A0A096LR48_POEFO Loading...

SAM domain-containing protein

AlphaFold DB , UniProt , Accession A0A096LR48, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 123 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1F35.2Very low52.2Low256 Ų256146.8 Ų146.8100%1.12373%0.734SS**  052.90-64.7-84.7000111.5
2H37.6Very low55.6Low196 Ų196135.8 Ų135.891%0.90768%0.678SS**  trans-142.243.8-168.4-99.742.3000111.9
3S33.2Very low58.5Low110 Ų110127.4 Ų127.477%0.76964%0.637SS**SBendtrans-141.924.8-169.455.80000115.6
4N37.2Very low61Low155 Ų155128.9 Ų128.983%0.82964%0.637SS**SBendtrans-1425.4175.9-104.6-8000116.9
5I45Very low63.4Low129 Ų129124.5 Ų124.566%0.66261%0.611SS**SBendtrans-87.5-17.5-176-65.1177.6000112.7
6F42.2Very low65.5Low206 Ų206121.8 Ų121.890%0.90460%0.6SS**THydrogen-bonded Turntrans-96.415.7-170.6-82-73.6000116.7
7R46.5Very low67.4Low234 Ų234117 Ų11788%0.88358%0.579SS**THydrogen-bonded Turntrans-151.144.3172.5-110.7-175.8-165-166.33.6112.4D9R7-D9 PolarHBondContact O-N 3.45Å
8G54Low69.1Low64 Ų64115.1 Ų115.166%0.6657%0.568SS**  trans-74.3109.6155.900000106.5M10G8-M10 PolarHBondContact O-N 3.27Å
9D65.9Low70.6Confident126 Ų126112.1 Ų112.167%0.67455%0.554SS**  trans-42.9137.2159.6-70.9-42000107.1R7 E11R7-D9 PolarHBondContact O-N 3.45Å; D9-E11 HydrophobicContact CB-CG 3.66Å; D9-E11 PolarHBondContact O-N 3.13Å
10M86.6Confident72Confident55 Ų55106.5 Ų106.527%0.27153%0.527SS..SBendtrans-68.947-178.6-60.9176.2-175.700111.1G8 F12 L13 V95 F98 L99 Y114G8-M10 PolarHBondContact O-N 3.27Å; M10-F12 HydrophobicContact CB-CE1 4.16Å; M10-F12 HydrophobicContact CB-CZ 4.41Å; M10-F12 HydrophobicContact CG-CE1 4.37Å; M10-F12 PolarHBondContact O-N 2.93Å; M10-L13 HydrophobicContact CB-CD1 3.64Å; M10-L13 HydrophobicContact CB-CG 4.03Å; M10-L13 WeakPolarHBondContact O-CB 3.48Å; M10-L13 WeakPolarHBondContact O-CG 3.49Å; M10-L13 PolarHBondContact O-N 2.94Å; M10-L13 HydrophobicContact SD-CD1 4.13Å; M10-V95 HydrophobicContact CE-CG1 4.35Å; M10-F98 HydrophobicContact CE-CD1 3.85Å; M10-F98 HydrophobicContact CE-CE1 3.93Å; M10-F98 HydrophobicContact SD-CD1 3.77Å; M10-F98 HydrophobicContact SD-CE1 3.38Å; M10-F98 WeakPolarHBondContact SD-CE1 3.44Å; M10-L99 HydrophobicContact SD-CD2 3.94Å; M10-Y114 HydrophobicContact CE-CD2 4.46Å; M10-Y114 HydrophobicContact CE-CG 4.44Å
11E90.6Very high73.2Confident84 Ų84101.4 Ų101.439%0.39350%0.502SS..G310 helixtrans-60.7-29.2-178.3-68.1-58.2120.600111D9 L13 K14D9-E11 HydrophobicContact CB-CG 3.66Å; D9-E11 PolarHBondContact O-N 3.13Å; E11-L13 PolarHBondContact O-N 3.31Å; E11-L13 VanDerWaalsContact O-N 3.1Å; E11-K14 WeakPolarHBondContact O-CB 3.39Å; E11-K14 PolarHBondContact O-N 2.82Å; E11-K14 IonicContact OE1-NZ 2.75Å; E11-K14 PolarHBondContact OE1-NZ 2.96Å; E11-K14 IonicContact OE2-NZ 2.67Å; E11-K14 PolarHBondContact OE2-NZ 3.31Å
12F93.2Very high76.2Confident14 Ų1494.3 Ų94.36%0.06147%0.47CS..G310 helixtrans-56.7-26.4171.270.4-99.3000111.8M10 K14 W15 G43 L75 L76 L99M10-F12 HydrophobicContact CB-CE1 4.16Å; M10-F12 HydrophobicContact CB-CZ 4.41Å; M10-F12 HydrophobicContact CG-CE1 4.37Å; M10-F12 PolarHBondContact O-N 2.93Å; F12-K14 PolarHBondContact O-N 2.62Å; F12-K14 VanDerWaalsContact O-N 3.12Å; F12-W15 HydrophobicContact CB-CD2 3.89Å; F12-W15 HydrophobicContact CB-CE3 4.01Å; F12-W15 HydrophobicContact CB-CG 4.39Å; F12-W15 HydrophobicContact CB-CH2 4.35Å; F12-W15 HydrophobicContact CB-CZ2 4.24Å; F12-W15 HydrophobicContact CB-CZ3 4.23Å; F12-W15 VanDerWaalsContact O-CB 3.31Å; F12-W15 WeakPolarHBondContact O-CB 3.28Å; F12-W15 PolarHBondContact O-N 3.33Å; F12-G43 CarbonylContact O-C 3.59Å; F12-G43 WeakPolarHBondContact O-CA 3.48Å; F12-L75 HydrophobicContact CB-CD1 4.35Å; F12-L75 HydrophobicContact CB-CD2 4.41Å; F12-L75 HydrophobicContact CB-CG 4.44Å; F12-L75 HydrophobicContact CD1-CD1 4.47Å; F12-L75 HydrophobicContact CD1-CG 4.4Å; F12-L75 HydrophobicContact CG-CG 4.45Å; F12-L76 HydrophobicContact CD2-CD2 3.92Å; F12-L76 HydrophobicContact CE1-CD2 4.3Å; F12-L76 HydrophobicContact CE2-CD2 3.29Å; F12-L76 HydrophobicContact CZ-CD2 3.51Å; F12-L99 HydrophobicContact CE2-CD2 4.05Å; F12-L99 HydrophobicContact CZ-CD1 4.03Å; F12-L99 HydrophobicContact CZ-CD2 3.64Å
13L93.6Very high79.1Confident27 Ų2786.2 Ų86.214%0.14143%0.432CS..G310 helixtrans-64.3-16.7175.1-65.5174.5000113.6M10 E11 K44 L99 K102M10-L13 HydrophobicContact CB-CD1 3.64Å; M10-L13 HydrophobicContact CB-CG 4.03Å; M10-L13 WeakPolarHBondContact O-CB 3.48Å; M10-L13 WeakPolarHBondContact O-CG 3.49Å; M10-L13 PolarHBondContact O-N 2.94Å; M10-L13 HydrophobicContact SD-CD1 4.13Å; E11-L13 PolarHBondContact O-N 3.31Å; E11-L13 VanDerWaalsContact O-N 3.1Å; L13-K44 HydrophobicContact CD2-CG 4.12Å; L13-K44 WeakPolarHBondContact O-CE 3.23Å; L13-K44 WeakPolarHBondContact O-CG 3.45Å; L13-L99 HydrophobicContact CD1-CD2 4.29Å; L13-L99 HydrophobicContact CD2-CD2 4.06Å; L13-L99 HydrophobicContact CG-CD2 4.47Å; L13-K102 HydrophobicContact CD1-CB 4.27Å; L13-K102 HydrophobicContact CD1-CD 4.37Å; L13-K102 HydrophobicContact CD1-CG 4.07Å; L13-K102 HydrophobicContact CD2-CB 4.05Å
14K93.3Very high82.2Confident148 Ų14881 Ų8164%0.64340%0.396SS*.G310 helixtrans-93.8-12.7176.3-57.1175.7-168.51580112.6E11 F12 D16E11-K14 WeakPolarHBondContact O-CB 3.39Å; E11-K14 PolarHBondContact O-N 2.82Å; E11-K14 IonicContact OE1-NZ 2.75Å; E11-K14 PolarHBondContact OE1-NZ 2.96Å; E11-K14 IonicContact OE2-NZ 2.67Å; E11-K14 PolarHBondContact OE2-NZ 3.31Å; F12-K14 PolarHBondContact O-N 2.62Å; F12-K14 VanDerWaalsContact O-N 3.12Å; K14-D16 PolarHBondContact O-N 3.33Å
15W96.8Very high85Confident64 Ų6478 Ų7824%0.24238%0.377CS..  trans-63.1129.9-177.3-69.30.7000111.4F12 D19 V20 W23 G43 L46 L75F12-W15 HydrophobicContact CB-CD2 3.89Å; F12-W15 HydrophobicContact CB-CE3 4.01Å; F12-W15 HydrophobicContact CB-CG 4.39Å; F12-W15 HydrophobicContact CB-CH2 4.35Å; F12-W15 HydrophobicContact CB-CZ2 4.24Å; F12-W15 HydrophobicContact CB-CZ3 4.23Å; F12-W15 VanDerWaalsContact O-CB 3.31Å; F12-W15 WeakPolarHBondContact O-CB 3.28Å; F12-W15 PolarHBondContact O-N 3.33Å; W15-D19 HydrophobicContact CB-CB 3.61Å; W15-D19 HydrophobicContact CD2-CB 4.18Å; W15-D19 HydrophobicContact CG-CB 3.68Å; W15-V20 HydrophobicContact CB-CG2 4.2Å; W15-V20 HydrophobicContact CE3-CG2 4.09Å; W15-W23 HydrophobicContact CE3-CB 4.31Å; W15-W23 HydrophobicContact CH2-CB 3.79Å; W15-W23 AromaticContact CH2-CD1 3.75Å; W15-W23 AromaticContact CH2-CG 3.77Å; W15-W23 HydrophobicContact CH2-CG 3.77Å; W15-W23 HydrophobicContact CZ3-CB 3.44Å; W15-W23 VanDerWaalsContact CZ3-CB 3.44Å; W15-W23 AromaticContact CZ3-CD1 3.94Å; W15-W23 HydrophobicContact CZ3-CD2 4.09Å; W15-W23 AromaticContact CZ3-CG 3.5Å; W15-W23 HydrophobicContact CZ3-CG 3.5Å; W15-G43 PolarHBondContact O-N 3.18Å; W15-L46 HydrophobicContact CE3-CD1 4.41Å; W15-L75 HydrophobicContact CH2-CD1 3.79Å; W15-L75 HydrophobicContact CH2-CD2 4.12Å; W15-L75 HydrophobicContact CZ3-CD1 4.25Å; W15-L75 HydrophobicContact CZ3-CD2 3.71Å
16D97.4Very high87.5Confident81 Ų8176.4 Ų76.443%0.43338%0.377SS..  trans-77.3-172.5164.270.822.4000110.9K14 E18 D19 V20K14-D16 PolarHBondContact O-N 3.33Å; D16-E18 VanDerWaalsContact C-N 3.31Å; D16-E18 PolarHBondContact O-N 3.1Å; D16-E18 WeakPolarHBondContact OD1-CA 3.46Å; D16-E18 WeakPolarHBondContact OD1-CB 3.45Å; D16-E18 PolarHBondContact OD1-N 2.9Å; D16-D19 PolarHBondContact N-OD2 3.04Å; D16-D19 PolarHBondContact OD1-N 2.95Å; D16-V20 WeakPolarHBondContact O-CG2 3.27Å; D16-V20 PolarHBondContact O-N 3Å
17T97.9Very high90Very high40 Ų4068.7 Ų68.725%0.24534%0.344CS..Hα-helixtrans-68-30.3-18050.70000113.2A21 T42T17-A21 WeakPolarHBondContact O-CB 3.39Å; T17-A21 PolarHBondContact O-N 2.96Å; T17-T42 HydrophobicContact CG2-CG2 4.08Å
18E97.9Very high92.4Very high83 Ų8360.4 Ų60.439%0.38833%0.332SS..Hα-helixtrans-77.9-39.4-178.2-17856-14900110.7D16 V20 A21 K22D16-E18 VanDerWaalsContact C-N 3.31Å; D16-E18 PolarHBondContact O-N 3.1Å; D16-E18 WeakPolarHBondContact OD1-CA 3.46Å; D16-E18 WeakPolarHBondContact OD1-CB 3.45Å; D16-E18 PolarHBondContact OD1-N 2.9Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 3.1Å; E18-A21 WeakPolarHBondContact O-CB 3.19Å; E18-A21 PolarHBondContact O-N 3.41Å; E18-A21 VanDerWaalsContact O-N 3.14Å; E18-K22 WeakPolarHBondContact O-CG 3.18Å; E18-K22 PolarHBondContact O-N 3.11Å
19D98.3Very high94.4Very high57 Ų5758.3 Ų58.331%0.30531%0.305SS..Hα-helixtrans-58.8-43.1170.8-67.5-34.8000111.4W15 D16 A21 K22 W23W15-D19 HydrophobicContact CB-CB 3.61Å; W15-D19 HydrophobicContact CD2-CB 4.18Å; W15-D19 HydrophobicContact CG-CB 3.68Å; D16-D19 PolarHBondContact N-OD2 3.04Å; D16-D19 PolarHBondContact OD1-N 2.95Å; D19-A21 PolarHBondContact O-N 3.33Å; D19-K22 PolarHBondContact O-N 2.84Å; D19-W23 PolarHBondContact O-N 2.75Å
20V98.1Very high95.9Very high0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-61.7-43.4173.1172.40000111.1W15 D16 E18 K22 W23 V24 F36 I41 L46W15-V20 HydrophobicContact CB-CG2 4.2Å; W15-V20 HydrophobicContact CE3-CG2 4.09Å; D16-V20 WeakPolarHBondContact O-CG2 3.27Å; D16-V20 PolarHBondContact O-N 3Å; E18-V20 VanDerWaalsContact C-N 3.3Å; E18-V20 PolarHBondContact O-N 3.1Å; V20-K22 VanDerWaalsContact C-N 3.35Å; V20-K22 PolarHBondContact O-N 3.15Å; V20-W23 WeakPolarHBondContact O-CB 3.42Å; V20-W23 PolarHBondContact O-N 2.76Å; V20-V24 HydrophobicContact CG1-CG2 4.35Å; V20-V24 WeakPolarHBondContact O-CG2 3.45Å; V20-V24 PolarHBondContact O-N 3.4Å; V20-F36 HydrophobicContact CG1-CB 4.12Å; V20-F36 HydrophobicContact CG1-CD1 3.58Å; V20-F36 HydrophobicContact CG1-CE1 4.35Å; V20-F36 HydrophobicContact CG1-CG 4.14Å; V20-I41 HydrophobicContact CG1-CG2 4.39Å; V20-I41 WeakPolarHBondContact CG2-O 3.27Å; V20-L46 HydrophobicContact CG1-CD2 4Å; V20-L46 HydrophobicContact CG2-CD1 4.18Å; V20-L46 HydrophobicContact CG2-CG 4.42Å
