A0A077YUP1_TRITR Loading...

Globin domain containing protein

AlphaFold DB , UniProt , Accession A0A077YUP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 264 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
1M31.1Very low36.2Very low249 Ų24985.1 Ų85.1100%1.22753%0.527SS*.  0147.80-67.2170179.300107.4
2G29Very low38Very low74 Ų7482 Ų8276%0.76350%0.503SS*.  trans-70.3140.9-171.100000113.2L4G2-L4 PolarHBondContact O-N 3.25Å
3N31.4Very low40Very low95 Ų9586 Ų8651%0.50851%0.513SS..  trans-77.7107.2175.4-178.4-0.6000109.9C5 S6N3-C5 PolarHBondContact O-N 3.23Å; N3-C5 VanDerWaalsContact O-N 3.08Å; N3-C5 WeakPolarHBondContact OD1-CB 3.14Å; N3-C5 PolarHBondContact OD1-N 2.75Å; N3-C5 PolarHBondContact OD1-SG 3.25Å; N3-S6 PolarHBondContact O-N 2.84Å; N3-S6 VanDerWaalsContact O-N 3.13Å; N3-S6 PolarHBondContact O-OG 2.88Å; N3-S6 VanDerWaalsContact O-OG 3.06Å
4L30.9Very low41.8Very low136 Ų13686.9 Ų86.971%0.71252%0.519SS*.G310 helixtrans-57.9-22.6179.5-73.9160.6000113.3G2 S6 Q7G2-L4 PolarHBondContact O-N 3.25Å; L4-S6 VanDerWaalsContact C-N 3.3Å; L4-S6 PolarHBondContact O-N 2.83Å; L4-Q7 PolarHBondContact O-N 2.89Å
5C34.8Very low43.3Very low37 Ų3784.2 Ų84.225%0.2550%0.497CS..G310 helixtrans-62.7-32.5177-54.80000113.2N3 Q7 G8 C195N3-C5 PolarHBondContact O-N 3.23Å; N3-C5 VanDerWaalsContact O-N 3.08Å; N3-C5 WeakPolarHBondContact OD1-CB 3.14Å; N3-C5 PolarHBondContact OD1-N 2.75Å; N3-C5 PolarHBondContact OD1-SG 3.25Å; C5-Q7 PolarHBondContact O-N 3.37Å; C5-G8 PolarHBondContact O-N 3.21Å; C5-C195 PolarHBondContact SG-O 3.04Å
6S31.4Very low44.7Very low101 Ų10185.9 Ų85.971%0.70652%0.523SS*.G310 helixtrans-83.13.7-177.964.20000114N3 L4N3-S6 PolarHBondContact O-N 2.84Å; N3-S6 VanDerWaalsContact O-N 3.13Å; N3-S6 PolarHBondContact O-OG 2.88Å; N3-S6 VanDerWaalsContact O-OG 3.06Å; L4-S6 VanDerWaalsContact C-N 3.3Å; L4-S6 PolarHBondContact O-N 2.83Å
7Q34Very low46.7Very low137 Ų13784.7 Ų84.764%0.6451%0.513SS*.G310 helixtrans-114.916.8169.1-71.1-169.3-31.200112.6L4 C5 G10 G11L4-Q7 PolarHBondContact O-N 2.89Å; C5-Q7 PolarHBondContact O-N 3.37Å; Q7-G10 CarbonylContact O-C 3.39Å; Q7-G10 VanDerWaalsContact O-C 3.31Å; Q7-G10 VanDerWaalsContact O-CA 3.28Å; Q7-G10 WeakPolarHBondContact O-CA 3.31Å; Q7-G10 PolarHBondContact O-N 3.23Å; Q7-G11 PolarHBondContact O-N 3.17Å
8G35.4Very low48.5Very low29 Ų2985.1 Ų85.130%0.29951%0.508SS..THydrogen-bonded Turntrans47.682.8166.300000115.2C5 G10C5-G8 PolarHBondContact O-N 3.21Å; G8-G10 PolarHBondContact O-N 3.3Å; G8-G10 VanDerWaalsContact O-N 3.1Å
9I46.1Very low49.7Very low22 Ų2286 Ų8611%0.11351%0.505CS..THydrogen-bonded Turntrans68.7-7.9-172.3-52160.6000113Y15 V24 F27 M142 W191I9-Y15 HydrophobicContact CG2-CE2 3.89Å; I9-Y15 VanDerWaalsContact CG2-OH 3.27Å; I9-Y15 WeakPolarHBondContact CG2-OH 3.47Å; I9-Y15 PolarHBondContact O-OH 2.86Å; I9-V24 HydrophobicContact CB-CG1 3.92Å; I9-V24 HydrophobicContact CD1-CG1 3.89Å; I9-V24 HydrophobicContact CG2-CB 4.45Å; I9-V24 HydrophobicContact CG2-CG1 3.84Å; I9-V24 HydrophobicContact CG2-CG2 3.78Å; I9-F27 HydrophobicContact CD1-CB 3.93Å; I9-M142 HydrophobicContact CG2-CE 3.6Å; I9-W191 HydrophobicContact CD1-CE3 3.98Å; I9-W191 HydrophobicContact CD1-CZ3 4.06Å; I9-W191 HydrophobicContact CG1-CE3 3.78Å; I9-W191 HydrophobicContact CG1-CZ3 3.77Å
10G45.1Very low50.5Low9 Ų985.2 Ų85.29%0.09350%0.496CS..SBendtrans88.1129.3-159.300000107.5Q7 G8 I12Q7-G10 CarbonylContact O-C 3.39Å; Q7-G10 VanDerWaalsContact O-C 3.31Å; Q7-G10 VanDerWaalsContact O-CA 3.28Å; Q7-G10 WeakPolarHBondContact O-CA 3.31Å; Q7-G10 PolarHBondContact O-N 3.23Å; G8-G10 PolarHBondContact O-N 3.3Å; G8-G10 VanDerWaalsContact O-N 3.1Å; G10-I12 PolarHBondContact O-N 3.14Å
11G49.3Very low51.5Low47 Ų4782.3 Ų82.349%0.48548%0.478SS..  trans-53.5130.8-177.300000110.1Q7 E13 T14Q7-G11 PolarHBondContact O-N 3.17Å; G11-E13 PolarHBondContact O-N 3.1Å; G11-T14 PolarHBondContact O-N 3.17Å; G11-T14 PolarHBondContact O-OG1 3Å; G11-T14 VanDerWaalsContact O-OG1 3.13Å
12I57.3Low53.5Low48 Ų4874.6 Ų74.625%0.24644%0.441CS..G310 helixtrans-38.9-35.2-163.8-70.6152.1000115.1G10 T14 Y15 K21 V24 R25G10-I12 PolarHBondContact O-N 3.14Å; I12-T14 PolarHBondContact O-N 3.23Å; I12-Y15 PolarHBondContact O-N 2.87Å; I12-K21 HydrophobicContact CG2-CB 3.73Å; I12-K21 HydrophobicContact CG2-CD 3.83Å; I12-K21 HydrophobicContact CG2-CG 3.88Å; I12-K21 WeakPolarHBondContact O-CG 3.4Å; I12-V24 HydrophobicContact CG1-CB 4.12Å; I12-V24 HydrophobicContact CG1-CG1 3.56Å; I12-R25 HydrophobicContact CD1-CG 3.75Å; I12-R25 HydrophobicContact CG1-CG 4.29Å; I12-R25 HydrophobicContact CG2-CG 4.16Å
13E64.4Low55.5Low134 Ų13472.1 Ų72.163%0.62641%0.409SS*.G310 helixtrans-65.5-8.9176.6-52.2-46127.700115.9G11 Y15 K21G11-E13 PolarHBondContact O-N 3.1Å; E13-Y15 PolarHBondContact O-N 2.8Å; E13-K21 WeakPolarHBondContact OE2-CE 3.46Å; E13-K21 IonicContact OE2-NZ 3.64Å; E13-K21 PolarHBondContact OE2-NZ 3.29Å
14T65.8Low57.2Low98 Ų9867.7 Ų67.760%0.60139%0.385SS*.G310 helixtrans-71.2-11.6170.3560000113.5G11 I12G11-T14 PolarHBondContact O-N 3.17Å; G11-T14 PolarHBondContact O-OG1 3Å; G11-T14 VanDerWaalsContact O-OG1 3.13Å; I12-T14 PolarHBondContact O-N 3.23Å
15Y63.7Low59.2Low47 Ų4764.7 Ų64.718%0.18437%0.365CS..  trans-97.9119-179-69.2-89.3000110.9I9 I12 E13 D17 Q20 K21 V24 M142I9-Y15 HydrophobicContact CG2-CE2 3.89Å; I9-Y15 VanDerWaalsContact CG2-OH 3.27Å; I9-Y15 WeakPolarHBondContact CG2-OH 3.47Å; I9-Y15 PolarHBondContact O-OH 2.86Å; I12-Y15 PolarHBondContact O-N 2.87Å; E13-Y15 PolarHBondContact O-N 2.8Å; Y15-D17 VanDerWaalsContact C-N 3.27Å; Y15-D17 PolarHBondContact O-N 3.24Å; Y15-Q20 HydrophobicContact CD1-CB 3.89Å; Y15-Q20 HydrophobicContact CG-CB 4.31Å; Y15-K21 WeakPolarHBondContact O-CE 3.48Å; Y15-K21 WeakPolarHBondContact O-CG 3.36Å; Y15-V24 HydrophobicContact CD1-CG2 4.45Å; Y15-V24 HydrophobicContact CD2-CG2 3.78Å; Y15-V24 HydrophobicContact CE1-CG2 4.39Å; Y15-V24 HydrophobicContact CE2-CG2 3.72Å; Y15-V24 HydrophobicContact CG-CG2 4.16Å; Y15-M142 HydrophobicContact CE1-CE 3.71Å; Y15-M142 HydrophobicContact CE1-SD 4.25Å; Y15-M142 WeakPolarHBondContact OH-CE 3.26Å
16A65.2Low60.8Low111 Ų11166.6 Ų66.692%0.91737%0.367SS*.SBendtrans-72.7-16.6-174.800000114.4
17D79.2Confident62.5Low66 Ų6662.3 Ų62.335%0.35334%0.335SS..SBendtrans-111.4124.3-176.8169.616.7000110Y15 K19 Q20 K21Y15-D17 VanDerWaalsContact C-N 3.27Å; Y15-D17 PolarHBondContact O-N 3.24Å; D17-K19 PolarHBondContact O-N 3.39Å; D17-K19 VanDerWaalsContact OD1-CB 3.26Å; D17-K19 WeakPolarHBondContact OD1-CB 3.47Å; D17-K19 PolarHBondContact OD1-N 3.02Å; D17-Q20 HydrophobicContact CB-CB 4.23Å; D17-Q20 HydrophobicContact CB-CG 3.98Å; D17-Q20 CarbonylContact O-C 3.59Å; D17-Q20 WeakPolarHBondContact O-CA 3.28Å; D17-Q20 WeakPolarHBondContact O-CB 3.41Å; D17-Q20 PolarHBondContact O-N 3.5Å; D17-K21 PolarHBondContact O-N 3.44Å
18E78.7Confident64.1Low91 Ų9158.6 Ų58.643%0.42533%0.325SS..Hα-helixtrans-61.9-25.3177.4-75.4-64148.600112.8Q20 K21 N22 R25E18-Q20 VanDerWaalsContact C-N 3.34Å; E18-K21 PolarHBondContact O-N 2.85Å; E18-K21 VanDerWaalsContact OE1-CD 3.27Å; E18-K21 WeakPolarHBondContact OE1-CD 3.34Å; E18-K21 VanDerWaalsContact OE1-CE 3.3Å; E18-K21 WeakPolarHBondContact OE1-CE 3.43Å; E18-K21 IonicContact OE1-NZ 2.68Å; E18-K21 PolarHBondContact OE1-NZ 2.85Å; E18-N22 VanDerWaalsContact O-CB 3.32Å; E18-N22 WeakPolarHBondContact O-CB 3.3Å; E18-N22 PolarHBondContact O-N 3.29Å; E18-N22 PolarHBondContact O-ND2 2.98Å; E18-N22 VanDerWaalsContact O-ND2 3.12Å; E18-R25 IonicContact OE1-NH2 2.73Å; E18-R25 IonicContact OE2-CZ 3.96Å; E18-R25 VanDerWaalsContact OE2-CZ 3.31Å; E18-R25 IonicContact OE2-NH1 3.23Å; E18-R25 PolarHBondContact OE2-NH1 3.45Å; E18-R25 IonicContact OE2-NH2 3.75Å; E18-R25 PolarHBondContact OE2-NH2 3.43Å
19K71.9Confident65.7Low103 Ų10360.6 Ų60.645%0.44833%0.328SS..Hα-helixtrans-64.7-40.2170.5-178.1-175.8176.5-1770110.7D17 Y23D17-K19 PolarHBondContact O-N 3.39Å; D17-K19 VanDerWaalsContact OD1-CB 3.26Å; D17-K19 WeakPolarHBondContact OD1-CB 3.47Å; D17-K19 PolarHBondContact OD1-N 3.02Å; K19-Y23 WeakPolarHBondContact CE-OH 3.43Å; K19-Y23 HydrophobicContact CG-CE2 3.83Å; K19-Y23 VanDerWaalsContact O-CD2 3.23Å; K19-Y23 WeakPolarHBondContact O-CD2 3.31Å; K19-Y23 PolarHBondContact O-N 2.87Å
20Q66.4Low66.8Low70 Ų7059.6 Ų59.633%0.32732%0.323SS..Hα-helixtrans-68.3-46.9172-65.2173.510.500111.2Y15 D17 E18 N22 Y23 V24Y15-Q20 HydrophobicContact CD1-CB 3.89Å; Y15-Q20 HydrophobicContact CG-CB 4.31Å; D17-Q20 HydrophobicContact CB-CB 4.23Å; D17-Q20 HydrophobicContact CB-CG 3.98Å; D17-Q20 CarbonylContact O-C 3.59Å; D17-Q20 WeakPolarHBondContact O-CA 3.28Å; D17-Q20 WeakPolarHBondContact O-CB 3.41Å; D17-Q20 PolarHBondContact O-N 3.5Å; E18-Q20 VanDerWaalsContact C-N 3.34Å; Q20-N22 PolarHBondContact O-N 3.35Å; Q20-Y23 WeakPolarHBondContact O-CB 3.38Å; Q20-Y23 PolarHBondContact O-N 3.34Å; Q20-V24 WeakPolarHBondContact O-CG2 3.04Å; Q20-V24 PolarHBondContact O-N 2.94Å
21K71.2Confident67.8Low25 Ų2562.8 Ų62.811%0.10933%0.333CS..Hα-helixtrans-55.3-40.2175.7-65.1-162.6-162.31680112.3I12 E13 Y15 D17 E18 Y23 V24 R25I12-K21 HydrophobicContact CG2-CB 3.73Å; I12-K21 HydrophobicContact CG2-CD 3.83Å; I12-K21 HydrophobicContact CG2-CG 3.88Å; I12-K21 WeakPolarHBondContact O-CG 3.4Å; E13-K21 WeakPolarHBondContact OE2-CE 3.46Å; E13-K21 IonicContact OE2-NZ 3.64Å; E13-K21 PolarHBondContact OE2-NZ 3.29Å; Y15-K21 WeakPolarHBondContact O-CE 3.48Å; Y15-K21 WeakPolarHBondContact O-CG 3.36Å; D17-K21 PolarHBondContact O-N 3.44Å; E18-K21 PolarHBondContact O-N 2.85Å; E18-K21 VanDerWaalsContact OE1-CD 3.27Å; E18-K21 WeakPolarHBondContact OE1-CD 3.34Å; E18-K21 VanDerWaalsContact OE1-CE 3.3Å; E18-K21 WeakPolarHBondContact OE1-CE 3.43Å; E18-K21 IonicContact OE1-NZ 2.68Å; E18-K21 PolarHBondContact OE1-NZ 2.85Å; K21-Y23 VanDerWaalsContact C-N 3.33Å; K21-Y23 PolarHBondContact O-N 3.21Å; K21-V24 PolarHBondContact O-N 3.43Å; K21-R25 WeakPolarHBondContact O-CB 3.28Å; K21-R25 VanDerWaalsContact O-CG 3.23Å; K21-R25 WeakPolarHBondContact O-CG 3.3Å; K21-R25 PolarHBondContact O-N 3.16Å
22N72.7Confident68.6Low87 Ų8765.1 Ų65.147%0.46534%0.341SS..Hα-helixtrans-65.5-32.3176.6-75.2-29.3000113.3E18 Q20 R25 R26E18-N22 VanDerWaalsContact O-CB 3.32Å; E18-N22 WeakPolarHBondContact O-CB 3.3Å; E18-N22 PolarHBondContact O-N 3.29Å; E18-N22 PolarHBondContact O-ND2 2.98Å; E18-N22 VanDerWaalsContact O-ND2 3.12Å; Q20-N22 PolarHBondContact O-N 3.35Å; N22-R25 PolarHBondContact OD1-NH1 2.68Å; N22-R26 WeakPolarHBondContact O-CB 3.44Å; N22-R26 PolarHBondContact O-N 3.44Å
23Y70.6Confident69Low21 Ų2166.2 Ų66.28%0.08234%0.344CS..Hα-helixtrans-69.6-43.4170.6-56.6-32.3000111.8K19 Q20 K21 R26 F27 M142 H143 H146K19-Y23 WeakPolarHBondContact CE-OH 3.43Å; K19-Y23 HydrophobicContact CG-CE2 3.83Å; K19-Y23 VanDerWaalsContact O-CD2 3.23Å; K19-Y23 WeakPolarHBondContact O-CD2 3.31Å; K19-Y23 PolarHBondContact O-N 2.87Å; Q20-Y23 WeakPolarHBondContact O-CB 3.38Å; Q20-Y23 PolarHBondContact O-N 3.34Å; K21-Y23 VanDerWaalsContact C-N 3.33Å; K21-Y23 PolarHBondContact O-N 3.21Å; Y23-R26 PolarHBondContact O-N 2.85Å; Y23-F27 WeakPolarHBondContact O-CD2 3.34Å; Y23-F27 VanDerWaalsContact O-CG 3.24Å; Y23-F27 WeakPolarHBondContact O-CG 3.44Å; Y23-F27 PolarHBondContact O-N 3.08Å; Y23-M142 HydrophobicContact CD2-CB 3.76Å; Y23-M142 HydrophobicContact CG-CB 4.46Å; Y23-H143 HydrophobicContact CE2-CB 3.92Å; Y23-H146 HydrophobicContact CD1-CB 4.08Å; Y23-H146 AromaticContact CD1-CD2 3.87Å; Y23-H146 HydrophobicContact CE1-CB 3.5Å; Y23-H146 VanDerWaalsContact CE1-CB 3.5Å; Y23-H146 AromaticContact CE1-CD2 3.28Å; Y23-H146 WeakPolarHBondContact CE1-CD2 3.15Å; Y23-H146 AromaticContact CE1-CG 3.28Å; Y23-H146 AromaticContact CE1-ND1 4Å; Y23-H146 AromaticContact CE1-NE2 3.99Å; Y23-H146 HydrophobicContact CE2-CB 4.27Å; Y23-H146 AromaticContact CZ-CG 3.65Å
24V67.1Low69.2Low2 Ų261.7 Ų61.71%0.01232%0.323CS..Hα-helixtrans-62.8-43.5175.9-176.20000111.5I9 I12 Y15 Q20 K21 F27 S28 M142I9-V24 HydrophobicContact CB-CG1 3.92Å; I9-V24 HydrophobicContact CD1-CG1 3.89Å; I9-V24 HydrophobicContact CG2-CB 4.45Å; I9-V24 HydrophobicContact CG2-CG1 3.84Å; I9-V24 HydrophobicContact CG2-CG2 3.78Å; I12-V24 HydrophobicContact CG1-CB 4.12Å; I12-V24 HydrophobicContact CG1-CG1 3.56Å; Y15-V24 HydrophobicContact CD1-CG2 4.45Å; Y15-V24 HydrophobicContact CD2-CG2 3.78Å; Y15-V24 HydrophobicContact CE1-CG2 4.39Å; Y15-V24 HydrophobicContact CE2-CG2 3.72Å; Y15-V24 HydrophobicContact CG-CG2 4.16Å; Q20-V24 WeakPolarHBondContact O-CG2 3.04Å; Q20-V24 PolarHBondContact O-N 2.94Å; K21-V24 PolarHBondContact O-N 3.43Å; V24-F27 PolarHBondContact O-N 3.49Å; V24-S28 WeakPolarHBondContact O-CB 3.35Å; V24-S28 PolarHBondContact O-N 2.85Å; V24-M142 HydrophobicContact CG2-CE 4Å; V24-M142 HydrophobicContact CG2-SD 3.81Å
25R73.3Confident69.1Low74 Ų7464.9 Ų64.928%0.27934%0.336SS..Hα-helixtrans-54.8-52.1171-72.6167.6-168.7137.43.8110.3I12 E18 K21 N22 F27 S28 D29I12-R25 HydrophobicContact CD1-CG 3.75Å; I12-R25 HydrophobicContact CG1-CG 4.29Å; I12-R25 HydrophobicContact CG2-CG 4.16Å; E18-R25 IonicContact OE1-NH2 2.73Å; E18-R25 IonicContact OE2-CZ 3.96Å; E18-R25 VanDerWaalsContact OE2-CZ 3.31Å; E18-R25 IonicContact OE2-NH1 3.23Å; E18-R25 PolarHBondContact OE2-NH1 3.45Å; E18-R25 IonicContact OE2-NH2 3.75Å; E18-R25 PolarHBondContact OE2-NH2 3.43Å; K21-R25 WeakPolarHBondContact O-CB 3.28Å; K21-R25 VanDerWaalsContact O-CG 3.23Å; K21-R25 WeakPolarHBondContact O-CG 3.3Å; K21-R25 PolarHBondContact O-N 3.16Å; N22-R25 PolarHBondContact OD1-NH1 2.68Å; R25-F27 PolarHBondContact O-N 3.36Å; R25-S28 PolarHBondContact O-N 3.24Å; R25-S28 VanDerWaalsContact O-N 3.14Å; R25-D29 WeakPolarHBondContact O-CB 3.45Å; R25-D29 PolarHBondContact O-N 3.46Å
26R67.2Low68.8Low76 Ų7667.9 Ų67.929%0.28735%0.348SS..Hα-helixtrans-57.5-46.4178.8-171.3173-175.1113.634.3113.1N22 Y23 S28 D29 Y30 Y149 E179 D183N22-R26 WeakPolarHBondContact O-CB 3.44Å; N22-R26 PolarHBondContact O-N 3.44Å; Y23-R26 PolarHBondContact O-N 2.85Å; R26-S28 VanDerWaalsContact C-N 3.32Å; R26-S28 PolarHBondContact O-N 2.84Å; R26-D29 WeakPolarHBondContact O-CB 3.48Å; R26-D29 PolarHBondContact O-N 3.37Å; R26-Y30 PolarHBondContact O-N 3.38Å; R26-Y30 VanDerWaalsContact O-N 3.16Å; R26-Y149 VanDerWaalsContact CZ-CZ 3.41Å; R26-Y149 VanDerWaalsContact NH2-CZ 3.27Å; R26-Y149 PolarHBondContact NH2-OH 3.1Å; R26-E179 IonicContact NH2-OE1 2.69Å; R26-D183 IonicContact CZ-OD1 3.35Å; R26-D183 IonicContact NE-OD1 2.75Å; R26-D183 PolarHBondContact NE-OD1 3.2Å; R26-D183 IonicContact NH2-OD1 3.46Å; R26-D183 PolarHBondContact NH2-OD1 3.42Å
27F67.5Low68.8Low11 Ų1162.7 Ų62.75%0.04831%0.305CS..Hα-helixtrans-71-25.3178.4-56.1-38.3000113.4I9 Y23 V24 R25 W145 V186 A190I9-F27 HydrophobicContact CD1-CB 3.93Å; Y23-F27 WeakPolarHBondContact O-CD2 3.34Å; Y23-F27 VanDerWaalsContact O-CG 3.24Å; Y23-F27 WeakPolarHBondContact O-CG 3.44Å; Y23-F27 PolarHBondContact O-N 3.08Å; V24-F27 PolarHBondContact O-N 3.49Å; R25-F27 PolarHBondContact O-N 3.36Å; F27-W145 HydrophobicContact CZ-CB 4.26Å; F27-V186 HydrophobicContact CE1-CG1 4.03Å; F27-A190 HydrophobicContact CE1-CB 4.42Å; F27-A190 HydrophobicContact CE2-CB 4.28Å; F27-A190 HydrophobicContact CZ-CB 4.16Å
28S67.2Low68.7Low60 Ų6061.2 Ų61.242%0.4230%0.295SS..Hα-helixtrans-77.6-41.2171.7-173.70000111.8V24 R25 R26 Y30 W31 S32V24-S28 WeakPolarHBondContact O-CB 3.35Å; V24-S28 PolarHBondContact O-N 2.85Å; R25-S28 PolarHBondContact O-N 3.24Å; R25-S28 VanDerWaalsContact O-N 3.14Å; R26-S28 VanDerWaalsContact C-N 3.32Å; R26-S28 PolarHBondContact O-N 2.84Å; S28-Y30 VanDerWaalsContact C-N 3.3Å; S28-Y30 PolarHBondContact O-N 2.91Å; S28-W31 PolarHBondContact O-N 2.86Å; S28-W31 VanDerWaalsContact O-N 3.12Å; S28-S32 PolarHBondContact O-N 3.43Å
