophobicContact CG2-CE2 3.98Å; T48-Y80 HydrophobicContact CG2-CG 3.56Å; I76-Y80 HydrophobicContact CD1-CD2 3.96Å; I76-Y80 HydrophobicContact CD1-CE2 3.7Å; I76-Y80 HydrophobicContact CG1-CD2 3.69Å; I76-Y80 HydrophobicContact CG1-CE2 3.81Å; I76-Y80 PolarHBondContact O-N 2.88Å; Y80-N82 PolarHBondContact O-N 3.38Å; Y80-F83 HydrophobicContact CD2-CD2 4.38Å; Y80-F83 WeakPolarHBondContact O-CB 3.35Å; Y80-F83 PolarHBondContact O-N 3.28Å; Y80-F83 VanDerWaalsContact O-N 3.11Å
81T93Very high95.8Very high93 Ų9346.2 Ų46.257%0.57124%0.238SC*.THydrogen-bonded Turntrans-53.3135.5177.2-44.30000110.8Y45 F83Y45-T81 PolarHBondContact OH-O 2.81Å; T81-F83 VanDerWaalsContact C-N 3.25Å; T81-F83 PolarHBondContact O-N 3.35Å
82N92.7Very high95.8Very high108 Ų10844.2 Ų44.258%0.57823%0.233SC*.THydrogen-bonded Turntrans67.310.5-178.7-51-38.3000115.9Y80 E84 T85 M86Y80-N82 PolarHBondContact O-N 3.38Å; N82-E84 PolarHBondContact O-N 3.27Å; N82-T85 PolarHBondContact O-N 3.45Å; N82-M86 WeakPolarHBondContact O-CB 3.45Å; N82-M86 PolarHBondContact O-N 3.03Å
83F96.7Very high95.7Very high1 Ų150.2 Ų50.20%0.00426%0.258CS..Hα-helixtrans-62.1-41.7179.9-170.8-94.7000112.7T48 L51 A52 I55 I73 I76 Y80 T81 T85 M86 M87T48-F83 HydrophobicContact CG2-CD2 4.29Å; T48-F83 WeakPolarHBondContact O-CE2 3.45Å; L51-F83 HydrophobicContact CB-CE2 4.37Å; L51-F83 HydrophobicContact CB-CZ 4.49Å; L51-F83 HydrophobicContact CD2-CE2 4.15Å; L51-F83 HydrophobicContact CD2-CZ 3.99Å; L51-F83 HydrophobicContact CG-CE2 4.33Å; L51-F83 HydrophobicContact CG-CZ 4.04Å; A52-F83 HydrophobicContact CB-CE2 4.2Å; A52-F83 HydrophobicContact CB-CZ 4.22Å; I55-F83 HydrophobicContact CD1-CE1 3.98Å; I55-F83 HydrophobicContact CD1-CZ 3.77Å; I73-F83 HydrophobicContact CG1-CE1 4.33Å; I73-F83 HydrophobicContact CG2-CD1 4.26Å; I73-F83 HydrophobicContact CG2-CE1 4.43Å; I76-F83 HydrophobicContact CG2-CD1 3.56Å; I76-F83 HydrophobicContact CG2-CE1 3.61Å; I76-F83 HydrophobicContact CG2-CG 4.26Å; I76-F83 HydrophobicContact CG2-CZ 4.33Å; Y80-F83 HydrophobicContact CD2-CD2 4.38Å; Y80-F83 WeakPolarHBondContact O-CB 3.35Å; Y80-F83 PolarHBondContact O-N 3.28Å; Y80-F83 VanDerWaalsContact O-N 3.11Å; T81-F83 VanDerWaalsContact C-N 3.25Å; T81-F83 PolarHBondContact O-N 3.35Å; F83-T85 PolarHBondContact O-N 3.09Å; F83-M86 WeakPolarHBondContact O-CB 3.49Å; F83-M86 PolarHBondContact O-N 3.39Å; F83-M87 HydrophobicContact CD1-CG 4.01Å; F83-M87 HydrophobicContact CE1-CG 3.7Å; F83-M87 HydrophobicContact CE1-SD 4.12Å; F83-M87 HydrophobicContact CZ-CG 4.28Å; F83-M87 HydrophobicContact CZ-SD 4.21Å; F83-M87 WeakPolarHBondContact O-CG 3.49Å; F83-M87 PolarHBondContact O-N 3.38Å
84E95Very high95.6Very high61 Ų6150.9 Ų50.929%0.28526%0.262SS..Hα-helixtrans-61.3-42.9174.6-172.4172.517900112.5I73 S77 N82 M86 M87 L88I73-E84 HydrophobicContact CG2-CB 4.47Å; I73-E84 HydrophobicContact CG2-CG 4.49Å; S77-E84 PolarHBondContact OG-N 3.16Å; N82-E84 PolarHBondContact O-N 3.27Å; E84-M86 PolarHBondContact O-N 3.14Å; E84-M87 WeakPolarHBondContact O-CB 3.46Å; E84-M87 PolarHBondContact O-N 3.47Å; E84-L88 PolarHBondContact O-N 2.87Å
85T94.7Very high95.7Very high73 Ų7348.8 Ų48.845%0.44825%0.249SC..Hα-helixtrans-61.4-44.2174.6-51.30000111.2N82 F83 M87 L88 E89N82-T85 PolarHBondContact O-N 3.45Å; F83-T85 PolarHBondContact O-N 3.09Å; T85-M87 PolarHBondContact O-N 3.28Å; T85-L88 PolarHBondContact O-N 3.23Å; T85-E89 WeakPolarHBondContact O-CG 3.47Å; T85-E89 PolarHBondContact O-N 2.64Å
86M95.5Very high95.7Very high42 Ų4249.5 Ų49.521%0.20725%0.253CS..Hα-helixtrans-61.1-43.3175.8-175-171.7-56.700111.8Q49 A52 N82 F83 E84 L88 E89 I90Q49-M86 HydrophobicContact CB-SD 4Å; Q49-M86 HydrophobicContact CG-SD 4.25Å; A52-M86 HydrophobicContact CB-SD 4.14Å; N82-M86 WeakPolarHBondContact O-CB 3.45Å; N82-M86 PolarHBondContact O-N 3.03Å; F83-M86 WeakPolarHBondContact O-CB 3.49Å; F83-M86 PolarHBondContact O-N 3.39Å; E84-M86 PolarHBondContact O-N 3.14Å; M86-L88 VanDerWaalsContact C-N 3.33Å; M86-L88 PolarHBondContact O-N 2.87Å; M86-E89 PolarHBondContact O-N 3.11Å; M86-I90 HydrophobicContact CG-CD1 3.86Å; M86-I90 WeakPolarHBondContact O-CB 3.43Å; M86-I90 WeakPolarHBondContact O-CG1 3.42Å; M86-I90 PolarHBondContact O-N 3.43Å; M86-I90 HydrophobicContact SD-CD1 4.5Å
87M96.4Very high95.6Very high1 Ų155.6 Ų55.61%0.00528%0.277CS..Hα-helixtrans-58.9-45.3174.7-77.6-59.2-53.800111.3A52 I55 I59 I73 F83 E84 T85 I90 L91A52-M87 WeakPolarHBondContact CA-SD 3.39Å; A52-M87 HydrophobicContact CB-SD 3.45Å; A52-M87 WeakPolarHBondContact CB-SD 3.3Å; I55-M87 HydrophobicContact CB-CE 4.27Å; I55-M87 HydrophobicContact CG2-CE 3.98Å; I59-M87 HydrophobicContact CD1-CE 4.21Å; I73-M87 HydrophobicContact CD1-CE 3.83Å; I73-M87 HydrophobicContact CD1-CG 4.2Å; I73-M87 HydrophobicContact CG1-CG 4.26Å; I73-M87 HydrophobicContact CG2-CB 4.48Å; I73-M87 HydrophobicContact CG2-CG 4.06Å; F83-M87 HydrophobicContact CD1-CG 4.01Å; F83-M87 HydrophobicContact CE1-CG 3.7Å; F83-M87 HydrophobicContact CE1-SD 4.12Å; F83-M87 HydrophobicContact CZ-CG 4.28Å; F83-M87 HydrophobicContact CZ-SD 4.21Å; F83-M87 WeakPolarHBondContact O-CG 3.49Å; F83-M87 PolarHBondContact O-N 3.38Å; E84-M87 WeakPolarHBondContact O-CB 3.46Å; E84-M87 PolarHBondContact O-N 3.47Å; T85-M87 PolarHBondContact O-N 3.28Å; M87-I90 PolarHBondContact O-N 3.33Å; M87-L91 WeakPolarHBondContact O-CB 3.46Å; M87-L91 PolarHBondContact O-N 3.45Å
88L95.8Very high95.7Very high45 Ų4554.9 Ų54.924%0.23627%0.271CS..Hα-helixtrans-63.5-43.7178.5-176.861.7000112.1E84 T85 M86 T92 L119 T123E84-L88 PolarHBondContact O-N 2.87Å; T85-L88 PolarHBondContact O-N 3.23Å; M86-L88 VanDerWaalsContact C-N 3.33Å; M86-L88 PolarHBondContact O-N 2.87Å; L88-T92 VanDerWaalsContact O-CB 3.3Å; L88-T92 WeakPolarHBondContact O-CB 3.41Å; L88-T92 PolarHBondContact O-N 3Å; L88-T92 PolarHBondContact O-OG1 3.48Å; L88-L119 HydrophobicContact CD1-CD1 3.39Å; L88-T123 HydrophobicContact CD1-CG2 3.6Å; L88-T123 HydrophobicContact CD2-CG2 4.27Å
89E95.1Very high95.7Very high104 Ų10449.2 Ų49.249%0.48625%0.245SC..Hα-helixtrans-63.5-46177.4-74.3179.2-17000112.4T85 M86 T92 K93T85-E89 WeakPolarHBondContact O-CG 3.47Å; T85-E89 PolarHBondContact O-N 2.64Å; M86-E89 PolarHBondContact O-N 3.11Å; E89-T92 PolarHBondContact O-N 3.39Å; E89-K93 WeakPolarHBondContact O-CB 3.2Å; E89-K93 VanDerWaalsContact O-CG 3.29Å; E89-K93 WeakPolarHBondContact O-CG 3.23Å; E89-K93 PolarHBondContact O-N 3.02Å
90I95.6Very high95.6Very high6 Ų652.8 Ų52.83%0.03126%0.26CS..Hα-helixtrans-64.5-47.2178.9-71.7170.3000110.1Q49 A52 Y53 L56 M86 M87 T92 K93 E94Q49-I90 HydrophobicContact CG-CD1 4.3Å; A52-I90 HydrophobicContact CB-CD1 3.71Å; Y53-I90 HydrophobicContact CD1-CG2 3.74Å; Y53-I90 HydrophobicContact CD2-CD1 4.11Å; Y53-I90 HydrophobicContact CE1-CG2 3.45Å; Y53-I90 VanDerWaalsContact CE1-CG2 3.45Å; Y53-I90 HydrophobicContact CE2-CD1 3.87Å; Y53-I90 HydrophobicContact CE2-CG1 4.33Å; Y53-I90 HydrophobicContact CG-CG2 4.46Å; L56-I90 HydrophobicContact CD2-CG2 3.58Å; M86-I90 HydrophobicContact CG-CD1 3.86Å; M86-I90 WeakPolarHBondContact O-CB 3.43Å; M86-I90 WeakPolarHBondContact O-CG1 3.42Å; M86-I90 PolarHBondContact O-N 3.43Å; M86-I90 HydrophobicContact SD-CD1 4.5Å; M87-I90 PolarHBondContact O-N 3.33Å; I90-T92 VanDerWaalsContact C-N 3.34Å; I90-T92 PolarHBondContact O-N 3.49Å; I90-K93 PolarHBondContact O-N 3.3Å; I90-E94 WeakPolarHBondContact O-CG 3.3Å; I90-E94 PolarHBondContact O-N 3.1Å
91L97Very high95.5Very high1 Ų153.5 Ų53.51%0.00526%0.264CS..Hα-helixtrans-58.9-45.8177.8176.761.2000111.6L56 M87 K93 E94 I95 F115 F118 L119 L122L56-L91 HydrophobicContact CD1-CB 4.23Å; L56-L91 HydrophobicContact CD1-CD1 3.63Å; M87-L91 WeakPolarHBondContact O-CB 3.46Å; M87-L91 PolarHBondContact O-N 3.45Å; L91-K93 PolarHBondContact O-N 3.14Å; L91-E94 PolarHBondContact O-N 3.01Å; L91-I95 HydrophobicContact CD1-CD1 3.97Å; L91-I95 HydrophobicContact CD1-CG1 4.33Å; L91-I95 HydrophobicContact CG-CD1 3.93Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.4Å; L91-F115 HydrophobicContact CD1-CB 3.64Å; L91-F115 HydrophobicContact CD1-CD1 3.86Å; L91-F115 HydrophobicContact CD1-CD2 4.18Å; L91-F115 HydrophobicContact CD1-CG 3.64Å; L91-F118 HydrophobicContact CD2-CB 4.49Å; L91-F118 HydrophobicContact CD2-CD1 4.16Å; L91-L119 HydrophobicContact CD2-CB 3.82Å; L91-L119 HydrophobicContact CD2-CD1 4.15Å; L91-L119 HydrophobicContact CG-CB 4.45Å; L91-L122 HydrophobicContact CD2-CD1 3.9Å
92T96.2Very high95.5Very high40 Ų4053.5 Ų53.525%0.24527%0.266CS..Hα-helixtrans-63.5-42.8179.8-56.60000111.1L88 E89 I90 E94 I95 D96L88-T92 VanDerWaalsContact O-CB 3.3Å; L88-T92 WeakPolarHBondContact O-CB 3.41Å; L88-T92 PolarHBondContact O-N 3Å; L88-T92 PolarHBondContact O-OG1 3.48Å; E89-T92 PolarHBondContact O-N 3.39Å; I90-T92 VanDerWaalsContact C-N 3.34Å; I90-T92 PolarHBondContact O-N 3.49Å; T92-E94 VanDerWaalsContact C-N 3.32Å; T92-E94 PolarHBondContact O-N 3.33Å; T92-I95 PolarHBondContact O-N 3.27Å; T92-D96 WeakPolarHBondContact O-CB 3.46Å; T92-D96 PolarHBondContact O-N 3.05Å
93K95.2Very high95.6Very high125 Ų12553.4 Ų53.454%0.54327%0.265SS..Hα-helixtrans-60.1-40.1175.6-76.9170.2-179.1166.10112.6E89 I90 L91 Y97E89-K93 WeakPolarHBondContact O-CB 3.2Å; E89-K93 VanDerWaalsContact O-CG 3.29Å; E89-K93 WeakPolarHBondContact O-CG 3.23Å; E89-K93 PolarHBondContact O-N 3.02Å; I90-K93 PolarHBondContact O-N 3.3Å; L91-K93 PolarHBondContact O-N 3.14Å; K93-Y97 WeakPolarHBondContact O-CB 2.9Å; K93-Y97 PolarHBondContact O-N 3.34Å
94E95.6Very high95.5Very high14 Ų1454.1 Ų54.17%0.06527%0.269CS..Hα-helixtrans-73.8-36.2179.3-68.7-58.8142.500112.5L5 R8 L56 I90 L91 T92 Y97 L98 F115L5-E94 HydrophobicContact CD1-CG 4.27Å; L5-E94 HydrophobicContact CD2-CG 4.33Å; L5-E94 WeakPolarHBondContact CD2-OE1 3.36Å; L5-E94 VanDerWaalsContact CD2-OE2 3.23Å; L5-E94 WeakPolarHBondContact CD2-OE2 3.5Å; R8-E94 IonicContact NH1-OE1 3.91Å; R8-E94 PolarHBondContact NH1-OE1 3.42Å; L56-E94 HydrophobicContact CD2-CB 4.19Å; L56-E94 HydrophobicContact CD2-CG 3.67Å; I90-E94 WeakPolarHBondContact O-CG 3.3Å; I90-E94 PolarHBondContact O-N 3.1Å; L91-E94 PolarHBondContact O-N 3.01Å; T92-E94 VanDerWaalsContact C-N 3.32Å; T92-E94 PolarHBondContact O-N 3.33Å; E94-Y97 PolarHBondContact O-N 2.94Å; E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 2.92Å; E94-F115 HydrophobicContact CB-CD2 4.36Å; E94-F115 HydrophobicContact CB-CE2 3.92Å
95I97.4Very high95.6Very high3 Ų355.2 Ų55.22%0.01528%0.277CS..Hα-helixtrans-61-49.8169.6-71167.3000110.1L91 T92 Y97 L98 L99 L112 F115 L119 F155L91-I95 HydrophobicContact CD1-CD1 3.97Å; L91-I95 HydrophobicContact CD1-CG1 4.33Å; L91-I95 HydrophobicContact CG-CD1 3.93Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.4Å; T92-I95 PolarHBondContact O-N 3.27Å; I95-Y97 VanDerWaalsContact C-N 3.27Å; I95-Y97 PolarHBondContact O-N 2.99Å; I95-L98 PolarHBondContact O-N 3.31Å; I95-L98 VanDerWaalsContact O-N 3.1Å; I95-L99 HydrophobicContact CG2-CD1 3.71Å; I95-L99 HydrophobicContact CG2-CG 4.08Å; I95-L99 VanDerWaalsContact O-CG 3.29Å; I95-L99 WeakPolarHBondContact O-CG 3.47Å; I95-L99 PolarHBondContact O-N 3.43Å; I95-L112 HydrophobicContact CG2-CD1 4.17Å; I95-F115 HydrophobicContact CD1-CB 3.96Å; I95-F115 HydrophobicContact CG1-CB 3.67Å; I95-F115 HydrophobicContact CG1-CD2 4.28Å; I95-F115 HydrophobicContact CG1-CG 4.45Å; I95-L119 HydrophobicContact CD1-CB 3.95Å; I95-L119 HydrophobicContact CD1-CD2 3.64Å; I95-L119 HydrophobicContact CD1-CG 4.33Å; I95-F155 HydrophobicContact CD1-CE2 4.31Å; I95-F155 HydrophobicContact CG2-CE2 4.01Å; I95-F155 HydrophobicContact CG2-CZ 3.81Å
96D96.1Very high95.6Very high58 Ų5857.1 Ų57.131%0.3129%0.288SS..Hα-helixtrans-58.2-40178.8-80-13.3000112.3T92 K100T92-D96 WeakPolarHBondContact O-CB 3.46Å; T92-D96 PolarHBondContact O-N 3.05Å; D96-K100 WeakPolarHBondContact O-CB 3.31Å; D96-K100 WeakPolarHBondContact O-CD 3.44Å; D96-K100 VanDerWaalsContact O-CG 3.23Å; D96-K100 WeakPolarHBondContact O-CG 3.21Å; D96-K100 PolarHBondContact O-N 3.48Å; D96-K100 VanDerWaalsContact O-N 3.16Å
97Y95.5Very high95.6Very high129 Ų12958.5 Ų58.551%0.50630%0.302SS..Hα-helixtrans-61.4-49.6174.3171.2-101.6000111.3K93 E94 I95 L99 K100 L101K93-Y97 WeakPolarHBondContact O-CB 2.9Å; K93-Y97 PolarHBondContact O-N 3.34Å; E94-Y97 PolarHBondContact O-N 2.94Å; I95-Y97 VanDerWaalsContact C-N 3.27Å; I95-Y97 PolarHBondContact O-N 2.99Å; Y97-L99 PolarHBondContact O-N 3.01Å; Y97-K100 PolarHBondContact O-N 2.96Å; Y97-L101 HydrophobicContact CE1-CD1 4.48Å; Y97-L101 HydrophobicContact CE1-CD2 4.27Å; Y97-L101 HydrophobicContact CE2-CD2 4.35Å; Y97-L101 PolarHBondContact O-N 3.37Å
98L96.8Very high95.6Very high11 Ų1160.9 Ų60.96%0.05832%0.315CS..Hα-helixtrans-61.6-42.7178.9-71.3170.2000112.2E94 I95 K100 L101 N108 I111 L112 F115E94-L98 VanDerWaalsContact O-CG 3.31Å; E94-L98 WeakPolarHBondContact O-CG 3.47Å; E94-L98 PolarHBondContact O-N 2.92Å; I95-L98 PolarHBondContact O-N 3.31Å; I95-L98 VanDerWaalsContact O-N 3.1Å; L98-K100 VanDerWaalsContact C-N 3.25Å; L98-K100 PolarHBondContact O-N 3.49Å; L98-L101 HydrophobicContact CD2-CD1 3.98Å; L98-L101 WeakPolarHBondContact O-CB 3.46Å; L98-L101 PolarHBondContact O-N 2.92Å; L98-N108 HydrophobicContact CD2-CB 4.16Å; L98-I111 HydrophobicContact CD1-CG2 3.97Å; L98-L112 HydrophobicContact CB-CD1 3.96Å; L98-L112 HydrophobicContact CD1-CB 4.12Å; L98-L112 HydrophobicContact CD1-CD1 4.18Å; L98-F115 HydrophobicContact CD1-CD2 3.88Å; L98-F115 HydrophobicContact CD1-CE2 4.17Å