21A97.8Very high96.4Very high0 Ų059.3 Ų59.30%031%0.31CS..Hα-helixtrans-62.7-40.1178.500000112.5T17 E18 D19 W23 V24 E25 K33 T37T17-A21 WeakPolarHBondContact O-CB 3.39Å; T17-A21 PolarHBondContact O-N 2.96Å; E18-A21 WeakPolarHBondContact O-CB 3.19Å; E18-A21 PolarHBondContact O-N 3.41Å; E18-A21 VanDerWaalsContact O-N 3.14Å; D19-A21 PolarHBondContact O-N 3.33Å; A21-W23 VanDerWaalsContact C-N 3.33Å; A21-V24 PolarHBondContact O-N 3.39Å; A21-E25 PolarHBondContact O-N 2.87Å; A21-K33 HydrophobicContact CB-CB 4.31Å; A21-K33 HydrophobicContact CB-CG 4.32Å; A21-T37 HydrophobicContact CB-CG2 3.6Å
22K97.9Very high96.7Very high107 Ų10756.6 Ų56.647%0.46530%0.296SS..Hα-helixtrans-63.9-38.7173.5-70.5168.3-172.5158.50111.9E18 D19 V20 E25 S26E18-K22 WeakPolarHBondContact O-CG 3.18Å; E18-K22 PolarHBondContact O-N 3.11Å; D19-K22 PolarHBondContact O-N 2.84Å; V20-K22 VanDerWaalsContact C-N 3.35Å; V20-K22 PolarHBondContact O-N 3.15Å; K22-E25 PolarHBondContact O-N 3.27Å; K22-S26 PolarHBondContact O-N 3.3Å
23W97.8Very high96.9Very high27 Ų2758.5 Ų58.510%0.10231%0.305CS..Hα-helixtrans-65-44.3173.5170.276.7000112W15 D19 V20 A21 E25 S26 I27 L46 C71 V72 L75W15-W23 HydrophobicContact CE3-CB 4.31Å; W15-W23 HydrophobicContact CH2-CB 3.79Å; W15-W23 AromaticContact CH2-CD1 3.75Å; W15-W23 AromaticContact CH2-CG 3.77Å; W15-W23 HydrophobicContact CH2-CG 3.77Å; W15-W23 HydrophobicContact CZ3-CB 3.44Å; W15-W23 VanDerWaalsContact CZ3-CB 3.44Å; W15-W23 AromaticContact CZ3-CD1 3.94Å; W15-W23 HydrophobicContact CZ3-CD2 4.09Å; W15-W23 AromaticContact CZ3-CG 3.5Å; W15-W23 HydrophobicContact CZ3-CG 3.5Å; D19-W23 PolarHBondContact O-N 2.75Å; V20-W23 WeakPolarHBondContact O-CB 3.42Å; V20-W23 PolarHBondContact O-N 2.76Å; A21-W23 VanDerWaalsContact C-N 3.33Å; W23-E25 VanDerWaalsContact C-N 3.25Å; W23-E25 PolarHBondContact O-N 3.1Å; W23-S26 PolarHBondContact O-N 2.9Å; W23-S26 VanDerWaalsContact O-N 3.1Å; W23-S26 PolarHBondContact O-OG 2.98Å; W23-I27 HydrophobicContact CH2-CD1 3.96Å; W23-I27 HydrophobicContact CZ2-CD1 4.05Å; W23-I27 HydrophobicContact CZ2-CG2 4.34Å; W23-I27 HydrophobicContact CZ3-CD1 4.33Å; W23-I27 WeakPolarHBondContact O-CG1 3.19Å; W23-I27 PolarHBondContact O-N 3.15Å; W23-I27 VanDerWaalsContact O-N 3.1Å; W23-L46 HydrophobicContact CZ3-CD2 4.2Å; W23-C71 HydrophobicContact CH2-CB 4.33Å; W23-C71 HydrophobicContact CZ2-CB 4.01Å; W23-V72 HydrophobicContact CH2-CB 4.48Å; W23-V72 HydrophobicContact CH2-CG2 3.65Å; W23-V72 HydrophobicContact CZ3-CG2 4.23Å; W23-L75 HydrophobicContact CD2-CD2 3.99Å; W23-L75 HydrophobicContact CE3-CD2 4.41Å; W23-L75 HydrophobicContact CG-CD2 4.49Å; W23-L75 HydrophobicContact CH2-CD2 4.33Å; W23-L75 HydrophobicContact CZ2-CB 4.1Å; W23-L75 HydrophobicContact CZ2-CD2 3.86Å
24V97.5Very high97.1Very high1 Ų159.3 Ų59.31%0.00632%0.315CS..Hα-helixtrans-58.9-39.1175.2170.70000111.3V20 A21 I27 F29 F36V20-V24 HydrophobicContact CG1-CG2 4.35Å; V20-V24 WeakPolarHBondContact O-CG2 3.45Å; V20-V24 PolarHBondContact O-N 3.4Å; A21-V24 PolarHBondContact O-N 3.39Å; V24-I27 WeakPolarHBondContact O-CG1 3.26Å; V24-F29 HydrophobicContact CG1-CB 3.86Å; V24-F29 VanDerWaalsContact CG1-O 3.27Å; V24-F29 WeakPolarHBondContact CG1-O 3.44Å; V24-F29 CarbonylContact O-C 3.17Å; V24-F29 WeakPolarHBondContact O-CA 3.32Å; V24-F29 PolarHBondContact O-N 3.04Å; V24-F36 HydrophobicContact CB-CD2 4.49Å; V24-F36 HydrophobicContact CG1-CD2 4.2Å; V24-F36 HydrophobicContact CG1-CE2 4.18Å; V24-F36 HydrophobicContact CG2-CD1 4.06Å; V24-F36 HydrophobicContact CG2-CD2 3.63Å; V24-F36 HydrophobicContact CG2-CE1 4.08Å; V24-F36 HydrophobicContact CG2-CE2 3.63Å; V24-F36 HydrophobicContact CG2-CG 3.84Å; V24-F36 HydrophobicContact CG2-CZ 3.87Å
25E97.1Very high97.2Very high92 Ų9253.3 Ų53.343%0.4329%0.292SS..Hα-helixtrans-65.1-43.5173.6-177.7161.3-130.500112.5A21 K22 W23 I27 G28 K33A21-E25 PolarHBondContact O-N 2.87Å; K22-E25 PolarHBondContact O-N 3.27Å; W23-E25 VanDerWaalsContact C-N 3.25Å; W23-E25 PolarHBondContact O-N 3.1Å; E25-I27 VanDerWaalsContact C-N 3.27Å; E25-I27 PolarHBondContact O-N 3.42Å; E25-G28 PolarHBondContact O-N 3.13Å; E25-K33 HydrophobicContact CB-CD 4.06Å; E25-K33 HydrophobicContact CB-CG 4.44Å; E25-K33 HydrophobicContact CG-CD 4.49Å; E25-K33 IonicContact OE1-NZ 2.76Å; E25-K33 IonicContact OE2-NZ 3.63Å; E25-K33 PolarHBondContact OE2-NZ 3.37Å
26S96.9Very high97.3Very high95 Ų9550.3 Ų50.366%0.66428%0.28SS*.Hα-helixtrans-67.7-25.3-178780000113.6K22 W23 G28K22-S26 PolarHBondContact O-N 3.3Å; W23-S26 PolarHBondContact O-N 2.9Å; W23-S26 VanDerWaalsContact O-N 3.1Å; W23-S26 PolarHBondContact O-OG 2.98Å; S26-G28 VanDerWaalsContact C-N 3.26Å
27I95.8Very high97.3Very high44 Ų4448.2 Ų48.223%0.22627%0.27CS..THydrogen-bonded Turntrans-84.96.6171.462.4160000113.5W23 V24 E25 F29 C71W23-I27 HydrophobicContact CH2-CD1 3.96Å; W23-I27 HydrophobicContact CZ2-CD1 4.05Å; W23-I27 HydrophobicContact CZ2-CG2 4.34Å; W23-I27 HydrophobicContact CZ3-CD1 4.33Å; W23-I27 WeakPolarHBondContact O-CG1 3.19Å; W23-I27 PolarHBondContact O-N 3.15Å; W23-I27 VanDerWaalsContact O-N 3.1Å; V24-I27 WeakPolarHBondContact O-CG1 3.26Å; E25-I27 VanDerWaalsContact C-N 3.27Å; E25-I27 PolarHBondContact O-N 3.42Å; I27-F29 HydrophobicContact CB-CD2 4.43Å; I27-F29 HydrophobicContact CD1-CD2 3.79Å; I27-F29 HydrophobicContact CD1-CE2 4.46Å; I27-F29 HydrophobicContact CG1-CD2 3.84Å; I27-F29 VanDerWaalsContact O-CD2 3.28Å; I27-F29 WeakPolarHBondContact O-CD2 3.49Å; I27-F29 WeakPolarHBondContact O-CE2 3.36Å; I27-C71 HydrophobicContact CD1-CB 3.78Å; I27-C71 HydrophobicContact CG2-CB 4.48Å
28G96.1Very high97.2Very high60 Ų6053.2 Ų53.262%0.61929%0.291SS*.THydrogen-bonded Turntrans90.110.8174.300000115.3E25 S26E25-G28 PolarHBondContact O-N 3.13Å; S26-G28 VanDerWaalsContact C-N 3.26Å
29F96.1Very high97.1Very high20 Ų2052.6 Ų52.69%0.08829%0.29CS..  trans-109.737.6-175-71.2-82.4000112.7V24 I27 K31 Y32 D64 V67 V68V24-F29 HydrophobicContact CG1-CB 3.86Å; V24-F29 VanDerWaalsContact CG1-O 3.27Å; V24-F29 WeakPolarHBondContact CG1-O 3.44Å; V24-F29 CarbonylContact O-C 3.17Å; V24-F29 WeakPolarHBondContact O-CA 3.32Å; V24-F29 PolarHBondContact O-N 3.04Å; I27-F29 HydrophobicContact CB-CD2 4.43Å; I27-F29 HydrophobicContact CD1-CD2 3.79Å; I27-F29 HydrophobicContact CD1-CE2 4.46Å; I27-F29 HydrophobicContact CG1-CD2 3.84Å; I27-F29 VanDerWaalsContact O-CD2 3.28Å; I27-F29 WeakPolarHBondContact O-CD2 3.49Å; I27-F29 WeakPolarHBondContact O-CE2 3.36Å; F29-K31 PolarHBondContact O-N 3.36Å; F29-Y32 HydrophobicContact CB-CD2 4.09Å; F29-Y32 AromaticContact CD1-CD2 3.78Å; F29-Y32 HydrophobicContact CD1-CD2 3.78Å; F29-Y32 AromaticContact CD1-CE2 3.87Å; F29-Y32 HydrophobicContact CD1-CE2 3.87Å; F29-Y32 HydrophobicContact CG-CD2 4.35Å; F29-Y32 PolarHBondContact O-N 2.89Å; F29-D64 HydrophobicContact CD1-CB 4.48Å; F29-D64 HydrophobicContact CE1-CB 3.87Å; F29-D64 WeakPolarHBondContact CE1-OD1 3.45Å; F29-V67 HydrophobicContact CE2-CB 4.13Å; F29-V67 HydrophobicContact CE2-CG1 3.49Å; F29-V67 VanDerWaalsContact CE2-CG1 3.49Å; F29-V67 HydrophobicContact CZ-CB 3.67Å; F29-V67 HydrophobicContact CZ-CG1 3.51Å; F29-V68 HydrophobicContact CD1-CG2 3.85Å; F29-V68 HydrophobicContact CD2-CG2 3.98Å; F29-V68 HydrophobicContact CE1-CG2 4Å; F29-V68 HydrophobicContact CE2-CG2 4.14Å; F29-V68 HydrophobicContact CG-CG2 3.84Å; F29-V68 HydrophobicContact CZ-CG2 4.15Å
30S96.8Very high97Very high68 Ų6856.6 Ų56.648%0.47631%0.305SS..G310 helixtrans-52.3-32.6-178.1610000114Y32 K33S30-Y32 PolarHBondContact O-N 3.16Å; S30-Y32 VanDerWaalsContact O-N 3.11Å; S30-K33 VanDerWaalsContact O-CG 3.27Å; S30-K33 WeakPolarHBondContact O-CG 3.47Å; S30-K33 PolarHBondContact O-N 2.98Å; S30-K33 VanDerWaalsContact O-N 3.15Å
31K97Very high97Very high133 Ų13357.4 Ų57.458%0.57831%0.31SS*.G310 helixtrans-58.6-19.9174.164.8178.4178.3175.50114.5F29 D64F29-K31 PolarHBondContact O-N 3.36Å; K31-D64 VanDerWaalsContact CE-OD2 3.23Å; K31-D64 WeakPolarHBondContact CE-OD2 3.08Å; K31-D64 IonicContact NZ-OD1 2.77Å; K31-D64 IonicContact NZ-OD2 3.94Å; K31-D64 PolarHBondContact NZ-OD2 3.34Å
32Y97.6Very high96.9Very high27 Ų2759.5 Ų59.511%0.10632%0.322CS..G310 helixtrans-103.15.2-180-63.5-47.6000114.2F29 S30 A34 C35 F36 I59 D64F29-Y32 HydrophobicContact CB-CD2 4.09Å; F29-Y32 AromaticContact CD1-CD2 3.78Å; F29-Y32 HydrophobicContact CD1-CD2 3.78Å; F29-Y32 AromaticContact CD1-CE2 3.87Å; F29-Y32 HydrophobicContact CD1-CE2 3.87Å; F29-Y32 HydrophobicContact CG-CD2 4.35Å; F29-Y32 PolarHBondContact O-N 2.89Å; S30-Y32 PolarHBondContact O-N 3.16Å; S30-Y32 VanDerWaalsContact O-N 3.11Å; Y32-A34 VanDerWaalsContact C-N 3.29Å; Y32-A34 PolarHBondContact O-N 2.99Å; Y32-C35 WeakPolarHBondContact O-CA 3.23Å; Y32-C35 VanDerWaalsContact O-CB 3.23Å; Y32-C35 WeakPolarHBondContact O-CB 3.5Å; Y32-C35 PolarHBondContact O-N 3.5Å; Y32-F36 WeakPolarHBondContact O-CD2 3.47Å; Y32-F36 PolarHBondContact O-N 3.39Å; Y32-I59 HydrophobicContact CD1-CD1 4.27Å; Y32-I59 HydrophobicContact CD1-CG1 3.66Å; Y32-I59 HydrophobicContact CD2-CD1 4.13Å; Y32-I59 HydrophobicContact CD2-CG1 4.16Å; Y32-I59 HydrophobicContact CD2-CG2 4.35Å; Y32-I59 HydrophobicContact CE1-CB 4.41Å; Y32-I59 HydrophobicContact CE1-CG1 3.92Å; Y32-I59 HydrophobicContact CE1-CG2 4.31Å; Y32-I59 HydrophobicContact CE2-CG1 4.42Å; Y32-I59 HydrophobicContact CE2-CG2 3.93Å; Y32-I59 HydrophobicContact CG-CD1 3.89Å; Y32-I59 HydrophobicContact CG-CG1 3.79Å; Y32-D64 HydrophobicContact CE2-CB 3.8Å; Y32-D64 WeakPolarHBondContact CE2-OD2 3.31Å; Y32-D64 PolarHBondContact OH-OD2 3.34Å