29D69.7Low69Low70 Ų7060.5 Ų60.537%0.37429%0.294SS..Hα-helixtrans-54.2-48.3176-94.936000110.1R25 R26 W31 S32 K33R25-D29 WeakPolarHBondContact O-CB 3.45Å; R25-D29 PolarHBondContact O-N 3.46Å; R26-D29 WeakPolarHBondContact O-CB 3.48Å; R26-D29 PolarHBondContact O-N 3.37Å; D29-W31 VanDerWaalsContact C-N 3.3Å; D29-W31 PolarHBondContact O-N 3.47Å; D29-S32 PolarHBondContact O-N 2.96Å; D29-S32 PolarHBondContact O-OG 3.03Å; D29-K33 HydrophobicContact CB-CD 4.33Å; D29-K33 VanDerWaalsContact O-CB 3.28Å; D29-K33 WeakPolarHBondContact O-CB 3.27Å; D29-K33 WeakPolarHBondContact O-CG 3.47Å; D29-K33 PolarHBondContact O-N 2.88Å; D29-K33 VanDerWaalsContact O-N 3.14Å; D29-K33 WeakPolarHBondContact OD2-CE 3.29Å; D29-K33 IonicContact OD2-NZ 3.44Å; D29-K33 PolarHBondContact OD2-NZ 2.94Å
30Y68.9Low69.9Low1 Ų163.3 Ų63.30%0.00431%0.309CS..Hα-helixtrans-43.8-51.1172.8163-96.9000113.2R26 S28 S32 K33 K34 L37 Y184 S187 V188R26-Y30 PolarHBondContact O-N 3.38Å; R26-Y30 VanDerWaalsContact O-N 3.16Å; S28-Y30 VanDerWaalsContact C-N 3.3Å; S28-Y30 PolarHBondContact O-N 2.91Å; Y30-S32 VanDerWaalsContact C-N 3.31Å; Y30-S32 PolarHBondContact O-N 3.37Å; Y30-K33 CarbonylContact O-C 3.31Å; Y30-K33 PolarHBondContact O-N 2.8Å; Y30-K34 PolarHBondContact O-N 2.7Å; Y30-L37 HydrophobicContact CD2-CD1 3.66Å; Y30-L37 HydrophobicContact CE2-CD1 3.33Å; Y30-Y184 AromaticContact CE2-CD2 3.61Å; Y30-Y184 HydrophobicContact CE2-CD2 3.61Å; Y30-Y184 HydrophobicContact CE2-CG 4.12Å; Y30-Y184 AromaticContact CZ-CD2 3.84Å; Y30-Y184 WeakPolarHBondContact OH-CD2 3.4Å; Y30-Y184 VanDerWaalsContact OH-CE2 3.31Å; Y30-Y184 WeakPolarHBondContact OH-CE2 3.35Å; Y30-S187 WeakPolarHBondContact CB-OG 3.22Å; Y30-S187 VanDerWaalsContact CD1-CB 3.47Å; Y30-V188 HydrophobicContact CE1-CG2 3.85Å; Y30-V188 VanDerWaalsContact OH-CG2 3.28Å; Y30-V188 WeakPolarHBondContact OH-CG2 3.5Å
31W67.5Low71Confident77 Ų7765.5 Ų65.529%0.29232%0.319SS..Hα-helixtrans-68.1-28.6-177.6-69.7112.1000113.3S28 D29 K33 K34 M126 V188 W191S28-W31 PolarHBondContact O-N 2.86Å; S28-W31 VanDerWaalsContact O-N 3.12Å; D29-W31 VanDerWaalsContact C-N 3.3Å; D29-W31 PolarHBondContact O-N 3.47Å; W31-K33 VanDerWaalsContact C-N 3.27Å; W31-K34 HydrophobicContact CZ3-CD 4.47Å; W31-M126 HydrophobicContact CH2-CE 4.27Å; W31-V188 HydrophobicContact CH2-CG2 4.32Å; W31-W191 HydrophobicContact CZ2-CB 4.34Å; W31-W191 HydrophobicContact CZ2-CD2 4.27Å; W31-W191 AromaticContact CZ2-CG 3.97Å; W31-W191 HydrophobicContact CZ2-CG 3.97Å; W31-W191 AromaticContact NE1-CD2 3.64Å; W31-W191 AromaticContact NE1-CE3 3.48Å; W31-W191 AromaticContact NE1-CZ3 3.91Å
32S66.1Low71.9Confident95 Ų9564.7 Ų64.766%0.66432%0.316SS*.Hα-helixtrans-80.2-6.4172.666.30000114.3S28 D29 Y30S28-S32 PolarHBondContact O-N 3.43Å; D29-S32 PolarHBondContact O-N 2.96Å; D29-S32 PolarHBondContact O-OG 3.03Å; Y30-S32 VanDerWaalsContact C-N 3.31Å; Y30-S32 PolarHBondContact O-N 3.37Å
33K65.5Low72.8Confident71 Ų7161.7 Ų61.731%0.30930%0.3SS..Hα-helixtrans-122-1.8-170.3-73.4-178.7-160.5177.60113.6D29 Y30 W31 D35 Y36D29-K33 HydrophobicContact CB-CD 4.33Å; D29-K33 VanDerWaalsContact O-CB 3.28Å; D29-K33 WeakPolarHBondContact O-CB 3.27Å; D29-K33 WeakPolarHBondContact O-CG 3.47Å; D29-K33 PolarHBondContact O-N 2.88Å; D29-K33 VanDerWaalsContact O-N 3.14Å; D29-K33 WeakPolarHBondContact OD2-CE 3.29Å; D29-K33 IonicContact OD2-NZ 3.44Å; D29-K33 PolarHBondContact OD2-NZ 2.94Å; Y30-K33 CarbonylContact O-C 3.31Å; Y30-K33 PolarHBondContact O-N 2.8Å; W31-K33 VanDerWaalsContact C-N 3.27Å; K33-D35 VanDerWaalsContact C-N 3.26Å; K33-D35 PolarHBondContact O-N 3.26Å; K33-D35 VanDerWaalsContact O-N 3.13Å; K33-Y36 HydrophobicContact CB-CD1 4.2Å; K33-Y36 HydrophobicContact CB-CE1 3.41Å; K33-Y36 VanDerWaalsContact CB-CE1 3.41Å; K33-Y36 HydrophobicContact CD-CE1 4.01Å; K33-Y36 WeakPolarHBondContact CD-OH 2.99Å; K33-Y36 HydrophobicContact CG-CE1 3.72Å; K33-Y36 WeakPolarHBondContact O-CD1 3.43Å; K33-Y36 WeakPolarHBondContact O-CE1 3.28Å; K33-Y36 PolarHBondContact O-N 2.75Å
34K68.5Low73.8Confident40 Ų4064.9 Ų64.917%0.17432%0.321CS..G310 helixtrans-49.4-43.8-170.2-176.7178.6160.9179.90113.5Y30 W31 Y36 L37 E118 E122Y30-K34 PolarHBondContact O-N 2.7Å; W31-K34 HydrophobicContact CZ3-CD 4.47Å; K34-Y36 PolarHBondContact O-N 3.06Å; K34-Y36 VanDerWaalsContact O-N 3.08Å; K34-L37 PolarHBondContact O-N 3.41Å; K34-L37 VanDerWaalsContact O-N 3.15Å; K34-E118 WeakPolarHBondContact CE-OE1 3.2Å; K34-E118 WeakPolarHBondContact CE-OE2 3.19Å; K34-E118 IonicContact NZ-OE1 2.73Å; K34-E118 IonicContact NZ-OE2 2.66Å; K34-E118 PolarHBondContact NZ-OE2 2.84Å; K34-E122 WeakPolarHBondContact CE-OE1 3.32Å; K34-E122 IonicContact NZ-OE1 3.58Å; K34-E122 PolarHBondContact NZ-OE1 2.76Å; K34-E122 IonicContact NZ-OE2 2.8Å; K34-E122 PolarHBondContact NZ-OE2 3.09Å
35D63.1Low75Confident164 Ų16466.2 Ų66.288%0.87733%0.329SS*.G310 helixtrans-62-18.3-171.3-58.5-19.4000115.3K33K33-D35 VanDerWaalsContact C-N 3.26Å; K33-D35 PolarHBondContact O-N 3.26Å; K33-D35 VanDerWaalsContact O-N 3.13Å
36Y58.5Low76Confident111 Ų11162.8 Ų62.844%0.43532%0.317SS..G310 helixtrans-97-1317873.8-116000114.7K33 K34 F38K33-Y36 HydrophobicContact CB-CD1 4.2Å; K33-Y36 HydrophobicContact CB-CE1 3.41Å; K33-Y36 VanDerWaalsContact CB-CE1 3.41Å; K33-Y36 HydrophobicContact CD-CE1 4.01Å; K33-Y36 WeakPolarHBondContact CD-OH 2.99Å; K33-Y36 HydrophobicContact CG-CE1 3.72Å; K33-Y36 WeakPolarHBondContact O-CD1 3.43Å; K33-Y36 WeakPolarHBondContact O-CE1 3.28Å; K33-Y36 PolarHBondContact O-N 2.75Å; K34-Y36 PolarHBondContact O-N 3.06Å; K34-Y36 VanDerWaalsContact O-N 3.08Å; Y36-F38 PolarHBondContact O-N 2.86Å
37L64.7Low77.3Confident2 Ų262.3 Ų62.31%0.0132%0.315CS..THydrogen-bonded Turntrans-66.4-20.8-158.7-71.8168.6000115Y30 K34 T42 N180 Y184Y30-L37 HydrophobicContact CD2-CD1 3.66Å; Y30-L37 HydrophobicContact CE2-CD1 3.33Å; K34-L37 PolarHBondContact O-N 3.41Å; K34-L37 VanDerWaalsContact O-N 3.15Å; L37-T42 WeakPolarHBondContact O-CG2 3.41Å; L37-N180 HydrophobicContact CD2-CB 3.93Å; L37-Y184 HydrophobicContact CD1-CD2 4.16Å
38F75.9Confident78.4Confident35 Ų3565.7 Ų65.715%0.15435%0.345CS..THydrogen-bonded Turntrans-134.357.1-178.9-59.5-64.1000111.7Y36 T42 I43 L46 A115 L181 Y184Y36-F38 PolarHBondContact O-N 2.86Å; F38-T42 HydrophobicContact CD1-CG2 4.37Å; F38-I43 HydrophobicContact CB-CD1 4.01Å; F38-I43 HydrophobicContact CB-CG1 3.88Å; F38-I43 WeakPolarHBondContact O-CD1 3.36Å; F38-L46 HydrophobicContact CD1-CD1 4.31Å; F38-L46 HydrophobicContact CE1-CD1 4.12Å; F38-A115 HydrophobicContact CD1-CB 4.42Å; F38-A115 HydrophobicContact CG-CB 4.35Å; F38-L181 HydrophobicContact CE1-CD1 3.93Å; F38-L181 HydrophobicContact CZ-CD1 4.1Å; F38-Y184 AromaticContact CE2-CD1 3.94Å; F38-Y184 HydrophobicContact CE2-CD1 3.94Å; F38-Y184 AromaticContact CE2-CD2 3.54Å; F38-Y184 HydrophobicContact CE2-CD2 3.54Å; F38-Y184 HydrophobicContact CE2-CE1 4.09Å; F38-Y184 AromaticContact CE2-CE2 3.75Å; F38-Y184 HydrophobicContact CE2-CE2 3.75Å; F38-Y184 AromaticContact CE2-CG 3.69Å; F38-Y184 HydrophobicContact CE2-CG 3.69Å; F38-Y184 AromaticContact CZ-CD1 3.75Å; F38-Y184 HydrophobicContact CZ-CD1 3.75Å; F38-Y184 HydrophobicContact CZ-CD2 4.07Å; F38-Y184 HydrophobicContact CZ-CE1 4.19Å; F38-Y184 AromaticContact CZ-CG 3.7Å; F38-Y184 HydrophobicContact CZ-CG 3.7Å
39D86.5Confident79.6Confident76 Ų7664.1 Ų64.141%0.40633%0.334SS..  trans-59.1160.5161.46435.6000111.6Q41 T42 I43D39-Q41 VanDerWaalsContact C-N 3.26Å; D39-Q41 PolarHBondContact O-N 2.62Å; D39-T42 WeakPolarHBondContact O-CB 3.48Å; D39-T42 PolarHBondContact O-N 2.7Å; D39-T42 VanDerWaalsContact O-N 3.09Å; D39-T42 WeakPolarHBondContact OD1-CB 3.11Å; D39-T42 PolarHBondContact OD1-N 2.95Å; D39-T42 PolarHBondContact OD1-OG1 2.7Å; D39-I43 WeakPolarHBondContact O-CG1 3.39Å; D39-I43 PolarHBondContact O-N 2.76Å
40E89Confident80.7Confident162 Ų16260.9 Ų60.976%0.75732%0.317SS*.Hα-helixtrans-58.6-38.6-174.2-174.9173.7-169.500112I43 V44E40-I43 PolarHBondContact O-N 3.12Å; E40-V44 HydrophobicContact CG-CG2 4.47Å; E40-V44 WeakPolarHBondContact O-CB 3.47Å; E40-V44 VanDerWaalsContact O-CG2 3.28Å; E40-V44 WeakPolarHBondContact O-CG2 3.5Å; E40-V44 PolarHBondContact O-N 2.78Å
41Q90.2Very high81.8Confident116 Ų11661.3 Ų61.354%0.54232%0.319SS..Hα-helixtrans-62.7-44.8176.3-173.2172.438.200111.4D39 V44 T45 I173D39-Q41 VanDerWaalsContact C-N 3.26Å; D39-Q41 PolarHBondContact O-N 2.62Å; Q41-V44 PolarHBondContact O-N 2.8Å; Q41-T45 VanDerWaalsContact O-CB 3.32Å; Q41-T45 WeakPolarHBondContact O-CB 3.36Å; Q41-T45 PolarHBondContact O-N 3.39Å; Q41-T45 PolarHBondContact O-OG1 2.87Å; Q41-I173 HydrophobicContact CG-CG2 4.24Å
42T90.1Very high82.8Confident8 Ų862.9 Ų62.95%0.04933%0.334CS..Hα-helixtrans-62.3-44.9176.4-64.80000111.4L37 F38 D39 L46L37-T42 WeakPolarHBondContact O-CG2 3.41Å; F38-T42 HydrophobicContact CD1-CG2 4.37Å; D39-T42 WeakPolarHBondContact O-CB 3.48Å; D39-T42 PolarHBondContact O-N 2.7Å; D39-T42 VanDerWaalsContact O-N 3.09Å; D39-T42 WeakPolarHBondContact OD1-CB 3.11Å; D39-T42 PolarHBondContact OD1-N 2.95Å; D39-T42 PolarHBondContact OD1-OG1 2.7Å; T42-L46 HydrophobicContact CG2-CD1 3.81Å; T42-L46 HydrophobicContact CG2-CG 4.34Å; T42-L46 VanDerWaalsContact O-CB 3.28Å; T42-L46 WeakPolarHBondContact O-CB 3.39Å; T42-L46 WeakPolarHBondContact O-CG 3.28Å; T42-L46 PolarHBondContact O-N 3.11Å
43I91.2Very high84.1Confident23 Ų2364 Ų6412%0.11833%0.328CS..Hα-helixtrans-61.9-45.5176.9-65.9175.2000111.1F38 D39 E40 R47 A115F38-I43 HydrophobicContact CB-CD1 4.01Å; F38-I43 HydrophobicContact CB-CG1 3.88Å; F38-I43 WeakPolarHBondContact O-CD1 3.36Å; D39-I43 WeakPolarHBondContact O-CG1 3.39Å; D39-I43 PolarHBondContact O-N 2.76Å; E40-I43 PolarHBondContact O-N 3.12Å; I43-R47 WeakPolarHBondContact O-CB 3.14Å; I43-R47 VanDerWaalsContact O-CG 3.25Å; I43-R47 WeakPolarHBondContact O-CG 3.32Å; I43-R47 PolarHBondContact O-N 3.35Å; I43-A115 HydrophobicContact CD1-CB 3.94Å; I43-A115 HydrophobicContact CG1-CB 3.98Å
44V93.1Very high85.4Confident88 Ų8866.3 Ų66.353%0.53334%0.343SS..Hα-helixtrans-64-49.2179168.80000111.1E40 Q41 L46 R47 A48E40-V44 HydrophobicContact CG-CG2 4.47Å; E40-V44 WeakPolarHBondContact O-CB 3.47Å; E40-V44 VanDerWaalsContact O-CG2 3.28Å; E40-V44 WeakPolarHBondContact O-CG2 3.5Å; E40-V44 PolarHBondContact O-N 2.78Å; Q41-V44 PolarHBondContact O-N 2.8Å; V44-L46 PolarHBondContact O-N 2.8Å; V44-R47 PolarHBondContact O-N 2.65Å; V44-A48 WeakPolarHBondContact O-CB 3.3Å; V44-A48 PolarHBondContact O-N 2.91Å
45T92.4Very high86.5Confident30 Ų3069.8 Ų69.818%0.18436%0.36CS..Hα-helixtrans-60-45178.1-65.80000111.9Q41 R47 A48 S49 I173 F174Q41-T45 VanDerWaalsContact O-CB 3.32Å; Q41-T45 WeakPolarHBondContact O-CB 3.36Å; Q41-T45 PolarHBondContact O-N 3.39Å; Q41-T45 PolarHBondContact O-OG1 2.87Å; T45-R47 VanDerWaalsContact C-N 3.33Å; T45-R47 PolarHBondContact O-N 3.29Å; T45-A48 PolarHBondContact O-N 2.99Å; T45-S49 WeakPolarHBondContact O-CB 3.27Å; T45-S49 PolarHBondContact O-N 3.2Å; T45-S49 PolarHBondContact O-OG 3.05Å; T45-I173 HydrophobicContact CG2-CG2 4.26Å; T45-F174 HydrophobicContact CG2-CB 4.34Å
46L93.2Very high88Confident2 Ų266 Ų661%0.0134%0.337CS..Hα-helixtrans-61.6-39.5176.2-75.7173.6000112.3F38 T42 V44 S49 F50 V112 W178 L181F38-L46 HydrophobicContact CD1-CD1 4.31Å; F38-L46 HydrophobicContact CE1-CD1 4.12Å; T42-L46 HydrophobicContact CG2-CD1 3.81Å; T42-L46 HydrophobicContact CG2-CG 4.34Å; T42-L46 VanDerWaalsContact O-CB 3.28Å; T42-L46 WeakPolarHBondContact O-CB 3.39Å; T42-L46 WeakPolarHBondContact O-CG 3.28Å; T42-L46 PolarHBondContact O-N 3.11Å; V44-L46 PolarHBondContact O-N 2.8Å; L46-S49 PolarHBondContact O-OG 3.46Å; L46-F50 WeakPolarHBondContact O-CB 3.19Å; L46-F50 PolarHBondContact O-N 3.2Å; L46-F50 VanDerWaalsContact O-N 3.11Å; L46-V112 HydrophobicContact CB-CG1 3.86Å; L46-V112 HydrophobicContact CB-CG2 4.02Å; L46-V112 HydrophobicContact CD1-CG2 4.36Å; L46-V112 HydrophobicContact CD2-CG2 4.49Å; L46-W178 HydrophobicContact CD2-CB 4.44Å; L46-W178 HydrophobicContact CD2-CD2 3.82Å; L46-W178 HydrophobicContact CD2-CE3 4.45Å; L46-W178 HydrophobicContact CD2-CG 3.8Å; L46-L181 HydrophobicContact CD1-CB 3.95Å; L46-L181 HydrophobicContact CD1-CD1 4.37Å; L46-L181 HydrophobicContact CD1-CD2 4.28Å; L46-L181 HydrophobicContact CD1-CG 4.43Å; L46-L181 HydrophobicContact CD2-CB 4.09Å; L46-L181 HydrophobicContact CD2-CD2 3.77Å
47R93.9Very high89.7Confident66 Ų6661.7 Ų61.725%0.24932%0.321CS..Hα-helixtrans-71.2-41.1179.1-74.6170.8-177.7179.90112.6I43 V44 T45 S49 V112 F113 E116I43-R47 WeakPolarHBondContact O-CB 3.14Å; I43-R47 VanDerWaalsContact O-CG 3.25Å; I43-R47 WeakPolarHBondContact O-CG 3.32Å; I43-R47 PolarHBondContact O-N 3.35Å; V44-R47 PolarHBondContact O-N 2.65Å; T45-R47 VanDerWaalsContact C-N 3.33Å; T45-R47 PolarHBondContact O-N 3.29Å; R47-S49 VanDerWaalsContact C-N 3.34Å; R47-V112 HydrophobicContact CB-CG1 4.42Å; R47-V112 HydrophobicContact CG-CG1 3.6Å; R47-V112 PolarHBondContact NE-O 3.07Å; R47-V112 PolarHBondContact NH2-O 3.28Å; R47-F113 HydrophobicContact CB-CE1 4.3Å; R47-F113 HydrophobicContact CB-CZ 4.48Å; R47-F113 HydrophobicContact CG-CD1 4.21Å; R47-F113 HydrophobicContact CG-CE1 3.97Å; R47-F113 HydrophobicContact CG-CZ 4.34Å; R47-E116 IonicContact CZ-OE1 2.95Å; R47-E116 VanDerWaalsContact CZ-OE1 3.24Å; R47-E116 IonicContact CZ-OE2 3.31Å; R47-E116 IonicContact NH1-OE1 3.71Å; R47-E116 PolarHBondContact NH1-OE1 3.01Å; R47-E116 IonicContact NH1-OE2 2.76Å; R47-E116 IonicContact NH2-OE1 3.78Å; R47-E116 PolarHBondContact NH2-OE1 3.45Å; R47-E116 IonicContact NH2-OE2 2.7Å; R47-E116 PolarHBondContact NH2-OE2 3.43Å
48A91.8Very high91Very high82 Ų8262.5 Ų62.568%0.67833%0.326SS*.Hα-helixtrans-66.8-35.5177.200000112.5V44 T45V44-A48 WeakPolarHBondContact O-CB 3.3Å; V44-A48 PolarHBondContact O-N 2.91Å; T45-A48 PolarHBondContact O-N 2.99Å
49S92Very high91.9Very high27 Ų2767.9 Ų67.919%0.18935%0.345CS..Hα-helixtrans-89.1-8.9-178.558.60000115.2T45 L46 R47 F174 W178T45-S49 WeakPolarHBondContact O-CB 3.27Å; T45-S49 PolarHBondContact O-N 3.2Å; T45-S49 PolarHBondContact O-OG 3.05Å; L46-S49 PolarHBondContact O-OG 3.46Å; R47-S49 VanDerWaalsContact C-N 3.34Å; S49-F174 VanDerWaalsContact CB-CZ 3.43Å; S49-W178 PolarHBondContact OG-NE1 2.87Å
50F92.9Very high92.2Very high3 Ų364.2 Ų64.21%0.01333%0.326CS..SBendtrans-71.6131-178.9-155.5-89.2000111.5L46 N52 Q57 V105 F108 K109 V112 F113 W178L46-F50 WeakPolarHBondContact O-CB 3.19Å; L46-F50 PolarHBondContact O-N 3.2Å; L46-F50 VanDerWaalsContact O-N 3.11Å; F50-N52 PolarHBondContact O-N 3.28Å; F50-N52 VanDerWaalsContact O-N 3.14Å; F50-N52 PolarHBondContact O-ND2 3.4Å; F50-Q57 HydrophobicContact CE1-CG 4.3Å; F50-V105 HydrophobicContact CE1-CG1 4.07Å; F50-V105 HydrophobicContact CZ-CG1 3.8Å; F50-F108 HydrophobicContact CE2-CB 3.85Å; F50-F108 HydrophobicContact CZ-CB 4.23Å; F50-K109 HydrophobicContact CD1-CG 4.33Å; F50-K109 HydrophobicContact CE1-CB 3.7Å; F50-K109 HydrophobicContact CE1-CD 4.01Å; F50-K109 HydrophobicContact CE1-CG 3.77Å; F50-K109 HydrophobicContact CE2-CB 4.38Å; F50-K109 HydrophobicContact CZ-CB 3.56Å; F50-K109 HydrophobicContact CZ-CG 4.15Å; F50-V112 HydrophobicContact CD2-CB 4.4Å; F50-V112 HydrophobicContact CD2-CG2 4.05Å; F50-V112 HydrophobicContact CE2-CG2 4.39Å; F50-F113 HydrophobicContact CB-CE2 3.83Å; F50-F113 HydrophobicContact CB-CZ 4.15Å; F50-F113 AromaticContact CD1-CE2 3.91Å; F50-F113 HydrophobicContact CD1-CE2 3.91Å; F50-F113 AromaticContact CG-CE2 3.83Å; F50-F113 HydrophobicContact CG-CE2 3.83Å; F50-W178 AromaticContact CD2-CH2 3.58Å; F50-W178 HydrophobicContact CD2-CH2 3.58Å; F50-W178 AromaticContact CD2-CZ2 3.91Å; F50-W178 HydrophobicContact CD2-CZ2 3.91Å; F50-W178 AromaticContact CE2-CH2 3.73Å; F50-W178 HydrophobicContact CE2-CH2 3.73Å