99L96.3Very high95.7Very high26 Ų2659 Ų5914%0.13631%0.306CS..Hα-helixtrans-64.9-27.9178.5-67.7178.4000112.9I95 Y97 L112 L132 L137 I152 F155I95-L99 HydrophobicContact CG2-CD1 3.71Å; I95-L99 HydrophobicContact CG2-CG 4.08Å; I95-L99 VanDerWaalsContact O-CG 3.29Å; I95-L99 WeakPolarHBondContact O-CG 3.47Å; I95-L99 PolarHBondContact O-N 3.43Å; Y97-L99 PolarHBondContact O-N 3.01Å; L99-L112 HydrophobicContact CD2-CD1 4.02Å; L99-L112 HydrophobicContact CD2-CD2 3.85Å; L99-L112 HydrophobicContact CG-CD1 4.26Å; L99-L132 HydrophobicContact CD1-CD1 4.02Å; L99-L137 HydrophobicContact CD1-CD1 4.42Å; L99-L137 HydrophobicContact CD1-CD2 4.04Å; L99-L137 HydrophobicContact CD2-CD1 4.1Å; L99-L137 HydrophobicContact CD2-CD2 4.03Å; L99-I152 HydrophobicContact CD2-CD1 3.44Å; L99-I152 VanDerWaalsContact CD2-CD1 3.44Å; L99-F155 HydrophobicContact CD1-CE1 4.45Å; L99-F155 HydrophobicContact CD2-CD1 4.39Å; L99-F155 HydrophobicContact CD2-CE1 4.37Å
100K94.4Very high95.8Very high155 Ų15559.1 Ų59.167%0.67431%0.305SS*.Hα-helixtrans-83.9-11.5178.7-73.5169.2-173.4167.30113.7D96 Y97 L98D96-K100 WeakPolarHBondContact O-CB 3.31Å; D96-K100 WeakPolarHBondContact O-CD 3.44Å; D96-K100 VanDerWaalsContact O-CG 3.23Å; D96-K100 WeakPolarHBondContact O-CG 3.21Å; D96-K100 PolarHBondContact O-N 3.48Å; D96-K100 VanDerWaalsContact O-N 3.16Å; Y97-K100 PolarHBondContact O-N 2.96Å; L98-K100 VanDerWaalsContact C-N 3.25Å; L98-K100 PolarHBondContact O-N 3.49Å
101L94.7Very high96Very high27 Ų2760.8 Ų60.814%0.14131%0.314CS..  trans-57.5144.1178.4-69.6175.9000111.1Y97 L98 N103 L104 K145Y97-L101 HydrophobicContact CE1-CD1 4.48Å; Y97-L101 HydrophobicContact CE1-CD2 4.27Å; Y97-L101 HydrophobicContact CE2-CD2 4.35Å; Y97-L101 PolarHBondContact O-N 3.37Å; L98-L101 HydrophobicContact CD2-CD1 3.98Å; L98-L101 WeakPolarHBondContact O-CB 3.46Å; L98-L101 PolarHBondContact O-N 2.92Å; L101-N103 VanDerWaalsContact C-N 3.28Å; L101-N103 PolarHBondContact O-N 2.91Å; L101-L104 HydrophobicContact CB-CD2 4.34Å; L101-L104 HydrophobicContact CD1-CD2 3.96Å; L101-K145 PolarHBondContact O-NZ 3.48Å
102P93.6Very high96Very high93 Ų9360.8 Ų60.860%0.60431%0.314SS*.SBendtrans-68.3-32.8177.126.4-33.3000111.4
103N93.9Very high96.1Very high106 Ų10661.5 Ų61.557%0.56731%0.313SS*.  trans-139.3144.4178.2-69.7-58.7000110.7L101 N147L101-N103 VanDerWaalsContact C-N 3.28Å; L101-N103 PolarHBondContact O-N 2.91Å; N103-N147 PolarHBondContact OD1-ND2 3.49Å
104L95.8Very high96.3Very high16 Ų1657.4 Ų57.48%0.08430%0.295CS..  trans-112.4141.2169.5-66.4170.9000109L101 N108 L112 L148 Y151 I152L101-L104 HydrophobicContact CB-CD2 4.34Å; L101-L104 HydrophobicContact CD1-CD2 3.96Å; L104-N108 HydrophobicContact CD2-CB 3.95Å; L104-L112 HydrophobicContact CD1-CD2 4.03Å; L104-L148 HydrophobicContact CB-CD2 4.12Å; L104-L148 HydrophobicContact CG-CD2 4.43Å; L104-Y151 HydrophobicContact CB-CD2 3.63Å; L104-Y151 HydrophobicContact CB-CE2 3.98Å; L104-Y151 HydrophobicContact CB-CG 4.07Å; L104-Y151 HydrophobicContact CD1-CD2 4.34Å; L104-Y151 HydrophobicContact CD1-CG 4.28Å; L104-Y151 WeakPolarHBondContact O-CE2 3.49Å; L104-I152 HydrophobicContact CD1-CD1 4.36Å
105N95.4Very high96.4Very high84 Ų8456.9 Ų56.945%0.44929%0.292SS..  trans-111.4176170.763.927.7000109.5S107 N108 G109N105-S107 PolarHBondContact O-N 2.88Å; N105-S107 VanDerWaalsContact O-N 3.16Å; N105-S107 WeakPolarHBondContact OD1-CB 3.29Å; N105-S107 PolarHBondContact OD1-N 3.26Å; N105-S107 VanDerWaalsContact OD1-N 3.1Å; N105-N108 PolarHBondContact O-N 3.22Å; N105-N108 PolarHBondContact OD1-N 3.26Å; N105-G109 PolarHBondContact O-N 2.94Å
106V95.5Very high96.4Very high113 Ų11356.8 Ų56.869%0.68529%0.292SS*.Hα-helixtrans-53.5-38.5-179.6-179.40000112.3K110 Y151V106-K110 VanDerWaalsContact O-CB 3.23Å; V106-K110 WeakPolarHBondContact O-CB 3.34Å; V106-K110 PolarHBondContact O-N 2.81Å; V106-Y151 PolarHBondContact N-OH 3.44Å
107S96.1Very high96.5Very high71 Ų7154.3 Ų54.350%0.49728%0.28SS..Hα-helixtrans-66.7-56179.1-174.30000112N105 G109 K110 I111N105-S107 PolarHBondContact O-N 2.88Å; N105-S107 VanDerWaalsContact O-N 3.16Å; N105-S107 WeakPolarHBondContact OD1-CB 3.29Å; N105-S107 PolarHBondContact OD1-N 3.26Å; N105-S107 VanDerWaalsContact OD1-N 3.1Å; S107-G109 VanDerWaalsContact C-N 3.32Å; S107-G109 PolarHBondContact O-N 3.4Å; S107-K110 WeakPolarHBondContact O-CB 3.39Å; S107-K110 PolarHBondContact O-N 2.92Å; S107-I111 WeakPolarHBondContact O-CG1 3.36Å; S107-I111 PolarHBondContact O-N 2.71Å; S107-I111 VanDerWaalsContact O-N 3.09Å
108N96.3Very high96.6Very high51 Ų5148.1 Ų48.127%0.27326%0.256SS..Hα-helixtrans-68.1-34.1-178.2-70.5-3.5000111.8L98 L104 N105 I111 L112L98-N108 HydrophobicContact CD2-CB 4.16Å; L104-N108 HydrophobicContact CD2-CB 3.95Å; N105-N108 PolarHBondContact O-N 3.22Å; N105-N108 PolarHBondContact OD1-N 3.26Å; N108-I111 PolarHBondContact O-N 2.86Å; N108-L112 WeakPolarHBondContact O-CB 3.3Å; N108-L112 PolarHBondContact O-N 3.42Å
109G97.7Very high96.7Very high5 Ų547.9 Ų47.95%0.05225%0.254CS..Hα-helixtrans-63.7-40.317400000112.6N105 S107 L112 K113N105-G109 PolarHBondContact O-N 2.94Å; S107-G109 VanDerWaalsContact C-N 3.32Å; S107-G109 PolarHBondContact O-N 3.4Å; G109-L112 PolarHBondContact O-N 3.25Å; G109-K113 PolarHBondContact O-N 3.36Å
110K97.6Very high96.7Very high108 Ų10846.6 Ų46.647%0.4725%0.248SC..Hα-helixtrans-63.3-45173.9-176.8-177.5-177.5-173.40111.8V106 S107 K113 Y114V106-K110 VanDerWaalsContact O-CB 3.23Å; V106-K110 WeakPolarHBondContact O-CB 3.34Å; V106-K110 PolarHBondContact O-N 2.81Å; S107-K110 WeakPolarHBondContact O-CB 3.39Å; S107-K110 PolarHBondContact O-N 2.92Å; K110-K113 WeakPolarHBondContact O-CB 3.19Å; K110-K113 PolarHBondContact O-N 2.96Å; K110-Y114 HydrophobicContact CD-CE2 4.09Å; K110-Y114 VanDerWaalsContact CE-CE2 3.45Å; K110-Y114 WeakPolarHBondContact CE-OH 3.3Å; K110-Y114 HydrophobicContact CG-CD2 4.26Å; K110-Y114 HydrophobicContact CG-CE1 4.21Å; K110-Y114 HydrophobicContact CG-CE2 3.65Å; K110-Y114 VanDerWaalsContact O-CG 3.29Å; K110-Y114 PolarHBondContact O-N 3.42Å
111I98Very high96.8Very high41 Ų4141.8 Ų41.821%0.2123%0.225CC..Hα-helixtrans-61-46.8175.8-65170.1000110.4A60 L98 S107 N108 K113 Y114 F115A60-I111 HydrophobicContact CB-CG1 4.21Å; A60-I111 HydrophobicContact CB-CG2 3.96Å; L98-I111 HydrophobicContact CD1-CG2 3.97Å; S107-I111 WeakPolarHBondContact O-CG1 3.36Å; S107-I111 PolarHBondContact O-N 2.71Å; S107-I111 VanDerWaalsContact O-N 3.09Å; N108-I111 PolarHBondContact O-N 2.86Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.02Å; I111-Y114 PolarHBondContact O-N 2.96Å; I111-Y114 VanDerWaalsContact O-N 3.14Å; I111-F115 HydrophobicContact CG2-CD1 4.38Å; I111-F115 HydrophobicContact CG2-CD2 3.82Å; I111-F115 HydrophobicContact CG2-CE1 4.11Å; I111-F115 HydrophobicContact CG2-CE2 3.5Å; I111-F115 VanDerWaalsContact CG2-CE2 3.5Å; I111-F115 HydrophobicContact CG2-CG 4.25Å; I111-F115 HydrophobicContact CG2-CZ 3.67Å; I111-F115 WeakPolarHBondContact O-CB 3.3Å; I111-F115 WeakPolarHBondContact O-CG 3.47Å; I111-F115 PolarHBondContact O-N 3.32Å
112L98.3Very high96.8Very high0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-57.2-46.4177.8-178.564.5000110.9I95 L98 L99 L104 N108 G109 Y114 F115 G116 I152 F155I95-L112 HydrophobicContact CG2-CD1 4.17Å; L98-L112 HydrophobicContact CB-CD1 3.96Å; L98-L112 HydrophobicContact CD1-CB 4.12Å; L98-L112 HydrophobicContact CD1-CD1 4.18Å; L99-L112 HydrophobicContact CD2-CD1 4.02Å; L99-L112 HydrophobicContact CD2-CD2 3.85Å; L99-L112 HydrophobicContact CG-CD1 4.26Å; L104-L112 HydrophobicContact CD1-CD2 4.03Å; N108-L112 WeakPolarHBondContact O-CB 3.3Å; N108-L112 PolarHBondContact O-N 3.42Å; G109-L112 PolarHBondContact O-N 3.25Å; L112-Y114 PolarHBondContact O-N 3.33Å; L112-F115 PolarHBondContact O-N 2.95Å; L112-G116 PolarHBondContact O-N 2.79Å; L112-I152 HydrophobicContact CD2-CD1 4.03Å; L112-F155 HydrophobicContact CD1-CD2 3.82Å; L112-F155 HydrophobicContact CD1-CE2 4.07Å; L112-F155 HydrophobicContact CD1-CG 4.16Å; L112-F155 HydrophobicContact CD2-CB 4.02Å; L112-F155 HydrophobicContact CD2-CG 4.22Å; L112-F155 HydrophobicContact CG-CB 3.86Å; L112-F155 HydrophobicContact CG-CD2 3.8Å; L112-F155 HydrophobicContact CG-CG 3.86Å; L112-F155 VanDerWaalsContact O-CD2 3.3Å; L112-F155 WeakPolarHBondContact O-CD2 3.26Å
113K98.3Very high96.9Very high55 Ų5536.4 Ų36.424%0.23919%0.192CC..Hα-helixtrans-55.6-48.4174.7-178.3-178.3-174159.60112.2G109 K110 I111 F115 G116 G117 S154 E158G109-K113 PolarHBondContact O-N 3.36Å; K110-K113 WeakPolarHBondContact O-CB 3.19Å; K110-K113 PolarHBondContact O-N 2.96Å; I111-K113 VanDerWaalsContact C-N 3.32Å; I111-K113 PolarHBondContact O-N 3.02Å; K113-F115 PolarHBondContact O-N 3.22Å; K113-G116 PolarHBondContact O-N 3.45Å; K113-G117 PolarHBondContact O-N 3.39Å; K113-S154 WeakPolarHBondContact CD-OG 3.43Å; K113-S154 PolarHBondContact NZ-OG 3.06Å; K113-E158 WeakPolarHBondContact CE-OE2 3.22Å; K113-E158 HydrophobicContact CG-CB 3.9Å; K113-E158 HydrophobicContact CG-CG 4.09Å
114Y98.5Very high96.8Very high39 Ų3931.4 Ų31.415%0.15317%0.165CC..Hα-helixtrans-63.3-41.7179.7-67.6-10.6000112.4A60 P63 K110 I111 L112 G117 F118A60-Y114 WeakPolarHBondContact O-CD2 3.48Å; P63-Y114 HydrophobicContact CB-CD1 4.29Å; P63-Y114 HydrophobicContact CB-CE1 3.84Å; P63-Y114 HydrophobicContact CB-CE2 4.08Å; P63-Y114 HydrophobicContact CG-CE1 4.28Å; P63-Y114 HydrophobicContact CG-CE2 3.98Å; P63-Y114 WeakPolarHBondContact CG-OH 3.44Å; K110-Y114 HydrophobicContact CD-CE2 4.09Å; K110-Y114 VanDerWaalsContact CE-CE2 3.45Å; K110-Y114 WeakPolarHBondContact CE-OH 3.3Å; K110-Y114 HydrophobicContact CG-CD2 4.26Å; K110-Y114 HydrophobicContact CG-CE1 4.21Å; K110-Y114 HydrophobicContact CG-CE2 3.65Å; K110-Y114 VanDerWaalsContact O-CG 3.29Å; K110-Y114 PolarHBondContact O-N 3.42Å; I111-Y114 PolarHBondContact O-N 2.96Å; I111-Y114 VanDerWaalsContact O-N 3.14Å; L112-Y114 PolarHBondContact O-N 3.33Å; Y114-G117 PolarHBondContact O-N 2.63Å; Y114-F118 WeakPolarHBondContact O-CB 3.43Å; Y114-F118 PolarHBondContact O-N 3.23Å
115F98.3Very high96.7Very high4 Ų431.1 Ų31.12%0.01817%0.165CC..Hα-helixtrans-65.1-38.6174.5-73.4-4.9000112.4L56 I59 A60 L91 E94 I95 L98 I111 L112 K113 F118 L119L56-F115 HydrophobicContact CD1-CD1 4.14Å; L56-F115 HydrophobicContact CD1-CE1 3.6Å; L56-F115 HydrophobicContact CD1-CE2 4.47Å; L56-F115 HydrophobicContact CD1-CZ 3.79Å; L56-F115 HydrophobicContact CD2-CZ 4.13Å; L56-F115 HydrophobicContact CG-CE1 3.92Å; L56-F115 HydrophobicContact CG-CZ 3.73Å; I59-F115 HydrophobicContact CB-CE1 4.43Å; I59-F115 HydrophobicContact CG2-CD1 3.94Å; I59-F115 HydrophobicContact CG2-CE1 4.14Å; A60-F115 HydrophobicContact CB-CE1 3.71Å; A60-F115 HydrophobicContact CB-CZ 3.86Å; L91-F115 HydrophobicContact CD1-CB 3.64Å; L91-F115 HydrophobicContact CD1-CD1 3.86Å; L91-F115 HydrophobicContact CD1-CD2 4.18Å; L91-F115 HydrophobicContact CD1-CG 3.64Å; E94-F115 HydrophobicContact CB-CD2 4.36Å; E94-F115 HydrophobicContact CB-CE2 3.92Å; I95-F115 HydrophobicContact CD1-CB 3.96Å; I95-F115 HydrophobicContact CG1-CB 3.67Å; I95-F115 HydrophobicContact CG1-CD2 4.28Å; I95-F115 HydrophobicContact CG1-CG 4.45Å; L98-F115 HydrophobicContact CD1-CD2 3.88Å; L98-F115 HydrophobicContact CD1-CE2 4.17Å; I111-F115 HydrophobicContact CG2-CD1 4.38Å; I111-F115 HydrophobicContact CG2-CD2 3.82Å; I111-F115 HydrophobicContact CG2-CE1 4.11Å; I111-F115 HydrophobicContact CG2-CE2 3.5Å; I111-F115 VanDerWaalsContact CG2-CE2 3.5Å; I111-F115 HydrophobicContact CG2-CG 4.25Å; I111-F115 HydrophobicContact CG2-CZ 3.67Å; I111-F115 WeakPolarHBondContact O-CB 3.3Å; I111-F115 WeakPolarHBondContact O-CG 3.47Å; I111-F115 PolarHBondContact O-N 3.32Å; L112-F115 PolarHBondContact O-N 2.95Å; K113-F115 PolarHBondContact O-N 3.22Å; F115-F118 PolarHBondContact O-N 2.95Å; F115-L119 VanDerWaalsContact O-CB 3.26Å; F115-L119 WeakPolarHBondContact O-CB 3.41Å; F115-L119 PolarHBondContact O-N 3.47Å
116G98.1Very high96.4Very high0 Ų033.2 Ų33.20%017%0.167CC..Hα-helixtrans-61.4-47.7173.900000113L112 K113 F118 L119 G120 F155 L159L112-G116 PolarHBondContact O-N 2.79Å; K113-G116 PolarHBondContact O-N 3.45Å; G116-F118 VanDerWaalsContact C-N 3.32Å; G116-F118 PolarHBondContact O-N 3.36Å; G116-L119 PolarHBondContact O-N 2.79Å; G116-G120 PolarHBondContact O-N 3.09Å; G116-F155 VanDerWaalsContact CA-CD2 3.47Å; G116-L159 WeakPolarHBondContact O-CA 3.38Å; G116-L159 VanDerWaalsContact O-CD1 3.3Å; G116-L159 WeakPolarHBondContact O-CD1 3.41Å
117G97.7Very high96.2Very high6 Ų629 Ų296%0.06214%0.141CC..Hα-helixtrans-58.8-43.9174.700000112.6K113 Y114 G120 R121 N162K113-G117 PolarHBondContact O-N 3.39Å; Y114-G117 PolarHBondContact O-N 2.63Å; G117-G120 PolarHBondContact O-N 3.17Å; G117-R121 PolarHBondContact O-N 2.9Å; G117-R121 VanDerWaalsContact O-N 3.1Å; G117-N162 PolarHBondContact O-ND2 3.22Å