33K97.4Very high96.9Very high55 Ų5554.4 Ų54.424%0.23930%0.3CS..Hα-helixtrans-52-48.7177.9-72176.977.1167.30112.2A21 E25 S30 C35 F36 T37A21-K33 HydrophobicContact CB-CB 4.31Å; A21-K33 HydrophobicContact CB-CG 4.32Å; E25-K33 HydrophobicContact CB-CD 4.06Å; E25-K33 HydrophobicContact CB-CG 4.44Å; E25-K33 HydrophobicContact CG-CD 4.49Å; E25-K33 IonicContact OE1-NZ 2.76Å; E25-K33 IonicContact OE2-NZ 3.63Å; E25-K33 PolarHBondContact OE2-NZ 3.37Å; S30-K33 VanDerWaalsContact O-CG 3.27Å; S30-K33 WeakPolarHBondContact O-CG 3.47Å; S30-K33 PolarHBondContact O-N 2.98Å; S30-K33 VanDerWaalsContact O-N 3.15Å; K33-C35 VanDerWaalsContact C-N 3.28Å; K33-C35 PolarHBondContact O-N 3.33Å; K33-F36 PolarHBondContact O-N 3.48Å; K33-T37 PolarHBondContact O-N 3.03Å; K33-T37 PolarHBondContact O-OG1 2.85Å
34A96.8Very high96.7Very high43 Ų4355.7 Ų55.736%0.35531%0.307SS..Hα-helixtrans-57.9-39.9177.800000112.2Y32 F36 T37 E38Y32-A34 VanDerWaalsContact C-N 3.29Å; Y32-A34 PolarHBondContact O-N 2.99Å; A34-F36 PolarHBondContact O-N 3.01Å; A34-T37 WeakPolarHBondContact CA-OG1 3.35Å; A34-T37 PolarHBondContact O-N 2.94Å; A34-T37 PolarHBondContact O-OG1 3.39Å; A34-E38 VanDerWaalsContact O-CB 3.24Å; A34-E38 WeakPolarHBondContact O-CB 3.4Å; A34-E38 WeakPolarHBondContact O-CG 3.33Å; A34-E38 PolarHBondContact O-N 2.92Å
35C96.9Very high96.7Very high23 Ų2359.7 Ų59.716%0.15532%0.324CS..Hα-helixtrans-57.5-35.8175.8-61.30000112.4Y32 K33 N39 L57 I59Y32-C35 WeakPolarHBondContact O-CA 3.23Å; Y32-C35 VanDerWaalsContact O-CB 3.23Å; Y32-C35 WeakPolarHBondContact O-CB 3.5Å; Y32-C35 PolarHBondContact O-N 3.5Å; K33-C35 VanDerWaalsContact C-N 3.28Å; K33-C35 PolarHBondContact O-N 3.33Å; C35-N39 VanDerWaalsContact O-CB 3.32Å; C35-N39 WeakPolarHBondContact O-CB 3.41Å; C35-N39 PolarHBondContact O-ND2 2.87Å; C35-L57 WeakPolarHBondContact CB-O 3.46Å; C35-L57 PolarHBondContact SG-O 3.34Å; C35-I59 HydrophobicContact CB-CD1 4.44Å; C35-I59 HydrophobicContact CB-CG1 4.29Å
36F97.4Very high96.6Very high0 Ų055.3 Ų55.30%030%0.303CS..Hα-helixtrans-83.8-41.1178.6-76.4-100.5000112.5V20 V24 Y32 K33 A34 F40 I41 L46 V49 I59 V68V20-F36 HydrophobicContact CG1-CB 4.12Å; V20-F36 HydrophobicContact CG1-CD1 3.58Å; V20-F36 HydrophobicContact CG1-CE1 4.35Å; V20-F36 HydrophobicContact CG1-CG 4.14Å; V24-F36 HydrophobicContact CB-CD2 4.49Å; V24-F36 HydrophobicContact CG1-CD2 4.2Å; V24-F36 HydrophobicContact CG1-CE2 4.18Å; V24-F36 HydrophobicContact CG2-CD1 4.06Å; V24-F36 HydrophobicContact CG2-CD2 3.63Å; V24-F36 HydrophobicContact CG2-CE1 4.08Å; V24-F36 HydrophobicContact CG2-CE2 3.63Å; V24-F36 HydrophobicContact CG2-CG 3.84Å; V24-F36 HydrophobicContact CG2-CZ 3.87Å; Y32-F36 WeakPolarHBondContact O-CD2 3.47Å; Y32-F36 PolarHBondContact O-N 3.39Å; K33-F36 PolarHBondContact O-N 3.48Å; A34-F36 PolarHBondContact O-N 3.01Å; F36-F40 PolarHBondContact O-N 3.27Å; F36-I41 HydrophobicContact CB-CB 4.3Å; F36-I41 HydrophobicContact CD1-CB 3.87Å; F36-I41 HydrophobicContact CD1-CG1 4.14Å; F36-I41 HydrophobicContact CD1-CG2 3.73Å; F36-I41 HydrophobicContact CE1-CG2 4.27Å; F36-I41 WeakPolarHBondContact O-CB 3.38Å; F36-I41 WeakPolarHBondContact O-CG1 3.03Å; F36-I41 PolarHBondContact O-N 3.04Å; F36-L46 HydrophobicContact CD1-CD2 4.39Å; F36-L46 HydrophobicContact CE1-CD2 4.01Å; F36-V49 HydrophobicContact CE1-CG1 4.33Å; F36-V49 HydrophobicContact CE1-CG2 4.28Å; F36-V49 HydrophobicContact CZ-CG1 4.36Å; F36-I59 HydrophobicContact CD2-CD1 4.43Å; F36-I59 HydrophobicContact CE2-CD1 3.6Å; F36-I59 HydrophobicContact CZ-CD1 4.23Å; F36-V68 HydrophobicContact CZ-CG1 4.14Å
37T97.4Very high96.4Very high38 Ų3852 Ų5223%0.23328%0.278CS..Hα-helixtrans-71.1-47.4-17854.20000112.2A21 K33 A34 N39 F40A21-T37 HydrophobicContact CB-CG2 3.6Å; K33-T37 PolarHBondContact O-N 3.03Å; K33-T37 PolarHBondContact O-OG1 2.85Å; A34-T37 WeakPolarHBondContact CA-OG1 3.35Å; A34-T37 PolarHBondContact O-N 2.94Å; A34-T37 PolarHBondContact O-OG1 3.39Å; T37-N39 VanDerWaalsContact C-N 3.27Å; T37-N39 PolarHBondContact O-N 3.25Å; T37-F40 PolarHBondContact O-N 2.99Å
38E96.9Very high96.3Very high144 Ų14454 Ų5467%0.67329%0.286SS*.Hα-helixtrans-68.5-27.1-178.4-63.8177.2-173.600112.4A34 F40A34-E38 VanDerWaalsContact O-CB 3.24Å; A34-E38 WeakPolarHBondContact O-CB 3.4Å; A34-E38 WeakPolarHBondContact O-CG 3.33Å; A34-E38 PolarHBondContact O-N 2.92Å; E38-F40 VanDerWaalsContact C-N 3.28Å; E38-F40 WeakPolarHBondContact O-CD2 3.46Å; E38-F40 WeakPolarHBondContact O-CE2 3.49Å
39N96.3Very high96.2Very high70 Ų7051.5 Ų51.537%0.37426%0.259SS..THydrogen-bonded Turntrans-88.99.5172.8-70.3-80.1000113.3C35 T37 I41 L57C35-N39 VanDerWaalsContact O-CB 3.32Å; C35-N39 WeakPolarHBondContact O-CB 3.41Å; C35-N39 PolarHBondContact O-ND2 2.87Å; T37-N39 VanDerWaalsContact C-N 3.27Å; T37-N39 PolarHBondContact O-N 3.25Å; N39-I41 VanDerWaalsContact C-N 3.27Å; N39-I41 HydrophobicContact CB-CD1 4.16Å; N39-I41 HydrophobicContact CB-CG1 4.07Å; N39-I41 PolarHBondContact O-N 3.33Å; N39-L57 HydrophobicContact CB-CD2 4.42Å
40F95.7Very high96.1Very high142 Ų14253.7 Ų53.762%0.62327%0.272SS*.THydrogen-bonded Turntrans53.141.1177.8-55.7-84.4000113.4F36 T37 E38 T42 K45F36-F40 PolarHBondContact O-N 3.27Å; T37-F40 PolarHBondContact O-N 2.99Å; E38-F40 VanDerWaalsContact C-N 3.28Å; E38-F40 WeakPolarHBondContact O-CD2 3.46Å; E38-F40 WeakPolarHBondContact O-CE2 3.49Å; F40-T42 PolarHBondContact O-N 2.99Å; F40-K45 VanDerWaalsContact O-CD 3.22Å; F40-K45 WeakPolarHBondContact O-CD 3.45Å; F40-K45 WeakPolarHBondContact O-CE 3.5Å; F40-K45 PolarHBondContact O-NZ 3.14Å
41I97.3Very high95.8Very high17 Ų1752.8 Ų52.89%0.08726%0.264CS..  trans-79101.8179.3-52-60.4000109.2V20 F36 N39 K45 L46 V49 L57V20-I41 HydrophobicContact CG1-CG2 4.39Å; V20-I41 WeakPolarHBondContact CG2-O 3.27Å; F36-I41 HydrophobicContact CB-CB 4.3Å; F36-I41 HydrophobicContact CD1-CB 3.87Å; F36-I41 HydrophobicContact CD1-CG1 4.14Å; F36-I41 HydrophobicContact CD1-CG2 3.73Å; F36-I41 HydrophobicContact CE1-CG2 4.27Å; F36-I41 WeakPolarHBondContact O-CB 3.38Å; F36-I41 WeakPolarHBondContact O-CG1 3.03Å; F36-I41 PolarHBondContact O-N 3.04Å; N39-I41 VanDerWaalsContact C-N 3.27Å; N39-I41 HydrophobicContact CB-CD1 4.16Å; N39-I41 HydrophobicContact CB-CG1 4.07Å; N39-I41 PolarHBondContact O-N 3.33Å; I41-K45 HydrophobicContact CG2-CB 4.15Å; I41-L46 HydrophobicContact CG2-CD2 3.91Å; I41-L46 HydrophobicContact CG2-CG 4.48Å; I41-V49 HydrophobicContact CG2-CG2 4.19Å; I41-L57 HydrophobicContact CD1-CD2 3.68Å; I41-L57 HydrophobicContact CG1-CD2 3.49Å; I41-L57 VanDerWaalsContact CG1-CD2 3.49Å
42T97.1Very high95.6Very high44 Ų4452.9 Ų52.927%0.2727%0.271SS..  trans-85.9167.8169.261.30000110.1T17 F40 K44 K45 L46T17-T42 HydrophobicContact CG2-CG2 4.08Å; F40-T42 PolarHBondContact O-N 2.99Å; T42-K44 PolarHBondContact O-N 3.37Å; T42-K45 WeakPolarHBondContact O-CA 3.42Å; T42-K45 WeakPolarHBondContact O-CB 3.25Å; T42-K45 PolarHBondContact O-N 3.45Å; T42-L46 PolarHBondContact O-N 3.01Å
43G96.3Very high95.4Very high0 Ų053.1 Ų53.10%028%0.275CS..G310 helixtrans-63.1-27.3-179.200000113.9F12 W15 K45 L46F12-G43 CarbonylContact O-C 3.59Å; F12-G43 WeakPolarHBondContact O-CA 3.48Å; W15-G43 PolarHBondContact O-N 3.18Å; G43-K45 VanDerWaalsContact C-N 3.26Å; G43-K45 PolarHBondContact O-N 2.9Å; G43-L46 WeakPolarHBondContact O-CB 3.28Å; G43-L46 PolarHBondContact O-N 3.45Å
44K95.1Very high95.3Very high54 Ų5450.5 Ų50.524%0.23526%0.263CS..G310 helixtrans-62-30.5168.8-69.5-173.8176.8-176.90113.7L13 T42 I47 S103 N110L13-K44 HydrophobicContact CD2-CG 4.12Å; L13-K44 WeakPolarHBondContact O-CE 3.23Å; L13-K44 WeakPolarHBondContact O-CG 3.45Å; T42-K44 PolarHBondContact O-N 3.37Å; K44-I47 WeakPolarHBondContact O-CG2 3.32Å; K44-S103 WeakPolarHBondContact O-CB 3.33Å; K44-N110 PolarHBondContact NZ-OD1 3.5Å
45K95.8Very high95.3Very high84 Ų8451.1 Ų51.137%0.36526%0.264SS..G310 helixtrans-85.3-12.5-179.5-70.6179.1178.6177.70113F40 I41 T42 G43 I47 H48F40-K45 VanDerWaalsContact O-CD 3.22Å; F40-K45 WeakPolarHBondContact O-CD 3.45Å; F40-K45 WeakPolarHBondContact O-CE 3.5Å; F40-K45 PolarHBondContact O-NZ 3.14Å; I41-K45 HydrophobicContact CG2-CB 4.15Å; T42-K45 WeakPolarHBondContact O-CA 3.42Å; T42-K45 WeakPolarHBondContact O-CB 3.25Å; T42-K45 PolarHBondContact O-N 3.45Å; G43-K45 VanDerWaalsContact C-N 3.26Å; G43-K45 PolarHBondContact O-N 2.9Å; K45-I47 PolarHBondContact O-N 3.02Å; K45-H48 WeakPolarHBondContact O-CB 3.41Å; K45-H48 PolarHBondContact O-N 3.35Å