51P91.9Very high92.5Very high9 Ų956.5 Ų56.56%0.05829%0.29CS..  trans-56.2120.6176.3-27.236.2000111.6Q56 Q57 F60P51-Q56 HydrophobicContact CB-CB 3.82Å; P51-Q57 HydrophobicContact CB-CG 4.05Å; P51-Q57 WeakPolarHBondContact O-CG 3.28Å; P51-Q57 PolarHBondContact O-NE2 2.75Å; P51-F60 HydrophobicContact CG-CB 4.21Å; P51-F60 HydrophobicContact CG-CD1 3.9Å; P51-F60 HydrophobicContact CG-CG 4.15Å
52N89.1Confident92.8Very high111 Ų11152.3 Ų52.359%0.59427%0.27SS*.  trans-86.4-40.3-172.2-79.4-57.3000112.9F50 Q57F50-N52 PolarHBondContact O-N 3.28Å; F50-N52 VanDerWaalsContact O-N 3.14Å; F50-N52 PolarHBondContact O-ND2 3.4Å; N52-Q57 VanDerWaalsContact C-NE2 3.32Å; N52-Q57 PolarHBondContact O-NE2 3.32Å
53E93.5Very high93Very high117 Ų11754.8 Ų54.855%0.54728%0.281SS..SBendtrans-76.9149.3-179.5-61.2176.9162.100112.4E55 Q56 Q57E53-E55 VanDerWaalsContact C-N 3.28Å; E53-E55 PolarHBondContact O-N 3.09Å; E53-Q56 HydrophobicContact CB-CB 4.31Å; E53-Q56 HydrophobicContact CB-CG 3.93Å; E53-Q56 PolarHBondContact O-N 3.01Å; E53-Q56 PolarHBondContact OE2-NE2 3.47Å; E53-Q57 WeakPolarHBondContact O-CB 3.19Å; E53-Q57 VanDerWaalsContact O-CG 3.25Å; E53-Q57 WeakPolarHBondContact O-CG 3.38Å; E53-Q57 PolarHBondContact O-N 3.11Å
54L91.3Very high93.1Very high121 Ų12153.7 Ų53.763%0.63428%0.276SS*.Hα-helixtrans-63.6-33.2179.8-179.960.8000112.7T58L54-T58 WeakPolarHBondContact O-CB 3.33Å; L54-T58 PolarHBondContact O-N 3.33Å; L54-T58 PolarHBondContact O-OG1 2.85Å
55E92.9Very high93.2Very high112 Ų11249.5 Ų49.552%0.52325%0.25SS..Hα-helixtrans-69.8-49.5176-172.8175.4174.100111.2E53 Q57 T58 R59E53-E55 VanDerWaalsContact C-N 3.28Å; E53-E55 PolarHBondContact O-N 3.09Å; E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 3.49Å; E55-T58 PolarHBondContact O-N 3.18Å; E55-R59 HydrophobicContact CG-CG 4.35Å; E55-R59 WeakPolarHBondContact O-CG 3.45Å; E55-R59 PolarHBondContact O-N 3.24Å; E55-R59 IonicContact OE1-CZ 2.62Å; E55-R59 IonicContact OE1-NE 2.7Å; E55-R59 PolarHBondContact OE1-NE 2.92Å; E55-R59 IonicContact OE1-NH2 2.8Å; E55-R59 PolarHBondContact OE1-NH2 2.94Å
56Q93.2Very high93.3Very high85 Ų8549.5 Ų49.540%0.39725%0.249SC..Hα-helixtrans-58.2-39.5175.6-58.4174.610.300111.8P51 E53 F60P51-Q56 HydrophobicContact CB-CB 3.82Å; E53-Q56 HydrophobicContact CB-CB 4.31Å; E53-Q56 HydrophobicContact CB-CG 3.93Å; E53-Q56 PolarHBondContact O-N 3.01Å; E53-Q56 PolarHBondContact OE2-NE2 3.47Å; Q56-F60 VanDerWaalsContact O-CB 3.24Å; Q56-F60 WeakPolarHBondContact O-CB 3.43Å; Q56-F60 PolarHBondContact O-N 2.9Å
57Q94Very high93.2Very high21 Ų2149.6 Ų49.610%0.09825%0.25CC..Hα-helixtrans-61.6-43.5172.2-75164.623.800111.8F50 P51 N52 E53 E55 G61 V105F50-Q57 HydrophobicContact CE1-CG 4.3Å; P51-Q57 HydrophobicContact CB-CG 4.05Å; P51-Q57 WeakPolarHBondContact O-CG 3.28Å; P51-Q57 PolarHBondContact O-NE2 2.75Å; N52-Q57 VanDerWaalsContact C-NE2 3.32Å; N52-Q57 PolarHBondContact O-NE2 3.32Å; E53-Q57 WeakPolarHBondContact O-CB 3.19Å; E53-Q57 VanDerWaalsContact O-CG 3.25Å; E53-Q57 WeakPolarHBondContact O-CG 3.38Å; E53-Q57 PolarHBondContact O-N 3.11Å; E55-Q57 VanDerWaalsContact C-N 3.27Å; E55-Q57 PolarHBondContact O-N 3.49Å; Q57-G61 PolarHBondContact O-N 2.97Å; Q57-G61 VanDerWaalsContact O-N 3.1Å; Q57-V105 HydrophobicContact CB-CG1 3.83Å; Q57-V105 HydrophobicContact CG-CG1 3.98Å; Q57-V105 WeakPolarHBondContact O-CG2 3.36Å
58T93.8Very high93.2Very high18 Ų1846.6 Ų46.611%0.1124%0.239CC..Hα-helixtrans-67.3-47.4179.2-58.20000111.3L54 E55 F60 G61 Q62 I98 Q102L54-T58 WeakPolarHBondContact O-CB 3.33Å; L54-T58 PolarHBondContact O-N 3.33Å; L54-T58 PolarHBondContact O-OG1 2.85Å; E55-T58 PolarHBondContact O-N 3.18Å; T58-F60 PolarHBondContact O-N 3.21Å; T58-G61 PolarHBondContact O-N 3.31Å; T58-Q62 WeakPolarHBondContact O-CG 3.24Å; T58-Q62 PolarHBondContact O-N 2.87Å; T58-I98 HydrophobicContact CG2-CG2 3.95Å; T58-Q102 HydrophobicContact CG2-CG 4.24Å; T58-Q102 PolarHBondContact OG1-NE2 2.94Å
59R93.8Very high93.2Very high148 Ų14842.9 Ų42.956%0.55821%0.208SC*.Hα-helixtrans-57.3-46.2175.7-68.7179.8-177.1-156.95.8111.5E55 G61 Q62 Q63E55-R59 HydrophobicContact CG-CG 4.35Å; E55-R59 WeakPolarHBondContact O-CG 3.45Å; E55-R59 PolarHBondContact O-N 3.24Å; E55-R59 IonicContact OE1-CZ 2.62Å; E55-R59 IonicContact OE1-NE 2.7Å; E55-R59 PolarHBondContact OE1-NE 2.92Å; E55-R59 IonicContact OE1-NH2 2.8Å; E55-R59 PolarHBondContact OE1-NH2 2.94Å; R59-G61 PolarHBondContact O-N 2.72Å; R59-Q62 WeakPolarHBondContact O-CB 3.42Å; R59-Q62 PolarHBondContact O-N 3.23Å; R59-Q62 VanDerWaalsContact O-N 3.16Å; R59-Q63 WeakPolarHBondContact O-CG 3.15Å; R59-Q63 PolarHBondContact O-N 3.23Å
60F93.9Very high93.2Very high0 Ų048.6 Ų48.60%023%0.225CC..Hα-helixtrans-59.3-43.7176.8179-135.6000112.7P51 Q56 T58 Q62 Q63 I64 V105 V155 I156 K159 W178P51-F60 HydrophobicContact CG-CB 4.21Å; P51-F60 HydrophobicContact CG-CD1 3.9Å; P51-F60 HydrophobicContact CG-CG 4.15Å; Q56-F60 VanDerWaalsContact O-CB 3.24Å; Q56-F60 WeakPolarHBondContact O-CB 3.43Å; Q56-F60 PolarHBondContact O-N 2.9Å; T58-F60 PolarHBondContact O-N 3.21Å; F60-Q62 VanDerWaalsContact C-N 3.33Å; F60-Q62 PolarHBondContact O-N 3.34Å; F60-Q63 PolarHBondContact O-N 2.89Å; F60-I64 HydrophobicContact CD1-CD1 4.37Å; F60-I64 HydrophobicContact CD2-CD1 4.11Å; F60-I64 HydrophobicContact CD2-CG1 4.46Å; F60-I64 HydrophobicContact CE1-CD1 4.09Å; F60-I64 HydrophobicContact CE2-CD1 3.83Å; F60-I64 HydrophobicContact CE2-CG1 4.29Å; F60-I64 HydrophobicContact CG-CD1 4.39Å; F60-I64 HydrophobicContact CZ-CD1 3.82Å; F60-I64 WeakPolarHBondContact O-CG1 3.34Å; F60-I64 PolarHBondContact O-N 3.46Å; F60-I64 VanDerWaalsContact O-N 3.08Å; F60-V105 HydrophobicContact CD1-CG1 4.26Å; F60-V105 HydrophobicContact CD1-CG2 3.8Å; F60-V105 HydrophobicContact CE1-CG2 4.46Å; F60-V105 HydrophobicContact CG-CG2 4.43Å; F60-V155 HydrophobicContact CD2-CG1 3.64Å; F60-V155 HydrophobicContact CE2-CB 4.47Å; F60-V155 HydrophobicContact CE2-CG1 3.71Å; F60-I156 HydrophobicContact CE2-CD1 4.03Å; F60-I156 HydrophobicContact CZ-CD1 3.92Å; F60-K159 HydrophobicContact CD2-CD 4.32Å; F60-K159 HydrophobicContact CE2-CD 4.34Å; F60-K159 VanDerWaalsContact CG-NZ 3.34Å; F60-W178 AromaticContact CE1-CH2 3.74Å; F60-W178 HydrophobicContact CE1-CH2 3.74Å; F60-W178 HydrophobicContact CE1-CZ3 4.06Å; F60-W178 AromaticContact CZ-CH2 3.75Å; F60-W178 HydrophobicContact CZ-CH2 3.75Å; F60-W178 AromaticContact CZ-CZ3 3.79Å; F60-W178 HydrophobicContact CZ-CZ3 3.79Å
61G95Very high93.1Very high0 Ų053.2 Ų53.20%024%0.243CC..Hα-helixtrans-67.7-32.2176.300000113.3Q57 T58 R59 L65 A101Q57-G61 PolarHBondContact O-N 2.97Å; Q57-G61 VanDerWaalsContact O-N 3.1Å; T58-G61 PolarHBondContact O-N 3.31Å; R59-G61 PolarHBondContact O-N 2.72Å; G61-L65 PolarHBondContact O-N 3.15Å; G61-L65 VanDerWaalsContact O-N 3.08Å; G61-A101 WeakPolarHBondContact O-CB 3.39Å
62Q95.4Very high93Very high27 Ų2754.7 Ų54.713%0.12625%0.248CC..Hα-helixtrans-69.4-44173.3-71.7171.5-55.100111T58 R59 F60 I64 L65 L66 Q92 F97 A101T58-Q62 WeakPolarHBondContact O-CG 3.24Å; T58-Q62 PolarHBondContact O-N 2.87Å; R59-Q62 WeakPolarHBondContact O-CB 3.42Å; R59-Q62 PolarHBondContact O-N 3.23Å; R59-Q62 VanDerWaalsContact O-N 3.16Å; F60-Q62 VanDerWaalsContact C-N 3.33Å; F60-Q62 PolarHBondContact O-N 3.34Å; Q62-I64 VanDerWaalsContact C-N 3.33Å; Q62-I64 PolarHBondContact O-N 2.99Å; Q62-L65 PolarHBondContact O-N 3.34Å; Q62-L66 WeakPolarHBondContact O-CB 3.25Å; Q62-L66 VanDerWaalsContact O-CG 3.26Å; Q62-L66 WeakPolarHBondContact O-CG 3.28Å; Q62-L66 PolarHBondContact O-N 2.99Å; Q62-Q92 PolarHBondContact NE2-O 2.95Å; Q62-F97 HydrophobicContact CB-CE1 4.19Å; Q62-F97 HydrophobicContact CG-CD1 4.35Å; Q62-F97 HydrophobicContact CG-CE1 4.08Å; Q62-A101 HydrophobicContact CG-CB 3.93Å
63Q94.9Very high92.9Very high61 Ų6152.8 Ų52.829%0.28524%0.242SC..Hα-helixtrans-54.8-48.3173.9-71.4173-67.100111.1R59 F60 L65 L66 G67 V155R59-Q63 WeakPolarHBondContact O-CG 3.15Å; R59-Q63 PolarHBondContact O-N 3.23Å; F60-Q63 PolarHBondContact O-N 2.89Å; Q63-L65 PolarHBondContact O-N 3.25Å; Q63-L66 PolarHBondContact O-N 3.25Å; Q63-G67 PolarHBondContact O-N 2.99Å; Q63-V155 HydrophobicContact CB-CB 4.4Å; Q63-V155 HydrophobicContact CB-CG1 3.67Å; Q63-V155 HydrophobicContact CB-CG2 3.71Å; Q63-V155 HydrophobicContact CG-CG1 4.39Å
64I93.9Very high92.7Very high0 Ų051.5 Ų51.50%024%0.236CC..Hα-helixtrans-58.3-49.2176.6-69.3165.2000111.2F60 Q62 L66 G67 I68 F108 V152 V155F60-I64 HydrophobicContact CD1-CD1 4.37Å; F60-I64 HydrophobicContact CD2-CD1 4.11Å; F60-I64 HydrophobicContact CD2-CG1 4.46Å; F60-I64 HydrophobicContact CE1-CD1 4.09Å; F60-I64 HydrophobicContact CE2-CD1 3.83Å; F60-I64 HydrophobicContact CE2-CG1 4.29Å; F60-I64 HydrophobicContact CG-CD1 4.39Å; F60-I64 HydrophobicContact CZ-CD1 3.82Å; F60-I64 WeakPolarHBondContact O-CG1 3.34Å; F60-I64 PolarHBondContact O-N 3.46Å; F60-I64 VanDerWaalsContact O-N 3.08Å; Q62-I64 VanDerWaalsContact C-N 3.33Å; Q62-I64 PolarHBondContact O-N 2.99Å; I64-L66 VanDerWaalsContact C-N 3.35Å; I64-L66 PolarHBondContact O-N 2.79Å; I64-G67 PolarHBondContact O-N 3.4Å; I64-I68 HydrophobicContact CG2-CD1 3.99Å; I64-I68 WeakPolarHBondContact O-CG1 3.19Å; I64-I68 PolarHBondContact O-N 3.39Å; I64-F108 HydrophobicContact CD1-CE2 4.13Å; I64-V152 HydrophobicContact CD1-CG1 4.07Å; I64-V152 HydrophobicContact CD1-CG2 4.21Å; I64-V152 HydrophobicContact CG1-CG1 4.32Å; I64-V152 HydrophobicContact CG1-CG2 4.14Å; I64-V152 HydrophobicContact CG2-CG2 3.67Å; I64-V155 HydrophobicContact CG1-CB 4.47Å; I64-V155 HydrophobicContact CG1-CG2 4.39Å
65L93.5Very high92.5Very high0 Ų046.3 Ų46.30%021%0.209CC..Hα-helixtrans-64.9-35.9179.1-84.4176.2000113.3G61 Q62 Q63 I68 V69 F75 F97 Q100 A101 Y104G61-L65 PolarHBondContact O-N 3.15Å; G61-L65 VanDerWaalsContact O-N 3.08Å; Q62-L65 PolarHBondContact O-N 3.34Å; Q63-L65 PolarHBondContact O-N 3.25Å; L65-I68 HydrophobicContact CD2-CD1 4.33Å; L65-I68 WeakPolarHBondContact O-CB 3.44Å; L65-I68 PolarHBondContact O-N 2.93Å; L65-V69 WeakPolarHBondContact O-CG2 3.28Å; L65-V69 PolarHBondContact O-N 3.14Å; L65-F75 HydrophobicContact CD2-CE1 3.66Å; L65-F75 HydrophobicContact CD2-CZ 3.66Å; L65-F97 HydrophobicContact CB-CD2 4.48Å; L65-F97 HydrophobicContact CB-CE1 4.03Å; L65-F97 HydrophobicContact CB-CE2 3.6Å; L65-F97 HydrophobicContact CB-CZ 3.33Å; L65-F97 HydrophobicContact CD1-CD1 4.36Å; L65-F97 HydrophobicContact CD1-CD2 4.11Å; L65-F97 HydrophobicContact CD1-CE1 4.28Å; L65-F97 HydrophobicContact CD1-CE2 4.04Å; L65-F97 HydrophobicContact CD1-CG 4.28Å; L65-F97 HydrophobicContact CD1-CZ 4.12Å; L65-F97 WeakPolarHBondContact CD1-O 3.45Å; L65-F97 HydrophobicContact CG-CE2 4.35Å; L65-F97 HydrophobicContact CG-CZ 4.36Å; L65-Q100 HydrophobicContact CD1-CB 3.85Å; L65-Q100 HydrophobicContact CD1-CG 3.97Å; L65-Q100 HydrophobicContact CD2-CG 4.14Å; L65-A101 HydrophobicContact CD1-CB 3.94Å; L65-A101 VanDerWaalsContact CD1-N 3.34Å; L65-Y104 HydrophobicContact CD2-CD2 3.99Å; L65-Y104 HydrophobicContact CD2-CE2 3.5Å; L65-Y104 VanDerWaalsContact CD2-CE2 3.5Å; L65-Y104 HydrophobicContact CG-CD2 4.13Å; L65-Y104 HydrophobicContact CG-CE2 4.16Å
66L94.4Very high92.5Very high30 Ų3041.1 Ų41.116%0.15719%0.185CC..Hα-helixtrans-68-39.5174.9-69.2172.8000111.2Q62 Q63 I64 I68 V69 R70 P88 L91 Q92 F97Q62-L66 WeakPolarHBondContact O-CB 3.25Å; Q62-L66 VanDerWaalsContact O-CG 3.26Å; Q62-L66 WeakPolarHBondContact O-CG 3.28Å; Q62-L66 PolarHBondContact O-N 2.99Å; Q63-L66 PolarHBondContact O-N 3.25Å; I64-L66 VanDerWaalsContact C-N 3.35Å; I64-L66 PolarHBondContact O-N 2.79Å; L66-I68 VanDerWaalsContact C-N 3.29Å; L66-I68 PolarHBondContact O-N 3.23Å; L66-V69 PolarHBondContact O-N 2.9Å; L66-R70 WeakPolarHBondContact O-CB 3.47Å; L66-R70 PolarHBondContact O-N 3.16Å; L66-P88 HydrophobicContact CD1-CB 4.08Å; L66-P88 HydrophobicContact CD2-CB 3.82Å; L66-P88 HydrophobicContact CD2-CG 4.21Å; L66-L91 HydrophobicContact CD2-CB 4.19Å; L66-L91 HydrophobicContact CD2-CD1 4.09Å; L66-Q92 HydrophobicContact CD1-CG 4.04Å; L66-F97 HydrophobicContact CD2-CE1 4.35Å; L66-F97 HydrophobicContact CD2-CZ 3.74Å; L66-F97 HydrophobicContact CG-CE1 4.35Å; L66-F97 HydrophobicContact CG-CZ 3.89Å
67G93Very high92.3Very high3 Ų342.8 Ų42.83%0.03119%0.19CC..Hα-helixtrans-59.3-39.1170.700000112.5Q63 I64 R71 A151Q63-G67 PolarHBondContact O-N 2.99Å; I64-G67 PolarHBondContact O-N 3.4Å; G67-R71 WeakPolarHBondContact O-CB 3.36Å; G67-R71 WeakPolarHBondContact O-CD 3.32Å; G67-R71 VanDerWaalsContact O-CG 3.26Å; G67-R71 WeakPolarHBondContact O-CG 3.36Å; G67-R71 PolarHBondContact O-N 3.02Å; G67-R71 VanDerWaalsContact O-N 3.13Å; G67-A151 VanDerWaalsContact C-CB 3.46Å
68I92.4Very high92Very high3 Ų344 Ų442%0.01520%0.198CC..Hα-helixtrans-65.1-50.9174.4-66.9163.4000110.9I64 L65 L66 R70 R71 E72 F75 Y104 F148 A151I64-I68 HydrophobicContact CG2-CD1 3.99Å; I64-I68 WeakPolarHBondContact O-CG1 3.19Å; I64-I68 PolarHBondContact O-N 3.39Å; L65-I68 HydrophobicContact CD2-CD1 4.33Å; L65-I68 WeakPolarHBondContact O-CB 3.44Å; L65-I68 PolarHBondContact O-N 2.93Å; L66-I68 VanDerWaalsContact C-N 3.29Å; L66-I68 PolarHBondContact O-N 3.23Å; I68-R70 VanDerWaalsContact C-N 3.3Å; I68-R70 PolarHBondContact O-N 3.4Å; I68-R71 CarbonylContact O-C 3.52Å; I68-R71 PolarHBondContact O-N 2.69Å; I68-E72 PolarHBondContact O-N 2.78Å; I68-F75 HydrophobicContact CG2-CB 4.11Å; I68-F75 HydrophobicContact CG2-CD1 4.1Å; I68-F75 HydrophobicContact CG2-CD2 3.57Å; I68-F75 HydrophobicContact CG2-CE1 4.43Å; I68-F75 HydrophobicContact CG2-CE2 3.93Å; I68-F75 HydrophobicContact CG2-CG 3.66Å; I68-F75 HydrophobicContact CG2-CZ 4.35Å; I68-Y104 HydrophobicContact CD1-CE2 4.13Å; I68-F148 HydrophobicContact CD1-CB 4.28Å; I68-F148 HydrophobicContact CD1-CD2 3.46Å; I68-F148 VanDerWaalsContact CD1-CD2 3.46Å; I68-F148 HydrophobicContact CD1-CE2 4.13Å; I68-F148 HydrophobicContact CD1-CG 4.17Å; I68-F148 HydrophobicContact CG1-CB 4.5Å; I68-F148 HydrophobicContact CG1-CD2 4.49Å; I68-A151 HydrophobicContact CG1-CB 3.66Å
69V93Very high91.6Very high4 Ų445.4 Ų45.42%0.02420%0.201CC..Hα-helixtrans-64.8-33.7-179.7172.60000111.9L65 L66 R71 E72 P73 F75 L76 P86 L91L65-V69 WeakPolarHBondContact O-CG2 3.28Å; L65-V69 PolarHBondContact O-N 3.14Å; L66-V69 PolarHBondContact O-N 2.9Å; V69-R71 VanDerWaalsContact C-N 3.29Å; V69-R71 PolarHBondContact O-N 3.14Å; V69-E72 CarbonylContact O-C 3.59Å; V69-P73 WeakPolarHBondContact O-CA 3.38Å; V69-P73 WeakPolarHBondContact O-CG 3.26Å; V69-F75 HydrophobicContact CG2-CD1 3.98Å; V69-L76 HydrophobicContact CG1-CD1 3.94Å; V69-L76 HydrophobicContact CG1-CD2 4.45Å; V69-L76 HydrophobicContact CG1-CG 4.11Å; V69-L76 HydrophobicContact CG2-CD2 3.75Å; V69-L76 HydrophobicContact CG2-CG 4.04Å; V69-P86 HydrophobicContact CG1-CB 3.91Å; V69-L91 HydrophobicContact CB-CD1 4.46Å; V69-L91 HydrophobicContact CG1-CD1 3.99Å; V69-L91 HydrophobicContact CG2-CD1 4.31Å
70R91.7Very high91.2Very high147 Ų14747.1 Ų47.156%0.55521%0.213SC*.Hα-helixtrans-62.8-33.7171.6176.4173.269.5-172.1-1.1112.5L66 I68 E154L66-R70 WeakPolarHBondContact O-CB 3.47Å; L66-R70 PolarHBondContact O-N 3.16Å; I68-R70 VanDerWaalsContact C-N 3.3Å; I68-R70 PolarHBondContact O-N 3.4Å; R70-E154 IonicContact CZ-OE2 3.17Å; R70-E154 IonicContact NE-OE2 3.04Å; R70-E154 IonicContact NH2-OE1 3.79Å; R70-E154 PolarHBondContact NH2-OE1 3.3Å; R70-E154 IonicContact NH2-OE2 3.55Å; R70-E154 PolarHBondContact NH2-OE2 3.13Å