118F98Very high95.9Very high0 Ų028.7 Ų28.70%013%0.133CC..Hα-helixtrans-70-37.6179.3-152.2-88.8000112.6I59 H66 I73 L91 Y114 F115 G116 G120 R121 L122I59-F118 HydrophobicContact CD1-CD1 3.65Å; I59-F118 HydrophobicContact CD1-CD2 3.97Å; I59-F118 HydrophobicContact CD1-CE1 3.41Å; I59-F118 VanDerWaalsContact CD1-CE1 3.41Å; I59-F118 HydrophobicContact CD1-CE2 3.75Å; I59-F118 HydrophobicContact CD1-CG 3.92Å; I59-F118 HydrophobicContact CD1-CZ 3.46Å; I59-F118 VanDerWaalsContact CD1-CZ 3.46Å; I59-F118 HydrophobicContact CG1-CD2 3.96Å; I59-F118 HydrophobicContact CG1-CE1 4.38Å; I59-F118 HydrophobicContact CG1-CE2 3.82Å; I59-F118 HydrophobicContact CG1-CG 4.3Å; I59-F118 HydrophobicContact CG1-CZ 4.04Å; I59-F118 HydrophobicContact CG2-CB 3.8Å; I59-F118 HydrophobicContact CG2-CD1 4.45Å; I59-F118 HydrophobicContact CG2-CD2 3.77Å; I59-F118 HydrophobicContact CG2-CE2 4.49Å; I59-F118 HydrophobicContact CG2-CG 3.74Å; H66-F118 HydrophobicContact CB-CD2 4.07Å; H66-F118 HydrophobicContact CB-CE2 4.2Å; H66-F118 AromaticContact CG-CD2 3.95Å; H66-F118 WeakPolarHBondContact O-CE2 3.47Å; I73-F118 HydrophobicContact CD1-CE1 3.61Å; I73-F118 HydrophobicContact CD1-CZ 3.63Å; L91-F118 HydrophobicContact CD2-CB 4.49Å; L91-F118 HydrophobicContact CD2-CD1 4.16Å; Y114-F118 WeakPolarHBondContact O-CB 3.43Å; Y114-F118 PolarHBondContact O-N 3.23Å; F115-F118 PolarHBondContact O-N 2.95Å; G116-F118 VanDerWaalsContact C-N 3.32Å; G116-F118 PolarHBondContact O-N 3.36Å; F118-G120 VanDerWaalsContact C-N 3.34Å; F118-R121 WeakPolarHBondContact O-CB 3.43Å; F118-R121 PolarHBondContact O-N 3.38Å; F118-L122 HydrophobicContact CD1-CD1 3.79Å; F118-L122 HydrophobicContact CD1-CG 3.97Å; F118-L122 HydrophobicContact CE1-CD1 3.8Å; F118-L122 HydrophobicContact CE1-CD2 4.17Å; F118-L122 HydrophobicContact CE1-CG 3.88Å; F118-L122 PolarHBondContact O-N 3.37Å
119L97.8Very high95.5Very high5 Ų531.2 Ų31.23%0.02615%0.152CC..Hα-helixtrans-60.8-46.1173.8178.362.9000110.3L88 L91 I95 F115 G116 R121 L122 T123 L130 L159L88-L119 HydrophobicContact CD1-CD1 3.39Å; L91-L119 HydrophobicContact CD2-CB 3.82Å; L91-L119 HydrophobicContact CD2-CD1 4.15Å; L91-L119 HydrophobicContact CG-CB 4.45Å; I95-L119 HydrophobicContact CD1-CB 3.95Å; I95-L119 HydrophobicContact CD1-CD2 3.64Å; I95-L119 HydrophobicContact CD1-CG 4.33Å; F115-L119 VanDerWaalsContact O-CB 3.26Å; F115-L119 WeakPolarHBondContact O-CB 3.41Å; F115-L119 PolarHBondContact O-N 3.47Å; G116-L119 PolarHBondContact O-N 2.79Å; L119-R121 PolarHBondContact O-N 3Å; L119-L122 PolarHBondContact O-N 3.17Å; L119-T123 HydrophobicContact CD1-CG2 3.98Å; L119-T123 WeakPolarHBondContact O-CB 3.42Å; L119-T123 PolarHBondContact O-N 3.36Å; L119-T123 PolarHBondContact O-OG1 3Å; L119-L130 HydrophobicContact CD2-CD1 3.69Å; L119-L130 HydrophobicContact CG-CD1 3.99Å; L119-L159 HydrophobicContact CB-CD1 4.21Å; L119-L159 HydrophobicContact CD2-CD1 4.24Å; L119-L159 HydrophobicContact CG-CD1 4.16Å
120G96.7Very high95.2Very high0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-61.3-34.3177.300000112.6G116 G117 F118 T123 M124 A125 N162G116-G120 PolarHBondContact O-N 3.09Å; G117-G120 PolarHBondContact O-N 3.17Å; F118-G120 VanDerWaalsContact C-N 3.34Å; G120-T123 PolarHBondContact O-N 2.76Å; G120-M124 WeakPolarHBondContact O-CA 3.3Å; G120-M124 WeakPolarHBondContact O-CB 3.36Å; G120-M124 PolarHBondContact O-N 3.1Å; G120-A125 PolarHBondContact O-N 2.99Å; G120-N162 VanDerWaalsContact C-CB 3.49Å; G120-N162 WeakPolarHBondContact O-CB 3.28Å
121R95.4Very high94.7Very high54 Ų5436.1 Ų36.120%0.20418%0.176CC..Hα-helixtrans-70.4-41.3175.2-175178.6-65.5-93.50.9113.2N67 Y70 G117 F118 L119 T123 Y126 N162N67-R121 PolarHBondContact OD1-NH1 3.25Å; N67-R121 PolarHBondContact OD1-NH2 3.06Å; Y70-R121 VanDerWaalsContact CB-CD 3.46Å; Y70-R121 HydrophobicContact CD1-CG 4.43Å; Y70-R121 HydrophobicContact CD2-CG 3.69Å; Y70-R121 HydrophobicContact CE2-CG 4.24Å; Y70-R121 HydrophobicContact CG-CG 3.82Å; G117-R121 PolarHBondContact O-N 2.9Å; G117-R121 VanDerWaalsContact O-N 3.1Å; F118-R121 WeakPolarHBondContact O-CB 3.43Å; F118-R121 PolarHBondContact O-N 3.38Å; L119-R121 PolarHBondContact O-N 3Å; R121-T123 PolarHBondContact O-N 3.04Å; R121-Y126 VanDerWaalsContact O-CD2 3.3Å; R121-Y126 WeakPolarHBondContact O-CD2 2.84Å; R121-Y126 WeakPolarHBondContact O-CE2 3.44Å; R121-N162 PolarHBondContact N-OD1 2.87Å
122L95.2Very high94.5Very high3 Ų335.6 Ų35.62%0.01617%0.174CC..Hα-helixtrans-70.5-23175.2-72.2176.6000112.5Y70 L91 F118 L119Y70-L122 HydrophobicContact CD2-CD2 3.81Å; Y70-L122 HydrophobicContact CE2-CD2 3.92Å; L91-L122 HydrophobicContact CD2-CD1 3.9Å; F118-L122 HydrophobicContact CD1-CD1 3.79Å; F118-L122 HydrophobicContact CD1-CG 3.97Å; F118-L122 HydrophobicContact CE1-CD1 3.8Å; F118-L122 HydrophobicContact CE1-CD2 4.17Å; F118-L122 HydrophobicContact CE1-CG 3.88Å; F118-L122 PolarHBondContact O-N 3.37Å; L119-L122 PolarHBondContact O-N 3.17Å
123T95.3Very high94.3Very high4 Ų439.7 Ų39.73%0.02520%0.196CC..THydrogen-bonded Turntrans-117-76.7-171.857.10000113.1L88 L119 G120 R121 A125 Y126 D127 I128L88-T123 HydrophobicContact CD1-CG2 3.6Å; L88-T123 HydrophobicContact CD2-CG2 4.27Å; L119-T123 HydrophobicContact CD1-CG2 3.98Å; L119-T123 WeakPolarHBondContact O-CB 3.42Å; L119-T123 PolarHBondContact O-N 3.36Å; L119-T123 PolarHBondContact O-OG1 3Å; G120-T123 PolarHBondContact O-N 2.76Å; R121-T123 PolarHBondContact O-N 3.04Å; T123-A125 VanDerWaalsContact C-N 3.33Å; T123-A125 PolarHBondContact O-N 3.33Å; T123-Y126 CarbonylContact O-C 3.57Å; T123-Y126 PolarHBondContact O-N 2.63Å; T123-D127 PolarHBondContact O-N 3.23Å; T123-I128 CarbonylContact C-O 3.54Å; T123-I128 HydrophobicContact CG2-CG2 4.39Å; T123-I128 PolarHBondContact O-N 3.48Å
124M93.5Very high94.2Very high1 Ų137.1 Ų37.11%0.00518%0.184CC..G310 helixtrans-58.8-42.9-170.7-55.6-175.776.500112.3G120 Y126 D127 L159 L160 N162 I163 S166 I169 W175G120-M124 WeakPolarHBondContact O-CA 3.3Å; G120-M124 WeakPolarHBondContact O-CB 3.36Å; G120-M124 PolarHBondContact O-N 3.1Å; M124-Y126 PolarHBondContact O-N 3.29Å; M124-D127 PolarHBondContact O-N 2.68Å; M124-L159 HydrophobicContact SD-CD1 3.99Å; M124-L159 HydrophobicContact SD-CG 3.92Å; M124-L160 HydrophobicContact CE-CD2 4.03Å; M124-N162 HydrophobicContact CB-CB 4.34Å; M124-I163 HydrophobicContact CE-CG2 3.3Å; M124-I163 HydrophobicContact SD-CG2 4.39Å; M124-S166 WeakPolarHBondContact O-CB 3.4Å; M124-S166 PolarHBondContact O-OG 2.94Å; M124-I169 HydrophobicContact CE-CG2 3.83Å; M124-W175 HydrophobicContact CE-CH2 3.84Å; M124-W175 HydrophobicContact CE-CZ3 3.49Å; M124-W175 VanDerWaalsContact CE-CZ3 3.49Å
125A92.4Very high94.1Very high10 Ų1037.7 Ų37.78%0.08319%0.188CC..G310 helixtrans-57.6-22.2178.900000113.4G120 T123G120-A125 PolarHBondContact O-N 2.99Å; T123-A125 VanDerWaalsContact C-N 3.33Å; T123-A125 PolarHBondContact O-N 3.33Å
126Y90.1Very high93.9Very high127 Ų12739.5 Ų39.550%0.49820%0.201SC..G310 helixtrans-118.423.4-179.1-63.6-84.6000112.9Y70 R121 T123 M124 I128Y70-Y126 AromaticContact CE1-CE2 3.93Å; Y70-Y126 HydrophobicContact CE1-CE2 3.93Å; Y70-Y126 AromaticContact CE1-CZ 3.86Å; Y70-Y126 WeakPolarHBondContact CE1-OH 3.46Å; Y70-Y126 HydrophobicContact CE2-CD2 4.47Å; Y70-Y126 AromaticContact CE2-CE2 3.86Å; Y70-Y126 HydrophobicContact CE2-CE2 3.86Å; Y70-Y126 AromaticContact CZ-CE2 3.29Å; Y70-Y126 AromaticContact CZ-CZ 3.54Å; Y70-Y126 WeakPolarHBondContact OH-CE2 3.33Å; Y70-Y126 PolarHBondContact OH-OH 3.3Å; R121-Y126 VanDerWaalsContact O-CD2 3.3Å; R121-Y126 WeakPolarHBondContact O-CD2 2.84Å; R121-Y126 WeakPolarHBondContact O-CE2 3.44Å; T123-Y126 CarbonylContact O-C 3.57Å; T123-Y126 PolarHBondContact O-N 2.63Å; M124-Y126 PolarHBondContact O-N 3.29Å; Y126-I128 PolarHBondContact O-N 3.23Å
127D90.7Very high93.9Very high24 Ų2440.8 Ų40.813%0.12821%0.208CC..THydrogen-bonded Turntrans59.127178.1-49.7-34.8000114.7T123 M124 S166 K167 R168T123-D127 PolarHBondContact O-N 3.23Å; M124-D127 PolarHBondContact O-N 2.68Å; D127-S166 PolarHBondContact OD1-OG 3.31Å; D127-K167 PolarHBondContact OD1-N 3.39Å; D127-R168 HydrophobicContact CB-CB 4.2Å; D127-R168 HydrophobicContact CB-CG 4.49Å; D127-R168 VanDerWaalsContact CB-NE 3.3Å; D127-R168 VanDerWaalsContact CB-NH2 3.27Å; D127-R168 PolarHBondContact O-NH2 2.84Å; D127-R168 PolarHBondContact OD1-N 3.5Å; D127-R168 WeakPolarHBondContact OD2-CG 3.41Å; D127-R168 IonicContact OD2-CZ 2.78Å; D127-R168 IonicContact OD2-NE 3.65Å; D127-R168 PolarHBondContact OD2-NE 3.22Å
128I91Very high93.9Very high65 Ų6540.5 Ų40.533%0.33321%0.205SC..PPolyproline II helixtrans-85.9125.3173-54.3-179.7000108T123 Y126T123-I128 CarbonylContact C-O 3.54Å; T123-I128 HydrophobicContact CG2-CG2 4.39Å; T123-I128 PolarHBondContact O-N 3.48Å; Y126-I128 PolarHBondContact O-N 3.23Å
129P86.8Confident93.8Very high104 Ų10442.2 Ų42.268%0.67521%0.211SC*.PPolyproline II helixtrans-60.8138.3179-23.834000112.8
130L90.9Very high93.7Very high29 Ų2944.9 Ų44.915%0.15223%0.228CC..PPolyproline II helixtrans-80.1134.8174.9-170.172.6000110.5L119 L132 I134 L159 W175L119-L130 HydrophobicContact CD2-CD1 3.69Å; L119-L130 HydrophobicContact CG-CD1 3.99Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 HydrophobicContact CD1-CB 4.42Å; L130-L132 HydrophobicContact CD2-CB 3.82Å; L130-L132 HydrophobicContact CD2-CD2 4.48Å; L130-L132 HydrophobicContact CG-CB 3.86Å; L130-I134 HydrophobicContact CD2-CD1 3.65Å; L130-I134 HydrophobicContact CD2-CG1 4.16Å; L130-L159 HydrophobicContact CD1-CD1 4.33Å; L130-L159 HydrophobicContact CD2-CD2 3.75Å; L130-W175 HydrophobicContact CB-CH2 4.32Å; L130-W175 HydrophobicContact CB-CZ2 4.23Å; L130-W175 HydrophobicContact CD2-CH2 3.96Å; L130-W175 HydrophobicContact CD2-CZ2 3.95Å
131Q87.2Confident93.7Very high187 Ų18745.3 Ų45.387%0.87423%0.231SC*.  trans-88.51.7177.1-62.5-175.97.600113.9
132L93.5Very high93.7Very high31 Ų3144.8 Ų44.816%0.16223%0.23CC..SBendtrans-92.7125.3-177.6-178.771.4000111.2L99 L130 I134 L137 F155 L159L99-L132 HydrophobicContact CD1-CD1 4.02Å; L130-L132 VanDerWaalsContact C-N 3.33Å; L130-L132 HydrophobicContact CD1-CB 4.42Å; L130-L132 HydrophobicContact CD2-CB 3.82Å; L130-L132 HydrophobicContact CD2-CD2 4.48Å; L130-L132 HydrophobicContact CG-CB 3.86Å; L132-I134 HydrophobicContact CD2-CG1 4.16Å; L132-I134 HydrophobicContact CG-CG1 4.37Å; L132-I134 PolarHBondContact O-N 3.36Å; L132-I134 VanDerWaalsContact O-N 3.08Å; L132-L137 HydrophobicContact CD2-CD2 4.36Å; L132-F155 HydrophobicContact CD2-CE1 3.69Å; L132-F155 HydrophobicContact CD2-CZ 3.71Å; L132-L159 HydrophobicContact CD2-CD2 4.48Å
133D95Very high93.6Very high85 Ų8548.4 Ų48.446%0.45525%0.246SC..  trans-79.788.5171.9-173.2-9.8000111.2K135 S136 L137D133-K135 VanDerWaalsContact C-N 3.3Å; D133-K135 PolarHBondContact O-N 3.23Å; D133-K135 PolarHBondContact OD1-N 3.16Å; D133-K135 VanDerWaalsContact OD1-N 3.16Å; D133-S136 VanDerWaalsContact CG-CB 3.44Å; D133-S136 VanDerWaalsContact CG-OG 3.22Å; D133-S136 PolarHBondContact O-N 2.86Å; D133-S136 PolarHBondContact OD1-N 3.3Å; D133-S136 VanDerWaalsContact OD2-CB 3.24Å; D133-S136 WeakPolarHBondContact OD2-CB 3.23Å; D133-S136 PolarHBondContact OD2-OG 3.34Å; D133-L137 WeakPolarHBondContact O-CB 3.44Å; D133-L137 PolarHBondContact O-N 3.5Å
134I96.7Very high93.6Very high1 Ų153 Ų531%0.00527%0.27CS..Hα-helixtrans-61.7-36.6-179.8-67.7171.5000111.9L130 L132 L137 I138 I156 L159 W175 I179L130-I134 HydrophobicContact CD2-CD1 3.65Å; L130-I134 HydrophobicContact CD2-CG1 4.16Å; L132-I134 HydrophobicContact CD2-CG1 4.16Å; L132-I134 HydrophobicContact CG-CG1 4.37Å; L132-I134 PolarHBondContact O-N 3.36Å; L132-I134 VanDerWaalsContact O-N 3.08Å; I134-L137 PolarHBondContact O-N 2.87Å; I134-I138 HydrophobicContact CG2-CD1 3.82Å; I134-I138 HydrophobicContact CG2-CG1 4.34Å; I134-I138 VanDerWaalsContact O-CG1 3.3Å; I134-I138 WeakPolarHBondContact O-CG1 3.29Å; I134-I138 PolarHBondContact O-N 2.74Å; I134-I156 HydrophobicContact CG2-CD1 3.94Å; I134-I156 HydrophobicContact CG2-CG1 4.16Å; I134-I156 HydrophobicContact CG2-CG2 4Å; I134-L159 HydrophobicContact CD1-CD2 3.8Å; I134-W175 HydrophobicContact CD1-CH2 3.79Å; I134-W175 HydrophobicContact CD1-CZ2 3.84Å; I134-I179 HydrophobicContact CB-CD1 4.04Å; I134-I179 HydrophobicContact CB-CG1 4.25Å; I134-I179 HydrophobicContact CD1-CD1 3.74Å; I134-I179 HydrophobicContact CG1-CD1 4.42Å; I134-I179 HydrophobicContact CG2-CD1 4.31Å; I134-I179 HydrophobicContact CG2-CG1 4.2Å; I134-I179 HydrophobicContact CG2-CG2 3.78Å
135K95.4Very high93.7Very high51 Ų5156 Ų5622%0.22228%0.283CS..Hα-helixtrans-67.5-46-177.5-65.7-171.5-65.9-168.60110.7D133 L137 I138 Y139 E178 I179 V182 Y218D133-K135 VanDerWaalsContact C-N 3.3Å; D133-K135 PolarHBondContact O-N 3.23Å; D133-K135 PolarHBondContact OD1-N 3.16Å; D133-K135 VanDerWaalsContact OD1-N 3.16Å; K135-L137 VanDerWaalsContact C-N 3.31Å; K135-L137 PolarHBondContact O-N 3.2Å; K135-I138 PolarHBondContact O-N 3.2Å; K135-Y139 PolarHBondContact O-N 3.2Å; K135-E178 IonicContact NZ-OE2 3.98Å; K135-E178 PolarHBondContact NZ-OE2 3.47Å; K135-I179 HydrophobicContact CG-CG1 4.38Å; K135-V182 HydrophobicContact CD-CG2 3.95Å; K135-V182 HydrophobicContact CG-CG2 4.04Å; K135-Y218 HydrophobicContact CB-CE1 3.85Å
136S95Very high93.7Very high43 Ų4358.5 Ų58.530%0.30130%0.299SS..Hα-helixtrans-64.9-36.3175.2-66.20000112D133 Y139 T140D133-S136 VanDerWaalsContact CG-CB 3.44Å; D133-S136 VanDerWaalsContact CG-OG 3.22Å; D133-S136 PolarHBondContact O-N 2.86Å; D133-S136 PolarHBondContact OD1-N 3.3Å; D133-S136 VanDerWaalsContact OD2-CB 3.24Å; D133-S136 WeakPolarHBondContact OD2-CB 3.23Å; D133-S136 PolarHBondContact OD2-OG 3.34Å; S136-Y139 PolarHBondContact O-N 2.87Å; S136-T140 VanDerWaalsContact O-CB 3.3Å; S136-T140 WeakPolarHBondContact O-CB 3.46Å; S136-T140 PolarHBondContact O-N 3.06Å; S136-T140 PolarHBondContact O-OG1 3.46Å