46L95.7Very high95.2Very high0 Ų058.1 Ų58.10%029%0.291CS..G310 helixtrans-59-28.3177.9-69.9175000112.8W15 V20 W23 F36 I41 T42 G43 H48 V49 V72 L75 L76W15-L46 HydrophobicContact CE3-CD1 4.41Å; V20-L46 HydrophobicContact CG1-CD2 4Å; V20-L46 HydrophobicContact CG2-CD1 4.18Å; V20-L46 HydrophobicContact CG2-CG 4.42Å; W23-L46 HydrophobicContact CZ3-CD2 4.2Å; F36-L46 HydrophobicContact CD1-CD2 4.39Å; F36-L46 HydrophobicContact CE1-CD2 4.01Å; I41-L46 HydrophobicContact CG2-CD2 3.91Å; I41-L46 HydrophobicContact CG2-CG 4.48Å; T42-L46 PolarHBondContact O-N 3.01Å; G43-L46 WeakPolarHBondContact O-CB 3.28Å; G43-L46 PolarHBondContact O-N 3.45Å; L46-H48 PolarHBondContact O-N 2.93Å; L46-H48 VanDerWaalsContact O-N 3.11Å; L46-V49 HydrophobicContact CD2-CG2 4.26Å; L46-V49 WeakPolarHBondContact O-CB 3.23Å; L46-V49 PolarHBondContact O-N 2.95Å; L46-V72 WeakPolarHBondContact O-CG1 3.46Å; L46-L75 HydrophobicContact CD1-CD2 3.52Å; L46-L76 HydrophobicContact CB-CD2 4.2Å
47I93.4Very high95.1Very high27 Ų2758.9 Ų58.914%0.13830%0.295CS..G310 helixtrans-57.5-25.4173.7-169.258.2000113.5K44 K45 L76 I78 L99K44-I47 WeakPolarHBondContact O-CG2 3.32Å; K45-I47 PolarHBondContact O-N 3.02Å; I47-L76 HydrophobicContact CB-CD1 4.41Å; I47-L76 HydrophobicContact CD1-CD1 3.89Å; I47-I78 HydrophobicContact CD1-CD1 3.92Å; I47-L99 HydrophobicContact CD1-CB 3.76Å; I47-L99 HydrophobicContact CD1-CD1 4.27Å; I47-L99 HydrophobicContact CG1-CB 4Å
48H92.9Very high94.9Very high84 Ų8459.1 Ų59.139%0.38931%0.305SS..G310 helixtrans-82.5-29.3176.1-61.7-54.1000111.2K45 L46 N50 N53 S103K45-H48 WeakPolarHBondContact O-CB 3.41Å; K45-H48 PolarHBondContact O-N 3.35Å; L46-H48 PolarHBondContact O-N 2.93Å; L46-H48 VanDerWaalsContact O-N 3.11Å; H48-N50 PolarHBondContact O-N 3.08Å; H48-N50 VanDerWaalsContact O-N 3.16Å; H48-N50 PolarHBondContact O-ND2 3.16Å; H48-N50 VanDerWaalsContact O-ND2 3.16Å; H48-N53 PolarHBondContact O-ND2 3.08Å; H48-N53 PolarHBondContact O-OD1 3.44Å; H48-S103 PolarHBondContact NE2-OG 3.49Å; H48-S103 VanDerWaalsContact NE2-OG 3.09Å
49V94.6Very high94.9Very high8 Ų852.2 Ų52.25%0.04827%0.273CS..  trans-65.5111.1-171.6-1780000111.7F36 I41 L46 N53 L54 V72F36-V49 HydrophobicContact CE1-CG1 4.33Å; F36-V49 HydrophobicContact CE1-CG2 4.28Å; F36-V49 HydrophobicContact CZ-CG1 4.36Å; I41-V49 HydrophobicContact CG2-CG2 4.19Å; L46-V49 HydrophobicContact CD2-CG2 4.26Å; L46-V49 WeakPolarHBondContact O-CB 3.23Å; L46-V49 PolarHBondContact O-N 2.95Å; V49-N53 WeakPolarHBondContact CA-OD1 3.45Å; V49-L54 HydrophobicContact CG1-CD2 3.57Å; V49-L54 HydrophobicContact CG1-CG 4.07Å; V49-V72 HydrophobicContact CB-CG1 4.46Å; V49-V72 HydrophobicContact CB-CG2 4.18Å; V49-V72 HydrophobicContact CG1-CG2 3.96Å
50N92.7Very high94.9Very high67 Ų6753.9 Ų53.936%0.35829%0.286SS..SBendtrans-151.9174.5-179.363.342.8000111.2H48 N52 N53 L54H48-N50 PolarHBondContact O-N 3.08Å; H48-N50 VanDerWaalsContact O-N 3.16Å; H48-N50 PolarHBondContact O-ND2 3.16Å; H48-N50 VanDerWaalsContact O-ND2 3.16Å; N50-N52 PolarHBondContact O-N 2.82Å; N50-N52 WeakPolarHBondContact OD1-CA 3.36Å; N50-N52 VanDerWaalsContact OD1-CB 3.31Å; N50-N52 WeakPolarHBondContact OD1-CB 3.46Å; N50-N52 PolarHBondContact OD1-N 3Å; N50-N53 PolarHBondContact N-OD1 2.89Å; N50-N53 PolarHBondContact O-N 3.05Å; N50-N53 PolarHBondContact O-OD1 2.97Å; N50-N53 PolarHBondContact OD1-N 3.32Å; N50-L54 VanDerWaalsContact O-CG 3.25Å; N50-L54 WeakPolarHBondContact O-CG 3.24Å; N50-L54 PolarHBondContact O-N 2.8Å
51C92.2Very high95Very high48 Ų4850.7 Ų50.732%0.32428%0.275SS..THydrogen-bonded Turntrans-57.6-23.5-177.8-64.40000114.3M65 S69C51-M65 HydrophobicContact CB-CE 4.31Å; C51-M65 WeakPolarHBondContact O-CE 3.47Å; C51-S69 PolarHBondContact SG-OG 3.27Å; C51-S69 VanDerWaalsContact SG-OG 3.35Å
52N91.4Very high94.9Very high135 Ų13556.5 Ų56.572%0.72230%0.3SS*.THydrogen-bonded Turntrans-79.4-27.4179.1-170.941.6000113N50N50-N52 PolarHBondContact O-N 2.82Å; N50-N52 WeakPolarHBondContact OD1-CA 3.36Å; N50-N52 VanDerWaalsContact OD1-CB 3.31Å; N50-N52 WeakPolarHBondContact OD1-CB 3.46Å; N50-N52 PolarHBondContact OD1-N 3Å
53N94.1Very high94.9Very high33 Ų3363.9 Ų63.918%0.17632%0.323CS..THydrogen-bonded Turntrans-110.3-17.3-177.472.22.6000115H48 V49 N50 P55 K56 L57H48-N53 PolarHBondContact O-ND2 3.08Å; H48-N53 PolarHBondContact O-OD1 3.44Å; V49-N53 WeakPolarHBondContact CA-OD1 3.45Å; N50-N53 PolarHBondContact N-OD1 2.89Å; N50-N53 PolarHBondContact O-N 3.05Å; N50-N53 PolarHBondContact O-OD1 2.97Å; N50-N53 PolarHBondContact OD1-N 3.32Å; N53-P55 VanDerWaalsContact O-N 3.16Å; N53-K56 WeakPolarHBondContact O-CA 3.22Å; N53-K56 VanDerWaalsContact O-CB 3.28Å; N53-K56 WeakPolarHBondContact O-CB 3.41Å; N53-K56 PolarHBondContact O-N 3.02Å; N53-L57 VanDerWaalsContact O-CD1 3.32Å; N53-L57 WeakPolarHBondContact O-CD1 3.47Å; N53-L57 PolarHBondContact O-N 3.36Å
54L95.8Very high95Very high0 Ų065 Ų650%033%0.329CS..G310 helixtrans-48.1-39.5173.6-78.9167.4000113.8V49 N50 K56 L57 G58 I59 M65 V68V49-L54 HydrophobicContact CG1-CD2 3.57Å; V49-L54 HydrophobicContact CG1-CG 4.07Å; N50-L54 VanDerWaalsContact O-CG 3.25Å; N50-L54 WeakPolarHBondContact O-CG 3.24Å; N50-L54 PolarHBondContact O-N 2.8Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 3.47Å; L54-L57 WeakPolarHBondContact O-CA 3.32Å; L54-L57 WeakPolarHBondContact O-CB 3.33Å; L54-L57 PolarHBondContact O-N 3.44Å; L54-G58 PolarHBondContact O-N 3.1Å; L54-I59 CarbonylContact C-O 3.56Å; L54-I59 HydrophobicContact CB-CB 4.18Å; L54-I59 HydrophobicContact CB-CG2 4.49Å; L54-I59 HydrophobicContact CD2-CB 4.17Å; L54-I59 HydrophobicContact CD2-CD1 3.64Å; L54-I59 HydrophobicContact CD2-CG1 4.43Å; L54-I59 HydrophobicContact CD2-CG2 4.39Å; L54-I59 PolarHBondContact O-N 3.41Å; L54-M65 HydrophobicContact CB-CG 4.06Å; L54-M65 HydrophobicContact CD1-CB 4.09Å; L54-M65 HydrophobicContact CD1-CG 4.26Å; L54-M65 WeakPolarHBondContact CD1-O 3.47Å; L54-V68 HydrophobicContact CD1-CB 4.39Å; L54-V68 HydrophobicContact CD1-CG1 4.3Å; L54-V68 HydrophobicContact CD2-CG1 3.85Å
55P96.5Very high95.1Very high56 Ų5663.3 Ų63.336%0.36432%0.322SS..G310 helixtrans-59.7-34.7174.2-28.137.7000113.7N53 L57 G58 I59 T60 M65N53-P55 VanDerWaalsContact O-N 3.16Å; P55-L57 VanDerWaalsContact C-N 3.27Å; P55-L57 PolarHBondContact O-N 3.22Å; P55-G58 PolarHBondContact O-N 3.43Å; P55-G58 VanDerWaalsContact O-N 3.08Å; P55-I59 WeakPolarHBondContact CA-O 3.34Å; P55-T60 HydrophobicContact CB-CG2 4.26Å; P55-M65 HydrophobicContact CG-CE 3.72Å; P55-M65 HydrophobicContact CG-SD 4.11Å
56K94.8Very high95.1Very high169 Ų16963.1 Ų63.174%0.73533%0.325SS*.G310 helixtrans-71.2-22.6176.9-58.4179179.5178.10112.6N53 L54 G58N53-K56 WeakPolarHBondContact O-CA 3.22Å; N53-K56 VanDerWaalsContact O-CB 3.28Å; N53-K56 WeakPolarHBondContact O-CB 3.41Å; N53-K56 PolarHBondContact O-N 3.02Å; L54-K56 VanDerWaalsContact C-N 3.26Å; L54-K56 PolarHBondContact O-N 3.47Å; K56-G58 VanDerWaalsContact C-N 3.31Å
57L94.8Very high95.1Very high16 Ų1666.3 Ų66.38%0.08434%0.344CS..G310 helixtrans-82.4-7.1170.7-73.6101.2000112.9C35 N39 I41 N53 L54 P55C35-L57 WeakPolarHBondContact CB-O 3.46Å; C35-L57 PolarHBondContact SG-O 3.34Å; N39-L57 HydrophobicContact CB-CD2 4.42Å; I41-L57 HydrophobicContact CD1-CD2 3.68Å; I41-L57 HydrophobicContact CG1-CD2 3.49Å; I41-L57 VanDerWaalsContact CG1-CD2 3.49Å; N53-L57 VanDerWaalsContact O-CD1 3.32Å; N53-L57 WeakPolarHBondContact O-CD1 3.47Å; N53-L57 PolarHBondContact O-N 3.36Å; L54-L57 WeakPolarHBondContact O-CA 3.32Å; L54-L57 WeakPolarHBondContact O-CB 3.33Å; L54-L57 PolarHBondContact O-N 3.44Å; P55-L57 VanDerWaalsContact C-N 3.27Å; P55-L57 PolarHBondContact O-N 3.22Å
58G94.6Very high95.3Very high43 Ų4365.1 Ų65.144%0.44334%0.338SS..THydrogen-bonded Turntrans94.29.7-174.700000114.6L54 P55 K56L54-G58 PolarHBondContact O-N 3.1Å; P55-G58 PolarHBondContact O-N 3.43Å; P55-G58 VanDerWaalsContact O-N 3.08Å; K56-G58 VanDerWaalsContact C-N 3.31Å
59I96.4Very high95.4Very high0 Ų061.2 Ų61.20%032%0.32CS..  trans-101.497.7176.4-57173000108.4Y32 C35 F36 L54 P55 D64 M65Y32-I59 HydrophobicContact CD1-CD1 4.27Å; Y32-I59 HydrophobicContact CD1-CG1 3.66Å; Y32-I59 HydrophobicContact CD2-CD1 4.13Å; Y32-I59 HydrophobicContact CD2-CG1 4.16Å; Y32-I59 HydrophobicContact CD2-CG2 4.35Å; Y32-I59 HydrophobicContact CE1-CB 4.41Å; Y32-I59 HydrophobicContact CE1-CG1 3.92Å; Y32-I59 HydrophobicContact CE1-CG2 4.31Å; Y32-I59 HydrophobicContact CE2-CG1 4.42Å; Y32-I59 HydrophobicContact CE2-CG2 3.93Å; Y32-I59 HydrophobicContact CG-CD1 3.89Å; Y32-I59 HydrophobicContact CG-CG1 3.79Å; C35-I59 HydrophobicContact CB-CD1 4.44Å; C35-I59 HydrophobicContact CB-CG1 4.29Å; F36-I59 HydrophobicContact CD2-CD1 4.43Å; F36-I59 HydrophobicContact CE2-CD1 3.6Å; F36-I59 HydrophobicContact CZ-CD1 4.23Å; L54-I59 CarbonylContact C-O 3.56Å; L54-I59 HydrophobicContact CB-CB 4.18Å; L54-I59 HydrophobicContact CB-CG2 4.49Å; L54-I59 HydrophobicContact CD2-CB 4.17Å; L54-I59 HydrophobicContact CD2-CD1 3.64Å; L54-I59 HydrophobicContact CD2-CG1 4.43Å; L54-I59 HydrophobicContact CD2-CG2 4.39Å; L54-I59 PolarHBondContact O-N 3.41Å; P55-I59 WeakPolarHBondContact CA-O 3.34Å; I59-D64 HydrophobicContact CG2-CB 4.44Å; I59-M65 HydrophobicContact CG2-CG 4.04Å; I59-M65 WeakPolarHBondContact O-CG 3.3Å
60T96.8Very high95.4Very high105 Ų10562.7 Ų62.764%0.64433%0.333SS*.  trans-114.1-11.1-172.455.50000114.3P55 F62P55-T60 HydrophobicContact CB-CG2 4.26Å; T60-F62 PolarHBondContact O-N 3.34Å
61D97.7Very high95.5Very high74 Ų7461.1 Ų61.140%0.39633%0.327SS..  trans-69.3122173.1-179.9-84000109.7R63 D64 M65D61-R63 VanDerWaalsContact C-N 3.31Å; D61-R63 PolarHBondContact O-N 2.92Å; D61-R63 WeakPolarHBondContact OD1-CA 3.4Å; D61-R63 WeakPolarHBondContact OD1-CB 3.4Å; D61-R63 PolarHBondContact OD1-N 3.36Å; D61-D64 HydrophobicContact CB-CB 4.04Å; D61-D64 PolarHBondContact O-N 2.94Å; D61-D64 PolarHBondContact OD1-N 3.37Å; D61-M65 WeakPolarHBondContact O-CG 3.31Å; D61-M65 PolarHBondContact O-N 3.19Å