71R90.5Very high91.1Very high101 Ų10155.9 Ų55.938%0.38125%0.251SS..Hα-helixtrans-91.2-34.5-177.3-74172167.7-81.4161.2113.4G67 I68 V69 E154G67-R71 WeakPolarHBondContact O-CB 3.36Å; G67-R71 WeakPolarHBondContact O-CD 3.32Å; G67-R71 VanDerWaalsContact O-CG 3.26Å; G67-R71 WeakPolarHBondContact O-CG 3.36Å; G67-R71 PolarHBondContact O-N 3.02Å; G67-R71 VanDerWaalsContact O-N 3.13Å; I68-R71 CarbonylContact O-C 3.52Å; I68-R71 PolarHBondContact O-N 2.69Å; V69-R71 VanDerWaalsContact C-N 3.29Å; V69-R71 PolarHBondContact O-N 3.14Å; R71-E154 IonicContact CZ-OE1 3.24Å; R71-E154 IonicContact CZ-OE2 2.76Å; R71-E154 VanDerWaalsContact NE-CD 3.26Å; R71-E154 IonicContact NE-OE1 2.76Å; R71-E154 PolarHBondContact NE-OE1 3.36Å; R71-E154 IonicContact NE-OE2 3.95Å; R71-E154 PolarHBondContact NE-OE2 3.29Å; R71-E154 IonicContact NH1-OE1 2.95Å; R71-E154 PolarHBondContact NH1-OE1 3.35Å; R71-E154 IonicContact NH1-OE2 2.67Å
72E88.9Confident90.9Very high39 Ų3956.2 Ų56.218%0.18225%0.252CS..  trans-141.587.1177.9-71-65.6176.800110.3I68 V69 E74 F75 H143 F144 S147I68-E72 PolarHBondContact O-N 2.78Å; V69-E72 CarbonylContact O-C 3.59Å; E72-E74 PolarHBondContact O-N 3.4Å; E72-E74 VanDerWaalsContact O-N 3.12Å; E72-F75 WeakPolarHBondContact O-CB 3.41Å; E72-F75 PolarHBondContact O-N 3.47Å; E72-H143 IonicContact OE1-CD2 3.59Å; E72-H143 PolarHBondContact OE1-CD2 3.12Å; E72-H143 VanDerWaalsContact OE1-CD2 3.23Å; E72-H143 IonicContact OE1-NE2 3.88Å; E72-F144 HydrophobicContact CB-CD1 4.42Å; E72-F144 HydrophobicContact CB-CE1 4.07Å; E72-F144 HydrophobicContact CG-CD1 4.48Å; E72-F144 HydrophobicContact CG-CE1 4.38Å; E72-S147 WeakPolarHBondContact CG-OG 3.03Å
73P89.1Confident90.6Very high72 Ų7256.5 Ų56.547%0.46826%0.262SS..THydrogen-bonded Turntrans-57.6-26.9176.8-26.335.3000113.5V69 F75 L76V69-P73 WeakPolarHBondContact O-CA 3.38Å; V69-P73 WeakPolarHBondContact O-CG 3.26Å; P73-F75 PolarHBondContact O-N 3.24Å; P73-F75 VanDerWaalsContact O-N 3.15Å; P73-L76 PolarHBondContact O-N 3.03Å; P73-L76 VanDerWaalsContact O-N 3.14Å
74E87.9Confident90.5Very high90 Ų9058.7 Ų58.742%0.42128%0.28SS..THydrogen-bonded Turntrans-58.4-22.7174.5-63.9-61109.500113.2E72 L76 K77 F144E72-E74 PolarHBondContact O-N 3.4Å; E72-E74 VanDerWaalsContact O-N 3.12Å; E74-L76 PolarHBondContact O-N 3.03Å; E74-L76 VanDerWaalsContact O-N 3.16Å; E74-K77 WeakPolarHBondContact O-CB 3.23Å; E74-K77 PolarHBondContact O-N 3.08Å; E74-K77 WeakPolarHBondContact OE1-CE 3.45Å; E74-K77 IonicContact OE1-NZ 2.66Å; E74-K77 PolarHBondContact OE1-NZ 3.13Å; E74-K77 WeakPolarHBondContact OE2-CD 3.38Å; E74-K77 VanDerWaalsContact OE2-CE 3.3Å; E74-K77 WeakPolarHBondContact OE2-CE 3.35Å; E74-K77 IonicContact OE2-NZ 3.22Å; E74-K77 PolarHBondContact OE2-NZ 3.21Å; E74-F144 HydrophobicContact CB-CZ 4.13Å
75F88.3Confident90.4Very high12 Ų1262.3 Ų62.35%0.05330%0.299CS..Hα-helixtrans-52.6-34.9173.1178.7-92.2000112.8L65 I68 V69 E72 P73 K77 L78 Y79 M82 F144L65-F75 HydrophobicContact CD2-CE1 3.66Å; L65-F75 HydrophobicContact CD2-CZ 3.66Å; I68-F75 HydrophobicContact CG2-CB 4.11Å; I68-F75 HydrophobicContact CG2-CD1 4.1Å; I68-F75 HydrophobicContact CG2-CD2 3.57Å; I68-F75 HydrophobicContact CG2-CE1 4.43Å; I68-F75 HydrophobicContact CG2-CE2 3.93Å; I68-F75 HydrophobicContact CG2-CG 3.66Å; I68-F75 HydrophobicContact CG2-CZ 4.35Å; V69-F75 HydrophobicContact CG2-CD1 3.98Å; E72-F75 WeakPolarHBondContact O-CB 3.41Å; E72-F75 PolarHBondContact O-N 3.47Å; P73-F75 PolarHBondContact O-N 3.24Å; P73-F75 VanDerWaalsContact O-N 3.15Å; F75-K77 VanDerWaalsContact C-N 3.28Å; F75-K77 PolarHBondContact O-N 3.31Å; F75-L78 WeakPolarHBondContact O-CB 3.23Å; F75-L78 PolarHBondContact O-N 3.18Å; F75-Y79 HydrophobicContact CD1-CD2 4.26Å; F75-Y79 HydrophobicContact CD2-CD2 4.34Å; F75-Y79 HydrophobicContact CD2-CE2 4.26Å; F75-Y79 AromaticContact CE1-CD2 3.74Å; F75-Y79 HydrophobicContact CE1-CD2 3.74Å; F75-Y79 HydrophobicContact CE1-CE2 4.17Å; F75-Y79 AromaticContact CE2-CD2 3.86Å; F75-Y79 HydrophobicContact CE2-CD2 3.86Å; F75-Y79 AromaticContact CE2-CE2 3.51Å; F75-Y79 HydrophobicContact CE2-CE2 3.51Å; F75-Y79 AromaticContact CZ-CD2 3.52Å; F75-Y79 HydrophobicContact CZ-CD2 3.52Å; F75-Y79 AromaticContact CZ-CE2 3.45Å; F75-Y79 HydrophobicContact CZ-CE2 3.45Å; F75-Y79 VanDerWaalsContact CZ-CE2 3.45Å; F75-Y79 PolarHBondContact O-N 3.36Å; F75-M82 HydrophobicContact CE1-CE 4.32Å; F75-M82 HydrophobicContact CE1-SD 4.16Å; F75-F144 HydrophobicContact CB-CE1 4.45Å
76L91.3Very high90.4Very high3 Ų365.8 Ų65.82%0.01632%0.322CS..Hα-helixtrans-64.8-30.5177.9-66.8-179.7000112.8V69 P73 E74 L78 Y79 M82 P86 L91V69-L76 HydrophobicContact CG1-CD1 3.94Å; V69-L76 HydrophobicContact CG1-CD2 4.45Å; V69-L76 HydrophobicContact CG1-CG 4.11Å; V69-L76 HydrophobicContact CG2-CD2 3.75Å; V69-L76 HydrophobicContact CG2-CG 4.04Å; P73-L76 PolarHBondContact O-N 3.03Å; P73-L76 VanDerWaalsContact O-N 3.14Å; E74-L76 PolarHBondContact O-N 3.03Å; E74-L76 VanDerWaalsContact O-N 3.16Å; L76-L78 VanDerWaalsContact C-N 3.3Å; L76-L78 PolarHBondContact O-N 3.12Å; L76-Y79 CarbonylContact O-C 3.52Å; L76-Y79 PolarHBondContact O-N 3.36Å; L76-M82 HydrophobicContact CD2-CB 4.17Å; L76-M82 HydrophobicContact CD2-SD 4.28Å; L76-P86 HydrophobicContact CD1-CB 4.29Å; L76-L91 HydrophobicContact CD2-CD1 4.33Å; L76-L91 HydrophobicContact CD2-CD2 3.85Å
77K89.4Confident90.4Very high119 Ų11967.7 Ų67.752%0.51733%0.332SS..Hα-helixtrans-69.7-29.6177.5-57.8-176.4-169165.40112E74 F75E74-K77 WeakPolarHBondContact O-CB 3.23Å; E74-K77 PolarHBondContact O-N 3.08Å; E74-K77 WeakPolarHBondContact OE1-CE 3.45Å; E74-K77 IonicContact OE1-NZ 2.66Å; E74-K77 PolarHBondContact OE1-NZ 3.13Å; E74-K77 WeakPolarHBondContact OE2-CD 3.38Å; E74-K77 VanDerWaalsContact OE2-CE 3.3Å; E74-K77 WeakPolarHBondContact OE2-CE 3.35Å; E74-K77 IonicContact OE2-NZ 3.22Å; E74-K77 PolarHBondContact OE2-NZ 3.21Å; F75-K77 VanDerWaalsContact C-N 3.28Å; F75-K77 PolarHBondContact O-N 3.31Å
78L87.1Confident90.5Very high48 Ų4870.7 Ų70.725%0.25135%0.351SS..Hα-helixtrans-66.9-39.9172.6-54.4177000111.1F75 L76 L136 P137 L140 F144F75-L78 WeakPolarHBondContact O-CB 3.23Å; F75-L78 PolarHBondContact O-N 3.18Å; L76-L78 VanDerWaalsContact C-N 3.3Å; L76-L78 PolarHBondContact O-N 3.12Å; L78-L136 HydrophobicContact CB-CD2 3.96Å; L78-L136 HydrophobicContact CD1-CD2 4.32Å; L78-L136 HydrophobicContact CG-CD2 4.5Å; L78-P137 HydrophobicContact CD2-CG 4.22Å; L78-L140 HydrophobicContact CD1-CD1 3.85Å; L78-L140 HydrophobicContact CD2-CD1 4.32Å; L78-F144 HydrophobicContact CD1-CD1 4.21Å; L78-F144 HydrophobicContact CD1-CE1 4Å
79Y86.1Confident90.6Very high47 Ų4773.1 Ų73.118%0.18437%0.371CS..THydrogen-bonded Turntrans-107.360.1-174.8-71.1-80.5000113.4F75 L76 K81 M82 Q100 H132 L136F75-Y79 HydrophobicContact CD1-CD2 4.26Å; F75-Y79 HydrophobicContact CD2-CD2 4.34Å; F75-Y79 HydrophobicContact CD2-CE2 4.26Å; F75-Y79 AromaticContact CE1-CD2 3.74Å; F75-Y79 HydrophobicContact CE1-CD2 3.74Å; F75-Y79 HydrophobicContact CE1-CE2 4.17Å; F75-Y79 AromaticContact CE2-CD2 3.86Å; F75-Y79 HydrophobicContact CE2-CD2 3.86Å; F75-Y79 AromaticContact CE2-CE2 3.51Å; F75-Y79 HydrophobicContact CE2-CE2 3.51Å; F75-Y79 AromaticContact CZ-CD2 3.52Å; F75-Y79 HydrophobicContact CZ-CD2 3.52Å; F75-Y79 AromaticContact CZ-CE2 3.45Å; F75-Y79 HydrophobicContact CZ-CE2 3.45Å; F75-Y79 VanDerWaalsContact CZ-CE2 3.45Å; F75-Y79 PolarHBondContact O-N 3.36Å; L76-Y79 CarbonylContact O-C 3.52Å; L76-Y79 PolarHBondContact O-N 3.36Å; Y79-K81 PolarHBondContact O-N 2.99Å; Y79-M82 HydrophobicContact CD1-CE 4.23Å; Y79-M82 HydrophobicContact CD2-CE 4.47Å; Y79-M82 HydrophobicContact CG-CE 3.91Å; Y79-M82 HydrophobicContact CG-SD 4.37Å; Y79-M82 WeakPolarHBondContact O-CB 3.33Å; Y79-M82 PolarHBondContact O-N 2.74Å; Y79-Q100 PolarHBondContact OH-NE2 2.96Å; Y79-H132 PolarHBondContact OH-CD2 2.76Å; Y79-H132 PolarHBondContact OH-NE2 2.66Å; Y79-L136 HydrophobicContact CE2-CD2 4.44Å
80K85.9Confident90.7Very high184 Ų18476.2 Ų76.280%0.839%0.39SS*.G310 helixtrans-38.9-31.2-176.4-61.5-175.9-179.6-179.20117.3M82 G83K80-M82 VanDerWaalsContact C-N 3.28Å; K80-M82 PolarHBondContact O-N 3.35Å; K80-G83 PolarHBondContact O-N 3.28Å
81K90.7Very high90.9Very high184 Ų18469.2 Ų69.280%0.836%0.364SS*.G310 helixtrans-69.6-18177.4-66-172.5177.1-176.80114.5Y79 G83 N94 A96Y79-K81 PolarHBondContact O-N 2.99Å; K81-G83 VanDerWaalsContact C-N 3.29Å; K81-N94 PolarHBondContact O-ND2 3.47Å; K81-A96 HydrophobicContact CB-CB 3.63Å
82M91.4Very high91Very high7 Ų768.4 Ų68.43%0.03437%0.365CS..G310 helixtrans-77.5-15.9174.2-60.8-179.1-176.500112.6F75 L76 Y79 K80 L91 N94 F97 Q100F75-M82 HydrophobicContact CE1-CE 4.32Å; F75-M82 HydrophobicContact CE1-SD 4.16Å; L76-M82 HydrophobicContact CD2-CB 4.17Å; L76-M82 HydrophobicContact CD2-SD 4.28Å; Y79-M82 HydrophobicContact CD1-CE 4.23Å; Y79-M82 HydrophobicContact CD2-CE 4.47Å; Y79-M82 HydrophobicContact CG-CE 3.91Å; Y79-M82 HydrophobicContact CG-SD 4.37Å; Y79-M82 WeakPolarHBondContact O-CB 3.33Å; Y79-M82 PolarHBondContact O-N 2.74Å; K80-M82 VanDerWaalsContact C-N 3.28Å; K80-M82 PolarHBondContact O-N 3.35Å; M82-L91 HydrophobicContact CB-CD2 4.45Å; M82-N94 WeakPolarHBondContact CA-ND2 3.47Å; M82-N94 PolarHBondContact O-ND2 3.45Å; M82-F97 HydrophobicContact CE-CD2 4.49Å; M82-F97 HydrophobicContact CG-CB 4.25Å; M82-F97 HydrophobicContact CG-CD2 4.39Å; M82-F97 HydrophobicContact SD-CD2 3.78Å; M82-Q100 HydrophobicContact CE-CB 3.48Å; M82-Q100 VanDerWaalsContact CE-CB 3.48Å; M82-Q100 HydrophobicContact CE-CG 3.67Å
83G89.1Confident91.3Very high32 Ų3273.1 Ų73.133%0.3339%0.391SS..  trans76.9-175.4-163.900000111.7K80 K81K80-G83 PolarHBondContact O-N 3.28Å; K81-G83 VanDerWaalsContact C-N 3.29Å
84T92.6Very high91.6Very high108 Ų10871.5 Ų71.566%0.66338%0.378SS*.SBendtrans-118.89.9-176.956.40000113.6P86T84-P86 WeakPolarHBondContact O-CD 3.24Å
85N92.3Very high91.9Very high76 Ų7671.9 Ų71.941%0.40639%0.391SS..  trans-84.3120.7174-174.4-4.4000109.3D87 V90 L91N85-D87 VanDerWaalsContact C-N 3.27Å; N85-D87 PolarHBondContact O-N 3.41Å; N85-D87 VanDerWaalsContact OD1-CB 3.26Å; N85-D87 WeakPolarHBondContact OD1-CB 3.1Å; N85-D87 PolarHBondContact OD1-N 2.85Å; N85-V90 HydrophobicContact CB-CG1 4.36Å; N85-L91 WeakPolarHBondContact O-CD2 3.45Å; N85-L91 WeakPolarHBondContact O-CG 3.26Å
86P93.3Very high92.2Very high72 Ų7272.3 Ų72.347%0.46840%0.397SS..  trans-78.5-4.4178.733.4-37000114.4V69 L76 T84 P88V69-P86 HydrophobicContact CG1-CB 3.91Å; L76-P86 HydrophobicContact CD1-CB 4.29Å; T84-P86 WeakPolarHBondContact O-CD 3.24Å; P86-P88 WeakPolarHBondContact O-CD 3.48Å
87D94.3Very high92.4Very high70 Ų7072.2 Ų72.237%0.37440%0.396SS..  trans-54.4118.2178179.9-8.6000111.7N85 A89 V90 L91N85-D87 VanDerWaalsContact C-N 3.27Å; N85-D87 PolarHBondContact O-N 3.41Å; N85-D87 VanDerWaalsContact OD1-CB 3.26Å; N85-D87 WeakPolarHBondContact OD1-CB 3.1Å; N85-D87 PolarHBondContact OD1-N 2.85Å; D87-A89 PolarHBondContact O-N 3.08Å; D87-A89 WeakPolarHBondContact OD1-CB 3.49Å; D87-A89 PolarHBondContact OD1-N 2.9Å; D87-V90 HydrophobicContact CB-CB 4.17Å; D87-V90 HydrophobicContact CB-CG2 4.05Å; D87-V90 PolarHBondContact O-N 3.37Å; D87-V90 VanDerWaalsContact O-N 3.1Å; D87-L91 WeakPolarHBondContact O-CG 2.95Å; D87-L91 PolarHBondContact O-N 3.47Å
88P94.4Very high92.6Very high67 Ų6768.8 Ų68.844%0.43538%0.383SS..Hα-helixtrans-54.4-36.7177.5-27.836.3000114.2L66 P86 V90 L91 Q92L66-P88 HydrophobicContact CD1-CB 4.08Å; L66-P88 HydrophobicContact CD2-CB 3.82Å; L66-P88 HydrophobicContact CD2-CG 4.21Å; P86-P88 WeakPolarHBondContact O-CD 3.48Å; P88-V90 VanDerWaalsContact C-N 3.32Å; P88-V90 PolarHBondContact O-N 2.88Å; P88-L91 PolarHBondContact O-N 3.23Å; P88-Q92 VanDerWaalsContact O-CB 3.23Å; P88-Q92 WeakPolarHBondContact O-CB 3.43Å; P88-Q92 WeakPolarHBondContact O-CG 3.39Å; P88-Q92 PolarHBondContact O-N 3.43Å
89A94.9Very high93Very high53 Ų5367.9 Ų67.944%0.43838%0.383SS..Hα-helixtrans-68.8-33-179.400000111.9D87 N93D87-A89 PolarHBondContact O-N 3.08Å; D87-A89 WeakPolarHBondContact OD1-CB 3.49Å; D87-A89 PolarHBondContact OD1-N 2.9Å; A89-N93 PolarHBondContact O-ND2 3.44Å
90V95Very high93.3Very high69 Ų6966.1 Ų66.142%0.41838%0.376SS..Hα-helixtrans-75.8-42.5174.8176.40000110.9N85 D87 P88 N93 N94N85-V90 HydrophobicContact CB-CG1 4.36Å; D87-V90 HydrophobicContact CB-CB 4.17Å; D87-V90 HydrophobicContact CB-CG2 4.05Å; D87-V90 PolarHBondContact O-N 3.37Å; D87-V90 VanDerWaalsContact O-N 3.1Å; P88-V90 VanDerWaalsContact C-N 3.32Å; P88-V90 PolarHBondContact O-N 2.88Å; V90-N93 PolarHBondContact O-N 3.22Å; V90-N94 PolarHBondContact O-N 2.96Å
91L95.6Very high93.7Very high0 Ų057.3 Ų57.30%034%0.338CS..Hα-helixtrans-69-42-179.9-69.8174.7000112.8L66 V69 L76 M82 N85 D87 P88 N93 N94 F97L66-L91 HydrophobicContact CD2-CB 4.19Å; L66-L91 HydrophobicContact CD2-CD1 4.09Å; V69-L91 HydrophobicContact CB-CD1 4.46Å; V69-L91 HydrophobicContact CG1-CD1 3.99Å; V69-L91 HydrophobicContact CG2-CD1 4.31Å; L76-L91 HydrophobicContact CD2-CD1 4.33Å; L76-L91 HydrophobicContact CD2-CD2 3.85Å; M82-L91 HydrophobicContact CB-CD2 4.45Å; N85-L91 WeakPolarHBondContact O-CD2 3.45Å; N85-L91 WeakPolarHBondContact O-CG 3.26Å; D87-L91 WeakPolarHBondContact O-CG 2.95Å; D87-L91 PolarHBondContact O-N 3.47Å; P88-L91 PolarHBondContact O-N 3.23Å; L91-N93 PolarHBondContact O-N 3.1Å; L91-N94 WeakPolarHBondContact O-CB 3.24Å; L91-N94 PolarHBondContact O-N 3.16Å; L91-F97 HydrophobicContact CB-CD1 4.27Å; L91-F97 HydrophobicContact CB-CD2 3.97Å; L91-F97 HydrophobicContact CB-CE1 4.19Å; L91-F97 HydrophobicContact CB-CE2 3.89Å; L91-F97 HydrophobicContact CB-CG 4.16Å; L91-F97 HydrophobicContact CB-CZ 4Å; L91-F97 HydrophobicContact CD1-CE2 4.03Å; L91-F97 HydrophobicContact CD2-CD2 3.94Å; L91-F97 HydrophobicContact CD2-CE2 4.25Å; L91-F97 HydrophobicContact CG-CD2 4.38Å; L91-F97 HydrophobicContact CG-CE2 4.29Å; L91-F97 WeakPolarHBondContact O-CB 3.47Å; L91-F97 WeakPolarHBondContact O-CD1 3.43Å; L91-F97 WeakPolarHBondContact O-CG 3.34Å
92Q94.2Very high93.9Very high85 Ų8552.4 Ų52.440%0.39732%0.318SS..Hα-helixtrans-60.2-30.1178.5-77.1171.7-12.100112.8Q62 L66 P88 I98Q62-Q92 PolarHBondContact NE2-O 2.95Å; L66-Q92 HydrophobicContact CD1-CG 4.04Å; P88-Q92 VanDerWaalsContact O-CB 3.23Å; P88-Q92 WeakPolarHBondContact O-CB 3.43Å; P88-Q92 WeakPolarHBondContact O-CG 3.39Å; P88-Q92 PolarHBondContact O-N 3.43Å; Q92-I98 WeakPolarHBondContact O-CD1 3.26Å; Q92-I98 WeakPolarHBondContact O-CG1 3.5Å
93N93.7Very high94Very high138 Ų13858.1 Ų58.174%0.73834%0.339SS*.THydrogen-bonded Turntrans-88.7-6.5176.3-72.9-70.4000113.9A89 V90 L91 S95A89-N93 PolarHBondContact O-ND2 3.44Å; V90-N93 PolarHBondContact O-N 3.22Å; L91-N93 PolarHBondContact O-N 3.1Å; N93-S95 PolarHBondContact O-N 3.48Å
94N95.2Very high94.1Very high37 Ų3757.7 Ų57.720%0.19833%0.327CS..  trans-79.7120.7179.4-178.8-61.3000111.3K81 M82 V90 L91 A96 F97 I98K81-N94 PolarHBondContact O-ND2 3.47Å; M82-N94 WeakPolarHBondContact CA-ND2 3.47Å; M82-N94 PolarHBondContact O-ND2 3.45Å; V90-N94 PolarHBondContact O-N 2.96Å; L91-N94 WeakPolarHBondContact O-CB 3.24Å; L91-N94 PolarHBondContact O-N 3.16Å; N94-A96 VanDerWaalsContact C-N 3.31Å; N94-A96 PolarHBondContact O-N 3.14Å; N94-A96 WeakPolarHBondContact OD1-CA 3.13Å; N94-A96 WeakPolarHBondContact OD1-CB 3.49Å; N94-A96 PolarHBondContact OD1-N 3.05Å; N94-F97 HydrophobicContact CB-CB 3.9Å; N94-F97 WeakPolarHBondContact O-CB 3.47Å; N94-F97 PolarHBondContact O-N 2.74Å; N94-F97 VanDerWaalsContact O-N 3.09Å; N94-F97 PolarHBondContact OD1-N 3.39Å; N94-I98 WeakPolarHBondContact O-CG1 3.48Å; N94-I98 PolarHBondContact O-N 3.47Å
95S95.4Very high94.1Very high99 Ų9952.7 Ų52.769%0.69230%0.297SS*.Hα-helixtrans-63.6-28.9-177.160.80000114.7N93 A99N93-S95 PolarHBondContact O-N 3.48Å; S95-A99 VanDerWaalsContact O-CB 3.25Å; S95-A99 WeakPolarHBondContact O-CB 3.4Å; S95-A99 PolarHBondContact O-N 3.43Å