137L97.2Very high93.9Very high26 Ų2656.5 Ų56.514%0.13630%0.296CS..Hα-helixtrans-62.6-46.6174.9177.660.3000111.8L99 L132 D133 I134 K135 T141 I152 F155 I156L99-L137 HydrophobicContact CD1-CD1 4.42Å; L99-L137 HydrophobicContact CD1-CD2 4.04Å; L99-L137 HydrophobicContact CD2-CD1 4.1Å; L99-L137 HydrophobicContact CD2-CD2 4.03Å; L132-L137 HydrophobicContact CD2-CD2 4.36Å; D133-L137 WeakPolarHBondContact O-CB 3.44Å; D133-L137 PolarHBondContact O-N 3.5Å; I134-L137 PolarHBondContact O-N 2.87Å; K135-L137 VanDerWaalsContact C-N 3.31Å; K135-L137 PolarHBondContact O-N 3.2Å; L137-T141 VanDerWaalsContact O-CB 3.31Å; L137-T141 WeakPolarHBondContact O-CB 3.47Å; L137-T141 PolarHBondContact O-N 2.73Å; L137-T141 PolarHBondContact O-OG1 3.16Å; L137-I152 HydrophobicContact CD1-CD1 4.45Å; L137-I152 HydrophobicContact CD1-CG2 4.34Å; L137-I152 HydrophobicContact CD2-CG2 4.09Å; L137-I152 HydrophobicContact CG-CG2 3.88Å; L137-F155 HydrophobicContact CD2-CD1 4.28Å; L137-F155 HydrophobicContact CD2-CE1 3.93Å; L137-I156 HydrophobicContact CD2-CD1 4.38Å
138I97.5Very high94.2Very high0 Ų055.6 Ų55.60%029%0.292CS..Hα-helixtrans-60.6-50.4176.6-67.8165.6000110I134 K135 T141 F142 I153 I156 V182 I183 L186 L219I134-I138 HydrophobicContact CG2-CD1 3.82Å; I134-I138 HydrophobicContact CG2-CG1 4.34Å; I134-I138 VanDerWaalsContact O-CG1 3.3Å; I134-I138 WeakPolarHBondContact O-CG1 3.29Å; I134-I138 PolarHBondContact O-N 2.74Å; K135-I138 PolarHBondContact O-N 3.2Å; I138-T141 PolarHBondContact O-N 2.98Å; I138-F142 VanDerWaalsContact O-CB 3.27Å; I138-F142 WeakPolarHBondContact O-CB 3.38Å; I138-F142 PolarHBondContact O-N 3.37Å; I138-I153 HydrophobicContact CG1-CD1 4.44Å; I138-I156 HydrophobicContact CD1-CD1 4.05Å; I138-I156 HydrophobicContact CG1-CD1 3.55Å; I138-V182 HydrophobicContact CB-CG1 4.36Å; I138-V182 HydrophobicContact CD1-CG1 3.95Å; I138-V182 HydrophobicContact CG2-CG1 4.1Å; I138-I183 HydrophobicContact CD1-CD1 4.46Å; I138-I183 HydrophobicContact CD1-CG1 3.65Å; I138-L186 HydrophobicContact CG2-CB 4.48Å; I138-L186 HydrophobicContact CG2-CD2 4.05Å; I138-L219 HydrophobicContact CG2-CD1 4.31Å; I138-L219 HydrophobicContact CG2-CD2 4.08Å
139Y96.2Very high94.5Very high36 Ų3652.6 Ų52.614%0.14128%0.276CS..Hα-helixtrans-59.3-51.4-179.2169.6-105.3000112.5K135 S136 T141 F142 K143 L219 C222 I223K135-Y139 PolarHBondContact O-N 3.2Å; S136-Y139 PolarHBondContact O-N 2.87Å; Y139-T141 VanDerWaalsContact C-N 3.29Å; Y139-T141 PolarHBondContact O-N 3.3Å; Y139-F142 PolarHBondContact O-N 2.85Å; Y139-K143 HydrophobicContact CE1-CD 4.19Å; Y139-K143 HydrophobicContact CE2-CD 4.08Å; Y139-K143 VanDerWaalsContact O-CB 3.3Å; Y139-K143 WeakPolarHBondContact O-CB 3.4Å; Y139-K143 PolarHBondContact O-N 3.4Å; Y139-K143 WeakPolarHBondContact OH-CD 3.36Å; Y139-K143 PolarHBondContact OH-NZ 2.95Å; Y139-L219 HydrophobicContact CD2-CD2 4.28Å; Y139-C222 HydrophobicContact CD1-CB 4.45Å; Y139-C222 HydrophobicContact CD2-CB 3.47Å; Y139-C222 VanDerWaalsContact CD2-CB 3.47Å; Y139-C222 HydrophobicContact CE1-CB 4.24Å; Y139-C222 HydrophobicContact CE2-CB 3.18Å; Y139-C222 HydrophobicContact CG-CB 4.1Å; Y139-C222 PolarHBondContact OH-O 3.27Å; Y139-I223 HydrophobicContact CE2-CG1 4.14Å
140T95.2Very high95.1Very high62 Ų6250 Ų5038%0.3826%0.257SS..Hα-helixtrans-62.3-40-178.4-53.30000110.8S136 D144S136-T140 VanDerWaalsContact O-CB 3.3Å; S136-T140 WeakPolarHBondContact O-CB 3.46Å; S136-T140 PolarHBondContact O-N 3.06Å; S136-T140 PolarHBondContact O-OG1 3.46Å; T140-D144 WeakPolarHBondContact O-CB 3.31Å; T140-D144 PolarHBondContact O-N 3.26Å
141T96.7Very high95.4Very high9 Ų951.5 Ų51.56%0.05526%0.261CS..Hα-helixtrans-67.8-46.8177-52.40000111.3L137 I138 Y139 K143 K145 P146 L148 L149 I152L137-T141 VanDerWaalsContact O-CB 3.31Å; L137-T141 WeakPolarHBondContact O-CB 3.47Å; L137-T141 PolarHBondContact O-N 2.73Å; L137-T141 PolarHBondContact O-OG1 3.16Å; I138-T141 PolarHBondContact O-N 2.98Å; Y139-T141 VanDerWaalsContact C-N 3.29Å; Y139-T141 PolarHBondContact O-N 3.3Å; T141-K143 VanDerWaalsContact C-N 3.3Å; T141-K143 PolarHBondContact O-N 3.06Å; T141-K145 WeakPolarHBondContact CG2-O 3.44Å; T141-K145 CarbonylContact O-C 2.86Å; T141-K145 WeakPolarHBondContact O-CA 3.35Å; T141-K145 PolarHBondContact O-N 3.23Å; T141-K145 VanDerWaalsContact O-O 3.08Å; T141-P146 WeakPolarHBondContact O-CA 3.31Å; T141-P146 VanDerWaalsContact O-N 3.1Å; T141-L148 HydrophobicContact CG2-CB 4Å; T141-L149 HydrophobicContact CG2-CD2 3.75Å; T141-L149 HydrophobicContact CG2-CG 4.01Å; T141-I152 HydrophobicContact CG2-CB 4.09Å; T141-I152 HydrophobicContact CG2-CG1 3.64Å; T141-I152 HydrophobicContact CG2-CG2 4.47Å
142F95.8Very high95.9Very high42 Ų4242.8 Ų42.818%0.18422%0.22CC..Hα-helixtrans-59-43.4179.3174.9-105.8000112I138 Y139 L149 L186 I189 I223I138-F142 VanDerWaalsContact O-CB 3.27Å; I138-F142 WeakPolarHBondContact O-CB 3.38Å; I138-F142 PolarHBondContact O-N 3.37Å; Y139-F142 PolarHBondContact O-N 2.85Å; F142-L149 HydrophobicContact CB-CD2 4.18Å; F142-L149 HydrophobicContact CD2-CD1 4Å; F142-L186 HydrophobicContact CB-CD1 4.21Å; F142-L186 HydrophobicContact CD2-CD1 3.39Å; F142-L186 HydrophobicContact CE2-CD1 4Å; F142-L186 HydrophobicContact CG-CD1 3.97Å; F142-I189 HydrophobicContact CD1-CD1 4.29Å; F142-I189 HydrophobicContact CE1-CD1 3.67Å; F142-I189 HydrophobicContact CE1-CG1 4.45Å; F142-I189 HydrophobicContact CE2-CD1 4.03Å; F142-I189 HydrophobicContact CE2-CG1 3.98Å; F142-I189 HydrophobicContact CZ-CD1 3.52Å; F142-I189 HydrophobicContact CZ-CG1 3.8Å; F142-I223 HydrophobicContact CD1-CD1 4.37Å; F142-I223 HydrophobicContact CE1-CD1 3.79Å
143K94.1Very high96.2Very high80 Ų8041.5 Ų41.535%0.34821%0.214SC..Hα-helixtrans-78.5-52.5-176.2-175-178.5177.8168.50113.3Y139 T141Y139-K143 HydrophobicContact CE1-CD 4.19Å; Y139-K143 HydrophobicContact CE2-CD 4.08Å; Y139-K143 VanDerWaalsContact O-CB 3.3Å; Y139-K143 WeakPolarHBondContact O-CB 3.4Å; Y139-K143 PolarHBondContact O-N 3.4Å; Y139-K143 WeakPolarHBondContact OH-CD 3.36Å; Y139-K143 PolarHBondContact OH-NZ 2.95Å; T141-K143 VanDerWaalsContact C-N 3.3Å; T141-K143 PolarHBondContact O-N 3.06Å
144D94.6Very high96.3Very high101 Ų10138.5 Ų38.554%0.5420%0.199SC..Hα-helixtrans-101.9-21.8-165.1-55.4-40.8000112.5T140T140-D144 WeakPolarHBondContact O-CB 3.31Å; T140-D144 PolarHBondContact O-N 3.26Å
145K94.7Very high96.4Very high63 Ų6338.5 Ų38.527%0.27420%0.199SC..  trans-140.954.3-174.8-55.5-174-174.7178.20112.5L101 T141 N147 L148L101-K145 PolarHBondContact O-NZ 3.48Å; T141-K145 WeakPolarHBondContact CG2-O 3.44Å; T141-K145 CarbonylContact O-C 2.86Å; T141-K145 WeakPolarHBondContact O-CA 3.35Å; T141-K145 PolarHBondContact O-N 3.23Å; T141-K145 VanDerWaalsContact O-O 3.08Å; K145-N147 PolarHBondContact O-N 3.05Å; K145-N147 VanDerWaalsContact O-N 3.08Å; K145-N147 PolarHBondContact O-OD1 3.39Å; K145-L148 HydrophobicContact CB-CB 4.37Å; K145-L148 HydrophobicContact CB-CD1 3.93Å; K145-L148 HydrophobicContact CB-CG 4Å; K145-L148 HydrophobicContact CD-CD1 3.6Å; K145-L148 HydrophobicContact CG-CD1 4.37Å; K145-L148 WeakPolarHBondContact O-CB 3.36Å; K145-L148 PolarHBondContact O-N 3.49Å
146P94.4Very high96.6Very high63 Ų6336.1 Ų36.141%0.40919%0.189SC..G310 helixtrans-59.8-27.8-172.223.3-34.5000112.8T141 L148 L149 K192T141-P146 WeakPolarHBondContact O-CA 3.31Å; T141-P146 VanDerWaalsContact O-N 3.1Å; P146-L148 PolarHBondContact O-N 2.83Å; P146-L149 HydrophobicContact CB-CD1 4.29Å; P146-L149 WeakPolarHBondContact O-CB 3.19Å; P146-L149 WeakPolarHBondContact O-CG 3.47Å; P146-L149 PolarHBondContact O-N 3.34Å; P146-K192 WeakPolarHBondContact O-CE 3.34Å; P146-K192 PolarHBondContact O-NZ 2.94Å
147N94Very high96.7Very high84 Ų8434.1 Ų34.145%0.44918%0.175SC..G310 helixtrans-60.5-22.1173.564.3-48.7000113.8N103 K145N103-N147 PolarHBondContact OD1-ND2 3.49Å; K145-N147 PolarHBondContact O-N 3.05Å; K145-N147 VanDerWaalsContact O-N 3.08Å; K145-N147 PolarHBondContact O-OD1 3.39Å
148L96.9Very high96.7Very high5 Ų535.4 Ų35.43%0.02618%0.18CC..G310 helixtrans-91.6-7.5179.8-54.3-171.2000113.9L104 T141 K145 P146 D150 Y151 I152L104-L148 HydrophobicContact CB-CD2 4.12Å; L104-L148 HydrophobicContact CG-CD2 4.43Å; T141-L148 HydrophobicContact CG2-CB 4Å; K145-L148 HydrophobicContact CB-CB 4.37Å; K145-L148 HydrophobicContact CB-CD1 3.93Å; K145-L148 HydrophobicContact CB-CG 4Å; K145-L148 HydrophobicContact CD-CD1 3.6Å; K145-L148 HydrophobicContact CG-CD1 4.37Å; K145-L148 WeakPolarHBondContact O-CB 3.36Å; K145-L148 PolarHBondContact O-N 3.49Å; P146-L148 PolarHBondContact O-N 2.83Å; L148-D150 VanDerWaalsContact C-N 3.27Å; L148-D150 PolarHBondContact O-N 2.89Å; L148-Y151 PolarHBondContact O-N 3.3Å; L148-I152 HydrophobicContact CB-CG1 4.39Å; L148-I152 WeakPolarHBondContact O-CG1 3.43Å; L148-I152 PolarHBondContact O-N 3.31Å
149L97.5Very high96.8Very high2 Ų235.4 Ų35.41%0.0118%0.18CC..Hα-helixtrans-53.3-40.8-175.7-77.6170.1000113.4T141 F142 P146 Y151 I152 I153 L186 K192 V195T141-L149 HydrophobicContact CG2-CD2 3.75Å; T141-L149 HydrophobicContact CG2-CG 4.01Å; F142-L149 HydrophobicContact CB-CD2 4.18Å; F142-L149 HydrophobicContact CD2-CD1 4Å; P146-L149 HydrophobicContact CB-CD1 4.29Å; P146-L149 WeakPolarHBondContact O-CB 3.19Å; P146-L149 WeakPolarHBondContact O-CG 3.47Å; P146-L149 PolarHBondContact O-N 3.34Å; L149-Y151 VanDerWaalsContact C-N 3.27Å; L149-Y151 PolarHBondContact O-N 3.38Å; L149-I152 PolarHBondContact O-N 2.98Å; L149-I153 WeakPolarHBondContact O-CB 3.25Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.35Å; L149-I153 PolarHBondContact O-N 3.22Å; L149-L186 HydrophobicContact CD2-CD1 4.4Å; L149-L186 HydrophobicContact CD2-CD2 4.25Å; L149-K192 HydrophobicContact CB-CD 4.15Å; L149-K192 HydrophobicContact CD1-CD 4.21Å; L149-V195 HydrophobicContact CB-CG2 3.9Å
150D97.8Very high96.8Very high50 Ų5033.8 Ų33.827%0.26717%0.174SC..Hα-helixtrans-56.8-42.8179.6-56.6-87.2000111.7L148 S154 K192 N194L148-D150 VanDerWaalsContact C-N 3.27Å; L148-D150 PolarHBondContact O-N 2.89Å; D150-S154 WeakPolarHBondContact O-CB 3.26Å; D150-S154 PolarHBondContact O-N 3.21Å; D150-S154 VanDerWaalsContact O-N 3.16Å; D150-K192 IonicContact OD2-NZ 3.64Å; D150-K192 PolarHBondContact OD2-NZ 3.45Å; D150-N194 WeakPolarHBondContact OD1-CB 3.31Å
151Y98.3Very high96.8Very high61 Ų6132.7 Ų32.724%0.23916%0.164CC..Hα-helixtrans-75.4-41.4179.4-56.6-66000112.4L104 V106 L148 L149 S154 F155L104-Y151 HydrophobicContact CB-CD2 3.63Å; L104-Y151 HydrophobicContact CB-CE2 3.98Å; L104-Y151 HydrophobicContact CB-CG 4.07Å; L104-Y151 HydrophobicContact CD1-CD2 4.34Å; L104-Y151 HydrophobicContact CD1-CG 4.28Å; L104-Y151 WeakPolarHBondContact O-CE2 3.49Å; V106-Y151 PolarHBondContact N-OH 3.44Å; L148-Y151 PolarHBondContact O-N 3.3Å; L149-Y151 VanDerWaalsContact C-N 3.27Å; L149-Y151 PolarHBondContact O-N 3.38Å; Y151-S154 PolarHBondContact O-N 3.02Å; Y151-F155 WeakPolarHBondContact O-CB 3.37Å; Y151-F155 PolarHBondContact O-N 3.04Å
152I98.2Very high96.8Very high3 Ų332.6 Ų32.62%0.01516%0.163CC..Hα-helixtrans-66.9-40.8-179.1-63.6-52.7000111.2L99 L104 L112 L137 T141 L148 L149 F155 I156L99-I152 HydrophobicContact CD2-CD1 3.44Å; L99-I152 VanDerWaalsContact CD2-CD1 3.44Å; L104-I152 HydrophobicContact CD1-CD1 4.36Å; L112-I152 HydrophobicContact CD2-CD1 4.03Å; L137-I152 HydrophobicContact CD1-CD1 4.45Å; L137-I152 HydrophobicContact CD1-CG2 4.34Å; L137-I152 HydrophobicContact CD2-CG2 4.09Å; L137-I152 HydrophobicContact CG-CG2 3.88Å; T141-I152 HydrophobicContact CG2-CB 4.09Å; T141-I152 HydrophobicContact CG2-CG1 3.64Å; T141-I152 HydrophobicContact CG2-CG2 4.47Å; L148-I152 HydrophobicContact CB-CG1 4.39Å; L148-I152 WeakPolarHBondContact O-CG1 3.43Å; L148-I152 PolarHBondContact O-N 3.31Å; L149-I152 PolarHBondContact O-N 2.98Å; I152-F155 WeakPolarHBondContact O-CB 3.45Å; I152-F155 PolarHBondContact O-N 2.89Å; I152-I156 HydrophobicContact CG2-CD1 3.77Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.4Å; I152-I156 PolarHBondContact O-N 3.32Å
153I98.3Very high96.7Very high5 Ų530.8 Ų30.83%0.02616%0.155CC..Hα-helixtrans-72.2-37.7177.9-64.2-63.1000111.3I138 L149 F155 I156 S157 L186 V195 E198 I199I138-I153 HydrophobicContact CG1-CD1 4.44Å; L149-I153 WeakPolarHBondContact O-CB 3.25Å; L149-I153 VanDerWaalsContact O-CG1 3.31Å; L149-I153 WeakPolarHBondContact O-CG1 3.35Å; L149-I153 PolarHBondContact O-N 3.22Å; I153-F155 VanDerWaalsContact C-N 3.29Å; I153-F155 PolarHBondContact O-N 3.43Å; I153-I156 HydrophobicContact CD1-CD1 4.35Å; I153-I156 PolarHBondContact O-N 3.42Å; I153-S157 WeakPolarHBondContact O-CB 3.39Å; I153-S157 PolarHBondContact O-N 2.99Å; I153-L186 HydrophobicContact CD1-CD2 3.39Å; I153-L186 HydrophobicContact CG1-CD2 3.81Å; I153-V195 HydrophobicContact CB-CG1 4.39Å; I153-V195 HydrophobicContact CG1-CG1 3.92Å; I153-V195 HydrophobicContact CG2-CG1 4.31Å; I153-E198 HydrophobicContact CG2-CB 4.32Å; I153-E198 HydrophobicContact CG2-CG 4.04Å; I153-I199 HydrophobicContact CG2-CD1 4.42Å; I153-I199 HydrophobicContact CG2-CG1 3.86Å
154S98.3Very high96.6Very high22 Ų2231.1 Ų31.115%0.15416%0.157CC..Hα-helixtrans-62.8-37.4172.6-156.10000112.4K113 D150 Y151 E158K113-S154 WeakPolarHBondContact CD-OG 3.43Å; K113-S154 PolarHBondContact NZ-OG 3.06Å; D150-S154 WeakPolarHBondContact O-CB 3.26Å; D150-S154 PolarHBondContact O-N 3.21Å; D150-S154 VanDerWaalsContact O-N 3.16Å; Y151-S154 PolarHBondContact O-N 3.02Å; S154-E158 PolarHBondContact O-N 3.03Å; S154-E158 VanDerWaalsContact O-N 3.09Å