62F95.2Very high95.6Very high140 Ų14058.9 Ų58.961%0.61431%0.312SS*.Hα-helixtrans-61.7-37.8-173179-107000113T60 M65 L66T60-F62 PolarHBondContact O-N 3.34Å; F62-M65 PolarHBondContact O-N 3.36Å; F62-L66 HydrophobicContact CD1-CD1 4.14Å; F62-L66 HydrophobicContact CE1-CD1 3.56Å; F62-L66 HydrophobicContact CE1-CG 4.2Å; F62-L66 HydrophobicContact CE2-CD2 4.39Å; F62-L66 HydrophobicContact CE2-CG 4.43Å; F62-L66 HydrophobicContact CZ-CD1 3.83Å; F62-L66 HydrophobicContact CZ-CD2 4.14Å; F62-L66 HydrophobicContact CZ-CG 4.11Å; F62-L66 WeakPolarHBondContact O-CG 3.38Å; F62-L66 PolarHBondContact O-N 3.34Å; F62-L66 VanDerWaalsContact O-N 3.1Å
63R96.9Very high95.7Very high198 Ų19855.1 Ų55.175%0.74729%0.288SS*.Hα-helixtrans-69.8-43.1-179.4-65.6179.6176.6176.50.3110.2D61 M65 L66 V67D61-R63 VanDerWaalsContact C-N 3.31Å; D61-R63 PolarHBondContact O-N 2.92Å; D61-R63 WeakPolarHBondContact OD1-CA 3.4Å; D61-R63 WeakPolarHBondContact OD1-CB 3.4Å; D61-R63 PolarHBondContact OD1-N 3.36Å; R63-M65 VanDerWaalsContact C-N 3.3Å; R63-M65 PolarHBondContact O-N 3.23Å; R63-L66 PolarHBondContact O-N 2.77Å; R63-V67 WeakPolarHBondContact O-CG2 3.04Å; R63-V67 PolarHBondContact O-N 2.89Å; R63-V67 VanDerWaalsContact O-N 3.13Å
64D97.3Very high95.7Very high23 Ų2358.2 Ų58.212%0.12331%0.308CS..Hα-helixtrans-62.8-40.3175.6-65.9-16.6000111.2F29 K31 Y32 I59 D61 L66 V67 V68F29-D64 HydrophobicContact CD1-CB 4.48Å; F29-D64 HydrophobicContact CE1-CB 3.87Å; F29-D64 WeakPolarHBondContact CE1-OD1 3.45Å; K31-D64 VanDerWaalsContact CE-OD2 3.23Å; K31-D64 WeakPolarHBondContact CE-OD2 3.08Å; K31-D64 IonicContact NZ-OD1 2.77Å; K31-D64 IonicContact NZ-OD2 3.94Å; K31-D64 PolarHBondContact NZ-OD2 3.34Å; Y32-D64 HydrophobicContact CE2-CB 3.8Å; Y32-D64 WeakPolarHBondContact CE2-OD2 3.31Å; Y32-D64 PolarHBondContact OH-OD2 3.34Å; I59-D64 HydrophobicContact CG2-CB 4.44Å; D61-D64 HydrophobicContact CB-CB 4.04Å; D61-D64 PolarHBondContact O-N 2.94Å; D61-D64 PolarHBondContact OD1-N 3.37Å; D64-L66 VanDerWaalsContact C-N 3.33Å; D64-L66 PolarHBondContact O-N 2.63Å; D64-V67 PolarHBondContact O-N 3.28Å; D64-V68 WeakPolarHBondContact O-CB 3.41Å; D64-V68 VanDerWaalsContact O-CG2 3.26Å; D64-V68 WeakPolarHBondContact O-CG2 3.41Å; D64-V68 PolarHBondContact O-N 3.49Å
65M97.1Very high95.6Very high19 Ų1960.3 Ų60.39%0.09432%0.319CS..Hα-helixtrans-59.4-42.7176.1-71.516860.400112.5C51 L54 P55 I59 D61 F62 R63 S69C51-M65 HydrophobicContact CB-CE 4.31Å; C51-M65 WeakPolarHBondContact O-CE 3.47Å; L54-M65 HydrophobicContact CB-CG 4.06Å; L54-M65 HydrophobicContact CD1-CB 4.09Å; L54-M65 HydrophobicContact CD1-CG 4.26Å; L54-M65 WeakPolarHBondContact CD1-O 3.47Å; P55-M65 HydrophobicContact CG-CE 3.72Å; P55-M65 HydrophobicContact CG-SD 4.11Å; I59-M65 HydrophobicContact CG2-CG 4.04Å; I59-M65 WeakPolarHBondContact O-CG 3.3Å; D61-M65 WeakPolarHBondContact O-CG 3.31Å; D61-M65 PolarHBondContact O-N 3.19Å; F62-M65 PolarHBondContact O-N 3.36Å; R63-M65 VanDerWaalsContact C-N 3.3Å; R63-M65 PolarHBondContact O-N 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.46Å; M65-S69 PolarHBondContact O-N 3Å; M65-S69 PolarHBondContact O-OG 2.81Å
66L95.3Very high95.3Very high81 Ų8158 Ų5842%0.42430%0.303SS..Hα-helixtrans-61.9-50.8177.1-70.2177.8000111F62 R63 D64 S69 A70F62-L66 HydrophobicContact CD1-CD1 4.14Å; F62-L66 HydrophobicContact CE1-CD1 3.56Å; F62-L66 HydrophobicContact CE1-CG 4.2Å; F62-L66 HydrophobicContact CE2-CD2 4.39Å; F62-L66 HydrophobicContact CE2-CG 4.43Å; F62-L66 HydrophobicContact CZ-CD1 3.83Å; F62-L66 HydrophobicContact CZ-CD2 4.14Å; F62-L66 HydrophobicContact CZ-CG 4.11Å; F62-L66 WeakPolarHBondContact O-CG 3.38Å; F62-L66 PolarHBondContact O-N 3.34Å; F62-L66 VanDerWaalsContact O-N 3.1Å; R63-L66 PolarHBondContact O-N 2.77Å; D64-L66 VanDerWaalsContact C-N 3.33Å; D64-L66 PolarHBondContact O-N 2.63Å; L66-S69 PolarHBondContact O-N 2.76Å; L66-S69 PolarHBondContact O-OG 3.24Å; L66-A70 WeakPolarHBondContact O-CB 3.47Å; L66-A70 PolarHBondContact O-N 3.14Å
67V96.8Very high95.1Very high67 Ų6752 Ų5241%0.40629%0.29SS..Hα-helixtrans-66.9-48.3-176.5-179.20000111.4F29 R63 D64 S69 A70 C71F29-V67 HydrophobicContact CE2-CB 4.13Å; F29-V67 HydrophobicContact CE2-CG1 3.49Å; F29-V67 VanDerWaalsContact CE2-CG1 3.49Å; F29-V67 HydrophobicContact CZ-CB 3.67Å; F29-V67 HydrophobicContact CZ-CG1 3.51Å; R63-V67 WeakPolarHBondContact O-CG2 3.04Å; R63-V67 PolarHBondContact O-N 2.89Å; R63-V67 VanDerWaalsContact O-N 3.13Å; D64-V67 PolarHBondContact O-N 3.28Å; V67-S69 VanDerWaalsContact C-N 3.32Å; V67-S69 PolarHBondContact O-N 3.33Å; V67-A70 PolarHBondContact O-N 2.99Å; V67-A70 VanDerWaalsContact O-N 3.13Å; V67-C71 PolarHBondContact O-N 3.46Å; V67-C71 PolarHBondContact O-SG 3.24Å; V67-C71 VanDerWaalsContact O-SG 3.37Å
68V96.7Very high94.8Very high1 Ų152.7 Ų52.71%0.00629%0.293CS..Hα-helixtrans-59.1-45.5178.6171.90000110.4F29 F36 L54 D64 A70 C71 V72F29-V68 HydrophobicContact CD1-CG2 3.85Å; F29-V68 HydrophobicContact CD2-CG2 3.98Å; F29-V68 HydrophobicContact CE1-CG2 4Å; F29-V68 HydrophobicContact CE2-CG2 4.14Å; F29-V68 HydrophobicContact CG-CG2 3.84Å; F29-V68 HydrophobicContact CZ-CG2 4.15Å; F36-V68 HydrophobicContact CZ-CG1 4.14Å; L54-V68 HydrophobicContact CD1-CB 4.39Å; L54-V68 HydrophobicContact CD1-CG1 4.3Å; L54-V68 HydrophobicContact CD2-CG1 3.85Å; D64-V68 WeakPolarHBondContact O-CB 3.41Å; D64-V68 VanDerWaalsContact O-CG2 3.26Å; D64-V68 WeakPolarHBondContact O-CG2 3.41Å; D64-V68 PolarHBondContact O-N 3.49Å; V68-A70 VanDerWaalsContact C-N 3.3Å; V68-A70 PolarHBondContact O-N 3.23Å; V68-C71 PolarHBondContact O-N 2.6Å; V68-V72 WeakPolarHBondContact O-CG2 3.25Å; V68-V72 PolarHBondContact O-N 3.11Å
69S95.3Very high94.2Very high2 Ų255.3 Ų55.31%0.01430%0.3CS..Hα-helixtrans-62.5-37178.378.50000112.5C51 M65 L66 V67 V72 R73C51-S69 PolarHBondContact SG-OG 3.27Å; C51-S69 VanDerWaalsContact SG-OG 3.35Å; M65-S69 WeakPolarHBondContact O-CB 3.46Å; M65-S69 PolarHBondContact O-N 3Å; M65-S69 PolarHBondContact O-OG 2.81Å; L66-S69 PolarHBondContact O-N 2.76Å; L66-S69 PolarHBondContact O-OG 3.24Å; V67-S69 VanDerWaalsContact C-N 3.32Å; V67-S69 PolarHBondContact O-N 3.33Å; S69-V72 PolarHBondContact O-N 3.4Å; S69-R73 WeakPolarHBondContact O-CG 3.22Å; S69-R73 PolarHBondContact O-N 2.85Å; S69-R73 VanDerWaalsContact O-N 3.08Å; S69-R73 PolarHBondContact O-NH1 2.97Å; S69-R73 PolarHBondContact OG-NH1 3.41Å
70A94.2Very high93.3Very high39 Ų3961.3 Ų61.332%0.32233%0.329SS..Hα-helixtrans-68.9-43.9177.300000111.2L66 V67 V68 V72 R73 V74L66-A70 WeakPolarHBondContact O-CB 3.47Å; L66-A70 PolarHBondContact O-N 3.14Å; V67-A70 PolarHBondContact O-N 2.99Å; V67-A70 VanDerWaalsContact O-N 3.13Å; V68-A70 VanDerWaalsContact C-N 3.3Å; V68-A70 PolarHBondContact O-N 3.23Å; A70-V72 VanDerWaalsContact C-N 3.31Å; A70-V72 PolarHBondContact O-N 2.95Å; A70-R73 PolarHBondContact O-N 2.76Å; A70-R73 VanDerWaalsContact O-N 3.15Å; A70-V74 WeakPolarHBondContact O-CG2 3.42Å; A70-V74 PolarHBondContact O-N 3.29Å
71C95.8Very high92.2Very high34 Ų3460.1 Ų60.123%0.2332%0.322CS..Hα-helixtrans-60-40.3174.4-69.40000112W23 I27 V67 V68 V74 L75W23-C71 HydrophobicContact CH2-CB 4.33Å; W23-C71 HydrophobicContact CZ2-CB 4.01Å; I27-C71 HydrophobicContact CD1-CB 3.78Å; I27-C71 HydrophobicContact CG2-CB 4.48Å; V67-C71 PolarHBondContact O-N 3.46Å; V67-C71 PolarHBondContact O-SG 3.24Å; V67-C71 VanDerWaalsContact O-SG 3.37Å; V68-C71 PolarHBondContact O-N 2.6Å; C71-V74 PolarHBondContact O-N 3.26Å; C71-L75 WeakPolarHBondContact O-CB 3.38Å; C71-L75 PolarHBondContact O-N 3.16Å
72V95.3Very high90.9Very high2 Ų259.2 Ų59.21%0.01232%0.32CS..Hα-helixtrans-59.4-48.5172.81700000110.6W23 L46 V49 V68 S69 A70 V74 L75 L76W23-V72 HydrophobicContact CH2-CB 4.48Å; W23-V72 HydrophobicContact CH2-CG2 3.65Å; W23-V72 HydrophobicContact CZ3-CG2 4.23Å; L46-V72 WeakPolarHBondContact O-CG1 3.46Å; V49-V72 HydrophobicContact CB-CG1 4.46Å; V49-V72 HydrophobicContact CB-CG2 4.18Å; V49-V72 HydrophobicContact CG1-CG2 3.96Å; V68-V72 WeakPolarHBondContact O-CG2 3.25Å; V68-V72 PolarHBondContact O-N 3.11Å; S69-V72 PolarHBondContact O-N 3.4Å; A70-V72 VanDerWaalsContact C-N 3.31Å; A70-V72 PolarHBondContact O-N 2.95Å; V72-V74 VanDerWaalsContact C-N 3.32Å; V72-V74 PolarHBondContact O-N 2.92Å; V72-L75 PolarHBondContact O-N 3.35Å; V72-L76 HydrophobicContact CG1-CD1 3.57Å; V72-L76 HydrophobicContact CG1-CG 4.12Å; V72-L76 WeakPolarHBondContact O-CB 3.44Å; V72-L76 VanDerWaalsContact O-CG 3.23Å; V72-L76 WeakPolarHBondContact O-CG 3.42Å; V72-L76 PolarHBondContact O-N 3.35Å
73R92.8Very high89.6Confident55 Ų5564.4 Ų64.421%0.20834%0.335CS..Hα-helixtrans-59-42.9178.9-72.1-169.5-63.9-80.824.6112.4S69 A70 L76 G77 I78 E80S69-R73 WeakPolarHBondContact O-CG 3.22Å; S69-R73 PolarHBondContact O-N 2.85Å; S69-R73 VanDerWaalsContact O-N 3.08Å; S69-R73 PolarHBondContact O-NH1 2.97Å; S69-R73 PolarHBondContact OG-NH1 3.41Å; A70-R73 PolarHBondContact O-N 2.76Å; A70-R73 VanDerWaalsContact O-N 3.15Å; R73-L76 PolarHBondContact O-N 2.85Å; R73-G77 PolarHBondContact O-N 3.18Å; R73-I78 HydrophobicContact CB-CG1 4.29Å; R73-I78 HydrophobicContact CG-CG1 4.2Å; R73-I78 PolarHBondContact O-N 2.89Å; R73-I78 VanDerWaalsContact O-N 3.1Å; R73-E80 IonicContact CZ-OE2 3.92Å; R73-E80 IonicContact NE-OE2 2.78Å; R73-E80 IonicContact NH2-OE1 2.62Å; R73-E80 IonicContact NH2-OE2 3.92Å; R73-E80 PolarHBondContact NH2-OE2 3.18Å