96A94.2Very high94.2Very high21 Ų2152.8 Ų52.817%0.17430%0.304CS..Hα-helixtrans-76-32.1174.500000112.4K81 N94 Q100K81-A96 HydrophobicContact CB-CB 3.63Å; N94-A96 VanDerWaalsContact C-N 3.31Å; N94-A96 PolarHBondContact O-N 3.14Å; N94-A96 WeakPolarHBondContact OD1-CA 3.13Å; N94-A96 WeakPolarHBondContact OD1-CB 3.49Å; N94-A96 PolarHBondContact OD1-N 3.05Å; A96-Q100 PolarHBondContact O-N 3.13Å; A96-Q100 VanDerWaalsContact O-N 3.08Å
97F94.8Very high94.3Very high0 Ų050.4 Ų50.40%029%0.287CS..Hα-helixtrans-67.7-51172-173.3-90.9000110.9Q62 L65 L66 M82 L91 N94 A99 Q100 A101Q62-F97 HydrophobicContact CB-CE1 4.19Å; Q62-F97 HydrophobicContact CG-CD1 4.35Å; Q62-F97 HydrophobicContact CG-CE1 4.08Å; L65-F97 HydrophobicContact CB-CD2 4.48Å; L65-F97 HydrophobicContact CB-CE1 4.03Å; L65-F97 HydrophobicContact CB-CE2 3.6Å; L65-F97 HydrophobicContact CB-CZ 3.33Å; L65-F97 HydrophobicContact CD1-CD1 4.36Å; L65-F97 HydrophobicContact CD1-CD2 4.11Å; L65-F97 HydrophobicContact CD1-CE1 4.28Å; L65-F97 HydrophobicContact CD1-CE2 4.04Å; L65-F97 HydrophobicContact CD1-CG 4.28Å; L65-F97 HydrophobicContact CD1-CZ 4.12Å; L65-F97 WeakPolarHBondContact CD1-O 3.45Å; L65-F97 HydrophobicContact CG-CE2 4.35Å; L65-F97 HydrophobicContact CG-CZ 4.36Å; L66-F97 HydrophobicContact CD2-CE1 4.35Å; L66-F97 HydrophobicContact CD2-CZ 3.74Å; L66-F97 HydrophobicContact CG-CE1 4.35Å; L66-F97 HydrophobicContact CG-CZ 3.89Å; M82-F97 HydrophobicContact CE-CD2 4.49Å; M82-F97 HydrophobicContact CG-CB 4.25Å; M82-F97 HydrophobicContact CG-CD2 4.39Å; M82-F97 HydrophobicContact SD-CD2 3.78Å; L91-F97 HydrophobicContact CB-CD1 4.27Å; L91-F97 HydrophobicContact CB-CD2 3.97Å; L91-F97 HydrophobicContact CB-CE1 4.19Å; L91-F97 HydrophobicContact CB-CE2 3.89Å; L91-F97 HydrophobicContact CB-CG 4.16Å; L91-F97 HydrophobicContact CB-CZ 4Å; L91-F97 HydrophobicContact CD1-CE2 4.03Å; L91-F97 HydrophobicContact CD2-CD2 3.94Å; L91-F97 HydrophobicContact CD2-CE2 4.25Å; L91-F97 HydrophobicContact CG-CD2 4.38Å; L91-F97 HydrophobicContact CG-CE2 4.29Å; L91-F97 WeakPolarHBondContact O-CB 3.47Å; L91-F97 WeakPolarHBondContact O-CD1 3.43Å; L91-F97 WeakPolarHBondContact O-CG 3.34Å; N94-F97 HydrophobicContact CB-CB 3.9Å; N94-F97 WeakPolarHBondContact O-CB 3.47Å; N94-F97 PolarHBondContact O-N 2.74Å; N94-F97 VanDerWaalsContact O-N 3.09Å; N94-F97 PolarHBondContact OD1-N 3.39Å; F97-A99 VanDerWaalsContact C-N 3.29Å; F97-A99 PolarHBondContact O-N 3.31Å; F97-Q100 PolarHBondContact O-N 2.83Å; F97-A101 PolarHBondContact O-N 3.33Å
98I94.9Very high94.3Very high47 Ų4747.1 Ų47.124%0.24127%0.27CS..Hα-helixtrans-53.1-46.9172.8-64.2165.6000110.8T58 Q92 N94 Q100 A101 Q102T58-I98 HydrophobicContact CG2-CG2 3.95Å; Q92-I98 WeakPolarHBondContact O-CD1 3.26Å; Q92-I98 WeakPolarHBondContact O-CG1 3.5Å; N94-I98 WeakPolarHBondContact O-CG1 3.48Å; N94-I98 PolarHBondContact O-N 3.47Å; I98-Q100 VanDerWaalsContact C-N 3.28Å; I98-Q100 PolarHBondContact O-N 2.93Å; I98-A101 WeakPolarHBondContact O-CB 3.2Å; I98-A101 PolarHBondContact O-N 2.78Å; I98-Q102 WeakPolarHBondContact O-CG 3.33Å; I98-Q102 PolarHBondContact O-N 2.89Å
99A94.4Very high94.3Very high30 Ų3047.4 Ų47.425%0.24826%0.264CS..Hα-helixtrans-66.8-26.6179.100000113.3S95 F97 R103S95-A99 VanDerWaalsContact O-CB 3.25Å; S95-A99 WeakPolarHBondContact O-CB 3.4Å; S95-A99 PolarHBondContact O-N 3.43Å; F97-A99 VanDerWaalsContact C-N 3.29Å; F97-A99 PolarHBondContact O-N 3.31Å; A99-R103 WeakPolarHBondContact O-CG 3.41Å; A99-R103 PolarHBondContact O-N 2.95Å; A99-R103 PolarHBondContact O-NE 2.98Å; A99-R103 PolarHBondContact O-NH1 3.28Å
100Q93.1Very high94.2Very high9 Ų946.6 Ų46.64%0.04225%0.252CS..Hα-helixtrans-77.9-40.4173.2-173.773.7-1.900111.6L65 Y79 M82 A96 F97 I98 Q102 R103 Y104L65-Q100 HydrophobicContact CD1-CB 3.85Å; L65-Q100 HydrophobicContact CD1-CG 3.97Å; L65-Q100 HydrophobicContact CD2-CG 4.14Å; Y79-Q100 PolarHBondContact OH-NE2 2.96Å; M82-Q100 HydrophobicContact CE-CB 3.48Å; M82-Q100 VanDerWaalsContact CE-CB 3.48Å; M82-Q100 HydrophobicContact CE-CG 3.67Å; A96-Q100 PolarHBondContact O-N 3.13Å; A96-Q100 VanDerWaalsContact O-N 3.08Å; F97-Q100 PolarHBondContact O-N 2.83Å; I98-Q100 VanDerWaalsContact C-N 3.28Å; I98-Q100 PolarHBondContact O-N 2.93Å; Q100-Q102 VanDerWaalsContact C-N 3.29Å; Q100-Q102 PolarHBondContact O-N 3.35Å; Q100-R103 WeakPolarHBondContact O-CB 3.38Å; Q100-R103 PolarHBondContact O-N 2.96Å; Q100-R103 VanDerWaalsContact OE1-CZ 3.22Å; Q100-Y104 HydrophobicContact CG-CE2 4.15Å; Q100-Y104 VanDerWaalsContact NE2-CE1 3.26Å; Q100-Y104 PolarHBondContact NE2-OH 2.76Å; Q100-Y104 VanDerWaalsContact NE2-OH 3.15Å; Q100-Y104 PolarHBondContact O-N 3.42Å
101A94.1Very high94.1Very high0 Ų043.3 Ų43.30%023%0.232CC..Hα-helixtrans-52.9-49.7172.900000110.8G61 Q62 L65 F97 I98 R103 Y104 V105G61-A101 WeakPolarHBondContact O-CB 3.39Å; Q62-A101 HydrophobicContact CG-CB 3.93Å; L65-A101 HydrophobicContact CD1-CB 3.94Å; L65-A101 VanDerWaalsContact CD1-N 3.34Å; F97-A101 PolarHBondContact O-N 3.33Å; I98-A101 WeakPolarHBondContact O-CB 3.2Å; I98-A101 PolarHBondContact O-N 2.78Å; A101-R103 VanDerWaalsContact C-N 3.33Å; A101-R103 PolarHBondContact O-N 3.23Å; A101-Y104 PolarHBondContact O-N 3Å; A101-V105 PolarHBondContact O-N 2.95Å
102Q94.4Very high94Very high80 Ų8043.4 Ų43.437%0.37423%0.233SC..Hα-helixtrans-64.2-33.6177.2-69.8174.2-14.700113T58 I98 Q100 S106T58-Q102 HydrophobicContact CG2-CG 4.24Å; T58-Q102 PolarHBondContact OG1-NE2 2.94Å; I98-Q102 WeakPolarHBondContact O-CG 3.33Å; I98-Q102 PolarHBondContact O-N 2.89Å; Q100-Q102 VanDerWaalsContact C-N 3.29Å; Q100-Q102 PolarHBondContact O-N 3.35Å; Q102-S106 WeakPolarHBondContact O-CB 3.19Å; Q102-S106 PolarHBondContact O-N 2.8Å
103R92.9Very high93.9Very high128 Ų12843.5 Ų43.548%0.48323%0.232SC..Hα-helixtrans-66.3-44.5173.6-79.6-176.1-65.7-86.22.9112.2A99 Q100 A101 S106 T107A99-R103 WeakPolarHBondContact O-CG 3.41Å; A99-R103 PolarHBondContact O-N 2.95Å; A99-R103 PolarHBondContact O-NE 2.98Å; A99-R103 PolarHBondContact O-NH1 3.28Å; Q100-R103 WeakPolarHBondContact O-CB 3.38Å; Q100-R103 PolarHBondContact O-N 2.96Å; Q100-R103 VanDerWaalsContact OE1-CZ 3.22Å; A101-R103 VanDerWaalsContact C-N 3.33Å; A101-R103 PolarHBondContact O-N 3.23Å; R103-S106 PolarHBondContact O-N 3.18Å; R103-T107 PolarHBondContact O-N 3.48Å; R103-T107 VanDerWaalsContact O-N 3.1Å; R103-T107 PolarHBondContact O-OG1 3.17Å; R103-T107 VanDerWaalsContact O-OG1 3.1Å
104Y91.6Very high93.8Very high22 Ų2239.4 Ų39.49%0.08621%0.209CC..Hα-helixtrans-65.3-44.4177.2-69.9-20.5000112.2L65 I68 Q100 A101 S106 T107 F108 F148L65-Y104 HydrophobicContact CD2-CD2 3.99Å; L65-Y104 HydrophobicContact CD2-CE2 3.5Å; L65-Y104 VanDerWaalsContact CD2-CE2 3.5Å; L65-Y104 HydrophobicContact CG-CD2 4.13Å; L65-Y104 HydrophobicContact CG-CE2 4.16Å; I68-Y104 HydrophobicContact CD1-CE2 4.13Å; Q100-Y104 HydrophobicContact CG-CE2 4.15Å; Q100-Y104 VanDerWaalsContact NE2-CE1 3.26Å; Q100-Y104 PolarHBondContact NE2-OH 2.76Å; Q100-Y104 VanDerWaalsContact NE2-OH 3.15Å; Q100-Y104 PolarHBondContact O-N 3.42Å; A101-Y104 PolarHBondContact O-N 3Å; Y104-S106 VanDerWaalsContact C-N 3.32Å; Y104-S106 PolarHBondContact O-N 3.39Å; Y104-T107 WeakPolarHBondContact O-CB 3.47Å; Y104-T107 PolarHBondContact O-N 3.02Å; Y104-T107 VanDerWaalsContact O-N 3.12Å; Y104-F108 WeakPolarHBondContact O-CD2 3.23Å; Y104-F108 PolarHBondContact O-N 3.47Å; Y104-F108 VanDerWaalsContact O-N 3.09Å; Y104-F148 HydrophobicContact CD1-CE2 4.2Å; Y104-F148 AromaticContact CD2-CE2 3.8Å; Y104-F148 HydrophobicContact CD2-CE2 3.8Å; Y104-F148 HydrophobicContact CE1-CE2 4.14Å; Y104-F148 HydrophobicContact CE2-CD2 4.17Å; Y104-F148 AromaticContact CE2-CE2 3.72Å; Y104-F148 HydrophobicContact CE2-CE2 3.72Å; Y104-F148 HydrophobicContact CG-CE2 4.04Å; Y104-F148 AromaticContact CZ-CE2 3.91Å
105V94.1Very high93.4Very high4 Ų437.9 Ų37.92%0.02420%0.202CC..Hα-helixtrans-68-32.3177.7176.60000112.1F50 Q57 F60 A101 T107 F108 K109F50-V105 HydrophobicContact CE1-CG1 4.07Å; F50-V105 HydrophobicContact CZ-CG1 3.8Å; Q57-V105 HydrophobicContact CB-CG1 3.83Å; Q57-V105 HydrophobicContact CG-CG1 3.98Å; Q57-V105 WeakPolarHBondContact O-CG2 3.36Å; F60-V105 HydrophobicContact CD1-CG1 4.26Å; F60-V105 HydrophobicContact CD1-CG2 3.8Å; F60-V105 HydrophobicContact CE1-CG2 4.46Å; F60-V105 HydrophobicContact CG-CG2 4.43Å; A101-V105 PolarHBondContact O-N 2.95Å; V105-T107 VanDerWaalsContact C-N 3.34Å; V105-T107 PolarHBondContact O-N 2.69Å; V105-F108 PolarHBondContact O-N 3.23Å; V105-K109 VanDerWaalsContact O-CB 3.26Å; V105-K109 WeakPolarHBondContact O-CB 3.42Å; V105-K109 PolarHBondContact O-N 3.38Å
106S94.5Very high93Very high78 Ų7839 Ų3955%0.54520%0.196SC..Hα-helixtrans-61.3-40.3169.5-170.90000112.4Q102 R103 Y104 K109 M110Q102-S106 WeakPolarHBondContact O-CB 3.19Å; Q102-S106 PolarHBondContact O-N 2.8Å; R103-S106 PolarHBondContact O-N 3.18Å; Y104-S106 VanDerWaalsContact C-N 3.32Å; Y104-S106 PolarHBondContact O-N 3.39Å; S106-K109 PolarHBondContact O-N 3.44Å; S106-M110 WeakPolarHBondContact O-CB 3.42Å; S106-M110 PolarHBondContact O-N 3.43Å
107T94.3Very high92.7Very high21 Ų2144.1 Ų44.113%0.12921%0.214CC..Hα-helixtrans-62.2-47.3174.7-560000112.2R103 Y104 V105 M110 A111 L125 I128 V185R103-T107 PolarHBondContact O-N 3.48Å; R103-T107 VanDerWaalsContact O-N 3.1Å; R103-T107 PolarHBondContact O-OG1 3.17Å; R103-T107 VanDerWaalsContact O-OG1 3.1Å; Y104-T107 WeakPolarHBondContact O-CB 3.47Å; Y104-T107 PolarHBondContact O-N 3.02Å; Y104-T107 VanDerWaalsContact O-N 3.12Å; V105-T107 VanDerWaalsContact C-N 3.34Å; V105-T107 PolarHBondContact O-N 2.69Å; T107-M110 PolarHBondContact O-N 3.17Å; T107-A111 PolarHBondContact O-N 3.24Å; T107-A111 VanDerWaalsContact O-N 3.14Å; T107-L125 HydrophobicContact CG2-CD2 3.52Å; T107-I128 HydrophobicContact CG2-CD1 3.82Å; T107-V185 HydrophobicContact CG2-CG1 4.23Å
108F93.9Very high92.2Very high1 Ų147.1 Ų47.10%0.00423%0.228CC..Hα-helixtrans-64.2-41.2175.7-67.7-65.5000112F50 I64 Y104 V105 M110 A111 V112 F148 V152 L181 I182 V185F50-F108 HydrophobicContact CE2-CB 3.85Å; F50-F108 HydrophobicContact CZ-CB 4.23Å; I64-F108 HydrophobicContact CD1-CE2 4.13Å; Y104-F108 WeakPolarHBondContact O-CD2 3.23Å; Y104-F108 PolarHBondContact O-N 3.47Å; Y104-F108 VanDerWaalsContact O-N 3.09Å; V105-F108 PolarHBondContact O-N 3.23Å; F108-M110 VanDerWaalsContact C-N 3.33Å; F108-M110 PolarHBondContact O-N 3.07Å; F108-A111 PolarHBondContact O-N 2.88Å; F108-A111 VanDerWaalsContact O-N 3.17Å; F108-V112 WeakPolarHBondContact O-CG2 3.46Å; F108-V112 PolarHBondContact O-N 3.23Å; F108-F148 AromaticContact CE2-CZ 4Å; F108-F148 HydrophobicContact CE2-CZ 4Å; F108-F148 AromaticContact CZ-CE1 3.78Å; F108-F148 HydrophobicContact CZ-CE1 3.78Å; F108-F148 AromaticContact CZ-CZ 3.69Å; F108-F148 HydrophobicContact CZ-CZ 3.69Å; F108-V152 HydrophobicContact CE2-CG1 4.5Å; F108-V152 HydrophobicContact CE2-CG2 4.27Å; F108-V152 HydrophobicContact CZ-CG1 4.15Å; F108-V152 HydrophobicContact CZ-CG2 3.89Å; F108-L181 HydrophobicContact CD1-CD2 4.26Å; F108-L181 HydrophobicContact CD1-CG 4.43Å; F108-I182 HydrophobicContact CE1-CG1 4.2Å; F108-V185 HydrophobicContact CD1-CG1 4.43Å; F108-V185 HydrophobicContact CD1-CG2 4.13Å; F108-V185 HydrophobicContact CE1-CB 4.14Å; F108-V185 HydrophobicContact CE1-CG1 3.98Å; F108-V185 HydrophobicContact CE1-CG2 4.24Å
109K94.5Very high91.8Very high73 Ų7349.3 Ų49.332%0.31724%0.244SC..Hα-helixtrans-60.1-42.8177.3-166.2171.1-173166.70111.7F50 V105 S106 V112 F113F50-K109 HydrophobicContact CD1-CG 4.33Å; F50-K109 HydrophobicContact CE1-CB 3.7Å; F50-K109 HydrophobicContact CE1-CD 4.01Å; F50-K109 HydrophobicContact CE1-CG 3.77Å; F50-K109 HydrophobicContact CE2-CB 4.38Å; F50-K109 HydrophobicContact CZ-CB 3.56Å; F50-K109 HydrophobicContact CZ-CG 4.15Å; V105-K109 VanDerWaalsContact O-CB 3.26Å; V105-K109 WeakPolarHBondContact O-CB 3.42Å; V105-K109 PolarHBondContact O-N 3.38Å; S106-K109 PolarHBondContact O-N 3.44Å; K109-V112 PolarHBondContact O-N 3.08Å; K109-F113 HydrophobicContact CG-CD2 3.74Å; K109-F113 HydrophobicContact CG-CE2 4.16Å; K109-F113 WeakPolarHBondContact O-CB 3.25Å; K109-F113 WeakPolarHBondContact O-CD2 3.41Å; K109-F113 PolarHBondContact O-N 3.37Å
110M93.8Very high91.5Very high37 Ų3752.3 Ų52.318%0.18225%0.252CS..Hα-helixtrans-59.9-45.2174.4178.1-172.969.100111.7S106 T107 F108 M114 I121 Q124 L125 I128S106-M110 WeakPolarHBondContact O-CB 3.42Å; S106-M110 PolarHBondContact O-N 3.43Å; T107-M110 PolarHBondContact O-N 3.17Å; F108-M110 VanDerWaalsContact C-N 3.33Å; F108-M110 PolarHBondContact O-N 3.07Å; M110-M114 HydrophobicContact CG-SD 4.1Å; M110-M114 VanDerWaalsContact O-CB 3.24Å; M110-M114 WeakPolarHBondContact O-CB 3.33Å; M110-M114 WeakPolarHBondContact O-CG 3.31Å; M110-M114 PolarHBondContact O-N 3.38Å; M110-M114 VanDerWaalsContact O-N 3.14Å; M110-I121 HydrophobicContact CE-CG2 4.43Å; M110-Q124 HydrophobicContact CE-CB 3.52Å; M110-Q124 HydrophobicContact CE-CG 4.36Å; M110-Q124 HydrophobicContact SD-CB 3.54Å; M110-Q124 VanDerWaalsContact SD-CB 3.54Å; M110-Q124 HydrophobicContact SD-CG 3.72Å; M110-L125 HydrophobicContact CE-CD2 4.2Å; M110-L125 HydrophobicContact CE-CG 4.49Å; M110-I128 HydrophobicContact CE-CD1 4.36Å
111A92.4Very high91.4Very high0 Ų051.9 Ų51.90%025%0.25CC..Hα-helixtrans-65.2-43.717900000112.5T107 F108 A115 I121 L181 V185T107-A111 PolarHBondContact O-N 3.24Å; T107-A111 VanDerWaalsContact O-N 3.14Å; F108-A111 PolarHBondContact O-N 2.88Å; F108-A111 VanDerWaalsContact O-N 3.17Å; A111-A115 WeakPolarHBondContact O-CA 3.45Å; A111-A115 PolarHBondContact O-N 2.92Å; A111-I121 HydrophobicContact CB-CG2 4.16Å; A111-I121 WeakPolarHBondContact O-CD1 3.45Å; A111-L181 HydrophobicContact CB-CD1 3.68Å; A111-V185 HydrophobicContact CB-CG2 4.02Å
112V92.9Very high91.1Very high2 Ų252.8 Ų52.81%0.01225%0.254CS..Hα-helixtrans-68.3-47.7179.3172.10000113L46 R47 F50 F108 K109 M114 L181L46-V112 HydrophobicContact CB-CG1 3.86Å; L46-V112 HydrophobicContact CB-CG2 4.02Å; L46-V112 HydrophobicContact CD1-CG2 4.36Å; L46-V112 HydrophobicContact CD2-CG2 4.49Å; R47-V112 HydrophobicContact CB-CG1 4.42Å; R47-V112 HydrophobicContact CG-CG1 3.6Å; R47-V112 PolarHBondContact NE-O 3.07Å; R47-V112 PolarHBondContact NH2-O 3.28Å; F50-V112 HydrophobicContact CD2-CB 4.4Å; F50-V112 HydrophobicContact CD2-CG2 4.05Å; F50-V112 HydrophobicContact CE2-CG2 4.39Å; F108-V112 WeakPolarHBondContact O-CG2 3.46Å; F108-V112 PolarHBondContact O-N 3.23Å; K109-V112 PolarHBondContact O-N 3.08Å; V112-M114 VanDerWaalsContact C-N 3.33Å; V112-M114 PolarHBondContact O-N 3.02Å; V112-L181 HydrophobicContact CG2-CD1 4.07Å; V112-L181 HydrophobicContact CG2-CD2 3.45Å; V112-L181 VanDerWaalsContact CG2-CD2 3.45Å; V112-L181 HydrophobicContact CG2-CG 4.42Å
113F93.4Very high90.9Very high86 Ų8653.7 Ų53.738%0.37726%0.261SS..Hα-helixtrans-90.16-173.4-69.5-85.4000113.9R47 F50 K109R47-F113 HydrophobicContact CB-CE1 4.3Å; R47-F113 HydrophobicContact CB-CZ 4.48Å; R47-F113 HydrophobicContact CG-CD1 4.21Å; R47-F113 HydrophobicContact CG-CE1 3.97Å; R47-F113 HydrophobicContact CG-CZ 4.34Å; F50-F113 HydrophobicContact CB-CE2 3.83Å; F50-F113 HydrophobicContact CB-CZ 4.15Å; F50-F113 AromaticContact CD1-CE2 3.91Å; F50-F113 HydrophobicContact CD1-CE2 3.91Å; F50-F113 AromaticContact CG-CE2 3.83Å; F50-F113 HydrophobicContact CG-CE2 3.83Å; K109-F113 HydrophobicContact CG-CD2 3.74Å; K109-F113 HydrophobicContact CG-CE2 4.16Å; K109-F113 WeakPolarHBondContact O-CB 3.25Å; K109-F113 WeakPolarHBondContact O-CD2 3.41Å; K109-F113 PolarHBondContact O-N 3.37Å