155F98.6Very high96.5Very high0 Ų033 Ų330%016%0.157CC..Hα-helixtrans-63.2-50.1172.9161-107.4000112.9I95 L99 L112 G116 L132 L137 Y151 I152 I153 S157 E158 L159I95-F155 HydrophobicContact CD1-CE2 4.31Å; I95-F155 HydrophobicContact CG2-CE2 4.01Å; I95-F155 HydrophobicContact CG2-CZ 3.81Å; L99-F155 HydrophobicContact CD1-CE1 4.45Å; L99-F155 HydrophobicContact CD2-CD1 4.39Å; L99-F155 HydrophobicContact CD2-CE1 4.37Å; L112-F155 HydrophobicContact CD1-CD2 3.82Å; L112-F155 HydrophobicContact CD1-CE2 4.07Å; L112-F155 HydrophobicContact CD1-CG 4.16Å; L112-F155 HydrophobicContact CD2-CB 4.02Å; L112-F155 HydrophobicContact CD2-CG 4.22Å; L112-F155 HydrophobicContact CG-CB 3.86Å; L112-F155 HydrophobicContact CG-CD2 3.8Å; L112-F155 HydrophobicContact CG-CG 3.86Å; L112-F155 VanDerWaalsContact O-CD2 3.3Å; L112-F155 WeakPolarHBondContact O-CD2 3.26Å; G116-F155 VanDerWaalsContact CA-CD2 3.47Å; L132-F155 HydrophobicContact CD2-CE1 3.69Å; L132-F155 HydrophobicContact CD2-CZ 3.71Å; L137-F155 HydrophobicContact CD2-CD1 4.28Å; L137-F155 HydrophobicContact CD2-CE1 3.93Å; Y151-F155 WeakPolarHBondContact O-CB 3.37Å; Y151-F155 PolarHBondContact O-N 3.04Å; I152-F155 WeakPolarHBondContact O-CB 3.45Å; I152-F155 PolarHBondContact O-N 2.89Å; I153-F155 VanDerWaalsContact C-N 3.29Å; I153-F155 PolarHBondContact O-N 3.43Å; F155-S157 VanDerWaalsContact C-N 3.34Å; F155-S157 PolarHBondContact O-N 3.25Å; F155-E158 PolarHBondContact O-N 3.27Å; F155-L159 HydrophobicContact CZ-CD2 4.45Å; F155-L159 WeakPolarHBondContact O-CB 3.42Å; F155-L159 PolarHBondContact O-N 3.48Å
156I98.4Very high96.3Very high1 Ų130.6 Ų30.61%0.00515%0.148CC..Hα-helixtrans-64.2-40.9179.3-68.5162.7000110.8I134 L137 I138 I152 I153 L159 L160 I183I134-I156 HydrophobicContact CG2-CD1 3.94Å; I134-I156 HydrophobicContact CG2-CG1 4.16Å; I134-I156 HydrophobicContact CG2-CG2 4Å; L137-I156 HydrophobicContact CD2-CD1 4.38Å; I138-I156 HydrophobicContact CD1-CD1 4.05Å; I138-I156 HydrophobicContact CG1-CD1 3.55Å; I152-I156 HydrophobicContact CG2-CD1 3.77Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.4Å; I152-I156 PolarHBondContact O-N 3.32Å; I153-I156 HydrophobicContact CD1-CD1 4.35Å; I153-I156 PolarHBondContact O-N 3.42Å; I156-L159 WeakPolarHBondContact O-CB 3.42Å; I156-L159 PolarHBondContact O-N 2.97Å; I156-L160 HydrophobicContact CG2-CD1 3.64Å; I156-L160 HydrophobicContact CG2-CG 4.1Å; I156-L160 WeakPolarHBondContact O-CB 3.47Å; I156-L160 VanDerWaalsContact O-CG 3.26Å; I156-L160 WeakPolarHBondContact O-CG 3.19Å; I156-L160 PolarHBondContact O-N 3.02Å; I156-I183 HydrophobicContact CG2-CD1 3.74Å
157S98.3Very high96.1Very high2 Ų236 Ų361%0.01417%0.165CC..Hα-helixtrans-56.3-53.8175.3171.90000110.8I153 F155 L159 L160 K161 E198I153-S157 WeakPolarHBondContact O-CB 3.39Å; I153-S157 PolarHBondContact O-N 2.99Å; F155-S157 VanDerWaalsContact C-N 3.34Å; F155-S157 PolarHBondContact O-N 3.25Å; S157-L159 VanDerWaalsContact C-N 3.32Å; S157-L159 PolarHBondContact O-N 3.39Å; S157-L160 PolarHBondContact O-N 3Å; S157-K161 WeakPolarHBondContact O-CG 3.25Å; S157-K161 PolarHBondContact O-N 3.11Å; S157-E198 VanDerWaalsContact CB-OE1 3.25Å; S157-E198 WeakPolarHBondContact CB-OE1 3.11Å; S157-E198 PolarHBondContact OG-OE1 3.08Å
158E97.9Very high95.8Very high53 Ų5339.9 Ų39.925%0.24817%0.174CC..Hα-helixtrans-64.6-36.7-178.7-158.861.4-144.700112.9K113 S154 F155 K161 N162K113-E158 WeakPolarHBondContact CE-OE2 3.22Å; K113-E158 HydrophobicContact CG-CB 3.9Å; K113-E158 HydrophobicContact CG-CG 4.09Å; S154-E158 PolarHBondContact O-N 3.03Å; S154-E158 VanDerWaalsContact O-N 3.09Å; F155-E158 PolarHBondContact O-N 3.27Å; E158-K161 IonicContact OE2-NZ 3.06Å; E158-K161 PolarHBondContact OE2-NZ 3.06Å; E158-N162 PolarHBondContact O-ND2 3.35Å
159L97.7Very high95.3Very high0 Ų040.5 Ų40.50%018%0.177CC..Hα-helixtrans-59.3-53.3172176.668.8000111.2G116 L119 M124 L130 L132 I134 F155 I156 S157 K161 N162G116-L159 WeakPolarHBondContact O-CA 3.38Å; G116-L159 VanDerWaalsContact O-CD1 3.3Å; G116-L159 WeakPolarHBondContact O-CD1 3.41Å; L119-L159 HydrophobicContact CB-CD1 4.21Å; L119-L159 HydrophobicContact CD2-CD1 4.24Å; L119-L159 HydrophobicContact CG-CD1 4.16Å; M124-L159 HydrophobicContact SD-CD1 3.99Å; M124-L159 HydrophobicContact SD-CG 3.92Å; L130-L159 HydrophobicContact CD1-CD1 4.33Å; L130-L159 HydrophobicContact CD2-CD2 3.75Å; L132-L159 HydrophobicContact CD2-CD2 4.48Å; I134-L159 HydrophobicContact CD1-CD2 3.8Å; F155-L159 HydrophobicContact CZ-CD2 4.45Å; F155-L159 WeakPolarHBondContact O-CB 3.42Å; F155-L159 PolarHBondContact O-N 3.48Å; I156-L159 WeakPolarHBondContact O-CB 3.42Å; I156-L159 PolarHBondContact O-N 2.97Å; S157-L159 VanDerWaalsContact C-N 3.32Å; S157-L159 PolarHBondContact O-N 3.39Å; L159-K161 VanDerWaalsContact C-N 3.34Å; L159-K161 PolarHBondContact O-N 2.92Å; L159-N162 WeakPolarHBondContact O-CB 3.27Å; L159-N162 PolarHBondContact O-N 3.25Å; L159-N162 PolarHBondContact O-ND2 3.06Å
160L97.1Very high94.8Very high1 Ų145.5 Ų45.51%0.00520%0.199CC..Hα-helixtrans-67.9-26.5-175.5-70.8176.8000113.6M124 I156 S157 N162 I163 W175 I179 L180 I183 L202M124-L160 HydrophobicContact CE-CD2 4.03Å; I156-L160 HydrophobicContact CG2-CD1 3.64Å; I156-L160 HydrophobicContact CG2-CG 4.1Å; I156-L160 WeakPolarHBondContact O-CB 3.47Å; I156-L160 VanDerWaalsContact O-CG 3.26Å; I156-L160 WeakPolarHBondContact O-CG 3.19Å; I156-L160 PolarHBondContact O-N 3.02Å; S157-L160 PolarHBondContact O-N 3Å; L160-N162 PolarHBondContact O-N 2.76Å; L160-I163 HydrophobicContact CD2-CG2 4.49Å; L160-I163 WeakPolarHBondContact O-CB 3.28Å; L160-I163 WeakPolarHBondContact O-CG1 3.25Å; L160-I163 WeakPolarHBondContact O-CG2 3.17Å; L160-I163 PolarHBondContact O-N 3.16Å; L160-W175 HydrophobicContact CD2-CZ3 4.46Å; L160-I179 HydrophobicContact CD1-CG2 3.79Å; L160-I179 HydrophobicContact CD2-CG2 4.43Å; L160-L180 HydrophobicContact CD1-CD2 4.42Å; L160-I183 HydrophobicContact CD1-CD1 3.66Å; L160-L202 HydrophobicContact CB-CD1 4.17Å; L160-L202 HydrophobicContact CB-CD2 4.49Å; L160-L202 HydrophobicContact CD1-CD2 3.93Å
161K96.2Very high94.2Very high40 Ų4046.2 Ų46.217%0.17420%0.202CC..G310 helixtrans-54.1-27.6174.8-74.1176.5-168.6165.20113.2S157 E158 L159 I163 K164 L202 F205S157-K161 WeakPolarHBondContact O-CG 3.25Å; S157-K161 PolarHBondContact O-N 3.11Å; E158-K161 IonicContact OE2-NZ 3.06Å; E158-K161 PolarHBondContact OE2-NZ 3.06Å; L159-K161 VanDerWaalsContact C-N 3.34Å; L159-K161 PolarHBondContact O-N 2.92Å; K161-I163 PolarHBondContact O-N 3.26Å; K161-K164 PolarHBondContact O-N 3.3Å; K161-L202 HydrophobicContact CG-CD1 4.2Å; K161-F205 HydrophobicContact CB-CD1 4.06Å; K161-F205 HydrophobicContact CB-CE1 3.58Å; K161-F205 HydrophobicContact CB-CZ 4.11Å; K161-F205 HydrophobicContact CD-CD1 4.29Å; K161-F205 HydrophobicContact CD-CE1 4.26Å; K161-F205 HydrophobicContact CD-CE2 4.49Å; K161-F205 HydrophobicContact CD-CG 4.42Å; K161-F205 HydrophobicContact CD-CZ 4.35Å; K161-F205 HydrophobicContact CG-CD1 3.58Å; K161-F205 HydrophobicContact CG-CE1 3.6Å; K161-F205 HydrophobicContact CG-CG 4.13Å; K161-F205 HydrophobicContact CG-CZ 4.17Å
162N95.6Very high93.5Very high6 Ų647.4 Ų47.43%0.03222%0.219CC..G310 helixtrans-69.2-12.5179.5-68.5-81.5000114.1G117 G120 R121 M124 E158 L159 L160 K164 Y165G117-N162 PolarHBondContact O-ND2 3.22Å; G120-N162 VanDerWaalsContact C-CB 3.49Å; G120-N162 WeakPolarHBondContact O-CB 3.28Å; R121-N162 PolarHBondContact N-OD1 2.87Å; M124-N162 HydrophobicContact CB-CB 4.34Å; E158-N162 PolarHBondContact O-ND2 3.35Å; L159-N162 WeakPolarHBondContact O-CB 3.27Å; L159-N162 PolarHBondContact O-N 3.25Å; L159-N162 PolarHBondContact O-ND2 3.06Å; L160-N162 PolarHBondContact O-N 2.76Å; N162-K164 PolarHBondContact O-N 3.35Å; N162-K164 VanDerWaalsContact O-N 3.16Å; N162-Y165 PolarHBondContact O-N 2.54Å; N162-Y165 VanDerWaalsContact O-N 3.11Å
163I94.1Very high93.1Very high4 Ų449.1 Ų49.12%0.02123%0.228CC..G310 helixtrans-62.3-23.6178.375.1174000112.2M124 L160 K161 Y165 S166 I169 L171 V176 L206M124-I163 HydrophobicContact CE-CG2 3.3Å; M124-I163 HydrophobicContact SD-CG2 4.39Å; L160-I163 HydrophobicContact CD2-CG2 4.49Å; L160-I163 WeakPolarHBondContact O-CB 3.28Å; L160-I163 WeakPolarHBondContact O-CG1 3.25Å; L160-I163 WeakPolarHBondContact O-CG2 3.17Å; L160-I163 PolarHBondContact O-N 3.16Å; K161-I163 PolarHBondContact O-N 3.26Å; I163-Y165 PolarHBondContact O-N 2.95Å; I163-S166 WeakPolarHBondContact O-CB 3.42Å; I163-S166 PolarHBondContact O-N 3.37Å; I163-I169 VanDerWaalsContact CB-O 3.27Å; I163-I169 WeakPolarHBondContact CB-O 3.35Å; I163-I169 HydrophobicContact CG2-CG2 4.41Å; I163-L171 HydrophobicContact CD1-CD2 3.9Å; I163-L171 HydrophobicContact CD1-CG 4.43Å; I163-V176 HydrophobicContact CD1-CG1 3.72Å; I163-V176 HydrophobicContact CG2-CG2 4.36Å; I163-L206 HydrophobicContact CD1-CD1 3.87Å; I163-L206 HydrophobicContact CD1-CD2 3.62Å; I163-L206 HydrophobicContact CD1-CG 4.33Å; I163-L206 HydrophobicContact CG1-CD2 3.54Å
164K92.1Very high92.8Very high88 Ų8853.2 Ų53.238%0.38326%0.255SS..G310 helixtrans-63.1-26.2176.5-79.6-157.5168.8-173.70113.5K161 N162 F205 L206 E207K161-K164 PolarHBondContact O-N 3.3Å; N162-K164 PolarHBondContact O-N 3.35Å; N162-K164 VanDerWaalsContact O-N 3.16Å; K164-F205 HydrophobicContact CD-CD1 4.46Å; K164-F205 HydrophobicContact CD-CE1 3.88Å; K164-F205 HydrophobicContact CD-CZ 4.34Å; K164-F205 WeakPolarHBondContact CE-O 3.28Å; K164-F205 HydrophobicContact CG-CE1 4.26Å; K164-F205 PolarHBondContact NZ-O 2.64Å; K164-L206 HydrophobicContact CG-CD2 4.34Å; K164-E207 IonicContact NZ-OE1 3.8Å; K164-E207 PolarHBondContact NZ-OE1 3.08Å
165Y91.4Very high92.5Very high141 Ų14155.8 Ų55.855%0.55326%0.262SS*.G310 helixtrans-90.3-13.3-179.5-52.1-65.3000112.6N162 I163N162-Y165 PolarHBondContact O-N 2.54Å; N162-Y165 VanDerWaalsContact O-N 3.11Å; I163-Y165 PolarHBondContact O-N 2.95Å
166S91.9Very high92.2Very high12 Ų1255.9 Ų55.98%0.08426%0.262CS..  trans-77146.9-178.4179.90000112.5M124 D127 I163 R168 I169M124-S166 WeakPolarHBondContact O-CB 3.4Å; M124-S166 PolarHBondContact O-OG 2.94Å; D127-S166 PolarHBondContact OD1-OG 3.31Å; I163-S166 WeakPolarHBondContact O-CB 3.42Å; I163-S166 PolarHBondContact O-N 3.37Å; S166-R168 PolarHBondContact OG-N 3.45Å; S166-I169 VanDerWaalsContact CB-O 3.25Å; S166-I169 WeakPolarHBondContact CB-O 3.33Å; S166-I169 VanDerWaalsContact OG-CA 3.25Å; S166-I169 WeakPolarHBondContact OG-CA 3.28Å; S166-I169 VanDerWaalsContact OG-CB 3.28Å; S166-I169 WeakPolarHBondContact OG-CB 3.46Å; S166-I169 PolarHBondContact OG-N 2.99Å; S166-I169 PolarHBondContact OG-O 3.08Å
167K88.7Confident92Very high177 Ų17758.1 Ų58.177%0.7728%0.276SS*.SBendtrans-87.6-34.2172.5-64.4179.5-178.6175.80111.8D127D127-K167 PolarHBondContact OD1-N 3.39Å
168R87.9Confident91.7Very high165 Ų16561.9 Ų61.962%0.62329%0.293SS*.SBendtrans-111.8-38.5-172.7-63-175.7-67.6-179.410.2113.9D127 S166 K170 N173D127-R168 HydrophobicContact CB-CB 4.2Å; D127-R168 HydrophobicContact CB-CG 4.49Å; D127-R168 VanDerWaalsContact CB-NE 3.3Å; D127-R168 VanDerWaalsContact CB-NH2 3.27Å; D127-R168 PolarHBondContact O-NH2 2.84Å; D127-R168 PolarHBondContact OD1-N 3.5Å; D127-R168 WeakPolarHBondContact OD2-CG 3.41Å; D127-R168 IonicContact OD2-CZ 2.78Å; D127-R168 IonicContact OD2-NE 3.65Å; D127-R168 PolarHBondContact OD2-NE 3.22Å; S166-R168 PolarHBondContact OG-N 3.45Å; R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.47Å; R168-N173 PolarHBondContact O-ND2 3.23Å
169I87.4Confident91.6Very high18 Ų1859.4 Ų59.49%0.09228%0.282CS..SBendtrans-88.968.3177.6-49.3176.3000108.5M124 I163 S166 W175 V176M124-I169 HydrophobicContact CE-CG2 3.83Å; I163-I169 VanDerWaalsContact CB-O 3.27Å; I163-I169 WeakPolarHBondContact CB-O 3.35Å; I163-I169 HydrophobicContact CG2-CG2 4.41Å; S166-I169 VanDerWaalsContact CB-O 3.25Å; S166-I169 WeakPolarHBondContact CB-O 3.33Å; S166-I169 VanDerWaalsContact OG-CA 3.25Å; S166-I169 WeakPolarHBondContact OG-CA 3.28Å; S166-I169 VanDerWaalsContact OG-CB 3.28Å; S166-I169 WeakPolarHBondContact OG-CB 3.46Å; S166-I169 PolarHBondContact OG-N 2.99Å; S166-I169 PolarHBondContact OG-O 3.08Å; I169-W175 HydrophobicContact CG2-CE3 4.39Å; I169-W175 HydrophobicContact CG2-CZ3 4.3Å; I169-V176 HydrophobicContact CG2-CG2 3.63Å
170K86Confident91.5Very high107 Ų10759.7 Ų59.747%0.46528%0.283SS..SBendtrans-117.2-176.4177.263.8-175.3178.7-176.90110.7R168 S172 N173R168-K170 VanDerWaalsContact C-N 3.29Å; R168-K170 PolarHBondContact O-N 3.47Å; K170-S172 WeakPolarHBondContact CE-OG 3.5Å; K170-S172 WeakPolarHBondContact CG-OG 3.39Å; K170-S172 PolarHBondContact O-N 3.02Å; K170-N173 WeakPolarHBondContact O-CB 3.5Å; K170-N173 PolarHBondContact O-N 3.12Å
171L85.6Confident91.4Very high64 Ų6461.8 Ų61.834%0.33529%0.293SS..THydrogen-bonded Turntrans-55.6-24.8-179.2-66.5177.3000114.9I163 N173 V176 T177 L180 L206 C208I163-L171 HydrophobicContact CD1-CD2 3.9Å; I163-L171 HydrophobicContact CD1-CG 4.43Å; L171-N173 PolarHBondContact O-N 3.2Å; L171-V176 HydrophobicContact CD2-CG1 4.4Å; L171-T177 PolarHBondContact O-OG1 2.71Å; L171-T177 VanDerWaalsContact O-OG1 3.11Å; L171-L180 HydrophobicContact CD2-CD1 3.6Å; L171-L206 HydrophobicContact CD2-CB 4.4Å; L171-L206 HydrophobicContact CD2-CD1 4.37Å; L171-C208 HydrophobicContact CD1-CB 4.17Å; L171-C208 HydrophobicContact CD2-CB 4.37Å