74V92.8Very high88.6Confident99 Ų9960.1 Ų60.160%0.633%0.327SS*.Hα-helixtrans-62.1-45.8175.8172.50000111.5A70 C71 V72 L76 G77A70-V74 WeakPolarHBondContact O-CG2 3.42Å; A70-V74 PolarHBondContact O-N 3.29Å; C71-V74 PolarHBondContact O-N 3.26Å; V72-V74 VanDerWaalsContact C-N 3.32Å; V72-V74 PolarHBondContact O-N 2.92Å; V74-L76 VanDerWaalsContact C-N 3.34Å; V74-L76 PolarHBondContact O-N 3.28Å; V74-G77 PolarHBondContact O-N 3.25Å
75L93.6Very high87.5Confident43 Ų4361.8 Ų61.823%0.22534%0.336CS..Hα-helixtrans-61.5-42.8178.317667.5000112.1F12 W15 W23 L46 C71 V72 G77F12-L75 HydrophobicContact CB-CD1 4.35Å; F12-L75 HydrophobicContact CB-CD2 4.41Å; F12-L75 HydrophobicContact CB-CG 4.44Å; F12-L75 HydrophobicContact CD1-CD1 4.47Å; F12-L75 HydrophobicContact CD1-CG 4.4Å; F12-L75 HydrophobicContact CG-CG 4.45Å; W15-L75 HydrophobicContact CH2-CD1 3.79Å; W15-L75 HydrophobicContact CH2-CD2 4.12Å; W15-L75 HydrophobicContact CZ3-CD1 4.25Å; W15-L75 HydrophobicContact CZ3-CD2 3.71Å; W23-L75 HydrophobicContact CD2-CD2 3.99Å; W23-L75 HydrophobicContact CE3-CD2 4.41Å; W23-L75 HydrophobicContact CG-CD2 4.49Å; W23-L75 HydrophobicContact CH2-CD2 4.33Å; W23-L75 HydrophobicContact CZ2-CB 4.1Å; W23-L75 HydrophobicContact CZ2-CD2 3.86Å; L46-L75 HydrophobicContact CD1-CD2 3.52Å; C71-L75 WeakPolarHBondContact O-CB 3.38Å; C71-L75 PolarHBondContact O-N 3.16Å; V72-L75 PolarHBondContact O-N 3.35Å; L75-G77 PolarHBondContact O-N 3.12Å
76L91.8Very high86.5Confident7 Ų764 Ų644%0.03735%0.353CS..Hα-helixtrans-75.6-13.8-179.3-62.4177000112.7F12 L46 I47 V72 R73 V74 I78 L99F12-L76 HydrophobicContact CD2-CD2 3.92Å; F12-L76 HydrophobicContact CE1-CD2 4.3Å; F12-L76 HydrophobicContact CE2-CD2 3.29Å; F12-L76 HydrophobicContact CZ-CD2 3.51Å; L46-L76 HydrophobicContact CB-CD2 4.2Å; I47-L76 HydrophobicContact CB-CD1 4.41Å; I47-L76 HydrophobicContact CD1-CD1 3.89Å; V72-L76 HydrophobicContact CG1-CD1 3.57Å; V72-L76 HydrophobicContact CG1-CG 4.12Å; V72-L76 WeakPolarHBondContact O-CB 3.44Å; V72-L76 VanDerWaalsContact O-CG 3.23Å; V72-L76 WeakPolarHBondContact O-CG 3.42Å; V72-L76 PolarHBondContact O-N 3.35Å; R73-L76 PolarHBondContact O-N 2.85Å; V74-L76 VanDerWaalsContact C-N 3.34Å; V74-L76 PolarHBondContact O-N 3.28Å; L76-I78 VanDerWaalsContact C-N 3.25Å; L76-I78 HydrophobicContact CB-CD1 4.11Å; L76-I78 HydrophobicContact CB-CG1 3.94Å; L76-I78 HydrophobicContact CB-CG2 4.06Å; L76-I78 HydrophobicContact CD1-CD1 3.71Å; L76-I78 HydrophobicContact CD1-CG1 4.38Å; L76-I78 PolarHBondContact O-N 3.1Å; L76-L99 HydrophobicContact CB-CD1 3.96Å; L76-L99 HydrophobicContact CD2-CD1 4.24Å
77G89.7Confident85.5Confident44 Ų4468.3 Ų68.345%0.45438%0.375SS..THydrogen-bonded Turntrans65.329.1-174.100000113.1R73 V74 L75R73-G77 PolarHBondContact O-N 3.18Å; V74-G77 PolarHBondContact O-N 3.25Å; L75-G77 PolarHBondContact O-N 3.12Å
78I88.3Confident84.7Confident30 Ų3069.5 Ų69.515%0.15439%0.392CS..  trans-110152.7-178.768.7-179.8000111I47 R73 L76 V95 A96 L99I47-I78 HydrophobicContact CD1-CD1 3.92Å; R73-I78 HydrophobicContact CB-CG1 4.29Å; R73-I78 HydrophobicContact CG-CG1 4.2Å; R73-I78 PolarHBondContact O-N 2.89Å; R73-I78 VanDerWaalsContact O-N 3.1Å; L76-I78 VanDerWaalsContact C-N 3.25Å; L76-I78 HydrophobicContact CB-CD1 4.11Å; L76-I78 HydrophobicContact CB-CG1 3.94Å; L76-I78 HydrophobicContact CB-CG2 4.06Å; L76-I78 HydrophobicContact CD1-CD1 3.71Å; L76-I78 HydrophobicContact CD1-CG1 4.38Å; L76-I78 PolarHBondContact O-N 3.1Å; I78-V95 HydrophobicContact CG2-CB 4.36Å; I78-V95 HydrophobicContact CG2-CG1 3.97Å; I78-A96 HydrophobicContact CB-CB 4.16Å; I78-A96 HydrophobicContact CG2-CB 3.71Å; I78-L99 HydrophobicContact CG2-CD1 3.91Å
79T82.2Confident83.5Confident98 Ų9873.1 Ų73.160%0.60141%0.411SS*.  trans-90.8150.6175.154.90000111.5D93T79-D93 PolarHBondContact N-OD2 2.85Å; T79-D93 PolarHBondContact OG1-OD2 2.92Å
80E78Confident82.2Confident126 Ų12677.6 Ų77.659%0.58944%0.44SS*.  trans-67135.4166.5-172.9163.2-166.900108.7R73 P82R73-E80 IonicContact CZ-OE2 3.92Å; R73-E80 IonicContact NE-OE2 2.78Å; R73-E80 IonicContact NH2-OE1 2.62Å; R73-E80 IonicContact NH2-OE2 3.92Å; R73-E80 PolarHBondContact NH2-OE2 3.18Å; E80-P82 WeakPolarHBondContact O-CD 3.35Å
81T72.9Confident80.7Confident81 Ų8185.7 Ų85.750%0.49746%0.462SS..  trans-56.3114.6175.9-56.50000108.8R91T81-R91 PolarHBondContact OG1-O 3.04Å
82P70.4Confident79.5Confident55 Ų5589.2 Ų89.236%0.35747%0.471SS..  trans-60.2141.2179.1-22.933000110.9E80 N84 N85E80-P82 WeakPolarHBondContact O-CD 3.35Å; P82-N84 WeakPolarHBondContact CB-OD1 3.45Å; P82-N84 PolarHBondContact O-N 3.04Å; P82-N84 VanDerWaalsContact O-N 3.14Å; P82-N85 WeakPolarHBondContact CB-OD1 3.41Å; P82-N85 WeakPolarHBondContact CD-OD1 3.19Å; P82-N85 WeakPolarHBondContact CG-OD1 3.18Å; P82-N85 PolarHBondContact O-N 2.77Å
83W69.4Low78.8Confident249 Ų24991.3 Ų91.394%0.94348%0.482SS*.THydrogen-bonded Turntrans-63.8-17.4177.560.7-94.2000112.9
84N75.9Confident78.6Confident107 Ų10791.5 Ų91.557%0.57249%0.489SS*.THydrogen-bonded Turntrans-100.811.8-178.868.2-26.5000113.9P82 S86P82-N84 WeakPolarHBondContact CB-OD1 3.45Å; P82-N84 PolarHBondContact O-N 3.04Å; P82-N84 VanDerWaalsContact O-N 3.14Å; N84-S86 PolarHBondContact O-N 3.2Å
85N72.4Confident78.4Confident59 Ų5988.3 Ų88.332%0.31647%0.47SS..  trans-64130.4174-83.611.8000110.7P82P82-N85 WeakPolarHBondContact CB-OD1 3.41Å; P82-N85 WeakPolarHBondContact CD-OD1 3.19Å; P82-N85 WeakPolarHBondContact CG-OD1 3.18Å; P82-N85 PolarHBondContact O-N 2.77Å
86S78.1Confident78.2Confident65 Ų6586.4 Ų86.446%0.45546%0.461SS..  trans-65.7152.9170-176.60000109.9N84 A88 D89N84-S86 PolarHBondContact O-N 3.2Å; S86-A88 PolarHBondContact O-N 3.04Å; S86-A88 PolarHBondContact OG-N 3.05Å; S86-D89 WeakPolarHBondContact CB-OD2 3.37Å; S86-D89 PolarHBondContact N-OD2 2.89Å; S86-D89 WeakPolarHBondContact O-CB 3.16Å; S86-D89 PolarHBondContact O-N 3Å
87I74.3Confident78.1Confident172 Ų17288.6 Ų88.688%0.88247%0.472SS*.THydrogen-bonded Turntrans-62-24.3169.7-63171.7000110.8D89I87-D89 VanDerWaalsContact C-N 3.34Å
88A79Confident78.3Confident91 Ų9186.7 Ų86.775%0.75245%0.451SS*.THydrogen-bonded Turntrans-76.9-19.3174.800000113.3S86S86-A88 PolarHBondContact O-N 3.04Å; S86-A88 PolarHBondContact OG-N 3.05Å
89D71Confident78.5Confident77 Ų7785.4 Ų85.441%0.41245%0.445SS..SBendtrans-80.2146.5178.6-61.8-37.7000110.1S86 I87 R91S86-D89 WeakPolarHBondContact CB-OD2 3.37Å; S86-D89 PolarHBondContact N-OD2 2.89Å; S86-D89 WeakPolarHBondContact O-CB 3.16Å; S86-D89 PolarHBondContact O-N 3Å; I87-D89 VanDerWaalsContact C-N 3.34Å; D89-R91 PolarHBondContact O-N 3.04Å
90P67.8Low78.9Confident97 Ų9784.3 Ų84.363%0.6343%0.433SS*.  trans-53129.6170.3-23.832.9000110.4R92P90-R92 PolarHBondContact O-N 3.39Å
91R62.8Low79.6Confident208 Ų20879.7 Ų79.779%0.78541%0.413SS*.SBendtrans-59.8-21.4-177.9-71-177.7178.8-102.90.6113.4T81 D89T81-R91 PolarHBondContact OG1-O 3.04Å; D89-R91 PolarHBondContact O-N 3.04Å
92R71Confident80.5Confident109 Ų10976.9 Ų76.941%0.41139%0.394SS..SBendtrans-144.9150.7-172.8-64.4-170.6178.4146.3-0.1110.5P90 A96 L97 E100P90-R92 PolarHBondContact O-N 3.39Å; R92-A96 HydrophobicContact CB-CB 3.91Å; R92-A96 HydrophobicContact CG-CB 4.47Å; R92-L97 HydrophobicContact CB-CD2 4.1Å; R92-L97 HydrophobicContact CB-CG 4.15Å; R92-E100 IonicContact CZ-OE1 2.76Å; R92-E100 IonicContact CZ-OE2 3.9Å; R92-E100 IonicContact NH1-OE1 3.46Å; R92-E100 PolarHBondContact NH1-OE1 3.14Å; R92-E100 IonicContact NH1-OE2 3.71Å; R92-E100 PolarHBondContact NH1-OE2 3.23Å
93D81.8Confident81.6Confident45 Ų4575.4 Ų75.424%0.24139%0.385CS..  trans-63.7158.8169.262.955.1000111.4T79 V95 A96 L97T79-D93 PolarHBondContact N-OD2 2.85Å; T79-D93 PolarHBondContact OG1-OD2 2.92Å; D93-V95 PolarHBondContact O-N 2.78Å; D93-V95 WeakPolarHBondContact OD1-CB 3.49Å; D93-V95 PolarHBondContact OD1-N 3.16Å; D93-A96 PolarHBondContact O-N 2.67Å; D93-A96 VanDerWaalsContact O-N 3.14Å; D93-A96 VanDerWaalsContact OD1-CB 3.3Å; D93-A96 WeakPolarHBondContact OD1-CB 3.42Å; D93-A96 PolarHBondContact OD1-N 2.98Å; D93-L97 PolarHBondContact O-N 3.43Å
94T87.6Confident82.6Confident59 Ų5971.9 Ų71.936%0.36237%0.371SS..Hα-helixtrans-61.1-30-175.548.80000112.7F98 Y114 F117 L118 L121T94-F98 WeakPolarHBondContact O-CB 3.42Å; T94-F98 PolarHBondContact O-N 3.45Å; T94-Y114 PolarHBondContact OG1-OH 3.01Å; T94-Y114 VanDerWaalsContact OG1-OH 3.05Å; T94-F117 WeakPolarHBondContact O-CE1 3.43Å; T94-L118 HydrophobicContact CG2-CD2 4.37Å; T94-L121 HydrophobicContact CG2-CD1 4.04Å
95V89.6Confident83Confident32 Ų3273 Ų7319%0.19438%0.383CS..Hα-helixtrans-67.1-48.7175.2177.90000110M10 I78 D93 L97 F98 L99 Y114M10-V95 HydrophobicContact CE-CG1 4.35Å; I78-V95 HydrophobicContact CG2-CB 4.36Å; I78-V95 HydrophobicContact CG2-CG1 3.97Å; D93-V95 PolarHBondContact O-N 2.78Å; D93-V95 WeakPolarHBondContact OD1-CB 3.49Å; D93-V95 PolarHBondContact OD1-N 3.16Å; V95-L97 VanDerWaalsContact C-N 3.31Å; V95-L97 PolarHBondContact O-N 3.42Å; V95-F98 WeakPolarHBondContact O-CB 3.35Å; V95-F98 PolarHBondContact O-N 3.09Å; V95-F98 VanDerWaalsContact O-N 3.16Å; V95-L99 HydrophobicContact CG1-CD1 3.9Å; V95-L99 HydrophobicContact CG1-CG 4.25Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 3.31Å; V95-Y114 HydrophobicContact CG2-CE2 4.32Å