114M91.2Very high90.9Very high52 Ų5251.1 Ų51.126%0.25626%0.255SS..THydrogen-bonded Turntrans-133.215.1172.3-51.6-173.865.500113.4M110 V112 E116 K117 F120 I121M110-M114 HydrophobicContact CG-SD 4.1Å; M110-M114 VanDerWaalsContact O-CB 3.24Å; M110-M114 WeakPolarHBondContact O-CB 3.33Å; M110-M114 WeakPolarHBondContact O-CG 3.31Å; M110-M114 PolarHBondContact O-N 3.38Å; M110-M114 VanDerWaalsContact O-N 3.14Å; V112-M114 VanDerWaalsContact C-N 3.33Å; V112-M114 PolarHBondContact O-N 3.02Å; M114-E116 PolarHBondContact O-N 2.91Å; M114-E116 VanDerWaalsContact O-N 3.08Å; M114-K117 HydrophobicContact CE-CD 4.01Å; M114-K117 WeakPolarHBondContact O-CA 3.4Å; M114-K117 WeakPolarHBondContact O-CB 3.47Å; M114-K117 PolarHBondContact O-N 2.95Å; M114-F120 HydrophobicContact CE-CD1 3.51Å; M114-F120 HydrophobicContact CE-CE1 3.37Å; M114-F120 HydrophobicContact CE-CG 4.33Å; M114-F120 HydrophobicContact CE-CZ 4.09Å; M114-F120 HydrophobicContact SD-CD1 4.11Å; M114-F120 HydrophobicContact SD-CE1 3.68Å; M114-I121 HydrophobicContact CB-CD1 4.07Å; M114-I121 HydrophobicContact CB-CG1 4.05Å; M114-I121 WeakPolarHBondContact O-CD1 3.28Å
115A87.3Confident91Very high6 Ų650.1 Ų50.15%0.0525%0.251CS..G310 helixtrans-47.2-40.3-172.200000114.1F38 I43 A111 K117 E118F38-A115 HydrophobicContact CD1-CB 4.42Å; F38-A115 HydrophobicContact CG-CB 4.35Å; I43-A115 HydrophobicContact CD1-CB 3.94Å; I43-A115 HydrophobicContact CG1-CB 3.98Å; A111-A115 WeakPolarHBondContact O-CA 3.45Å; A111-A115 PolarHBondContact O-N 2.92Å; A115-K117 PolarHBondContact O-N 3.15Å; A115-E118 PolarHBondContact O-N 2.73Å
116E85.3Confident90.8Very high121 Ų12151.8 Ų51.857%0.56526%0.259SS*.G310 helixtrans-66.9-7.5178.5-46.291.1149.100113.6R47 M114R47-E116 IonicContact CZ-OE1 2.95Å; R47-E116 VanDerWaalsContact CZ-OE1 3.24Å; R47-E116 IonicContact CZ-OE2 3.31Å; R47-E116 IonicContact NH1-OE1 3.71Å; R47-E116 PolarHBondContact NH1-OE1 3.01Å; R47-E116 IonicContact NH1-OE2 2.76Å; R47-E116 IonicContact NH2-OE1 3.78Å; R47-E116 PolarHBondContact NH2-OE1 3.45Å; R47-E116 IonicContact NH2-OE2 2.7Å; R47-E116 PolarHBondContact NH2-OE2 3.43Å; M114-E116 PolarHBondContact O-N 2.91Å; M114-E116 VanDerWaalsContact O-N 3.08Å
117K88.2Confident90.7Very high129 Ų12949.9 Ų49.956%0.56125%0.248SC*.G310 helixtrans-112.146.3176.6-58.4176.2-178.5170.40109.7M114 A115 T119 F120 I121M114-K117 HydrophobicContact CE-CD 4.01Å; M114-K117 WeakPolarHBondContact O-CA 3.4Å; M114-K117 WeakPolarHBondContact O-CB 3.47Å; M114-K117 PolarHBondContact O-N 2.95Å; A115-K117 PolarHBondContact O-N 3.15Å; K117-T119 PolarHBondContact O-N 2.73Å; K117-F120 HydrophobicContact CB-CB 4.13Å; K117-F120 WeakPolarHBondContact O-CA 3.15Å; K117-F120 VanDerWaalsContact O-CB 3.27Å; K117-F120 WeakPolarHBondContact O-CB 3.13Å; K117-F120 PolarHBondContact O-N 3.46Å; K117-I121 PolarHBondContact O-N 2.76Å; K117-I121 VanDerWaalsContact O-N 3.15Å
118E84.6Confident90.6Very high63 Ų6350.6 Ų50.629%0.29425%0.25SS..Hα-helixtrans-40.3-57.4-175.6-174.6-163.8-106.900113.6K34 A115 F120 I121 E122K34-E118 WeakPolarHBondContact CE-OE1 3.2Å; K34-E118 WeakPolarHBondContact CE-OE2 3.19Å; K34-E118 IonicContact NZ-OE1 2.73Å; K34-E118 IonicContact NZ-OE2 2.66Å; K34-E118 PolarHBondContact NZ-OE2 2.84Å; A115-E118 PolarHBondContact O-N 2.73Å; E118-F120 PolarHBondContact O-N 3.41Å; E118-F120 VanDerWaalsContact O-N 3.11Å; E118-I121 PolarHBondContact O-N 3.35Å; E118-E122 HydrophobicContact CG-CG 4.32Å; E118-E122 PolarHBondContact O-N 3.1Å
119T85.9Confident90.5Very high93 Ų9350.5 Ų50.557%0.57125%0.25SS*.Hα-helixtrans-58.8-28.6-179.3-43.80000112.9K117 N123K117-T119 PolarHBondContact O-N 2.73Å; T119-N123 PolarHBondContact O-N 3.31Å; T119-N123 PolarHBondContact O-ND2 3.04Å
120F89.1Confident90.3Very high93 Ų9349.9 Ų49.941%0.40825%0.247SC..Hα-helixtrans-71.4-48.2172.1174.8-87.8000110.9M114 K117 E118 E122 N123 Q124M114-F120 HydrophobicContact CE-CD1 3.51Å; M114-F120 HydrophobicContact CE-CE1 3.37Å; M114-F120 HydrophobicContact CE-CG 4.33Å; M114-F120 HydrophobicContact CE-CZ 4.09Å; M114-F120 HydrophobicContact SD-CD1 4.11Å; M114-F120 HydrophobicContact SD-CE1 3.68Å; K117-F120 HydrophobicContact CB-CB 4.13Å; K117-F120 WeakPolarHBondContact O-CA 3.15Å; K117-F120 VanDerWaalsContact O-CB 3.27Å; K117-F120 WeakPolarHBondContact O-CB 3.13Å; K117-F120 PolarHBondContact O-N 3.46Å; E118-F120 PolarHBondContact O-N 3.41Å; E118-F120 VanDerWaalsContact O-N 3.11Å; F120-E122 PolarHBondContact O-N 2.82Å; F120-N123 PolarHBondContact O-N 2.81Å; F120-Q124 HydrophobicContact CD1-CG 4.13Å; F120-Q124 HydrophobicContact CE1-CG 3.66Å; F120-Q124 HydrophobicContact CE2-CG 4.39Å; F120-Q124 HydrophobicContact CZ-CG 3.82Å; F120-Q124 WeakPolarHBondContact O-CG 2.84Å; F120-Q124 PolarHBondContact O-N 3.02Å
121I90.7Very high90.1Very high0 Ų053.9 Ų53.90%026%0.261CS..Hα-helixtrans-60.6-47.2178.4-61.8163.7000110.5M110 A111 M114 K117 E118 N123 Q124 L125 Y184M110-I121 HydrophobicContact CE-CG2 4.43Å; A111-I121 HydrophobicContact CB-CG2 4.16Å; A111-I121 WeakPolarHBondContact O-CD1 3.45Å; M114-I121 HydrophobicContact CB-CD1 4.07Å; M114-I121 HydrophobicContact CB-CG1 4.05Å; M114-I121 WeakPolarHBondContact O-CD1 3.28Å; K117-I121 PolarHBondContact O-N 2.76Å; K117-I121 VanDerWaalsContact O-N 3.15Å; E118-I121 PolarHBondContact O-N 3.35Å; I121-N123 VanDerWaalsContact C-N 3.3Å; I121-N123 PolarHBondContact O-N 3.13Å; I121-Q124 CarbonylContact O-C 3.59Å; I121-Q124 PolarHBondContact O-N 3.26Å; I121-L125 HydrophobicContact CG2-CD1 3.77Å; I121-L125 HydrophobicContact CG2-CG 3.91Å; I121-L125 WeakPolarHBondContact O-CG 3.33Å; I121-L125 PolarHBondContact O-N 2.85Å; I121-Y184 HydrophobicContact CG2-CE1 3.71Å; I121-Y184 WeakPolarHBondContact CG2-OH 3.43Å
122E88.6Confident90Very high19 Ų1955.1 Ų55.19%0.08927%0.266CS..Hα-helixtrans-54.6-46.1177.7-73.8-171.1130.600111.3K34 E118 F120 Q124 L125 M126 Y184K34-E122 WeakPolarHBondContact CE-OE1 3.32Å; K34-E122 IonicContact NZ-OE1 3.58Å; K34-E122 PolarHBondContact NZ-OE1 2.76Å; K34-E122 IonicContact NZ-OE2 2.8Å; K34-E122 PolarHBondContact NZ-OE2 3.09Å; E118-E122 HydrophobicContact CG-CG 4.32Å; E118-E122 PolarHBondContact O-N 3.1Å; F120-E122 PolarHBondContact O-N 2.82Å; E122-Q124 VanDerWaalsContact C-N 3.34Å; E122-Q124 PolarHBondContact O-N 3.1Å; E122-L125 PolarHBondContact O-N 2.97Å; E122-M126 HydrophobicContact CB-CE 4.38Å; E122-M126 WeakPolarHBondContact O-CB 3.27Å; E122-M126 WeakPolarHBondContact O-CG 3.31Å; E122-M126 PolarHBondContact O-N 3.45Å; E122-Y184 HydrophobicContact CG-CE2 4.43Å; E122-Y184 WeakPolarHBondContact CG-OH 3.23Å
123N89.5Confident89.7Confident99 Ų9958.2 Ų58.253%0.52928%0.278SS..Hα-helixtrans-63.4-36.7176.4-85.5-77.7000113T119 F120 I121 A127T119-N123 PolarHBondContact O-N 3.31Å; T119-N123 PolarHBondContact O-ND2 3.04Å; F120-N123 PolarHBondContact O-N 2.81Å; I121-N123 VanDerWaalsContact C-N 3.3Å; I121-N123 PolarHBondContact O-N 3.13Å; N123-A127 WeakPolarHBondContact O-CB 3.38Å; N123-A127 PolarHBondContact O-N 2.84Å
124Q93.3Very high89.3Confident75 Ų7556.4 Ų56.435%0.3527%0.27SS..Hα-helixtrans-70.2-42.7175.3-62.9-60.4-28.300112.1M110 F120 I121 E122 A127 I128M110-Q124 HydrophobicContact CE-CB 3.52Å; M110-Q124 HydrophobicContact CE-CG 4.36Å; M110-Q124 HydrophobicContact SD-CB 3.54Å; M110-Q124 VanDerWaalsContact SD-CB 3.54Å; M110-Q124 HydrophobicContact SD-CG 3.72Å; F120-Q124 HydrophobicContact CD1-CG 4.13Å; F120-Q124 HydrophobicContact CE1-CG 3.66Å; F120-Q124 HydrophobicContact CE2-CG 4.39Å; F120-Q124 HydrophobicContact CZ-CG 3.82Å; F120-Q124 WeakPolarHBondContact O-CG 2.84Å; F120-Q124 PolarHBondContact O-N 3.02Å; I121-Q124 CarbonylContact O-C 3.59Å; I121-Q124 PolarHBondContact O-N 3.26Å; E122-Q124 VanDerWaalsContact C-N 3.34Å; E122-Q124 PolarHBondContact O-N 3.1Å; Q124-A127 WeakPolarHBondContact O-CB 3.07Å; Q124-A127 PolarHBondContact O-N 3.47Å; Q124-I128 VanDerWaalsContact O-CG1 3.31Å; Q124-I128 WeakPolarHBondContact O-CG1 3.5Å; Q124-I128 PolarHBondContact O-N 3.41Å
125L93Very high89Confident0 Ų060.6 Ų60.60%029%0.289CS..Hα-helixtrans-64.6-40.6175.6-69.3-178.7000111.6T107 M110 I121 E122 A127 I128 G129 Y184 V185 V188 V189T107-L125 HydrophobicContact CG2-CD2 3.52Å; M110-L125 HydrophobicContact CE-CD2 4.2Å; M110-L125 HydrophobicContact CE-CG 4.49Å; I121-L125 HydrophobicContact CG2-CD1 3.77Å; I121-L125 HydrophobicContact CG2-CG 3.91Å; I121-L125 WeakPolarHBondContact O-CG 3.33Å; I121-L125 PolarHBondContact O-N 2.85Å; E122-L125 PolarHBondContact O-N 2.97Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.23Å; L125-I128 HydrophobicContact CD2-CD1 4.38Å; L125-I128 WeakPolarHBondContact O-CB 3.26Å; L125-I128 PolarHBondContact O-N 3.05Å; L125-I128 VanDerWaalsContact O-N 3.16Å; L125-G129 PolarHBondContact O-N 2.77Å; L125-Y184 HydrophobicContact CD1-CD1 3.89Å; L125-Y184 HydrophobicContact CD1-CE1 3.36Å; L125-V185 HydrophobicContact CD1-CG2 4.3Å; L125-V185 HydrophobicContact CD2-CG1 4.17Å; L125-V185 HydrophobicContact CD2-CG2 4.43Å; L125-V188 HydrophobicContact CB-CB 4.05Å; L125-V188 HydrophobicContact CB-CG1 3.58Å; L125-V188 HydrophobicContact CD1-CB 4.07Å; L125-V188 HydrophobicContact CD1-CG1 4.33Å; L125-V188 HydrophobicContact CD1-CG2 4.5Å; L125-V189 HydrophobicContact CB-CG2 4.09Å; L125-V189 HydrophobicContact CD2-CG2 3.98Å
126M90.3Very high89Confident40 Ų4061.3 Ų61.320%0.19729%0.292CS..Hα-helixtrans-64.3-37.2173-70.2-177.1-161.700112.3W31 E122 I128 G129 K130 V188 A192 L196W31-M126 HydrophobicContact CH2-CE 4.27Å; E122-M126 HydrophobicContact CB-CE 4.38Å; E122-M126 WeakPolarHBondContact O-CB 3.27Å; E122-M126 WeakPolarHBondContact O-CG 3.31Å; E122-M126 PolarHBondContact O-N 3.45Å; M126-I128 VanDerWaalsContact C-N 3.33Å; M126-G129 PolarHBondContact O-N 3.01Å; M126-K130 WeakPolarHBondContact O-CB 3.28Å; M126-K130 WeakPolarHBondContact O-CG 3.42Å; M126-K130 PolarHBondContact O-N 2.95Å; M126-V188 HydrophobicContact CE-CG1 4.39Å; M126-V188 HydrophobicContact CG-CG1 3.78Å; M126-A192 VanDerWaalsContact CA-CB 3.48Å; M126-A192 HydrophobicContact CB-CB 3.93Å; M126-A192 HydrophobicContact CG-CB 4.04Å; M126-A192 WeakPolarHBondContact O-CB 3.26Å; M126-L196 HydrophobicContact CB-CD1 4.29Å; M126-L196 HydrophobicContact CG-CD1 4.18Å; M126-L196 HydrophobicContact SD-CD1 3.96Å
127A91.7Very high89Confident38 Ų3858.3 Ų58.331%0.31428%0.283SS..Hα-helixtrans-66.7-34.2172.900000112.2N123 Q124 L125 R131N123-A127 WeakPolarHBondContact O-CB 3.38Å; N123-A127 PolarHBondContact O-N 2.84Å; Q124-A127 WeakPolarHBondContact O-CB 3.07Å; Q124-A127 PolarHBondContact O-N 3.47Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.23Å; A127-R131 WeakPolarHBondContact O-CB 3.17Å; A127-R131 PolarHBondContact O-N 2.91Å
128I93.1Very high88.6Confident35 Ų3555.7 Ų55.718%0.17929%0.285CS..Hα-helixtrans-67.3-44.8173-70.9163.3000110.9T107 M110 Q124 L125 M126 R131 H132 V189T107-I128 HydrophobicContact CG2-CD1 3.82Å; M110-I128 HydrophobicContact CE-CD1 4.36Å; Q124-I128 VanDerWaalsContact O-CG1 3.31Å; Q124-I128 WeakPolarHBondContact O-CG1 3.5Å; Q124-I128 PolarHBondContact O-N 3.41Å; L125-I128 HydrophobicContact CD2-CD1 4.38Å; L125-I128 WeakPolarHBondContact O-CB 3.26Å; L125-I128 PolarHBondContact O-N 3.05Å; L125-I128 VanDerWaalsContact O-N 3.16Å; M126-I128 VanDerWaalsContact C-N 3.33Å; I128-R131 PolarHBondContact O-N 2.83Å; I128-H132 PolarHBondContact O-N 2.98Å; I128-H132 PolarHBondContact O-ND1 3.16Å; I128-V189 HydrophobicContact CB-CG2 4.5Å; I128-V189 HydrophobicContact CG2-CG1 4.36Å; I128-V189 HydrophobicContact CG2-CG2 4.17Å
129G91.6Very high88.5Confident0 Ų059 Ų590%031%0.305CS..Hα-helixtrans-61.4-45.9175.700000112.8L125 M126 R131 H132 R133 V189L125-G129 PolarHBondContact O-N 2.77Å; M126-G129 PolarHBondContact O-N 3.01Å; G129-R131 PolarHBondContact O-N 3.32Å; G129-H132 PolarHBondContact O-N 3.08Å; G129-H132 VanDerWaalsContact O-N 3.14Å; G129-R133 PolarHBondContact O-N 3.35Å; G129-V189 WeakPolarHBondContact CA-O 3.33Å
130K89.3Confident88.4Confident60 Ų6055 Ų5526%0.26128%0.28SS..Hα-helixtrans-58-44.4173.3-75.5170.5176.5170.60112.4M126 H132 R133 E134M126-K130 WeakPolarHBondContact O-CB 3.28Å; M126-K130 WeakPolarHBondContact O-CG 3.42Å; M126-K130 PolarHBondContact O-N 2.95Å; K130-H132 VanDerWaalsContact C-N 3.31Å; K130-H132 PolarHBondContact O-N 2.8Å; K130-R133 WeakPolarHBondContact O-CA 3.23Å; K130-R133 VanDerWaalsContact O-CB 3.29Å; K130-R133 WeakPolarHBondContact O-CB 3.4Å; K130-R133 PolarHBondContact O-N 3.15Å; K130-E134 PolarHBondContact O-N 3.3Å
131R90.1Very high88.1Confident121 Ų12153 Ų5346%0.45728%0.277SS..Hα-helixtrans-65.1-31.6176.7-169.7-179.7-62151.54.8113A127 I128 G129 E134 H135A127-R131 WeakPolarHBondContact O-CB 3.17Å; A127-R131 PolarHBondContact O-N 2.91Å; I128-R131 PolarHBondContact O-N 2.83Å; G129-R131 PolarHBondContact O-N 3.32Å; R131-E134 PolarHBondContact O-N 2.96Å; R131-H135 PolarHBondContact O-CD2 2.94Å
132H91.2Very high87.6Confident26 Ų2653.6 Ų53.612%0.1228%0.28CS..Hα-helixtrans-66.8-38.5169.9-72.495.6000111.1Y79 I128 G129 K130 E134 H135 L136 W145 F193Y79-H132 PolarHBondContact OH-CD2 2.76Å; Y79-H132 PolarHBondContact OH-NE2 2.66Å; I128-H132 PolarHBondContact O-N 2.98Å; I128-H132 PolarHBondContact O-ND1 3.16Å; G129-H132 PolarHBondContact O-N 3.08Å; G129-H132 VanDerWaalsContact O-N 3.14Å; K130-H132 VanDerWaalsContact C-N 3.31Å; K130-H132 PolarHBondContact O-N 2.8Å; H132-E134 PolarHBondContact O-N 3.14Å; H132-H135 PolarHBondContact O-N 3.42Å; H132-L136 HydrophobicContact CB-CD1 4.16Å; H132-L136 WeakPolarHBondContact O-CB 3.49Å; H132-L136 PolarHBondContact O-N 3.43Å; H132-W145 HydrophobicContact CB-CH2 4.19Å; H132-F193 HydrophobicContact CB-CD2 3.77Å; H132-F193 HydrophobicContact CB-CE2 4.12Å
133R86Confident87.1Confident67 Ų6755.1 Ų55.125%0.25329%0.287SS..Hα-helixtrans-63.1-26.9174.5-159.2-172-172.4136.516.5113.1G129 K130 H135 F193 Y194 L196G129-R133 PolarHBondContact O-N 3.35Å; K130-R133 WeakPolarHBondContact O-CA 3.23Å; K130-R133 VanDerWaalsContact O-CB 3.29Å; K130-R133 WeakPolarHBondContact O-CB 3.4Å; K130-R133 PolarHBondContact O-N 3.15Å; R133-H135 VanDerWaalsContact C-N 3.31Å; R133-F193 HydrophobicContact CB-CD2 3.94Å; R133-F193 HydrophobicContact CB-CE2 4.18Å; R133-F193 WeakPolarHBondContact CD-O 3.29Å; R133-F193 PolarHBondContact NE-O 3.41Å; R133-F193 PolarHBondContact NH1-O 2.82Å; R133-Y194 PolarHBondContact NH1-O 2.78Å; R133-Y194 PolarHBondContact NH2-O 3.02Å; R133-L196 PolarHBondContact NH1-O 3.46Å
134E86Confident86.9Confident48 Ų4851.8 Ų51.822%0.22427%0.267CS..THydrogen-bonded Turntrans-76.8-10.7173.7-67.3174.1-122.800114K130 R131 H132 S202 S203K130-E134 PolarHBondContact O-N 3.3Å; R131-E134 PolarHBondContact O-N 2.96Å; H132-E134 PolarHBondContact O-N 3.14Å; E134-S202 WeakPolarHBondContact OE1-CB 3.22Å; E134-S202 PolarHBondContact OE1-OG 3.01Å; E134-S203 VanDerWaalsContact OE2-CA 3.29Å; E134-S203 WeakPolarHBondContact OE2-CA 3.25Å; E134-S203 VanDerWaalsContact OE2-CB 3.26Å; E134-S203 WeakPolarHBondContact OE2-CB 3.4Å; E134-S203 PolarHBondContact OE2-N 2.99Å; E134-S203 PolarHBondContact OE2-OG 3.01Å
135H85Confident86.6Confident139 Ų13949.2 Ų49.264%0.64425%0.254SS*.THydrogen-bonded Turntrans-134.5-17.6-167.8-64.6-14000115.5R131 H132 R133R131-H135 PolarHBondContact O-CD2 2.94Å; H132-H135 PolarHBondContact O-N 3.42Å; R133-H135 VanDerWaalsContact C-N 3.31Å
136L87Confident86.1Confident21 Ų2152 Ų5211%0.1127%0.267CS..SBendtrans-109.6161.2177-56.5-176.6000110.4L78 Y79 H132 A138 L140 F193L78-L136 HydrophobicContact CB-CD2 3.96Å; L78-L136 HydrophobicContact CD1-CD2 4.32Å; L78-L136 HydrophobicContact CG-CD2 4.5Å; Y79-L136 HydrophobicContact CE2-CD2 4.44Å; H132-L136 HydrophobicContact CB-CD1 4.16Å; H132-L136 WeakPolarHBondContact O-CB 3.49Å; H132-L136 PolarHBondContact O-N 3.43Å; L136-A138 PolarHBondContact O-N 3.43Å; L136-L140 HydrophobicContact CB-CD2 4.29Å; L136-L140 HydrophobicContact CD1-CD2 3.66Å; L136-F193 HydrophobicContact CB-CE2 4.1Å; L136-F193 HydrophobicContact CB-CZ 4.34Å; L136-F193 HydrophobicContact CD1-CE2 4.46Å