172S85Confident91.5Very high86 Ų8660 Ų6060%0.60129%0.285SS*.THydrogen-bonded Turntrans-77-8.7174.667.40000113.8K170K170-S172 WeakPolarHBondContact CE-OG 3.5Å; K170-S172 WeakPolarHBondContact CG-OG 3.39Å; K170-S172 PolarHBondContact O-N 3.02Å
173N89.8Confident91.5Very high39 Ų3959.8 Ų59.821%0.20928%0.284CS..SBendtrans-76.3125.5-178.9-173.9-61.6000109.7R168 K170 L171 W175 V176 T177R168-N173 PolarHBondContact O-ND2 3.23Å; K170-N173 WeakPolarHBondContact O-CB 3.5Å; K170-N173 PolarHBondContact O-N 3.12Å; L171-N173 PolarHBondContact O-N 3.2Å; N173-W175 VanDerWaalsContact C-N 3.26Å; N173-W175 PolarHBondContact O-N 3.32Å; N173-W175 WeakPolarHBondContact OD1-CB 3.31Å; N173-W175 PolarHBondContact OD1-N 3.04Å; N173-V176 HydrophobicContact CB-CB 4.2Å; N173-V176 HydrophobicContact CB-CG2 3.91Å; N173-V176 PolarHBondContact O-N 3.08Å; N173-T177 PolarHBondContact O-N 3.02Å; N173-T177 PolarHBondContact O-OG1 2.87Å
174P91.5Very high91.6Very high91 Ų9160.3 Ų60.359%0.59129%0.286SS*.Hα-helixtrans-54.6-38.9-177.8-27.835.1000114T177 E178P174-T177 PolarHBondContact O-N 3.38Å; P174-E178 WeakPolarHBondContact O-CB 3.21Å; P174-E178 WeakPolarHBondContact O-CG 3.36Å; P174-E178 PolarHBondContact O-N 3.01Å
175W92Very high91.8Very high77 Ų7756.4 Ų56.429%0.29227%0.269SS..Hα-helixtrans-66.4-40.9179.3174.690.9000112.1M124 L130 I134 L160 I169 N173 E178 I179M124-W175 HydrophobicContact CE-CH2 3.84Å; M124-W175 HydrophobicContact CE-CZ3 3.49Å; M124-W175 VanDerWaalsContact CE-CZ3 3.49Å; L130-W175 HydrophobicContact CB-CH2 4.32Å; L130-W175 HydrophobicContact CB-CZ2 4.23Å; L130-W175 HydrophobicContact CD2-CH2 3.96Å; L130-W175 HydrophobicContact CD2-CZ2 3.95Å; I134-W175 HydrophobicContact CD1-CH2 3.79Å; I134-W175 HydrophobicContact CD1-CZ2 3.84Å; L160-W175 HydrophobicContact CD2-CZ3 4.46Å; I169-W175 HydrophobicContact CG2-CE3 4.39Å; I169-W175 HydrophobicContact CG2-CZ3 4.3Å; N173-W175 VanDerWaalsContact C-N 3.26Å; N173-W175 PolarHBondContact O-N 3.32Å; N173-W175 WeakPolarHBondContact OD1-CB 3.31Å; N173-W175 PolarHBondContact OD1-N 3.04Å; W175-E178 PolarHBondContact O-N 3.31Å; W175-I179 HydrophobicContact CD2-CD1 3.56Å; W175-I179 HydrophobicContact CE3-CD1 3.77Å; W175-I179 HydrophobicContact CG-CD1 4.33Å; W175-I179 HydrophobicContact CH2-CD1 3.4Å; W175-I179 HydrophobicContact CZ2-CD1 3.19Å; W175-I179 HydrophobicContact CZ3-CD1 3.66Å; W175-I179 WeakPolarHBondContact O-CG1 3.4Å; W175-I179 PolarHBondContact O-N 3.49Å; W175-I179 VanDerWaalsContact O-N 3.12Å
176V92.8Very high92.1Very high1 Ų149.7 Ų49.71%0.00624%0.243CC..Hα-helixtrans-63.4-48.2175.3174.90000109.7I163 I169 L171 N173 E178 I179 L180I163-V176 HydrophobicContact CD1-CG1 3.72Å; I163-V176 HydrophobicContact CG2-CG2 4.36Å; I169-V176 HydrophobicContact CG2-CG2 3.63Å; L171-V176 HydrophobicContact CD2-CG1 4.4Å; N173-V176 HydrophobicContact CB-CB 4.2Å; N173-V176 HydrophobicContact CB-CG2 3.91Å; N173-V176 PolarHBondContact O-N 3.08Å; V176-E178 PolarHBondContact O-N 3.08Å; V176-I179 PolarHBondContact O-N 3.3Å; V176-L180 HydrophobicContact CG1-CD1 4.02Å; V176-L180 HydrophobicContact CG1-CG 4.36Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 3.26Å
177T92.9Very high92.3Very high48 Ų4850 Ų5029%0.29424%0.243SC..Hα-helixtrans-55-53.3177.1-59.90000110.4L171 N173 P174 I179 L180 Q181L171-T177 PolarHBondContact O-OG1 2.71Å; L171-T177 VanDerWaalsContact O-OG1 3.11Å; N173-T177 PolarHBondContact O-N 3.02Å; N173-T177 PolarHBondContact O-OG1 2.87Å; P174-T177 PolarHBondContact O-N 3.38Å; T177-I179 VanDerWaalsContact C-N 3.27Å; T177-I179 PolarHBondContact O-N 3.07Å; T177-L180 PolarHBondContact O-N 2.94Å; T177-L180 VanDerWaalsContact O-N 3.08Å; T177-Q181 HydrophobicContact CG2-CG 4.23Å; T177-Q181 VanDerWaalsContact O-CG 3.25Å; T177-Q181 WeakPolarHBondContact O-CG 3.43Å; T177-Q181 PolarHBondContact O-N 2.96Å
178E93.2Very high92.6Very high82 Ų8246.7 Ų46.738%0.38323%0.23SC..Hα-helixtrans-54.1-42.4179.2-77.3-179.9-161.800113K135 P174 W175 V176 Q181 V182K135-E178 IonicContact NZ-OE2 3.98Å; K135-E178 PolarHBondContact NZ-OE2 3.47Å; P174-E178 WeakPolarHBondContact O-CB 3.21Å; P174-E178 WeakPolarHBondContact O-CG 3.36Å; P174-E178 PolarHBondContact O-N 3.01Å; W175-E178 PolarHBondContact O-N 3.31Å; V176-E178 PolarHBondContact O-N 3.08Å; E178-Q181 PolarHBondContact O-N 3.17Å; E178-V182 WeakPolarHBondContact O-CG2 3.34Å; E178-V182 PolarHBondContact O-N 2.78Å; E178-V182 VanDerWaalsContact O-N 3.08Å
179I95.6Very high92.9Very high1 Ų142.3 Ų42.31%0.00522%0.219CC..Hα-helixtrans-65-46.4177.3-71.7163.7000111.1I134 K135 L160 W175 V176 T177 Q181 V182 I183I134-I179 HydrophobicContact CB-CD1 4.04Å; I134-I179 HydrophobicContact CB-CG1 4.25Å; I134-I179 HydrophobicContact CD1-CD1 3.74Å; I134-I179 HydrophobicContact CG1-CD1 4.42Å; I134-I179 HydrophobicContact CG2-CD1 4.31Å; I134-I179 HydrophobicContact CG2-CG1 4.2Å; I134-I179 HydrophobicContact CG2-CG2 3.78Å; K135-I179 HydrophobicContact CG-CG1 4.38Å; L160-I179 HydrophobicContact CD1-CG2 3.79Å; L160-I179 HydrophobicContact CD2-CG2 4.43Å; W175-I179 HydrophobicContact CD2-CD1 3.56Å; W175-I179 HydrophobicContact CE3-CD1 3.77Å; W175-I179 HydrophobicContact CG-CD1 4.33Å; W175-I179 HydrophobicContact CH2-CD1 3.4Å; W175-I179 HydrophobicContact CZ2-CD1 3.19Å; W175-I179 HydrophobicContact CZ3-CD1 3.66Å; W175-I179 WeakPolarHBondContact O-CG1 3.4Å; W175-I179 PolarHBondContact O-N 3.49Å; W175-I179 VanDerWaalsContact O-N 3.12Å; V176-I179 PolarHBondContact O-N 3.3Å; T177-I179 VanDerWaalsContact C-N 3.27Å; T177-I179 PolarHBondContact O-N 3.07Å; I179-Q181 VanDerWaalsContact C-N 3.26Å; I179-Q181 PolarHBondContact O-N 3.32Å; I179-V182 PolarHBondContact O-N 2.82Å; I179-V182 VanDerWaalsContact O-N 3.14Å; I179-I183 HydrophobicContact CG2-CD1 3.63Å; I179-I183 HydrophobicContact CG2-CG1 4.23Å; I179-I183 VanDerWaalsContact O-CG1 3.31Å; I179-I183 WeakPolarHBondContact O-CG1 3.31Å; I179-I183 PolarHBondContact O-N 3.07Å
180L95.6Very high93.2Very high5 Ų541.8 Ų41.83%0.02622%0.216CC..Hα-helixtrans-60.8-37.3178.1-67.9177.1000111.7L160 L171 V176 T177 I183 K184 L202 F203 L206L160-L180 HydrophobicContact CD1-CD2 4.42Å; L171-L180 HydrophobicContact CD2-CD1 3.6Å; V176-L180 HydrophobicContact CG1-CD1 4.02Å; V176-L180 HydrophobicContact CG1-CG 4.36Å; V176-L180 WeakPolarHBondContact O-CG 3.38Å; V176-L180 PolarHBondContact O-N 3.26Å; T177-L180 PolarHBondContact O-N 2.94Å; T177-L180 VanDerWaalsContact O-N 3.08Å; L180-I183 PolarHBondContact O-N 3.37Å; L180-K184 WeakPolarHBondContact O-CB 3.41Å; L180-K184 PolarHBondContact O-N 2.74Å; L180-L202 HydrophobicContact CD2-CD2 4.34Å; L180-F203 HydrophobicContact CB-CZ 4.04Å; L180-F203 HydrophobicContact CD2-CE2 4.26Å; L180-F203 HydrophobicContact CD2-CZ 4.29Å; L180-L206 HydrophobicContact CD1-CD1 4.39Å; L180-L206 HydrophobicContact CD2-CD1 3.96Å
181Q95.2Very high93.6Very high45 Ų4543.5 Ų43.521%0.2123%0.23CC..Hα-helixtrans-65.6-39.3175.5-61.6-175.3-25.400112.2T177 E178 I179 K184 E185 K214 T216T177-Q181 HydrophobicContact CG2-CG 4.23Å; T177-Q181 VanDerWaalsContact O-CG 3.25Å; T177-Q181 WeakPolarHBondContact O-CG 3.43Å; T177-Q181 PolarHBondContact O-N 2.96Å; E178-Q181 PolarHBondContact O-N 3.17Å; I179-Q181 VanDerWaalsContact C-N 3.26Å; I179-Q181 PolarHBondContact O-N 3.32Å; Q181-K184 PolarHBondContact O-N 2.89Å; Q181-E185 PolarHBondContact O-N 3.28Å; Q181-K214 WeakPolarHBondContact CB-O 3.3Å; Q181-K214 WeakPolarHBondContact CG-O 3.39Å; Q181-T216 HydrophobicContact CB-CG2 3.98Å
182V96.6Very high94.1Very high2 Ų242.8 Ų42.81%0.01222%0.224CC..Hα-helixtrans-68.3-40.4175.4173.30000111.2K135 I138 E178 I179 K184 E185 L186 T216 Y218 L219K135-V182 HydrophobicContact CD-CG2 3.95Å; K135-V182 HydrophobicContact CG-CG2 4.04Å; I138-V182 HydrophobicContact CB-CG1 4.36Å; I138-V182 HydrophobicContact CD1-CG1 3.95Å; I138-V182 HydrophobicContact CG2-CG1 4.1Å; E178-V182 WeakPolarHBondContact O-CG2 3.34Å; E178-V182 PolarHBondContact O-N 2.78Å; E178-V182 VanDerWaalsContact O-N 3.08Å; I179-V182 PolarHBondContact O-N 2.82Å; I179-V182 VanDerWaalsContact O-N 3.14Å; V182-K184 VanDerWaalsContact C-N 3.33Å; V182-E185 WeakPolarHBondContact O-CB 3.17Å; V182-E185 PolarHBondContact O-N 3.03Å; V182-L186 PolarHBondContact O-N 3.01Å; V182-T216 HydrophobicContact CB-CG2 4.37Å; V182-T216 HydrophobicContact CG2-CG2 3.65Å; V182-Y218 HydrophobicContact CG1-CD1 4.09Å; V182-Y218 HydrophobicContact CG2-CD1 3.91Å; V182-Y218 HydrophobicContact CG2-CG 4.01Å; V182-L219 HydrophobicContact CG1-CD1 4.44Å; V182-L219 HydrophobicContact CG1-CD2 4.08Å; V182-L219 HydrophobicContact CG1-CG 4.19Å
183I96.8Very high94.6Very high2 Ų244.9 Ų44.91%0.0123%0.228CC..Hα-helixtrans-64.5-40.3175.5-67.8171.7000110.3I138 I156 L160 I179 L180 L186 H187 I199 L202 F203I138-I183 HydrophobicContact CD1-CD1 4.46Å; I138-I183 HydrophobicContact CD1-CG1 3.65Å; I156-I183 HydrophobicContact CG2-CD1 3.74Å; L160-I183 HydrophobicContact CD1-CD1 3.66Å; I179-I183 HydrophobicContact CG2-CD1 3.63Å; I179-I183 HydrophobicContact CG2-CG1 4.23Å; I179-I183 VanDerWaalsContact O-CG1 3.31Å; I179-I183 WeakPolarHBondContact O-CG1 3.31Å; I179-I183 PolarHBondContact O-N 3.07Å; L180-I183 PolarHBondContact O-N 3.37Å; I183-L186 WeakPolarHBondContact O-CB 3.24Å; I183-L186 PolarHBondContact O-N 3.48Å; I183-H187 PolarHBondContact O-N 3.37Å; I183-I199 HydrophobicContact CG2-CB 4.09Å; I183-I199 HydrophobicContact CG2-CD1 3.65Å; I183-I199 HydrophobicContact CG2-CG1 3.45Å; I183-I199 VanDerWaalsContact CG2-CG1 3.45Å; I183-I199 HydrophobicContact CG2-CG2 3.6Å; I183-L202 HydrophobicContact CD1-CD2 4.31Å; I183-F203 HydrophobicContact CG2-CE2 4.48Å
184K95.7Very high94.9Very high15 Ų1548.8 Ų48.87%0.06525%0.249CC..Hα-helixtrans-63.9-41173.3-178.6169.9178.2171.40112.3L180 Q181 V182 L186 H187 H188 F203 F210 N211 C213L180-K184 WeakPolarHBondContact O-CB 3.41Å; L180-K184 PolarHBondContact O-N 2.74Å; Q181-K184 PolarHBondContact O-N 2.89Å; V182-K184 VanDerWaalsContact C-N 3.33Å; K184-L186 VanDerWaalsContact C-N 3.31Å; K184-L186 PolarHBondContact O-N 2.6Å; K184-H187 WeakPolarHBondContact O-CB 3.27Å; K184-H187 PolarHBondContact O-N 2.93Å; K184-H188 WeakPolarHBondContact CE-NE2 3.42Å; K184-H188 PolarHBondContact O-CD2 2.92Å; K184-H188 PolarHBondContact O-N 3.47Å; K184-F203 HydrophobicContact CB-CZ 4.22Å; K184-F210 HydrophobicContact CB-CE2 4.44Å; K184-F210 HydrophobicContact CD-CE2 4.41Å; K184-F210 HydrophobicContact CD-CZ 4.47Å; K184-F210 WeakPolarHBondContact CE-O 3.16Å; K184-F210 HydrophobicContact CG-CE2 4.06Å; K184-F210 HydrophobicContact CG-CZ 4.06Å; K184-F210 PolarHBondContact NZ-O 3.39Å; K184-N211 PolarHBondContact NZ-O 3.38Å; K184-C213 HydrophobicContact CD-CB 4.17Å; K184-C213 WeakPolarHBondContact CD-O 3.41Å; K184-C213 WeakPolarHBondContact CE-O 3.38Å; K184-C213 PolarHBondContact NZ-O 2.9Å
185E96.4Very high95.2Very high6 Ų644.5 Ų44.53%0.02822%0.221CC..Hα-helixtrans-58.5-45.5173.1-174.2-177-177.800110.7Q181 V182 H187 H188 I189 S215 T216 Y217 Y218 L219 K220Q181-E185 PolarHBondContact O-N 3.28Å; V182-E185 WeakPolarHBondContact O-CB 3.17Å; V182-E185 PolarHBondContact O-N 3.03Å; E185-H187 VanDerWaalsContact C-N 3.35Å; E185-H187 PolarHBondContact O-N 3.04Å; E185-H188 PolarHBondContact O-N 3.16Å; E185-I189 WeakPolarHBondContact O-CG1 3.4Å; E185-I189 PolarHBondContact O-N 3.4Å; E185-S215 VanDerWaalsContact CA-OG 3.31Å; E185-S215 WeakPolarHBondContact CA-OG 3.32Å; E185-S215 WeakPolarHBondContact CB-OG 3.48Å; E185-S215 PolarHBondContact N-OG 2.75Å; E185-T216 WeakPolarHBondContact CG-O 3.44Å; E185-T216 WeakPolarHBondContact OE2-CG2 3.3Å; E185-Y217 VanDerWaalsContact OE1-CA 3.28Å; E185-Y217 WeakPolarHBondContact OE1-CA 3.36Å; E185-Y218 PolarHBondContact OE1-N 3.48Å; E185-Y218 WeakPolarHBondContact OE2-CA 3.3Å; E185-Y218 PolarHBondContact OE2-N 3.33Å; E185-L219 HydrophobicContact CB-CD1 4.39Å; E185-L219 VanDerWaalsContact CD-N 3.3Å; E185-L219 HydrophobicContact CG-CB 4.32Å; E185-L219 HydrophobicContact CG-CD1 4.25Å; E185-L219 HydrophobicContact CG-CG 4.4Å; E185-L219 WeakPolarHBondContact OE1-CB 3.42Å; E185-L219 PolarHBondContact OE1-N 3.07Å; E185-L219 PolarHBondContact OE2-N 2.76Å; E185-K220 PolarHBondContact OE1-N 3.4Å
186L97.1Very high95.5Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-57.3-46.2176.1178.566.9000111.9I138 F142 L149 I153 V182 I183 K184 H188 I189 T190 V195 I199 L219I138-L186 HydrophobicContact CG2-CB 4.48Å; I138-L186 HydrophobicContact CG2-CD2 4.05Å; F142-L186 HydrophobicContact CB-CD1 4.21Å; F142-L186 HydrophobicContact CD2-CD1 3.39Å; F142-L186 HydrophobicContact CE2-CD1 4Å; F142-L186 HydrophobicContact CG-CD1 3.97Å; L149-L186 HydrophobicContact CD2-CD1 4.4Å; L149-L186 HydrophobicContact CD2-CD2 4.25Å; I153-L186 HydrophobicContact CD1-CD2 3.39Å; I153-L186 HydrophobicContact CG1-CD2 3.81Å; V182-L186 PolarHBondContact O-N 3.01Å; I183-L186 WeakPolarHBondContact O-CB 3.24Å; I183-L186 PolarHBondContact O-N 3.48Å; K184-L186 VanDerWaalsContact C-N 3.31Å; K184-L186 PolarHBondContact O-N 2.6Å; L186-H188 VanDerWaalsContact C-N 3.26Å; L186-H188 PolarHBondContact O-N 2.85Å; L186-I189 PolarHBondContact O-N 3Å; L186-T190 WeakPolarHBondContact O-CB 3.47Å; L186-T190 WeakPolarHBondContact O-CG2 3.43Å; L186-T190 PolarHBondContact O-N 2.93Å; L186-V195 HydrophobicContact CD2-CG1 4Å; L186-V195 HydrophobicContact CG-CG1 4.39Å; L186-I199 HydrophobicContact CD2-CD1 4.37Å; L186-L219 HydrophobicContact CB-CD1 3.88Å; L186-L219 HydrophobicContact CD1-CD1 4.32Å