96A89.1Confident83.8Confident4 Ų471.6 Ų71.63%0.03338%0.381CS..Hα-helixtrans-61.3-38.7177.500000112.2I78 R92 D93 L99 E100I78-A96 HydrophobicContact CB-CB 4.16Å; I78-A96 HydrophobicContact CG2-CB 3.71Å; R92-A96 HydrophobicContact CB-CB 3.91Å; R92-A96 HydrophobicContact CG-CB 4.47Å; D93-A96 PolarHBondContact O-N 2.67Å; D93-A96 VanDerWaalsContact O-N 3.14Å; D93-A96 VanDerWaalsContact OD1-CB 3.3Å; D93-A96 WeakPolarHBondContact OD1-CB 3.42Å; D93-A96 PolarHBondContact OD1-N 2.98Å; A96-L99 PolarHBondContact O-N 2.89Å; A96-E100 PolarHBondContact O-N 2.78Å
97L89.7Confident84.4Confident52 Ų5277.8 Ų77.827%0.27240%0.4SS..Hα-helixtrans-63.3-45.4173.2-66.2173.3000111.7R92 D93 V95 L99 E100 V101 F117R92-L97 HydrophobicContact CB-CD2 4.1Å; R92-L97 HydrophobicContact CB-CG 4.15Å; D93-L97 PolarHBondContact O-N 3.43Å; V95-L97 VanDerWaalsContact C-N 3.31Å; V95-L97 PolarHBondContact O-N 3.42Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.93Å; L97-E100 PolarHBondContact O-N 2.91Å; L97-V101 PolarHBondContact O-N 3.38Å; L97-F117 HydrophobicContact CB-CE1 4.12Å; L97-F117 HydrophobicContact CB-CZ 3.7Å
98F92.3Very high85.2Confident5 Ų576.2 Ų76.22%0.02238%0.383CS..Hα-helixtrans-60-44.3175.5174.6-107000112.2M10 T94 V95 E100 V101 K102 L112 Y114 F117M10-F98 HydrophobicContact CE-CD1 3.85Å; M10-F98 HydrophobicContact CE-CE1 3.93Å; M10-F98 HydrophobicContact SD-CD1 3.77Å; M10-F98 HydrophobicContact SD-CE1 3.38Å; M10-F98 WeakPolarHBondContact SD-CE1 3.44Å; T94-F98 WeakPolarHBondContact O-CB 3.42Å; T94-F98 PolarHBondContact O-N 3.45Å; V95-F98 WeakPolarHBondContact O-CB 3.35Å; V95-F98 PolarHBondContact O-N 3.09Å; V95-F98 VanDerWaalsContact O-N 3.16Å; F98-E100 VanDerWaalsContact C-N 3.3Å; F98-E100 PolarHBondContact O-N 3.25Å; F98-V101 WeakPolarHBondContact O-CB 3.43Å; F98-V101 PolarHBondContact O-N 2.97Å; F98-V101 VanDerWaalsContact O-N 3.14Å; F98-K102 HydrophobicContact CD1-CG 4.13Å; F98-K102 HydrophobicContact CE1-CD 4.42Å; F98-K102 HydrophobicContact CE1-CG 3.62Å; F98-K102 HydrophobicContact CE2-CG 4.09Å; F98-K102 HydrophobicContact CZ-CD 4.06Å; F98-K102 HydrophobicContact CZ-CG 3.65Å; F98-K102 PolarHBondContact O-N 3.24Å; F98-L112 HydrophobicContact CD2-CD2 4.48Å; F98-L112 HydrophobicContact CE2-CD2 4.27Å; F98-L112 HydrophobicContact CE2-CG 4.23Å; F98-Y114 HydrophobicContact CB-CD2 3.81Å; F98-Y114 HydrophobicContact CB-CE2 3.99Å; F98-Y114 AromaticContact CD1-CD2 3.87Å; F98-Y114 HydrophobicContact CD1-CD2 3.87Å; F98-Y114 HydrophobicContact CD2-CD2 4.02Å; F98-Y114 HydrophobicContact CE1-CD2 4.43Å; F98-Y114 AromaticContact CG-CD2 3.62Å; F98-Y114 HydrophobicContact CG-CD2 3.62Å; F98-Y114 HydrophobicContact CG-CE2 4.3Å; F98-F117 HydrophobicContact CB-CD1 3.68Å; F98-F117 HydrophobicContact CB-CE1 3.78Å; F98-F117 HydrophobicContact CB-CG 4.16Å; F98-F117 HydrophobicContact CB-CZ 4.37Å; F98-F117 HydrophobicContact CD2-CB 3.56Å; F98-F117 AromaticContact CD2-CD1 3.96Å; F98-F117 HydrophobicContact CD2-CD1 3.96Å; F98-F117 HydrophobicContact CD2-CD2 4.2Å; F98-F117 AromaticContact CD2-CG 3.64Å; F98-F117 HydrophobicContact CD2-CG 3.64Å; F98-F117 HydrophobicContact CE2-CB 4.04Å; F98-F117 HydrophobicContact CG-CD1 4.27Å; F98-F117 HydrophobicContact CG-CG 4.38Å
99L92.6Very high85.7Confident3 Ų372.3 Ų72.32%0.01635%0.35CS..Hα-helixtrans-66.4-32.7-179.7-68.4176.8000112.3M10 F12 L13 I47 L76 I78 V95 A96 L97 V101 K102 S103M10-L99 HydrophobicContact SD-CD2 3.94Å; F12-L99 HydrophobicContact CE2-CD2 4.05Å; F12-L99 HydrophobicContact CZ-CD1 4.03Å; F12-L99 HydrophobicContact CZ-CD2 3.64Å; L13-L99 HydrophobicContact CD1-CD2 4.29Å; L13-L99 HydrophobicContact CD2-CD2 4.06Å; L13-L99 HydrophobicContact CG-CD2 4.47Å; I47-L99 HydrophobicContact CD1-CB 3.76Å; I47-L99 HydrophobicContact CD1-CD1 4.27Å; I47-L99 HydrophobicContact CG1-CB 4Å; L76-L99 HydrophobicContact CB-CD1 3.96Å; L76-L99 HydrophobicContact CD2-CD1 4.24Å; I78-L99 HydrophobicContact CG2-CD1 3.91Å; V95-L99 HydrophobicContact CG1-CD1 3.9Å; V95-L99 HydrophobicContact CG1-CG 4.25Å; V95-L99 WeakPolarHBondContact O-CB 3.48Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.43Å; V95-L99 PolarHBondContact O-N 3.31Å; A96-L99 PolarHBondContact O-N 2.89Å; L97-L99 VanDerWaalsContact C-N 3.34Å; L97-L99 PolarHBondContact O-N 2.93Å; L99-V101 VanDerWaalsContact C-N 3.34Å; L99-K102 CarbonylContact O-C 3.56Å; L99-K102 PolarHBondContact O-N 3.36Å; L99-S103 PolarHBondContact O-N 3.38Å
100E91.9Very high86.5Confident74 Ų7472.4 Ų72.435%0.34635%0.35SS..Hα-helixtrans-64.6-38.1171.7-177.4167.8-139.900112R92 A96 L97 F98 S103R92-E100 IonicContact CZ-OE1 2.76Å; R92-E100 IonicContact CZ-OE2 3.9Å; R92-E100 IonicContact NH1-OE1 3.46Å; R92-E100 PolarHBondContact NH1-OE1 3.14Å; R92-E100 IonicContact NH1-OE2 3.71Å; R92-E100 PolarHBondContact NH1-OE2 3.23Å; A96-E100 PolarHBondContact O-N 2.78Å; L97-E100 PolarHBondContact O-N 2.91Å; F98-E100 VanDerWaalsContact C-N 3.3Å; F98-E100 PolarHBondContact O-N 3.25Å; E100-S103 PolarHBondContact O-N 3.22Å; E100-S103 PolarHBondContact O-OG 3.24Å; E100-S103 VanDerWaalsContact O-OG 3.12Å
101V92.4Very high87.6Confident29 Ų2971.4 Ų71.418%0.17635%0.346CS..Hα-helixtrans-65.6-42.5171.5177.80000110.8L97 F98 L99 S103 R104 W108 T109 L112 F117L97-V101 PolarHBondContact O-N 3.38Å; F98-V101 WeakPolarHBondContact O-CB 3.43Å; F98-V101 PolarHBondContact O-N 2.97Å; F98-V101 VanDerWaalsContact O-N 3.14Å; L99-V101 VanDerWaalsContact C-N 3.34Å; V101-S103 VanDerWaalsContact C-N 3.27Å; V101-S103 PolarHBondContact O-N 3.14Å; V101-R104 PolarHBondContact O-N 3.25Å; V101-W108 HydrophobicContact CG1-CH2 3.98Å; V101-W108 HydrophobicContact CG1-CZ3 3.58Å; V101-T109 HydrophobicContact CG1-CG2 3.97Å; V101-L112 HydrophobicContact CG1-CD2 3.72Å; V101-F117 HydrophobicContact CG2-CE2 4.03Å
102K92.5Very high89Confident23 Ų2361.7 Ų61.710%0.131%0.309CS..Hα-helixtrans-68.3-20.7178.8-76-65.4-171.6-176.30114.6L13 F98 L99 R104 T109 N110 L112L13-K102 HydrophobicContact CD1-CB 4.27Å; L13-K102 HydrophobicContact CD1-CD 4.37Å; L13-K102 HydrophobicContact CD1-CG 4.07Å; L13-K102 HydrophobicContact CD2-CB 4.05Å; F98-K102 HydrophobicContact CD1-CG 4.13Å; F98-K102 HydrophobicContact CE1-CD 4.42Å; F98-K102 HydrophobicContact CE1-CG 3.62Å; F98-K102 HydrophobicContact CE2-CG 4.09Å; F98-K102 HydrophobicContact CZ-CD 4.06Å; F98-K102 HydrophobicContact CZ-CG 3.65Å; F98-K102 PolarHBondContact O-N 3.24Å; L99-K102 CarbonylContact O-C 3.56Å; L99-K102 PolarHBondContact O-N 3.36Å; K102-R104 PolarHBondContact O-N 3.24Å; K102-T109 WeakPolarHBondContact CD-O 3.45Å; K102-T109 WeakPolarHBondContact CE-O 2.95Å; K102-T109 PolarHBondContact NZ-O 3.49Å; K102-N110 PolarHBondContact NZ-O 3.2Å; K102-L112 WeakPolarHBondContact CE-O 3.42Å; K102-L112 PolarHBondContact NZ-O 2.78Å
103S91.8Very high90Very high23 Ų2359.5 Ų59.516%0.16131%0.308CS..Hα-helixtrans-66.6-26.7176.995.90000112.3K44 H48 L99 E100 V101K44-S103 WeakPolarHBondContact O-CB 3.33Å; H48-S103 PolarHBondContact NE2-OG 3.49Å; H48-S103 VanDerWaalsContact NE2-OG 3.09Å; L99-S103 PolarHBondContact O-N 3.38Å; E100-S103 PolarHBondContact O-N 3.22Å; E100-S103 PolarHBondContact O-OG 3.24Å; E100-S103 VanDerWaalsContact O-OG 3.12Å; V101-S103 VanDerWaalsContact C-N 3.27Å; V101-S103 PolarHBondContact O-N 3.14Å
104R90.8Very high90.4Very high175 Ų17560.6 Ų60.666%0.6631%0.31SS*.SBendtrans-81.9139.4-178.8-55.9171.772.5104.2-1.3111V101 K102 T109V101-R104 PolarHBondContact O-N 3.25Å; K102-R104 PolarHBondContact O-N 3.24Å; R104-T109 HydrophobicContact CB-CG2 4.26Å; R104-T109 PolarHBondContact O-OG1 3.21Å
105T85.4Confident90.5Very high132 Ų13265.5 Ų65.581%0.8133%0.328SS*.  trans-84.6124.3173.9-53.20000110.6
106G89.6Confident90.6Very high28 Ų2868.4 Ų68.429%0.28934%0.34SS..SBendtrans-179.8155.4176.400000111.8W108 T109 N110G106-W108 VanDerWaalsContact C-N 3.34Å; G106-W108 PolarHBondContact O-N 3.45Å; G106-T109 PolarHBondContact N-OG1 3Å; G106-T109 VanDerWaalsContact N-OG1 3.12Å; G106-T109 PolarHBondContact O-N 3.47Å; G106-T109 PolarHBondContact O-OG1 3.3Å; G106-T109 VanDerWaalsContact O-OG1 3.08Å; G106-N110 VanDerWaalsContact O-CB 3.24Å; G106-N110 WeakPolarHBondContact O-CB 3.44Å; G106-N110 PolarHBondContact O-N 3.16Å; G106-N110 PolarHBondContact O-ND2 3.12Å; G106-N110 VanDerWaalsContact O-ND2 3.15Å
107K89.2Confident90.7Very high195 Ų19569.1 Ų69.185%0.84834%0.342SS*.Hα-helixtrans-57.6-48-179.4-173.6179.7179.3-177.70111.4S111K107-S111 PolarHBondContact O-N 3.32Å; K107-S111 VanDerWaalsContact O-N 3.16Å; K107-S111 PolarHBondContact O-OG 2.64Å
108W90.6Very high90.7Very high139 Ų13969.2 Ų69.253%0.52734%0.343SS..Hα-helixtrans-65.4-48.8179.117682.9000112.6V101 G106 N110 S111 L112V101-W108 HydrophobicContact CG1-CH2 3.98Å; V101-W108 HydrophobicContact CG1-CZ3 3.58Å; G106-W108 VanDerWaalsContact C-N 3.34Å; G106-W108 PolarHBondContact O-N 3.45Å; W108-N110 VanDerWaalsContact C-N 3.27Å; W108-N110 PolarHBondContact O-N 3.41Å; W108-S111 PolarHBondContact O-N 3.26Å; W108-S111 PolarHBondContact O-OG 2.94Å; W108-S111 VanDerWaalsContact O-OG 3.05Å; W108-L112 HydrophobicContact CH2-CD2 3.77Å; W108-L112 HydrophobicContact CZ2-CD1 3.98Å; W108-L112 HydrophobicContact CZ2-CD2 3.94Å; W108-L112 HydrophobicContact CZ2-CG 4.49Å; W108-L112 HydrophobicContact CZ3-CD2 4.29Å; W108-L112 WeakPolarHBondContact O-CB 3.44Å; W108-L112 PolarHBondContact O-N 2.94Å