137P85.5Confident85.9Confident59 Ų5950.6 Ų50.638%0.38326%0.262SS..  trans-56.8138.1175.2-22.433.6000111.7L78 D139 L140 F193L78-P137 HydrophobicContact CD2-CG 4.22Å; P137-D139 WeakPolarHBondContact CB-OD1 3.46Å; P137-D139 PolarHBondContact O-N 2.87Å; P137-L140 VanDerWaalsContact O-CB 3.23Å; P137-L140 WeakPolarHBondContact O-CB 3.49Å; P137-L140 PolarHBondContact O-N 3.41Å; P137-F193 WeakPolarHBondContact O-CZ 3.5Å
138A79.9Confident85.8Confident74 Ų7449.8 Ų49.861%0.61225%0.251SS*.THydrogen-bonded Turntrans-67.5-20.1-177.900000113.1L136L136-A138 PolarHBondContact O-N 3.43Å
139D81.1Confident85.6Confident133 Ų13348.5 Ų48.571%0.71124%0.244SC*.THydrogen-bonded Turntrans-93.48.9175.260.1-38000113.4P137 P141P137-D139 WeakPolarHBondContact CB-OD1 3.46Å; P137-D139 PolarHBondContact O-N 2.87Å; D139-P141 VanDerWaalsContact O-CD 3.27Å; D139-P141 WeakPolarHBondContact O-CD 3.4Å; D139-P141 VanDerWaalsContact O-N 3.1Å
140L84.7Confident85.5Confident8 Ų849.3 Ų49.34%0.04225%0.249CC..  trans-49.2117.1178.8-177.875.3000111L78 L136 P137 F144 W145 F193 Y194L78-L140 HydrophobicContact CD1-CD1 3.85Å; L78-L140 HydrophobicContact CD2-CD1 4.32Å; L136-L140 HydrophobicContact CB-CD2 4.29Å; L136-L140 HydrophobicContact CD1-CD2 3.66Å; P137-L140 VanDerWaalsContact O-CB 3.23Å; P137-L140 WeakPolarHBondContact O-CB 3.49Å; P137-L140 PolarHBondContact O-N 3.41Å; L140-F144 HydrophobicContact CD1-CB 4.41Å; L140-F144 HydrophobicContact CD1-CD1 4.4Å; L140-F144 HydrophobicContact CD1-CD2 3.57Å; L140-F144 HydrophobicContact CD1-CE2 3.88Å; L140-F144 HydrophobicContact CD1-CG 3.86Å; L140-F144 HydrophobicContact CD1-CZ 4.41Å; L140-F144 HydrophobicContact CD2-CB 4.41Å; L140-F144 HydrophobicContact CG-CB 4.35Å; L140-F144 HydrophobicContact CG-CD2 4.06Å; L140-F144 HydrophobicContact CG-CG 4.29Å; L140-W145 HydrophobicContact CD2-CZ2 4.33Å; L140-F193 HydrophobicContact CB-CE1 4.01Å; L140-F193 HydrophobicContact CB-CZ 3.8Å; L140-F193 HydrophobicContact CD2-CE1 4.33Å; L140-F193 HydrophobicContact CD2-CE2 4.45Å; L140-F193 HydrophobicContact CD2-CZ 3.93Å; L140-Y194 WeakPolarHBondContact O-CE1 3.41Å; L140-Y194 PolarHBondContact O-OH 3.5Å
141P82Confident85.6Confident51 Ų5146.4 Ų46.433%0.33124%0.237SC..  trans-61.8143-175.4-28.136000113.9D139 H143 F144D139-P141 VanDerWaalsContact O-CD 3.27Å; D139-P141 WeakPolarHBondContact O-CD 3.4Å; D139-P141 VanDerWaalsContact O-N 3.1Å; P141-H143 WeakPolarHBondContact CB-CE1 3.35Å; P141-H143 WeakPolarHBondContact CB-ND1 3.3Å; P141-H143 PolarHBondContact O-N 2.66Å; P141-F144 HydrophobicContact CB-CD2 4.32Å; P141-F144 HydrophobicContact CG-CE2 4.41Å; P141-F144 PolarHBondContact O-N 2.98Å
142M79.7Confident85.6Confident13 Ų1340.7 Ų40.76%0.06422%0.215CC..THydrogen-bonded Turntrans-58.5-22.3-180-70.9179.818000114.2I9 Y15 Y23 V24 F144 W145 H146 Y194I9-M142 HydrophobicContact CG2-CE 3.6Å; Y15-M142 HydrophobicContact CE1-CE 3.71Å; Y15-M142 HydrophobicContact CE1-SD 4.25Å; Y15-M142 WeakPolarHBondContact OH-CE 3.26Å; Y23-M142 HydrophobicContact CD2-CB 3.76Å; Y23-M142 HydrophobicContact CG-CB 4.46Å; V24-M142 HydrophobicContact CG2-CE 4Å; V24-M142 HydrophobicContact CG2-SD 3.81Å; M142-F144 PolarHBondContact O-N 3.15Å; M142-W145 PolarHBondContact O-N 3.09Å; M142-W145 VanDerWaalsContact O-N 3.17Å; M142-H146 PolarHBondContact O-N 3.38Å; M142-Y194 WeakPolarHBondContact CA-OH 3.45Å; M142-Y194 HydrophobicContact CE-CD2 4.22Å; M142-Y194 HydrophobicContact CE-CE2 4.31Å; M142-Y194 HydrophobicContact CE-CG 4.44Å; M142-Y194 HydrophobicContact CG-CE1 4.44Å; M142-Y194 HydrophobicContact CG-CE2 3.75Å; M142-Y194 PolarHBondContact N-OH 2.67Å
143H79.9Confident85.5Confident51 Ų5141.4 Ų41.424%0.23622%0.22CC..Hα-helixtrans-62.3-24.4176.661.3-116.7000113.2Y23 E72 P141 W145 H146 S147Y23-H143 HydrophobicContact CE2-CB 3.92Å; E72-H143 IonicContact OE1-CD2 3.59Å; E72-H143 PolarHBondContact OE1-CD2 3.12Å; E72-H143 VanDerWaalsContact OE1-CD2 3.23Å; E72-H143 IonicContact OE1-NE2 3.88Å; P141-H143 WeakPolarHBondContact CB-CE1 3.35Å; P141-H143 WeakPolarHBondContact CB-ND1 3.3Å; P141-H143 PolarHBondContact O-N 2.66Å; H143-W145 VanDerWaalsContact C-N 3.33Å; H143-W145 PolarHBondContact O-N 3.12Å; H143-H146 CarbonylContact O-C 3.6Å; H143-H146 PolarHBondContact O-N 3.14Å; H143-S147 WeakPolarHBondContact O-CB 3.12Å; H143-S147 PolarHBondContact O-N 3.41Å; H143-S147 PolarHBondContact O-OG 3.14Å
144F85.3Confident85.7Confident28 Ų2840.6 Ų40.612%0.12322%0.219CC..Hα-helixtrans-61.5-40.7174-81.8-86.5000112.3E72 E74 F75 L78 L140 P141 M142 H146 S147 F148E72-F144 HydrophobicContact CB-CD1 4.42Å; E72-F144 HydrophobicContact CB-CE1 4.07Å; E72-F144 HydrophobicContact CG-CD1 4.48Å; E72-F144 HydrophobicContact CG-CE1 4.38Å; E74-F144 HydrophobicContact CB-CZ 4.13Å; F75-F144 HydrophobicContact CB-CE1 4.45Å; L78-F144 HydrophobicContact CD1-CD1 4.21Å; L78-F144 HydrophobicContact CD1-CE1 4Å; L140-F144 HydrophobicContact CD1-CB 4.41Å; L140-F144 HydrophobicContact CD1-CD1 4.4Å; L140-F144 HydrophobicContact CD1-CD2 3.57Å; L140-F144 HydrophobicContact CD1-CE2 3.88Å; L140-F144 HydrophobicContact CD1-CG 3.86Å; L140-F144 HydrophobicContact CD1-CZ 4.41Å; L140-F144 HydrophobicContact CD2-CB 4.41Å; L140-F144 HydrophobicContact CG-CB 4.35Å; L140-F144 HydrophobicContact CG-CD2 4.06Å; L140-F144 HydrophobicContact CG-CG 4.29Å; P141-F144 HydrophobicContact CB-CD2 4.32Å; P141-F144 HydrophobicContact CG-CE2 4.41Å; P141-F144 PolarHBondContact O-N 2.98Å; M142-F144 PolarHBondContact O-N 3.15Å; F144-H146 VanDerWaalsContact C-N 3.34Å; F144-S147 PolarHBondContact O-N 2.92Å; F144-F148 PolarHBondContact O-N 3.25Å
145W85.8Confident86Confident22 Ų2238.4 Ų38.48%0.08321%0.209CC..Hα-helixtrans-69.1-33.4175.5-56.7108.8000112F27 H132 L140 M142 H143 Y149 V186 V189 A190 F193 Y194F27-W145 HydrophobicContact CZ-CB 4.26Å; H132-W145 HydrophobicContact CB-CH2 4.19Å; L140-W145 HydrophobicContact CD2-CZ2 4.33Å; M142-W145 PolarHBondContact O-N 3.09Å; M142-W145 VanDerWaalsContact O-N 3.17Å; H143-W145 VanDerWaalsContact C-N 3.33Å; H143-W145 PolarHBondContact O-N 3.12Å; W145-Y149 WeakPolarHBondContact O-CB 3.36Å; W145-Y149 PolarHBondContact O-N 2.79Å; W145-V186 HydrophobicContact CB-CG1 3.98Å; W145-V189 HydrophobicContact CE3-CG1 4.38Å; W145-V189 HydrophobicContact CH2-CG1 3.8Å; W145-V189 HydrophobicContact CZ3-CG1 3.58Å; W145-A190 HydrophobicContact CD2-CB 4.19Å; W145-A190 HydrophobicContact CG-CB 4.03Å; W145-F193 HydrophobicContact CZ2-CB 3.96Å; W145-F193 HydrophobicContact CZ2-CD1 4.13Å; W145-F193 AromaticContact CZ2-CD2 3.83Å; W145-F193 HydrophobicContact CZ2-CD2 3.83Å; W145-F193 HydrophobicContact CZ2-CE2 4.35Å; W145-F193 AromaticContact CZ2-CG 3.7Å; W145-F193 HydrophobicContact CZ2-CG 3.7Å; W145-Y194 AromaticContact CD1-CE2 3.61Å; W145-Y194 AromaticContact CD1-CZ 3.89Å; W145-Y194 VanDerWaalsContact CD1-OH 3.29Å; W145-Y194 AromaticContact NE1-CE2 3.43Å; W145-Y194 AromaticContact NE1-CZ 3.55Å; W145-Y194 PolarHBondContact NE1-OH 2.85Å; W145-Y194 VanDerWaalsContact NE1-OH 3.1Å
146H82.8Confident86.2Confident57 Ų5732 Ų3226%0.26418%0.179SC..Hα-helixtrans-71.6-36.3173.2-173.8-90.7000113Y23 M142 H143 F144 Y149 S150Y23-H146 HydrophobicContact CD1-CB 4.08Å; Y23-H146 AromaticContact CD1-CD2 3.87Å; Y23-H146 HydrophobicContact CE1-CB 3.5Å; Y23-H146 VanDerWaalsContact CE1-CB 3.5Å; Y23-H146 AromaticContact CE1-CD2 3.28Å; Y23-H146 WeakPolarHBondContact CE1-CD2 3.15Å; Y23-H146 AromaticContact CE1-CG 3.28Å; Y23-H146 AromaticContact CE1-ND1 4Å; Y23-H146 AromaticContact CE1-NE2 3.99Å; Y23-H146 HydrophobicContact CE2-CB 4.27Å; Y23-H146 AromaticContact CZ-CG 3.65Å; M142-H146 PolarHBondContact O-N 3.38Å; H143-H146 CarbonylContact O-C 3.6Å; H143-H146 PolarHBondContact O-N 3.14Å; F144-H146 VanDerWaalsContact C-N 3.34Å; H146-Y149 PolarHBondContact O-N 2.66Å; H146-S150 PolarHBondContact CE1-OG 3.36Å; H146-S150 PolarHBondContact ND1-OG 2.96Å; H146-S150 WeakPolarHBondContact O-CB 3.41Å; H146-S150 PolarHBondContact O-N 3.12Å; H146-S150 PolarHBondContact O-OG 3.41Å
147S86.3Confident86.3Confident12 Ų1234.4 Ų34.48%0.08420%0.195CC..Hα-helixtrans-68.5-35.9174.2-68.60000111.3E72 H143 F144 A151E72-S147 WeakPolarHBondContact CG-OG 3.03Å; H143-S147 WeakPolarHBondContact O-CB 3.12Å; H143-S147 PolarHBondContact O-N 3.41Å; H143-S147 PolarHBondContact O-OG 3.14Å; F144-S147 PolarHBondContact O-N 2.92Å; S147-A151 WeakPolarHBondContact O-CB 3.24Å; S147-A151 PolarHBondContact O-N 3.08Å
148F88.8Confident86.5Confident20 Ų2035.2 Ų35.29%0.08819%0.193CC..Hα-helixtrans-59.2-55.7165.3179.7-78.7000111.5I68 Y104 F108 F144 S150 A151 V152 V186I68-F148 HydrophobicContact CD1-CB 4.28Å; I68-F148 HydrophobicContact CD1-CD2 3.46Å; I68-F148 VanDerWaalsContact CD1-CD2 3.46Å; I68-F148 HydrophobicContact CD1-CE2 4.13Å; I68-F148 HydrophobicContact CD1-CG 4.17Å; I68-F148 HydrophobicContact CG1-CB 4.5Å; I68-F148 HydrophobicContact CG1-CD2 4.49Å; Y104-F148 HydrophobicContact CD1-CE2 4.2Å; Y104-F148 AromaticContact CD2-CE2 3.8Å; Y104-F148 HydrophobicContact CD2-CE2 3.8Å; Y104-F148 HydrophobicContact CE1-CE2 4.14Å; Y104-F148 HydrophobicContact CE2-CD2 4.17Å; Y104-F148 AromaticContact CE2-CE2 3.72Å; Y104-F148 HydrophobicContact CE2-CE2 3.72Å; Y104-F148 HydrophobicContact CG-CE2 4.04Å; Y104-F148 AromaticContact CZ-CE2 3.91Å; F108-F148 AromaticContact CE2-CZ 4Å; F108-F148 HydrophobicContact CE2-CZ 4Å; F108-F148 AromaticContact CZ-CE1 3.78Å; F108-F148 HydrophobicContact CZ-CE1 3.78Å; F108-F148 AromaticContact CZ-CZ 3.69Å; F108-F148 HydrophobicContact CZ-CZ 3.69Å; F144-F148 PolarHBondContact O-N 3.25Å; F148-S150 VanDerWaalsContact C-N 3.33Å; F148-S150 PolarHBondContact O-N 2.96Å; F148-A151 PolarHBondContact O-N 3.01Å; F148-V152 HydrophobicContact CD1-CG2 4.22Å; F148-V152 HydrophobicContact CE1-CG2 3.9Å; F148-V152 HydrophobicContact CZ-CG2 4.22Å; F148-V152 WeakPolarHBondContact O-CG2 3.39Å; F148-V152 PolarHBondContact O-N 2.84Å; F148-V152 VanDerWaalsContact O-N 3.09Å; F148-V186 HydrophobicContact CD1-CG2 3.54Å; F148-V186 HydrophobicContact CE1-CG2 3.72Å
149Y89.1Confident86.8Confident9 Ų933.9 Ų33.94%0.03517%0.174CC..Hα-helixtrans-51.9-50.6179.5177.7-86.3000111.9R26 W145 H146 A151 V152 L153 E179 I182 D183 V186R26-Y149 VanDerWaalsContact CZ-CZ 3.41Å; R26-Y149 VanDerWaalsContact NH2-CZ 3.27Å; R26-Y149 PolarHBondContact NH2-OH 3.1Å; W145-Y149 WeakPolarHBondContact O-CB 3.36Å; W145-Y149 PolarHBondContact O-N 2.79Å; H146-Y149 PolarHBondContact O-N 2.66Å; Y149-A151 PolarHBondContact O-N 3.32Å; Y149-V152 PolarHBondContact O-N 3.5Å; Y149-L153 HydrophobicContact CD1-CD1 4.17Å; Y149-L153 HydrophobicContact CD1-CG 4.45Å; Y149-L153 HydrophobicContact CE1-CD1 3.33Å; Y149-L153 HydrophobicContact CE1-CG 3.91Å; Y149-L153 PolarHBondContact O-N 3.15Å; Y149-L153 VanDerWaalsContact O-N 3.11Å; Y149-E179 WeakPolarHBondContact OH-CG 3.35Å; Y149-E179 PolarHBondContact OH-OE1 3.07Å; Y149-I182 HydrophobicContact CD2-CB 4.4Å; Y149-I182 HydrophobicContact CD2-CG2 3.59Å; Y149-I182 HydrophobicContact CE2-CB 4.25Å; Y149-I182 HydrophobicContact CE2-CG2 3.92Å; Y149-I182 HydrophobicContact CG-CG2 4.29Å; Y149-D183 HydrophobicContact CE2-CB 4.15Å; Y149-V186 HydrophobicContact CD2-CG2 4.4Å
150S89.4Confident87.1Confident16 Ų1628 Ų2811%0.11214%0.142CC..Hα-helixtrans-64.6-40.7-179.3-53.40000112.4H146 F148 V152 L153 E154H146-S150 PolarHBondContact CE1-OG 3.36Å; H146-S150 PolarHBondContact ND1-OG 2.96Å; H146-S150 WeakPolarHBondContact O-CB 3.41Å; H146-S150 PolarHBondContact O-N 3.12Å; H146-S150 PolarHBondContact O-OG 3.41Å; F148-S150 VanDerWaalsContact C-N 3.33Å; F148-S150 PolarHBondContact O-N 2.96Å; S150-V152 VanDerWaalsContact C-N 3.32Å; S150-V152 PolarHBondContact O-N 2.96Å; S150-L153 PolarHBondContact O-N 3.11Å; S150-E154 WeakPolarHBondContact O-CG 3.42Å; S150-E154 PolarHBondContact O-N 2.88Å
151A91.6Very high87.2Confident0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-65.4-34.917900000112.4G67 I68 S147 F148 Y149 V155G67-A151 VanDerWaalsContact C-CB 3.46Å; I68-A151 HydrophobicContact CG1-CB 3.66Å; S147-A151 WeakPolarHBondContact O-CB 3.24Å; S147-A151 PolarHBondContact O-N 3.08Å; F148-A151 PolarHBondContact O-N 3.01Å; Y149-A151 PolarHBondContact O-N 3.32Å; A151-V155 WeakPolarHBondContact O-CG2 3.42Å; A151-V155 PolarHBondContact O-N 3.17Å
152V90.4Very high87.4Confident0 Ų036.3 Ų36.30%018%0.18CC..Hα-helixtrans-70.9-41.6173.9-169.50000110.4I64 F108 F148 Y149 S150 E154 V155 I156 I182I64-V152 HydrophobicContact CD1-CG1 4.07Å; I64-V152 HydrophobicContact CD1-CG2 4.21Å; I64-V152 HydrophobicContact CG1-CG1 4.32Å; I64-V152 HydrophobicContact CG1-CG2 4.14Å; I64-V152 HydrophobicContact CG2-CG2 3.67Å; F108-V152 HydrophobicContact CE2-CG1 4.5Å; F108-V152 HydrophobicContact CE2-CG2 4.27Å; F108-V152 HydrophobicContact CZ-CG1 4.15Å; F108-V152 HydrophobicContact CZ-CG2 3.89Å; F148-V152 HydrophobicContact CD1-CG2 4.22Å; F148-V152 HydrophobicContact CE1-CG2 3.9Å; F148-V152 HydrophobicContact CZ-CG2 4.22Å; F148-V152 WeakPolarHBondContact O-CG2 3.39Å; F148-V152 PolarHBondContact O-N 2.84Å; F148-V152 VanDerWaalsContact O-N 3.09Å; Y149-V152 PolarHBondContact O-N 3.5Å; S150-V152 VanDerWaalsContact C-N 3.32Å; S150-V152 PolarHBondContact O-N 2.96Å; V152-E154 VanDerWaalsContact C-N 3.35Å; V152-E154 PolarHBondContact O-N 3.03Å; V152-V155 PolarHBondContact O-N 3Å; V152-I156 HydrophobicContact CG1-CG1 4.36Å; V152-I156 WeakPolarHBondContact O-CG1 3.35Å; V152-I156 PolarHBondContact O-N 3.33Å; V152-I182 HydrophobicContact CB-CD1 3.9Å; V152-I182 HydrophobicContact CB-CG1 4.27Å; V152-I182 HydrophobicContact CB-CG2 4.21Å; V152-I182 HydrophobicContact CG1-CD1 3.43Å; V152-I182 VanDerWaalsContact CG1-CD1 3.43Å; V152-I182 HydrophobicContact CG1-CG1 3.76Å
153L89.5Confident87.7Confident42 Ų4238.3 Ų38.322%0.2219%0.191CC..Hα-helixtrans-59.8-41174.7-74.4-167.8000113.1Y149 S150 V155 I156 V157 E179 I182Y149-L153 HydrophobicContact CD1-CD1 4.17Å; Y149-L153 HydrophobicContact CD1-CG 4.45Å; Y149-L153 HydrophobicContact CE1-CD1 3.33Å; Y149-L153 HydrophobicContact CE1-CG 3.91Å; Y149-L153 PolarHBondContact O-N 3.15Å; Y149-L153 VanDerWaalsContact O-N 3.11Å; S150-L153 PolarHBondContact O-N 3.11Å; L153-V155 PolarHBondContact O-N 3.21Å; L153-I156 PolarHBondContact O-N 2.83Å; L153-V157 WeakPolarHBondContact O-CB 3.45Å; L153-V157 WeakPolarHBondContact O-CG2 3.14Å; L153-V157 PolarHBondContact O-N 3.49Å; L153-E179 HydrophobicContact CD2-CB 4.35Å; L153-E179 HydrophobicContact CD2-CG 4.21Å; L153-I182 HydrophobicContact CD2-CD1 3.78Å
154E90.6Very high88Confident50 Ų5043 Ų4323%0.23422%0.218CC..Hα-helixtrans-55.6-51175.2-75.4-178.513700111.3R70 R71 S150 V152 I156 V157 E158R70-E154 IonicContact CZ-OE2 3.17Å; R70-E154 IonicContact NE-OE2 3.04Å; R70-E154 IonicContact NH2-OE1 3.79Å; R70-E154 PolarHBondContact NH2-OE1 3.3Å; R70-E154 IonicContact NH2-OE2 3.55Å; R70-E154 PolarHBondContact NH2-OE2 3.13Å; R71-E154 IonicContact CZ-OE1 3.24Å; R71-E154 IonicContact CZ-OE2 2.76Å; R71-E154 VanDerWaalsContact NE-CD 3.26Å; R71-E154 IonicContact NE-OE1 2.76Å; R71-E154 PolarHBondContact NE-OE1 3.36Å; R71-E154 IonicContact NE-OE2 3.95Å; R71-E154 PolarHBondContact NE-OE2 3.29Å; R71-E154 IonicContact NH1-OE1 2.95Å; R71-E154 PolarHBondContact NH1-OE1 3.35Å; R71-E154 IonicContact NH1-OE2 2.67Å; S150-E154 WeakPolarHBondContact O-CG 3.42Å; S150-E154 PolarHBondContact O-N 2.88Å; V152-E154 VanDerWaalsContact C-N 3.35Å; V152-E154 PolarHBondContact O-N 3.03Å; E154-I156 VanDerWaalsContact C-N 3.27Å; E154-I156 PolarHBondContact O-N 3.01Å; E154-V157 PolarHBondContact O-N 3.37Å; E154-E158 WeakPolarHBondContact O-CB 3.42Å; E154-E158 VanDerWaalsContact O-CG 3.28Å; E154-E158 WeakPolarHBondContact O-CG 3.37Å; E154-E158 PolarHBondContact O-N 3.22Å