187H96.6Very high95.8Very high19 Ų1948.3 Ų48.39%0.08824%0.241CC..Hα-helixtrans-52.5-45.4177.6173.7-74.3000111.6I183 K184 E185 Q196 I199 E200 F210I183-H187 PolarHBondContact O-N 3.37Å; K184-H187 WeakPolarHBondContact O-CB 3.27Å; K184-H187 PolarHBondContact O-N 2.93Å; E185-H187 VanDerWaalsContact C-N 3.35Å; E185-H187 PolarHBondContact O-N 3.04Å; H187-Q196 PolarHBondContact CD2-O 3.23Å; H187-Q196 PolarHBondContact O-NE2 2.98Å; H187-I199 HydrophobicContact CB-CD1 3.92Å; H187-I199 HydrophobicContact CB-CG2 4.17Å; H187-E200 IonicContact CD2-OE1 2.93Å; H187-E200 IonicContact CE1-OE1 3.95Å; H187-E200 IonicContact NE2-OE1 2.68Å; H187-E200 PolarHBondContact NE2-OE1 3.45Å; H187-F210 HydrophobicContact CB-CZ 4.14Å; H187-F210 AromaticContact CD2-CZ 3.75Å; H187-F210 AromaticContact CE1-CE1 3.93Å; H187-F210 AromaticContact CE1-CZ 3.72Å; H187-F210 AromaticContact CG-CZ 3.58Å; H187-F210 AromaticContact ND1-CZ 3.55Å; H187-F210 AromaticContact NE2-CZ 3.84Å
188H94.3Very high96Very high107 Ų10747.7 Ų47.750%0.49523%0.234SC..Hα-helixtrans-71.3-30.5-178.5-68.5-38.2000114.6K184 E185 L186K184-H188 WeakPolarHBondContact CE-NE2 3.42Å; K184-H188 PolarHBondContact O-CD2 2.92Å; K184-H188 PolarHBondContact O-N 3.47Å; E185-H188 PolarHBondContact O-N 3.16Å; L186-H188 VanDerWaalsContact C-N 3.26Å; L186-H188 PolarHBondContact O-N 2.85Å
189I93.8Very high96.2Very high74 Ų7443.8 Ų43.838%0.37922%0.216SC..Hα-helixtrans-99.4-17.5-173.769.8178.7000113.7F142 E185 L186 L219F142-I189 HydrophobicContact CD1-CD1 4.29Å; F142-I189 HydrophobicContact CE1-CD1 3.67Å; F142-I189 HydrophobicContact CE1-CG1 4.45Å; F142-I189 HydrophobicContact CE2-CD1 4.03Å; F142-I189 HydrophobicContact CE2-CG1 3.98Å; F142-I189 HydrophobicContact CZ-CD1 3.52Å; F142-I189 HydrophobicContact CZ-CG1 3.8Å; E185-I189 WeakPolarHBondContact O-CG1 3.4Å; E185-I189 PolarHBondContact O-N 3.4Å; L186-I189 PolarHBondContact O-N 3Å; I189-L219 HydrophobicContact CD1-CB 3.96Å; I189-L219 HydrophobicContact CD1-CD1 3.67Å; I189-L219 HydrophobicContact CD1-CG 4.47Å
190T93.9Very high96.3Very high7 Ų748 Ų484%0.04324%0.236CC..  trans-84.9144.8178.8-1660000111.3L186 K192 V195 Q196L186-T190 WeakPolarHBondContact O-CB 3.47Å; L186-T190 WeakPolarHBondContact O-CG2 3.43Å; L186-T190 PolarHBondContact O-N 2.93Å; T190-K192 VanDerWaalsContact C-N 3.35Å; T190-K192 PolarHBondContact OG1-N 3.21Å; T190-V195 HydrophobicContact CG2-CB 4.36Å; T190-V195 HydrophobicContact CG2-CG1 4.09Å; T190-Q196 HydrophobicContact CG2-CG 3.9Å; T190-Q196 PolarHBondContact O-NE2 3.5Å
191D94.5Very high96.4Very high143 Ų14351.2 Ų51.277%0.76525%0.253SS*.  trans-88.6-3.5170.261.1-20.4000112.6L193D191-L193 PolarHBondContact O-N 3.26Å
192K95.8Very high96.5Very high48 Ų4849.2 Ų49.221%0.20924%0.244CC..  trans-8199.8-178-70.1-168159.5-1560112.4P146 L149 D150 T190 N194 V195 Q196P146-K192 WeakPolarHBondContact O-CE 3.34Å; P146-K192 PolarHBondContact O-NZ 2.94Å; L149-K192 HydrophobicContact CB-CD 4.15Å; L149-K192 HydrophobicContact CD1-CD 4.21Å; D150-K192 IonicContact OD2-NZ 3.64Å; D150-K192 PolarHBondContact OD2-NZ 3.45Å; T190-K192 VanDerWaalsContact C-N 3.35Å; T190-K192 PolarHBondContact OG1-N 3.21Å; K192-N194 VanDerWaalsContact C-N 3.31Å; K192-N194 PolarHBondContact O-N 3.12Å; K192-V195 HydrophobicContact CB-CB 3.94Å; K192-V195 HydrophobicContact CB-CG2 3.79Å; K192-V195 HydrophobicContact CD-CG2 4.05Å; K192-V195 WeakPolarHBondContact O-CB 3.25Å; K192-V195 PolarHBondContact O-N 3.18Å; K192-Q196 PolarHBondContact O-N 3.31Å
193L97Very high96.5Very high130 Ų13049.2 Ų49.268%0.68124%0.243SC*.Hα-helixtrans-54.8-40.6178.5-62.3179.1000114D191 V195 Q196 F197D191-L193 PolarHBondContact O-N 3.26Å; L193-V195 VanDerWaalsContact C-N 3.29Å; L193-V195 PolarHBondContact O-N 3.22Å; L193-Q196 PolarHBondContact O-N 3.29Å; L193-F197 WeakPolarHBondContact O-CB 3.33Å; L193-F197 PolarHBondContact O-N 2.95Å
194N96.2Very high96.5Very high121 Ų12155 Ų5565%0.64727%0.274SS*.Hα-helixtrans-63.3-36.9178.3-70.5-23.3000112.3D150 K192 E198D150-N194 WeakPolarHBondContact OD1-CB 3.31Å; K192-N194 VanDerWaalsContact C-N 3.31Å; K192-N194 PolarHBondContact O-N 3.12Å; N194-E198 WeakPolarHBondContact O-CB 3.39Å; N194-E198 PolarHBondContact O-N 3.47Å
195V97.8Very high96.5Very high1 Ų157.9 Ų57.91%0.00629%0.287CS..Hα-helixtrans-67.6-46.9176170.80000109.8L149 I153 L186 T190 K192 L193 F197 E198 I199L149-V195 HydrophobicContact CB-CG2 3.9Å; I153-V195 HydrophobicContact CB-CG1 4.39Å; I153-V195 HydrophobicContact CG1-CG1 3.92Å; I153-V195 HydrophobicContact CG2-CG1 4.31Å; L186-V195 HydrophobicContact CD2-CG1 4Å; L186-V195 HydrophobicContact CG-CG1 4.39Å; T190-V195 HydrophobicContact CG2-CB 4.36Å; T190-V195 HydrophobicContact CG2-CG1 4.09Å; K192-V195 HydrophobicContact CB-CB 3.94Å; K192-V195 HydrophobicContact CB-CG2 3.79Å; K192-V195 HydrophobicContact CD-CG2 4.05Å; K192-V195 WeakPolarHBondContact O-CB 3.25Å; K192-V195 PolarHBondContact O-N 3.18Å; L193-V195 VanDerWaalsContact C-N 3.29Å; L193-V195 PolarHBondContact O-N 3.22Å; V195-F197 VanDerWaalsContact C-N 3.33Å; V195-F197 PolarHBondContact O-N 3.37Å; V195-E198 PolarHBondContact O-N 3.39Å; V195-I199 HydrophobicContact CG1-CD1 3.79Å; V195-I199 WeakPolarHBondContact O-CD1 3.07Å; V195-I199 WeakPolarHBondContact O-CG1 3.32Å; V195-I199 PolarHBondContact O-N 3.35Å
196Q98.1Very high96.4Very high42 Ų4257.9 Ų57.920%0.19629%0.287CS..Hα-helixtrans-57.1-47.1176.6-70.7175.7-20.200111.7H187 T190 K192 L193 I199 E200H187-Q196 PolarHBondContact CD2-O 3.23Å; H187-Q196 PolarHBondContact O-NE2 2.98Å; T190-Q196 HydrophobicContact CG2-CG 3.9Å; T190-Q196 PolarHBondContact O-NE2 3.5Å; K192-Q196 PolarHBondContact O-N 3.31Å; L193-Q196 PolarHBondContact O-N 3.29Å; Q196-I199 WeakPolarHBondContact O-CB 3.18Å; Q196-I199 PolarHBondContact O-N 3.43Å; Q196-E200 WeakPolarHBondContact O-CG 3.43Å; Q196-E200 PolarHBondContact O-N 3.26Å
197F97.9Very high96.2Very high117 Ų11765.3 Ų65.351%0.51332%0.322SS..Hα-helixtrans-63.5-45.1179.4-179.5-105.9000113.1L193 V195 I199 E200 L201L193-F197 WeakPolarHBondContact O-CB 3.33Å; L193-F197 PolarHBondContact O-N 2.95Å; V195-F197 VanDerWaalsContact C-N 3.33Å; V195-F197 PolarHBondContact O-N 3.37Å; F197-I199 PolarHBondContact O-N 3.41Å; F197-E200 PolarHBondContact O-N 3.46Å; F197-L201 HydrophobicContact CD1-CD1 3.88Å; F197-L201 HydrophobicContact CD1-CG 4.29Å; F197-L201 HydrophobicContact CE1-CD1 3.33Å; F197-L201 HydrophobicContact CE1-CD2 4.48Å; F197-L201 HydrophobicContact CE1-CG 3.91Å; F197-L201 HydrophobicContact CE2-CD2 4.42Å; F197-L201 HydrophobicContact CE2-CG 4.33Å; F197-L201 HydrophobicContact CZ-CD1 3.74Å; F197-L201 HydrophobicContact CZ-CD2 4.04Å; F197-L201 HydrophobicContact CZ-CG 3.92Å; F197-L201 WeakPolarHBondContact O-CG 3.19Å; F197-L201 PolarHBondContact O-N 2.85Å
198E97.9Very high95.9Very high34 Ų3465.8 Ų65.816%0.15933%0.327CS..Hα-helixtrans-61.6-35.8176.6-178.671.7-152.100111.5I153 S157 N194 V195 L201 L202I153-E198 HydrophobicContact CG2-CB 4.32Å; I153-E198 HydrophobicContact CG2-CG 4.04Å; S157-E198 VanDerWaalsContact CB-OE1 3.25Å; S157-E198 WeakPolarHBondContact CB-OE1 3.11Å; S157-E198 PolarHBondContact OG-OE1 3.08Å; N194-E198 WeakPolarHBondContact O-CB 3.39Å; N194-E198 PolarHBondContact O-N 3.47Å; V195-E198 PolarHBondContact O-N 3.39Å; E198-L201 PolarHBondContact O-N 2.88Å; E198-L202 PolarHBondContact O-N 3.14Å
199I98.2Very high95.5Very high1 Ų164.2 Ų64.21%0.00532%0.322CS..Hα-helixtrans-65.1-49175.2-68.6169.2000110.5I153 I183 L186 H187 V195 Q196 F197 L201 L202 F203 F210I153-I199 HydrophobicContact CG2-CD1 4.42Å; I153-I199 HydrophobicContact CG2-CG1 3.86Å; I183-I199 HydrophobicContact CG2-CB 4.09Å; I183-I199 HydrophobicContact CG2-CD1 3.65Å; I183-I199 HydrophobicContact CG2-CG1 3.45Å; I183-I199 VanDerWaalsContact CG2-CG1 3.45Å; I183-I199 HydrophobicContact CG2-CG2 3.6Å; L186-I199 HydrophobicContact CD2-CD1 4.37Å; H187-I199 HydrophobicContact CB-CD1 3.92Å; H187-I199 HydrophobicContact CB-CG2 4.17Å; V195-I199 HydrophobicContact CG1-CD1 3.79Å; V195-I199 WeakPolarHBondContact O-CD1 3.07Å; V195-I199 WeakPolarHBondContact O-CG1 3.32Å; V195-I199 PolarHBondContact O-N 3.35Å; Q196-I199 WeakPolarHBondContact O-CB 3.18Å; Q196-I199 PolarHBondContact O-N 3.43Å; F197-I199 PolarHBondContact O-N 3.41Å; I199-L201 VanDerWaalsContact C-N 3.29Å; I199-L201 PolarHBondContact O-N 2.87Å; I199-L202 WeakPolarHBondContact O-CB 3.22Å; I199-L202 PolarHBondContact O-N 2.91Å; I199-L202 VanDerWaalsContact O-N 3.08Å; I199-F203 HydrophobicContact CG2-CD2 3.89Å; I199-F203 HydrophobicContact CG2-CE2 3.86Å; I199-F203 WeakPolarHBondContact O-CD2 3.36Å; I199-F203 PolarHBondContact O-N 3.08Å; I199-F210 HydrophobicContact CG2-CE2 3.95Å
200E97.4Very high95.2Very high88 Ų8862.3 Ų62.341%0.41131%0.311SS..Hα-helixtrans-59-41.8177.3-71.1169.6-164.600111.7H187 Q196 F197 L202 F203 N204H187-E200 IonicContact CD2-OE1 2.93Å; H187-E200 IonicContact CE1-OE1 3.95Å; H187-E200 IonicContact NE2-OE1 2.68Å; H187-E200 PolarHBondContact NE2-OE1 3.45Å; Q196-E200 WeakPolarHBondContact O-CG 3.43Å; Q196-E200 PolarHBondContact O-N 3.26Å; F197-E200 PolarHBondContact O-N 3.46Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 2.97Å; E200-F203 PolarHBondContact O-N 3.23Å; E200-N204 WeakPolarHBondContact O-CB 3.4Å; E200-N204 PolarHBondContact O-N 3.21Å
201L97.4Very high94.8Very high74 Ų7468.3 Ų68.339%0.38734%0.343SS..Hα-helixtrans-61.2-39.9173.9-74.5-176.4000112.6F197 E198 I199 F205F197-L201 HydrophobicContact CD1-CD1 3.88Å; F197-L201 HydrophobicContact CD1-CG 4.29Å; F197-L201 HydrophobicContact CE1-CD1 3.33Å; F197-L201 HydrophobicContact CE1-CD2 4.48Å; F197-L201 HydrophobicContact CE1-CG 3.91Å; F197-L201 HydrophobicContact CE2-CD2 4.42Å; F197-L201 HydrophobicContact CE2-CG 4.33Å; F197-L201 HydrophobicContact CZ-CD1 3.74Å; F197-L201 HydrophobicContact CZ-CD2 4.04Å; F197-L201 HydrophobicContact CZ-CG 3.92Å; F197-L201 WeakPolarHBondContact O-CG 3.19Å; F197-L201 PolarHBondContact O-N 2.85Å; E198-L201 PolarHBondContact O-N 2.88Å; I199-L201 VanDerWaalsContact C-N 3.29Å; I199-L201 PolarHBondContact O-N 2.87Å; L201-F205 VanDerWaalsContact O-CB 3.28Å; L201-F205 WeakPolarHBondContact O-CB 3.5Å; L201-F205 PolarHBondContact O-N 3.34Å
202L97.5Very high94.3Very high3 Ų369 Ų692%0.01634%0.342CS..Hα-helixtrans-62.7-48.4175.4174.365.4000110.9L160 K161 L180 I183 E198 I199 E200 N204 F205 L206L160-L202 HydrophobicContact CB-CD1 4.17Å; L160-L202 HydrophobicContact CB-CD2 4.49Å; L160-L202 HydrophobicContact CD1-CD2 3.93Å; K161-L202 HydrophobicContact CG-CD1 4.2Å; L180-L202 HydrophobicContact CD2-CD2 4.34Å; I183-L202 HydrophobicContact CD1-CD2 4.31Å; E198-L202 PolarHBondContact O-N 3.14Å; I199-L202 WeakPolarHBondContact O-CB 3.22Å; I199-L202 PolarHBondContact O-N 2.91Å; I199-L202 VanDerWaalsContact O-N 3.08Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 2.97Å; L202-N204 PolarHBondContact O-N 2.96Å; L202-F205 PolarHBondContact O-N 2.69Å; L202-L206 HydrophobicContact CD1-CD1 3.84Å; L202-L206 HydrophobicContact CD1-CG 3.99Å; L202-L206 HydrophobicContact CG-CD1 4Å; L202-L206 HydrophobicContact CG-CG 4.43Å; L202-L206 WeakPolarHBondContact O-CB 3.45Å; L202-L206 VanDerWaalsContact O-CG 3.28Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.38Å
203F96.7Very high93.6Very high1 Ų167.6 Ų67.60%0.00434%0.338CS..Hα-helixtrans-60.5-45.6179.4-89-102.8000111.8L180 I183 K184 I199 E200 L206 E207 C208 F210 C213L180-F203 HydrophobicContact CB-CZ 4.04Å; L180-F203 HydrophobicContact CD2-CE2 4.26Å; L180-F203 HydrophobicContact CD2-CZ 4.29Å; I183-F203 HydrophobicContact CG2-CE2 4.48Å; K184-F203 HydrophobicContact CB-CZ 4.22Å; I199-F203 HydrophobicContact CG2-CD2 3.89Å; I199-F203 HydrophobicContact CG2-CE2 3.86Å; I199-F203 WeakPolarHBondContact O-CD2 3.36Å; I199-F203 PolarHBondContact O-N 3.08Å; E200-F203 PolarHBondContact O-N 3.23Å; F203-L206 CarbonylContact O-C 3.49Å; F203-L206 PolarHBondContact O-N 2.99Å; F203-E207 PolarHBondContact O-N 3.07Å; F203-E207 VanDerWaalsContact O-N 3.12Å; F203-C208 HydrophobicContact CD1-CB 4.02Å; F203-C208 PolarHBondContact O-N 3.19Å; F203-F210 HydrophobicContact CB-CB 4.27Å; F203-F210 HydrophobicContact CB-CD2 4.18Å; F203-F210 HydrophobicContact CD1-CB 4.13Å; F203-F210 AromaticContact CD1-CD2 3.81Å; F203-F210 HydrophobicContact CD1-CD2 3.81Å; F203-F210 HydrophobicContact CD1-CG 4.47Å; F203-F210 AromaticContact CD2-CD2 3.76Å; F203-F210 HydrophobicContact CD2-CD2 3.76Å; F203-F210 HydrophobicContact CD2-CE2 4.22Å; F203-F210 HydrophobicContact CE1-CD2 4.05Å; F203-F210 AromaticContact CE2-CD2 3.99Å; F203-F210 HydrophobicContact CE2-CD2 3.99Å; F203-F210 HydrophobicContact CE2-CE2 4.15Å; F203-F210 HydrophobicContact CG-CB 4.32Å; F203-F210 AromaticContact CG-CD2 3.65Å; F203-F210 HydrophobicContact CG-CD2 3.65Å; F203-F210 HydrophobicContact CG-CG 4.49Å; F203-F210 HydrophobicContact CZ-CD2 4.13Å; F203-F210 HydrophobicContact CZ-CE2 4.41Å; F203-C213 HydrophobicContact CE1-CB 3.66Å; F203-C213 HydrophobicContact CZ-CB 4.42Å
204N96.1Very high93Very high123 Ų12369 Ų6966%0.65834%0.338SS*.Hα-helixtrans-61.3-45.7174.6-176.340.5000111.6E200 L202 L206 E207E200-N204 WeakPolarHBondContact O-CB 3.4Å; E200-N204 PolarHBondContact O-N 3.21Å; L202-N204 PolarHBondContact O-N 2.96Å; N204-L206 VanDerWaalsContact C-N 3.25Å; N204-L206 PolarHBondContact O-N 3.44Å; N204-E207 PolarHBondContact O-N 3.26Å