109T90.5Very high90.6Very high10 Ų1075.7 Ų75.76%0.06137%0.368CS..Hα-helixtrans-62.2-37.8-18059.30000111.3V101 K102 R104 G106V101-T109 HydrophobicContact CG1-CG2 3.97Å; K102-T109 WeakPolarHBondContact CD-O 3.45Å; K102-T109 WeakPolarHBondContact CE-O 2.95Å; K102-T109 PolarHBondContact NZ-O 3.49Å; R104-T109 HydrophobicContact CB-CG2 4.26Å; R104-T109 PolarHBondContact O-OG1 3.21Å; G106-T109 PolarHBondContact N-OG1 3Å; G106-T109 VanDerWaalsContact N-OG1 3.12Å; G106-T109 PolarHBondContact O-N 3.47Å; G106-T109 PolarHBondContact O-OG1 3.3Å; G106-T109 VanDerWaalsContact O-OG1 3.08Å
110N88Confident90.3Very high78 Ų7882 Ų8242%0.41739%0.393SS..Hα-helixtrans-65-41.5176.9-71.3-22.7000112.2K44 K102 G106 W108K44-N110 PolarHBondContact NZ-OD1 3.5Å; K102-N110 PolarHBondContact NZ-O 3.2Å; G106-N110 VanDerWaalsContact O-CB 3.24Å; G106-N110 WeakPolarHBondContact O-CB 3.44Å; G106-N110 PolarHBondContact O-N 3.16Å; G106-N110 PolarHBondContact O-ND2 3.12Å; G106-N110 VanDerWaalsContact O-ND2 3.15Å; W108-N110 VanDerWaalsContact C-N 3.27Å; W108-N110 PolarHBondContact O-N 3.41Å
111S90.9Very high89.9Confident77 Ų7782.5 Ų82.554%0.53840%0.397SS..Hα-helixtrans-80.2-21.5-179.659.40000114.8K107 W108 T113K107-S111 PolarHBondContact O-N 3.32Å; K107-S111 VanDerWaalsContact O-N 3.16Å; K107-S111 PolarHBondContact O-OG 2.64Å; W108-S111 PolarHBondContact O-N 3.26Å; W108-S111 PolarHBondContact O-OG 2.94Å; W108-S111 VanDerWaalsContact O-OG 3.05Å; S111-T113 PolarHBondContact O-N 3.19Å
112L91.4Very high89.2Confident3 Ų389 Ų892%0.01643%0.425CS..  trans-59.9120.5-174.8-176.968.7000111.9F98 V101 K102 W108 Q116 F117 Y120F98-L112 HydrophobicContact CD2-CD2 4.48Å; F98-L112 HydrophobicContact CE2-CD2 4.27Å; F98-L112 HydrophobicContact CE2-CG 4.23Å; V101-L112 HydrophobicContact CG1-CD2 3.72Å; K102-L112 WeakPolarHBondContact CE-O 3.42Å; K102-L112 PolarHBondContact NZ-O 2.78Å; W108-L112 HydrophobicContact CH2-CD2 3.77Å; W108-L112 HydrophobicContact CZ2-CD1 3.98Å; W108-L112 HydrophobicContact CZ2-CD2 3.94Å; W108-L112 HydrophobicContact CZ2-CG 4.49Å; W108-L112 HydrophobicContact CZ3-CD2 4.29Å; W108-L112 WeakPolarHBondContact O-CB 3.44Å; W108-L112 PolarHBondContact O-N 2.94Å; L112-Q116 HydrophobicContact CD1-CB 3.79Å; L112-F117 HydrophobicContact CD2-CB 4.2Å; L112-F117 HydrophobicContact CD2-CD2 4.12Å; L112-F117 HydrophobicContact CG-CB 4.35Å; L112-Y120 HydrophobicContact CD1-CD2 4.27Å; L112-Y120 HydrophobicContact CD1-CE2 4.09Å
113T91.8Very high87.4Confident63 Ų6395.5 Ų95.539%0.38746%0.462SS..  trans-86.6161173.373.10000111S111 Q115 Q116 F117S111-T113 PolarHBondContact O-N 3.19Å; T113-Q115 VanDerWaalsContact C-N 3.28Å; T113-Q115 PolarHBondContact O-N 3.16Å; T113-Q116 PolarHBondContact O-N 3.32Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.33Å; T113-Q116 PolarHBondContact OG1-N 2.94Å; T113-Q116 VanDerWaalsContact OG1-N 3.16Å; T113-F117 PolarHBondContact O-N 3.12Å
114Y90.2Very high87.1Confident69 Ų6999.2 Ų99.227%0.27148%0.477SS..Hα-helixtrans-61.7-38175.6-175.4-121.2000111.8M10 T94 V95 F98 F117 L118M10-Y114 HydrophobicContact CE-CD2 4.46Å; M10-Y114 HydrophobicContact CE-CG 4.44Å; T94-Y114 PolarHBondContact OG1-OH 3.01Å; T94-Y114 VanDerWaalsContact OG1-OH 3.05Å; V95-Y114 HydrophobicContact CG2-CE2 4.32Å; F98-Y114 HydrophobicContact CB-CD2 3.81Å; F98-Y114 HydrophobicContact CB-CE2 3.99Å; F98-Y114 AromaticContact CD1-CD2 3.87Å; F98-Y114 HydrophobicContact CD1-CD2 3.87Å; F98-Y114 HydrophobicContact CD2-CD2 4.02Å; F98-Y114 HydrophobicContact CE1-CD2 4.43Å; F98-Y114 AromaticContact CG-CD2 3.62Å; F98-Y114 HydrophobicContact CG-CD2 3.62Å; F98-Y114 HydrophobicContact CG-CE2 4.3Å; Y114-F117 HydrophobicContact CD2-CD1 4.42Å; Y114-F117 HydrophobicContact CE2-CD1 4.41Å; Y114-F117 WeakPolarHBondContact O-CB 3.44Å; Y114-F117 PolarHBondContact O-N 2.77Å; Y114-L118 HydrophobicContact CD1-CD1 4.17Å; Y114-L118 HydrophobicContact CE1-CD1 3.76Å; Y114-L118 HydrophobicContact CE1-CD2 4.46Å; Y114-L118 HydrophobicContact CE1-CG 4.23Å; Y114-L118 HydrophobicContact CE2-CD2 4.16Å; Y114-L118 HydrophobicContact CE2-CG 4.34Å; Y114-L118 WeakPolarHBondContact O-CG 3.05Å; Y114-L118 PolarHBondContact O-N 3.06Å
115Q89.6Confident87Confident161 Ų16195.2 Ų95.275%0.75247%0.467SS*.Hα-helixtrans-63.1-42.8175.8-69.3-179.4-46.800112.6T113 F117 L118 Y119T113-Q115 VanDerWaalsContact C-N 3.28Å; T113-Q115 PolarHBondContact O-N 3.16Å; Q115-F117 VanDerWaalsContact C-N 3.29Å; Q115-F117 PolarHBondContact O-N 3.08Å; Q115-L118 PolarHBondContact O-N 3.36Å; Q115-Y119 PolarHBondContact O-N 3.21Å
116Q91.7Very high87Confident94 Ų9493.1 Ų93.144%0.43945%0.448SS..Hα-helixtrans-63.1-39.2174.6-73.9170.7-26.900111.4L112 T113 Y119 Y120L112-Q116 HydrophobicContact CD1-CB 3.79Å; T113-Q116 PolarHBondContact O-N 3.32Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.33Å; T113-Q116 PolarHBondContact OG1-N 2.94Å; T113-Q116 VanDerWaalsContact OG1-N 3.16Å; Q116-Y119 PolarHBondContact O-N 3.41Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.24Å; Q116-Y120 PolarHBondContact O-N 3.18Å
117F91.6Very high86.9Confident19 Ų1996.9 Ų96.98%0.08346%0.457CS..Hα-helixtrans-63.9-41.9177177.3-101.1000112.8T94 L97 F98 V101 L112 T113 Y114 Q115 Y119 Y120 L121T94-F117 WeakPolarHBondContact O-CE1 3.43Å; L97-F117 HydrophobicContact CB-CE1 4.12Å; L97-F117 HydrophobicContact CB-CZ 3.7Å; F98-F117 HydrophobicContact CB-CD1 3.68Å; F98-F117 HydrophobicContact CB-CE1 3.78Å; F98-F117 HydrophobicContact CB-CG 4.16Å; F98-F117 HydrophobicContact CB-CZ 4.37Å; F98-F117 HydrophobicContact CD2-CB 3.56Å; F98-F117 AromaticContact CD2-CD1 3.96Å; F98-F117 HydrophobicContact CD2-CD1 3.96Å; F98-F117 HydrophobicContact CD2-CD2 4.2Å; F98-F117 AromaticContact CD2-CG 3.64Å; F98-F117 HydrophobicContact CD2-CG 3.64Å; F98-F117 HydrophobicContact CE2-CB 4.04Å; F98-F117 HydrophobicContact CG-CD1 4.27Å; F98-F117 HydrophobicContact CG-CG 4.38Å; V101-F117 HydrophobicContact CG2-CE2 4.03Å; L112-F117 HydrophobicContact CD2-CB 4.2Å; L112-F117 HydrophobicContact CD2-CD2 4.12Å; L112-F117 HydrophobicContact CG-CB 4.35Å; T113-F117 PolarHBondContact O-N 3.12Å; Y114-F117 HydrophobicContact CD2-CD1 4.42Å; Y114-F117 HydrophobicContact CE2-CD1 4.41Å; Y114-F117 WeakPolarHBondContact O-CB 3.44Å; Y114-F117 PolarHBondContact O-N 2.77Å; Q115-F117 VanDerWaalsContact C-N 3.29Å; Q115-F117 PolarHBondContact O-N 3.08Å; F117-Y119 VanDerWaalsContact C-N 3.34Å; F117-Y119 PolarHBondContact O-N 3.32Å; F117-Y120 PolarHBondContact O-N 3.34Å; F117-L121 HydrophobicContact CD1-CD1 3.98Å; F117-L121 HydrophobicContact CE1-CD1 3.28Å; F117-L121 HydrophobicContact CE1-CG 4.03Å; F117-L121 HydrophobicContact CZ-CD1 3.62Å; F117-L121 HydrophobicContact CZ-CD2 4.31Å; F117-L121 HydrophobicContact CZ-CG 3.99Å; F117-L121 PolarHBondContact O-N 3.31Å
118L90.4Very high86.7Confident54 Ų5490.8 Ų90.828%0.28343%0.433SS..Hα-helixtrans-62.1-41.7176.1-68.3178.6000111.9T94 Y114 Q115 Y120 L121 E122T94-L118 HydrophobicContact CG2-CD2 4.37Å; Y114-L118 HydrophobicContact CD1-CD1 4.17Å; Y114-L118 HydrophobicContact CE1-CD1 3.76Å; Y114-L118 HydrophobicContact CE1-CD2 4.46Å; Y114-L118 HydrophobicContact CE1-CG 4.23Å; Y114-L118 HydrophobicContact CE2-CD2 4.16Å; Y114-L118 HydrophobicContact CE2-CG 4.34Å; Y114-L118 WeakPolarHBondContact O-CG 3.05Å; Y114-L118 PolarHBondContact O-N 3.06Å; Q115-L118 PolarHBondContact O-N 3.36Å; L118-Y120 VanDerWaalsContact C-N 3.3Å; L118-Y120 PolarHBondContact O-N 3.17Å; L118-L121 PolarHBondContact O-N 3.05Å; L118-E122 PolarHBondContact O-N 3.41Å
119Y90.5Very high86.5Confident141 Ų14187.6 Ų87.655%0.55343%0.427SS*.Hα-helixtrans-56.6-43.6174.7-178.7-87.2000111.9Q115 Q116 F117 L121 E122 D123Q115-Y119 PolarHBondContact O-N 3.21Å; Q116-Y119 PolarHBondContact O-N 3.41Å; F117-Y119 VanDerWaalsContact C-N 3.34Å; F117-Y119 PolarHBondContact O-N 3.32Å; Y119-L121 VanDerWaalsContact C-N 3.27Å; Y119-L121 PolarHBondContact O-N 3.44Å; Y119-E122 PolarHBondContact O-N 3.15Å; Y119-D123 WeakPolarHBondContact CE1-OD2 3.16Å; Y119-D123 PolarHBondContact OH-OD2 3.3Å
120Y86.4Confident86.2Confident135 Ų13593.1 Ų93.153%0.52945%0.453SS..Hα-helixtrans-69.5-16.3177-72.2-59.3000115.3L112 Q116 F117 L118L112-Y120 HydrophobicContact CD1-CD2 4.27Å; L112-Y120 HydrophobicContact CD1-CE2 4.09Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.24Å; Q116-Y120 PolarHBondContact O-N 3.18Å; F117-Y120 PolarHBondContact O-N 3.34Å; L118-Y120 VanDerWaalsContact C-N 3.3Å; L118-Y120 PolarHBondContact O-N 3.17Å
121L83.5Confident86.1Confident84 Ų8494.3 Ų94.344%0.4446%0.456SS..Hα-helixtrans-88.2-18.2176.9-80.4178.6000112.8T94 F117 L118 Y119T94-L121 HydrophobicContact CG2-CD1 4.04Å; F117-L121 HydrophobicContact CD1-CD1 3.98Å; F117-L121 HydrophobicContact CE1-CD1 3.28Å; F117-L121 HydrophobicContact CE1-CG 4.03Å; F117-L121 HydrophobicContact CZ-CD1 3.62Å; F117-L121 HydrophobicContact CZ-CD2 4.31Å; F117-L121 HydrophobicContact CZ-CG 3.99Å; F117-L121 PolarHBondContact O-N 3.31Å; L118-L121 PolarHBondContact O-N 3.05Å; Y119-L121 VanDerWaalsContact C-N 3.27Å; Y119-L121 PolarHBondContact O-N 3.44Å
122E76.7Confident85.7Confident165 Ų16595.8 Ų95.877%0.77145%0.449SS*.Hα-helixtrans-90.5-20.1-179.7-68.9177-176.100112.8L118 Y119L118-E122 PolarHBondContact O-N 3.41Å; Y119-E122 PolarHBondContact O-N 3.15Å
123D54.2Low85.1Confident161 Ų161104.2 Ų104.286%0.86149%0.488SS*.  trans-87.40172.6-79.1-20.2000112.5Y119Y119-D123 WeakPolarHBondContact CE1-OD2 3.16Å; Y119-D123 PolarHBondContact OH-OD2 3.3Å

Retrieved 123 of 123 residues in 50.4 ms (Link to these results)

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