205F95.7Very high92.3Very high76 Ų7665.3 Ų65.333%0.33332%0.322SS..Hα-helixtrans-57.7-42.1175.8179.6-87.1000110.8K161 K164 L201 L202 E207K161-F205 HydrophobicContact CB-CD1 4.06Å; K161-F205 HydrophobicContact CB-CE1 3.58Å; K161-F205 HydrophobicContact CB-CZ 4.11Å; K161-F205 HydrophobicContact CD-CD1 4.29Å; K161-F205 HydrophobicContact CD-CE1 4.26Å; K161-F205 HydrophobicContact CD-CE2 4.49Å; K161-F205 HydrophobicContact CD-CG 4.42Å; K161-F205 HydrophobicContact CD-CZ 4.35Å; K161-F205 HydrophobicContact CG-CD1 3.58Å; K161-F205 HydrophobicContact CG-CE1 3.6Å; K161-F205 HydrophobicContact CG-CG 4.13Å; K161-F205 HydrophobicContact CG-CZ 4.17Å; K164-F205 HydrophobicContact CD-CD1 4.46Å; K164-F205 HydrophobicContact CD-CE1 3.88Å; K164-F205 HydrophobicContact CD-CZ 4.34Å; K164-F205 WeakPolarHBondContact CE-O 3.28Å; K164-F205 HydrophobicContact CG-CE1 4.26Å; K164-F205 PolarHBondContact NZ-O 2.64Å; L201-F205 VanDerWaalsContact O-CB 3.28Å; L201-F205 WeakPolarHBondContact O-CB 3.5Å; L201-F205 PolarHBondContact O-N 3.34Å; L202-F205 PolarHBondContact O-N 2.69Å; F205-E207 PolarHBondContact O-N 3.11Å
206L94.5Very high91.7Very high7 Ų766.8 Ų66.84%0.03733%0.331CS..THydrogen-bonded Turntrans-76.1-2.9179.7-66.1179.5000114.2I163 K164 L171 L180 L202 F203 N204 C208I163-L206 HydrophobicContact CD1-CD1 3.87Å; I163-L206 HydrophobicContact CD1-CD2 3.62Å; I163-L206 HydrophobicContact CD1-CG 4.33Å; I163-L206 HydrophobicContact CG1-CD2 3.54Å; K164-L206 HydrophobicContact CG-CD2 4.34Å; L171-L206 HydrophobicContact CD2-CB 4.4Å; L171-L206 HydrophobicContact CD2-CD1 4.37Å; L180-L206 HydrophobicContact CD1-CD1 4.39Å; L180-L206 HydrophobicContact CD2-CD1 3.96Å; L202-L206 HydrophobicContact CD1-CD1 3.84Å; L202-L206 HydrophobicContact CD1-CG 3.99Å; L202-L206 HydrophobicContact CG-CD1 4Å; L202-L206 HydrophobicContact CG-CG 4.43Å; L202-L206 WeakPolarHBondContact O-CB 3.45Å; L202-L206 VanDerWaalsContact O-CG 3.28Å; L202-L206 WeakPolarHBondContact O-CG 3.46Å; L202-L206 PolarHBondContact O-N 3.38Å; F203-L206 CarbonylContact O-C 3.49Å; F203-L206 PolarHBondContact O-N 2.99Å; N204-L206 VanDerWaalsContact C-N 3.25Å; N204-L206 PolarHBondContact O-N 3.44Å; L206-C208 HydrophobicContact CB-CB 4.38Å; L206-C208 PolarHBondContact O-N 3.32Å
207E92.8Very high91.1Very high156 Ų15671.7 Ų71.773%0.72935%0.349SS*.THydrogen-bonded Turntrans55.635.1-173.6-61.2160.8-142.700111.8K164 F203 N204 F205K164-E207 IonicContact NZ-OE1 3.8Å; K164-E207 PolarHBondContact NZ-OE1 3.08Å; F203-E207 PolarHBondContact O-N 3.07Å; F203-E207 VanDerWaalsContact O-N 3.12Å; N204-E207 PolarHBondContact O-N 3.26Å; F205-E207 PolarHBondContact O-N 3.11Å
208C89.7Confident90.6Very high29 Ų2968.8 Ų68.820%0.19634%0.335CS..  trans-103.2124.7176.4-176.60000108.9L171 F203 L206 F210L171-C208 HydrophobicContact CD1-CB 4.17Å; L171-C208 HydrophobicContact CD2-CB 4.37Å; F203-C208 HydrophobicContact CD1-CB 4.02Å; F203-C208 PolarHBondContact O-N 3.19Å; L206-C208 HydrophobicContact CB-CB 4.38Å; L206-C208 PolarHBondContact O-N 3.32Å; C208-F210 PolarHBondContact O-N 2.71Å
209D87.3Confident90.1Very high74 Ų7467.1 Ų67.140%0.39633%0.327SS..  trans-64.7113.6175.1-171.1-28.6000109.7N211 E212 C213D209-N211 PolarHBondContact O-N 2.95Å; D209-N211 WeakPolarHBondContact OD1-CA 3.38Å; D209-N211 WeakPolarHBondContact OD1-CB 3.37Å; D209-N211 PolarHBondContact OD1-N 3.39Å; D209-E212 HydrophobicContact CB-CB 3.99Å; D209-E212 HydrophobicContact CB-CG 3.94Å; D209-E212 PolarHBondContact O-N 3.2Å; D209-E212 PolarHBondContact OD1-N 3.02Å; D209-C213 PolarHBondContact O-N 3.46Å; D209-C213 VanDerWaalsContact O-N 3.08Å
210F86.8Confident89.4Confident34 Ų3472.1 Ų72.115%0.14935%0.349CS..THydrogen-bonded Turntrans-59.5-35.3179.3-176.6-100.5000111.8K184 H187 I199 F203 C208K184-F210 HydrophobicContact CB-CE2 4.44Å; K184-F210 HydrophobicContact CD-CE2 4.41Å; K184-F210 HydrophobicContact CD-CZ 4.47Å; K184-F210 WeakPolarHBondContact CE-O 3.16Å; K184-F210 HydrophobicContact CG-CE2 4.06Å; K184-F210 HydrophobicContact CG-CZ 4.06Å; K184-F210 PolarHBondContact NZ-O 3.39Å; H187-F210 HydrophobicContact CB-CZ 4.14Å; H187-F210 AromaticContact CD2-CZ 3.75Å; H187-F210 AromaticContact CE1-CE1 3.93Å; H187-F210 AromaticContact CE1-CZ 3.72Å; H187-F210 AromaticContact CG-CZ 3.58Å; H187-F210 AromaticContact ND1-CZ 3.55Å; H187-F210 AromaticContact NE2-CZ 3.84Å; I199-F210 HydrophobicContact CG2-CE2 3.95Å; F203-F210 HydrophobicContact CB-CB 4.27Å; F203-F210 HydrophobicContact CB-CD2 4.18Å; F203-F210 HydrophobicContact CD1-CB 4.13Å; F203-F210 AromaticContact CD1-CD2 3.81Å; F203-F210 HydrophobicContact CD1-CD2 3.81Å; F203-F210 HydrophobicContact CD1-CG 4.47Å; F203-F210 AromaticContact CD2-CD2 3.76Å; F203-F210 HydrophobicContact CD2-CD2 3.76Å; F203-F210 HydrophobicContact CD2-CE2 4.22Å; F203-F210 HydrophobicContact CE1-CD2 4.05Å; F203-F210 AromaticContact CE2-CD2 3.99Å; F203-F210 HydrophobicContact CE2-CD2 3.99Å; F203-F210 HydrophobicContact CE2-CE2 4.15Å; F203-F210 HydrophobicContact CG-CB 4.32Å; F203-F210 AromaticContact CG-CD2 3.65Å; F203-F210 HydrophobicContact CG-CD2 3.65Å; F203-F210 HydrophobicContact CG-CG 4.49Å; F203-F210 HydrophobicContact CZ-CD2 4.13Å; F203-F210 HydrophobicContact CZ-CE2 4.41Å; C208-F210 PolarHBondContact O-N 2.71Å
211N85.7Confident88.8Confident132 Ų13275 Ų7571%0.70636%0.356SS*.THydrogen-bonded Turntrans-75.5-40.5-178.5-62-48.8000112K184 D209K184-N211 PolarHBondContact NZ-O 3.38Å; D209-N211 PolarHBondContact O-N 2.95Å; D209-N211 WeakPolarHBondContact OD1-CA 3.38Å; D209-N211 WeakPolarHBondContact OD1-CB 3.37Å; D209-N211 PolarHBondContact OD1-N 3.39Å
212E83.3Confident88.1Confident158 Ų15872.9 Ų72.974%0.73835%0.347SS*.THydrogen-bonded Turntrans-72.9-27.9179-64.3-173.315900113.1D209 K214D209-E212 HydrophobicContact CB-CB 3.99Å; D209-E212 HydrophobicContact CB-CG 3.94Å; D209-E212 PolarHBondContact O-N 3.2Å; D209-E212 PolarHBondContact OD1-N 3.02Å; E212-K214 PolarHBondContact O-N 2.87Å
213C82.1Confident87.3Confident18 Ų1876.4 Ų76.412%0.12237%0.365CS..SBendtrans-60.5124.2176.9-171.70000110.4K184 F203 D209K184-C213 HydrophobicContact CD-CB 4.17Å; K184-C213 WeakPolarHBondContact CD-O 3.41Å; K184-C213 WeakPolarHBondContact CE-O 3.38Å; K184-C213 PolarHBondContact NZ-O 2.9Å; F203-C213 HydrophobicContact CE1-CB 3.66Å; F203-C213 HydrophobicContact CZ-CB 4.42Å; D209-C213 PolarHBondContact O-N 3.46Å; D209-C213 VanDerWaalsContact O-N 3.08Å
214K84Confident86.5Confident160 Ų16082 Ų8270%0.69639%0.391SS*.PPolyproline II helixtrans-71.7134.9178.8-65.9-179.2-179.71780110.3Q181 E212Q181-K214 WeakPolarHBondContact CB-O 3.3Å; Q181-K214 WeakPolarHBondContact CG-O 3.39Å; E212-K214 PolarHBondContact O-N 2.87Å
215S81.1Confident85.3Confident43 Ų4384.7 Ų84.730%0.30140%0.397SS..PPolyproline II helixtrans-73.7147.9165.5-171.10000109.8E185E185-S215 VanDerWaalsContact CA-OG 3.31Å; E185-S215 WeakPolarHBondContact CA-OG 3.32Å; E185-S215 WeakPolarHBondContact CB-OG 3.48Å; E185-S215 PolarHBondContact N-OG 2.75Å
216T85.3Confident83.2Confident33 Ų3391.9 Ų91.920%0.20243%0.428CS..  trans-95.5178.7165.4-168.90000110.4Q181 V182 E185Q181-T216 HydrophobicContact CB-CG2 3.98Å; V182-T216 HydrophobicContact CB-CG2 4.37Å; V182-T216 HydrophobicContact CG2-CG2 3.65Å; E185-T216 WeakPolarHBondContact CG-O 3.44Å; E185-T216 WeakPolarHBondContact OE2-CG2 3.3Å
217Y85Confident82.7Confident144 Ų14496.2 Ų96.257%0.56545%0.448SS*.  trans-118.429.5173.9-62-77.6000110.7E185 K220 R221E185-Y217 VanDerWaalsContact OE1-CA 3.28Å; E185-Y217 WeakPolarHBondContact OE1-CA 3.36Å; Y217-K220 HydrophobicContact CD1-CD 4.29Å; Y217-R221 WeakPolarHBondContact O-CB 3.42Å; Y217-R221 WeakPolarHBondContact O-CD 3.45Å; Y217-R221 WeakPolarHBondContact O-CG 3.44Å; Y217-R221 PolarHBondContact O-N 2.96Å
218Y88.2Confident82.1Confident56 Ų5693 Ų9322%0.2243%0.433CS..Hα-helixtrans-66.6-49.1-174.7172.9-96.3000110.9K135 V182 E185 R221 C222K135-Y218 HydrophobicContact CB-CE1 3.85Å; V182-Y218 HydrophobicContact CG1-CD1 4.09Å; V182-Y218 HydrophobicContact CG2-CD1 3.91Å; V182-Y218 HydrophobicContact CG2-CG 4.01Å; E185-Y218 PolarHBondContact OE1-N 3.48Å; E185-Y218 WeakPolarHBondContact OE2-CA 3.3Å; E185-Y218 PolarHBondContact OE2-N 3.33Å; Y218-R221 PolarHBondContact O-N 2.9Å; Y218-C222 WeakPolarHBondContact O-CB 3.08Å; Y218-C222 PolarHBondContact O-N 3.09Å; Y218-C222 PolarHBondContact O-SG 2.93Å; Y218-C222 VanDerWaalsContact O-SG 3.33Å
219L86.9Confident81.7Confident0 Ų096.6 Ų96.60%045%0.446CS..Hα-helixtrans-63.5-46.5179.4-58.2176.9000109.9I138 Y139 V182 E185 L186 I189 R221 C222 I223I138-L219 HydrophobicContact CG2-CD1 4.31Å; I138-L219 HydrophobicContact CG2-CD2 4.08Å; Y139-L219 HydrophobicContact CD2-CD2 4.28Å; V182-L219 HydrophobicContact CG1-CD1 4.44Å; V182-L219 HydrophobicContact CG1-CD2 4.08Å; V182-L219 HydrophobicContact CG1-CG 4.19Å; E185-L219 HydrophobicContact CB-CD1 4.39Å; E185-L219 VanDerWaalsContact CD-N 3.3Å; E185-L219 HydrophobicContact CG-CB 4.32Å; E185-L219 HydrophobicContact CG-CD1 4.25Å; E185-L219 HydrophobicContact CG-CG 4.4Å; E185-L219 WeakPolarHBondContact OE1-CB 3.42Å; E185-L219 PolarHBondContact OE1-N 3.07Å; E185-L219 PolarHBondContact OE2-N 2.76Å; L186-L219 HydrophobicContact CB-CD1 3.88Å; L186-L219 HydrophobicContact CD1-CD1 4.32Å; I189-L219 HydrophobicContact CD1-CB 3.96Å; I189-L219 HydrophobicContact CD1-CD1 3.67Å; I189-L219 HydrophobicContact CD1-CG 4.47Å; L219-R221 PolarHBondContact O-N 3.37Å; L219-C222 PolarHBondContact O-N 2.68Å; L219-I223 WeakPolarHBondContact O-CD1 3.36Å; L219-I223 WeakPolarHBondContact O-CG1 3.22Å; L219-I223 PolarHBondContact O-N 3.24Å
220K83.2Confident81.4Confident106 Ų10697.9 Ų97.946%0.46145%0.449SS..Hα-helixtrans-56.8-49.8175.6-175.8171.6176.9174.80112.2E185 Y217 C222 I223 E224E185-K220 PolarHBondContact OE1-N 3.4Å; Y217-K220 HydrophobicContact CD1-CD 4.29Å; K220-C222 VanDerWaalsContact C-N 3.31Å; K220-C222 PolarHBondContact O-N 3.37Å; K220-I223 PolarHBondContact O-N 3.33Å; K220-I223 VanDerWaalsContact O-N 3.09Å; K220-E224 WeakPolarHBondContact CE-OE1 3.31Å; K220-E224 HydrophobicContact CG-CG 4.46Å; K220-E224 WeakPolarHBondContact CG-OE1 3.43Å; K220-E224 IonicContact NZ-OE1 3.84Å; K220-E224 WeakPolarHBondContact O-CG 3.1Å; K220-E224 PolarHBondContact O-N 2.91Å
221R85.7Confident81Confident149 Ų149101.9 Ų101.956%0.56247%0.468SS*.Hα-helixtrans-61.8-36.8177.4-75.3169.5-176.5-179.52.2112.8Y217 Y218 L219 I223 K225Y217-R221 WeakPolarHBondContact O-CB 3.42Å; Y217-R221 WeakPolarHBondContact O-CD 3.45Å; Y217-R221 WeakPolarHBondContact O-CG 3.44Å; Y217-R221 PolarHBondContact O-N 2.96Å; Y218-R221 PolarHBondContact O-N 2.9Å; L219-R221 PolarHBondContact O-N 3.37Å; R221-I223 VanDerWaalsContact C-N 3.31Å; R221-K225 WeakPolarHBondContact O-CB 3.5Å; R221-K225 VanDerWaalsContact O-CG 3.31Å; R221-K225 WeakPolarHBondContact O-CG 2.84Å; R221-K225 PolarHBondContact O-N 3.15Å
222C82.9Confident80.7Confident29 Ų2999.9 Ų99.920%0.19645%0.452CS..Hα-helixtrans-73.6-24176.9-71.50000112.4Y139 Y218 L219 K220Y139-C222 HydrophobicContact CD1-CB 4.45Å; Y139-C222 HydrophobicContact CD2-CB 3.47Å; Y139-C222 VanDerWaalsContact CD2-CB 3.47Å; Y139-C222 HydrophobicContact CE1-CB 4.24Å; Y139-C222 HydrophobicContact CE2-CB 3.18Å; Y139-C222 HydrophobicContact CG-CB 4.1Å; Y139-C222 PolarHBondContact OH-O 3.27Å; Y218-C222 WeakPolarHBondContact O-CB 3.08Å; Y218-C222 PolarHBondContact O-N 3.09Å; Y218-C222 PolarHBondContact O-SG 2.93Å; Y218-C222 VanDerWaalsContact O-SG 3.33Å; L219-C222 PolarHBondContact O-N 2.68Å; K220-C222 VanDerWaalsContact C-N 3.31Å; K220-C222 PolarHBondContact O-N 3.37Å
223I81.3Confident80.5Confident77 Ų7795.7 Ų95.740%0.39543%0.431SS..Hα-helixtrans-75.8-45.8172.6-64.8159.2000110.3Y139 F142 L219 K220 R221 K225Y139-I223 HydrophobicContact CE2-CG1 4.14Å; F142-I223 HydrophobicContact CD1-CD1 4.37Å; F142-I223 HydrophobicContact CE1-CD1 3.79Å; L219-I223 WeakPolarHBondContact O-CD1 3.36Å; L219-I223 WeakPolarHBondContact O-CG1 3.22Å; L219-I223 PolarHBondContact O-N 3.24Å; K220-I223 PolarHBondContact O-N 3.33Å; K220-I223 VanDerWaalsContact O-N 3.09Å; R221-I223 VanDerWaalsContact C-N 3.31Å; I223-K225 VanDerWaalsContact C-N 3.35Å; I223-K225 PolarHBondContact O-N 3.38Å
224E79.3Confident80.4Confident118 Ų118101.7 Ų101.755%0.55146%0.455SS*.Hα-helixtrans-71.8-18.8-176-70.2172.2173.400114.9K220 K226K220-E224 WeakPolarHBondContact CE-OE1 3.31Å; K220-E224 HydrophobicContact CG-CG 4.46Å; K220-E224 WeakPolarHBondContact CG-OE1 3.43Å; K220-E224 IonicContact NZ-OE1 3.84Å; K220-E224 WeakPolarHBondContact O-CG 3.1Å; K220-E224 PolarHBondContact O-N 2.91Å; E224-K226 PolarHBondContact O-N 3.27Å; E224-K226 VanDerWaalsContact O-N 3.15Å
225K71.2Confident80.1Confident180 Ų18096.8 Ų96.878%0.78344%0.435SS*.THydrogen-bonded Turntrans-74.69.5-179.3-85.3-177.7179-172.20115R221 I223R221-K225 WeakPolarHBondContact O-CB 3.5Å; R221-K225 VanDerWaalsContact O-CG 3.31Å; R221-K225 WeakPolarHBondContact O-CG 2.84Å; R221-K225 PolarHBondContact O-N 3.15Å; I223-K225 VanDerWaalsContact C-N 3.35Å; I223-K225 PolarHBondContact O-N 3.38Å
226K51.4Low80Confident227 Ų227101.7 Ų101.799%0.98745%0.447SS*.  trans-134.40174-75.1-169.8176.4-1730110E224E224-K226 PolarHBondContact O-N 3.27Å; E224-K226 VanDerWaalsContact O-N 3.15Å

Retrieved 226 of 226 residues in 52.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).