155V91.3Very high88.3Confident2 Ų246.4 Ų46.41%0.01225%0.245CC..Hα-helixtrans-67.9-27.8-178.6-178.40000112.3F60 Q63 I64 A151 V152 L153 K159F60-V155 HydrophobicContact CD2-CG1 3.64Å; F60-V155 HydrophobicContact CE2-CB 4.47Å; F60-V155 HydrophobicContact CE2-CG1 3.71Å; Q63-V155 HydrophobicContact CB-CB 4.4Å; Q63-V155 HydrophobicContact CB-CG1 3.67Å; Q63-V155 HydrophobicContact CB-CG2 3.71Å; Q63-V155 HydrophobicContact CG-CG1 4.39Å; I64-V155 HydrophobicContact CG1-CB 4.47Å; I64-V155 HydrophobicContact CG1-CG2 4.39Å; A151-V155 WeakPolarHBondContact O-CG2 3.42Å; A151-V155 PolarHBondContact O-N 3.17Å; V152-V155 PolarHBondContact O-N 3Å; L153-V155 PolarHBondContact O-N 3.21Å; V155-K159 WeakPolarHBondContact O-CB 3.4Å; V155-K159 VanDerWaalsContact O-CG 3.28Å; V155-K159 WeakPolarHBondContact O-CG 3.27Å; V155-K159 PolarHBondContact O-N 3.49Å; V155-K159 VanDerWaalsContact O-N 3.16Å
156I89.8Confident88.5Confident3 Ų347 Ų472%0.01525%0.25CC..Hα-helixtrans-73.5-43.3172.3-70.7-56.3000111.5F60 V152 L153 E154 K159 V160 F174 W178 I182F60-I156 HydrophobicContact CE2-CD1 4.03Å; F60-I156 HydrophobicContact CZ-CD1 3.92Å; V152-I156 HydrophobicContact CG1-CG1 4.36Å; V152-I156 WeakPolarHBondContact O-CG1 3.35Å; V152-I156 PolarHBondContact O-N 3.33Å; L153-I156 PolarHBondContact O-N 2.83Å; E154-I156 VanDerWaalsContact C-N 3.27Å; E154-I156 PolarHBondContact O-N 3.01Å; I156-K159 PolarHBondContact O-N 3.27Å; I156-V160 HydrophobicContact CG2-CG2 4.38Å; I156-V160 WeakPolarHBondContact O-CB 3.43Å; I156-V160 VanDerWaalsContact O-CG2 3.27Å; I156-V160 WeakPolarHBondContact O-CG2 3.17Å; I156-V160 PolarHBondContact O-N 3.09Å; I156-F174 HydrophobicContact CG2-CD1 4.4Å; I156-F174 HydrophobicContact CG2-CE1 4.25Å; I156-W178 HydrophobicContact CD1-CB 4.31Å; I156-W178 HydrophobicContact CD1-CD2 3.35Å; I156-W178 HydrophobicContact CD1-CE3 3.55Å; I156-W178 HydrophobicContact CD1-CG 3.7Å; I156-W178 HydrophobicContact CD1-CH2 4.31Å; I156-W178 HydrophobicContact CD1-CZ2 4.17Å; I156-W178 HydrophobicContact CD1-CZ3 4.03Å; I156-W178 HydrophobicContact CG1-CB 4.08Å; I156-W178 HydrophobicContact CG1-CD2 3.97Å; I156-W178 HydrophobicContact CG1-CE3 3.96Å; I156-W178 HydrophobicContact CG1-CG 4.03Å; I156-W178 HydrophobicContact CG2-CB 3.73Å; I156-W178 HydrophobicContact CG2-CG 4.05Å; I156-I182 HydrophobicContact CG1-CD1 4.35Å
157V88.5Confident88.9Confident72 Ų7248.5 Ų48.544%0.43626%0.26SS..Hα-helixtrans-65-41.3175.9170.40000111.1L153 E154 K159 V160 N161L153-V157 WeakPolarHBondContact O-CB 3.45Å; L153-V157 WeakPolarHBondContact O-CG2 3.14Å; L153-V157 PolarHBondContact O-N 3.49Å; E154-V157 PolarHBondContact O-N 3.37Å; V157-K159 PolarHBondContact O-N 2.94Å; V157-V160 PolarHBondContact O-N 3.07Å; V157-N161 WeakPolarHBondContact O-CB 3.43Å; V157-N161 VanDerWaalsContact O-CG 3.23Å; V157-N161 PolarHBondContact O-N 3.02Å; V157-N161 PolarHBondContact O-ND2 3.08Å; V157-N161 VanDerWaalsContact O-ND2 3.1Å
158E89.2Confident89.2Confident76 Ų7652.1 Ų52.136%0.35529%0.29SS..Hα-helixtrans-53.3-53.9170.9-73.9166.3-172.500110.1E154 V160 N161 E162E154-E158 WeakPolarHBondContact O-CB 3.42Å; E154-E158 VanDerWaalsContact O-CG 3.28Å; E154-E158 WeakPolarHBondContact O-CG 3.37Å; E154-E158 PolarHBondContact O-N 3.22Å; E158-V160 PolarHBondContact O-N 3.32Å; E158-N161 PolarHBondContact O-N 2.9Å; E158-N161 VanDerWaalsContact O-N 3.17Å; E158-E162 WeakPolarHBondContact O-CG 3.2Å; E158-E162 PolarHBondContact O-N 3.05Å
159K86.8Confident89.3Confident46 Ų4655.7 Ų55.720%0.231%0.31CS..Hα-helixtrans-65.1-34.8179.4-76178.1171-164.20115.5F60 V155 I156 V157 N161 N163F60-K159 HydrophobicContact CD2-CD 4.32Å; F60-K159 HydrophobicContact CE2-CD 4.34Å; F60-K159 VanDerWaalsContact CG-NZ 3.34Å; V155-K159 WeakPolarHBondContact O-CB 3.4Å; V155-K159 VanDerWaalsContact O-CG 3.28Å; V155-K159 WeakPolarHBondContact O-CG 3.27Å; V155-K159 PolarHBondContact O-N 3.49Å; V155-K159 VanDerWaalsContact O-N 3.16Å; I156-K159 PolarHBondContact O-N 3.27Å; V157-K159 PolarHBondContact O-N 2.94Å; K159-N161 VanDerWaalsContact C-N 3.3Å; K159-N163 PolarHBondContact O-N 3.39Å
160V87.1Confident89.4Confident9 Ų959.3 Ų59.36%0.05533%0.328CS..Hα-helixtrans-66.5-36.8174.7166.40000110.5I156 V157 E158 K171 F174I156-V160 HydrophobicContact CG2-CG2 4.38Å; I156-V160 WeakPolarHBondContact O-CB 3.43Å; I156-V160 VanDerWaalsContact O-CG2 3.27Å; I156-V160 WeakPolarHBondContact O-CG2 3.17Å; I156-V160 PolarHBondContact O-N 3.09Å; V157-V160 PolarHBondContact O-N 3.07Å; E158-V160 PolarHBondContact O-N 3.32Å; V160-K171 HydrophobicContact CG1-CB 3.57Å; V160-K171 HydrophobicContact CG1-CD 3.96Å; V160-K171 HydrophobicContact CG1-CG 3.76Å; V160-K171 WeakPolarHBondContact O-CD 3.43Å; V160-K171 VanDerWaalsContact O-CE 3.3Å; V160-K171 WeakPolarHBondContact O-CE 3.37Å; V160-K171 PolarHBondContact O-NZ 3.5Å; V160-F174 HydrophobicContact CG2-CB 4.13Å; V160-F174 HydrophobicContact CG2-CD1 3.18Å; V160-F174 HydrophobicContact CG2-CD2 4.39Å; V160-F174 HydrophobicContact CG2-CE1 3.52Å; V160-F174 HydrophobicContact CG2-CG 3.69Å; V160-F174 HydrophobicContact CG2-CZ 4.24Å
161N86.2Confident89.5Confident98 Ų9860.6 Ų60.652%0.52433%0.331SS..Hα-helixtrans-75.3-42.4177.4-68.6-29000111.8V157 E158 K159 N163 K171V157-N161 WeakPolarHBondContact O-CB 3.43Å; V157-N161 VanDerWaalsContact O-CG 3.23Å; V157-N161 PolarHBondContact O-N 3.02Å; V157-N161 PolarHBondContact O-ND2 3.08Å; V157-N161 VanDerWaalsContact O-ND2 3.1Å; E158-N161 PolarHBondContact O-N 2.9Å; E158-N161 VanDerWaalsContact O-N 3.17Å; K159-N161 VanDerWaalsContact C-N 3.3Å; N161-N163 PolarHBondContact O-N 2.99Å; N161-K171 PolarHBondContact O-NZ 3.04Å
162E87.8Confident89.4Confident137 Ų13766 Ų6664%0.6436%0.359SS*.Hα-helixtrans-59.6-23.1174.1-73.9174.9165.600113.9E158 D164E158-E162 WeakPolarHBondContact O-CG 3.2Å; E158-E162 PolarHBondContact O-N 3.05Å; E162-D164 PolarHBondContact O-N 3.28Å
163N85.3Confident89.4Confident55 Ų5567.6 Ų67.629%0.29437%0.368SS..  trans-89.788.1179.4-167.4-7.1000112.1K159 N161 S165 L166 K171K159-N163 PolarHBondContact O-N 3.39Å; N161-N163 PolarHBondContact O-N 2.99Å; N163-S165 PolarHBondContact O-N 3.33Å; N163-S165 PolarHBondContact OD1-N 3.35Å; N163-S165 VanDerWaalsContact OD1-N 3.17Å; N163-S165 PolarHBondContact OD1-OG 2.96Å; N163-L166 HydrophobicContact CB-CD1 4.14Å; N163-L166 HydrophobicContact CB-CG 4.38Å; N163-L166 WeakPolarHBondContact ND2-CD1 3.29Å; N163-L166 WeakPolarHBondContact ND2-CG 3.39Å; N163-K171 WeakPolarHBondContact O-CE 3.43Å; N163-K171 PolarHBondContact O-NZ 3.46Å
164D87.1Confident89.5Confident150 Ų15066.6 Ų66.680%0.80236%0.362SS*.THydrogen-bonded Turntrans-66.9-10.1177.3-73.1-34.7000114.8E162E162-D164 PolarHBondContact O-N 3.28Å
165S90.2Very high89.4Confident99 Ų9965.7 Ų65.769%0.69236%0.363SS*.THydrogen-bonded Turntrans-85.8-3-179.4920000114.6N163N163-S165 PolarHBondContact O-N 3.33Å; N163-S165 PolarHBondContact OD1-N 3.35Å; N163-S165 VanDerWaalsContact OD1-N 3.17Å; N163-S165 PolarHBondContact OD1-OG 2.96Å
166L89.8Confident89.3Confident35 Ų3571.5 Ų71.518%0.18339%0.388CS..SBendtrans-101134.9-179-61.3176.5000111.1N163 E170 K171 F174N163-L166 HydrophobicContact CB-CD1 4.14Å; N163-L166 HydrophobicContact CB-CG 4.38Å; N163-L166 WeakPolarHBondContact ND2-CD1 3.29Å; N163-L166 WeakPolarHBondContact ND2-CG 3.39Å; L166-E170 WeakPolarHBondContact CA-OE2 3.41Å; L166-E170 HydrophobicContact CB-CB 4.02Å; L166-E170 HydrophobicContact CD2-CB 4.13Å; L166-K171 HydrophobicContact CB-CD 4.46Å; L166-K171 HydrophobicContact CB-CG 3.61Å; L166-K171 HydrophobicContact CD1-CG 4.31Å; L166-K171 WeakPolarHBondContact O-CE 3.44Å; L166-F174 HydrophobicContact CD1-CD2 3.76Å; L166-F174 HydrophobicContact CD1-CE2 4.27Å
167D92.3Very high89.4Confident88 Ų8871.6 Ų71.647%0.47139%0.388SS..  trans-72170.2171.986.428.5000112.7N169 E170 K171D167-N169 PolarHBondContact O-N 3.1Å; D167-N169 VanDerWaalsContact OD1-CA 3.3Å; D167-N169 WeakPolarHBondContact OD1-CA 3.3Å; D167-N169 VanDerWaalsContact OD1-CB 3.31Å; D167-N169 WeakPolarHBondContact OD1-CB 3.43Å; D167-N169 PolarHBondContact OD1-N 3.06Å; D167-E170 PolarHBondContact N-OE2 3.25Å; D167-E170 PolarHBondContact O-N 3.02Å; D167-E170 PolarHBondContact OD1-N 3.48Å; D167-K171 WeakPolarHBondContact O-CB 3.38Å; D167-K171 WeakPolarHBondContact O-CG 3.27Å; D167-K171 PolarHBondContact O-N 3.46Å
168A91.5Very high89.6Confident88 Ų8868.2 Ų68.273%0.72737%0.368SS*.Hα-helixtrans-62.3-28.6-176.300000114.2L172A168-L172 WeakPolarHBondContact O-CB 3.38Å; A168-L172 PolarHBondContact O-N 3.1Å
169N91.7Very high89.5Confident95 Ų9568.2 Ų68.251%0.50837%0.368SS..Hα-helixtrans-81.2-39.9175.817176000111D167 L172 I173D167-N169 PolarHBondContact O-N 3.1Å; D167-N169 VanDerWaalsContact OD1-CA 3.3Å; D167-N169 WeakPolarHBondContact OD1-CA 3.3Å; D167-N169 VanDerWaalsContact OD1-CB 3.31Å; D167-N169 WeakPolarHBondContact OD1-CB 3.43Å; D167-N169 PolarHBondContact OD1-N 3.06Å; N169-L172 WeakPolarHBondContact O-CB 3.48Å; N169-L172 PolarHBondContact O-N 2.8Å; N169-I173 WeakPolarHBondContact ND2-CD1 3.35Å; N169-I173 VanDerWaalsContact O-CG1 3.28Å; N169-I173 WeakPolarHBondContact O-CG1 3.34Å; N169-I173 PolarHBondContact O-N 3.27Å
170E90.7Very high89.6Confident85 Ų8566.7 Ų66.740%0.39736%0.362SS..Hα-helixtrans-61.8-43171.8-66.8-177.6123.200112L166 D167 L172 I173 F174L166-E170 WeakPolarHBondContact CA-OE2 3.41Å; L166-E170 HydrophobicContact CB-CB 4.02Å; L166-E170 HydrophobicContact CD2-CB 4.13Å; D167-E170 PolarHBondContact N-OE2 3.25Å; D167-E170 PolarHBondContact O-N 3.02Å; D167-E170 PolarHBondContact OD1-N 3.48Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.32Å; E170-I173 PolarHBondContact O-N 3.39Å; E170-F174 WeakPolarHBondContact O-CB 3.13Å; E170-F174 PolarHBondContact O-N 3.2Å
171K91.2Very high89.7Confident42 Ų4266.2 Ų66.218%0.18336%0.359CS..Hα-helixtrans-60.4-39.2173.5-71.8-167.2-174.5-144.30111.9V160 N161 N163 L166 D167 A175V160-K171 HydrophobicContact CG1-CB 3.57Å; V160-K171 HydrophobicContact CG1-CD 3.96Å; V160-K171 HydrophobicContact CG1-CG 3.76Å; V160-K171 WeakPolarHBondContact O-CD 3.43Å; V160-K171 VanDerWaalsContact O-CE 3.3Å; V160-K171 WeakPolarHBondContact O-CE 3.37Å; V160-K171 PolarHBondContact O-NZ 3.5Å; N161-K171 PolarHBondContact O-NZ 3.04Å; N163-K171 WeakPolarHBondContact O-CE 3.43Å; N163-K171 PolarHBondContact O-NZ 3.46Å; L166-K171 HydrophobicContact CB-CD 4.46Å; L166-K171 HydrophobicContact CB-CG 3.61Å; L166-K171 HydrophobicContact CD1-CG 4.31Å; L166-K171 WeakPolarHBondContact O-CE 3.44Å; D167-K171 WeakPolarHBondContact O-CB 3.38Å; D167-K171 WeakPolarHBondContact O-CG 3.27Å; D167-K171 PolarHBondContact O-N 3.46Å; K171-A175 WeakPolarHBondContact O-CB 3.39Å; K171-A175 PolarHBondContact O-N 3.48Å
172L89.6Confident89.9Confident114 Ų11461.6 Ų61.660%0.59733%0.334SS*.Hα-helixtrans-66.6-45174.8178.262.1000112.2A168 N169 E170 A175 K176A168-L172 WeakPolarHBondContact O-CB 3.38Å; A168-L172 PolarHBondContact O-N 3.1Å; N169-L172 WeakPolarHBondContact O-CB 3.48Å; N169-L172 PolarHBondContact O-N 2.8Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.32Å; L172-A175 PolarHBondContact O-N 3.03Å; L172-K176 VanDerWaalsContact O-CB 3.31Å; L172-K176 WeakPolarHBondContact O-CB 3.48Å; L172-K176 PolarHBondContact O-N 3.16Å
173I90.3Very high89.8Confident34 Ų3455.9 Ų55.917%0.17431%0.308CS..Hα-helixtrans-62.8-46.8177.2-66.7160.5000109.8Q41 T45 N169 E170 A175 K176 S177Q41-I173 HydrophobicContact CG-CG2 4.24Å; T45-I173 HydrophobicContact CG2-CG2 4.26Å; N169-I173 WeakPolarHBondContact ND2-CD1 3.35Å; N169-I173 VanDerWaalsContact O-CG1 3.28Å; N169-I173 WeakPolarHBondContact O-CG1 3.34Å; N169-I173 PolarHBondContact O-N 3.27Å; E170-I173 PolarHBondContact O-N 3.39Å; I173-A175 PolarHBondContact O-N 2.9Å; I173-K176 PolarHBondContact O-N 3.35Å; I173-S177 VanDerWaalsContact O-CB 3.29Å; I173-S177 WeakPolarHBondContact O-CB 3.37Å; I173-S177 PolarHBondContact O-N 3.23Å; I173-S177 PolarHBondContact O-OG 3.5Å
174F91.5Very high89.9Confident21 Ų2153.3 Ų53.39%0.09229%0.294CS..Hα-helixtrans-53.6-55.4174.8-170.6-56.3000111.2T45 S49 I156 V160 L166 E170 K176 S177 W178T45-F174 HydrophobicContact CG2-CB 4.34Å; S49-F174 VanDerWaalsContact CB-CZ 3.43Å; I156-F174 HydrophobicContact CG2-CD1 4.4Å; I156-F174 HydrophobicContact CG2-CE1 4.25Å; V160-F174 HydrophobicContact CG2-CB 4.13Å; V160-F174 HydrophobicContact CG2-CD1 3.18Å; V160-F174 HydrophobicContact CG2-CD2 4.39Å; V160-F174 HydrophobicContact CG2-CE1 3.52Å; V160-F174 HydrophobicContact CG2-CG 3.69Å; V160-F174 HydrophobicContact CG2-CZ 4.24Å; L166-F174 HydrophobicContact CD1-CD2 3.76Å; L166-F174 HydrophobicContact CD1-CE2 4.27Å; E170-F174 WeakPolarHBondContact O-CB 3.13Å; E170-F174 PolarHBondContact O-N 3.2Å; F174-K176 PolarHBondContact O-N 2.81Å; F174-S177 PolarHBondContact O-N 3.05Å; F174-W178 AromaticContact CD1-CD1 3.5Å; F174-W178 AromaticContact CE1-CD1 3.46Å; F174-W178 VanDerWaalsContact CE1-CD1 3.46Å; F174-W178 HydrophobicContact CE1-CG 4.41Å; F174-W178 AromaticContact CE1-NE1 3.57Å; F174-W178 PolarHBondContact O-N 3.41Å; F174-W178 VanDerWaalsContact O-N 3.08Å
175A90.3Very high90.1Very high31 Ų3146.4 Ų46.426%0.25626%0.257SS..Hα-helixtrans-59.1-46.4-177.800000111.6K171 L172 I173 W178 E179K171-A175 WeakPolarHBondContact O-CB 3.39Å; K171-A175 PolarHBondContact O-N 3.48Å; L172-A175 PolarHBondContact O-N 3.03Å; I173-A175 PolarHBondContact O-N 2.9Å; A175-W178 PolarHBondContact O-N 3.05Å; A175-E179 WeakPolarHBondContact O-CB 3.43Å; A175-E179 PolarHBondContact O-N 3.47Å
176K89.4Confident90.1Very high124 Ų12441.9 Ų41.954%0.53923%0.226SC..Hα-helixtrans-66.6-40.2179.4-171.5-173.3177.2-164.20113L172 I173 F174 W178 E179 N180L172-K176 VanDerWaalsContact O-CB 3.31Å; L172-K176 WeakPolarHBondContact O-CB 3.48Å; L172-K176 PolarHBondContact O-N 3.16Å; I173-K176 PolarHBondContact O-N 3.35Å; F174-K176 PolarHBondContact O-N 2.81Å; K176-W178 VanDerWaalsContact C-N 3.34Å; K176-W178 PolarHBondContact O-N 3.43Å; K176-E179 WeakPolarHBondContact O-CB 3.48Å; K176-E179 PolarHBondContact O-N 3.01Å; K176-N180 PolarHBondContact O-N 3.3Å
177S91Very high89.9Confident4 Ų440.2 Ų40.23%0.02822%0.217CC..Hα-helixtrans-62.8-41.1177-67.10000111.6I173 F174 L181I173-S177 VanDerWaalsContact O-CB 3.29Å; I173-S177 WeakPolarHBondContact O-CB 3.37Å; I173-S177 PolarHBondContact O-N 3.23Å; I173-S177 PolarHBondContact O-OG 3.5Å; F174-S177 PolarHBondContact O-N 3.05Å; S177-L181 PolarHBondContact O-N 3.23Å
178W91.8Very high89.7Confident2 Ų236 Ų361%0.00819%0.194CC..Hα-helixtrans-69.5-37.3171.4-84.192.5000112.7L46 S49 F50 F60 I156 F174 A175 K176 L181 I182L46-W178 HydrophobicContact CD2-CB 4.44Å; L46-W178 HydrophobicContact CD2-CD2 3.82Å; L46-W178 HydrophobicContact CD2-CE3 4.45Å; L46-W178 HydrophobicContact CD2-CG 3.8Å; S49-W178 PolarHBondContact OG-NE1 2.87Å; F50-W178 AromaticContact CD2-CH2 3.58Å; F50-W178 HydrophobicContact CD2-CH2 3.58Å; F50-W178 AromaticContact CD2-CZ2 3.91Å; F50-W178 HydrophobicContact CD2-CZ2 3.91Å; F50-W178 AromaticContact CE2-CH2 3.73Å; F50-W178 HydrophobicContact CE2-CH2 3.73Å; F60-W178 AromaticContact CE1-CH2 3.74Å; F60-W178 HydrophobicContact CE1-CH2 3.74Å; F60-W178 HydrophobicContact CE1-CZ3 4.06Å; F60-W178 AromaticContact CZ-CH2 3.75Å; F60-W178 HydrophobicContact CZ-CH2 3.75Å; F60-W178 AromaticContact CZ-CZ3 3.79Å; F60-W178 HydrophobicContact CZ-CZ3 3.79Å; I156-W178 HydrophobicContact CD1-CB 4.31Å; I156-W178 HydrophobicContact CD1-CD2 3.35Å; I156-W178 HydrophobicContact CD1-CE3 3.55Å; I156-W178 HydrophobicContact CD1-CG 3.7Å; I156-W178 HydrophobicContact CD1-CH2 4.31Å; I156-W178 HydrophobicContact CD1-CZ2 4.17Å; I156-W178 HydrophobicContact CD1-CZ3 4.03Å; I156-W178 HydrophobicContact CG1-CB 4.08Å; I156-W178 HydrophobicContact CG1-CD2 3.97Å; I156-W178 HydrophobicContact CG1-CE3 3.96Å; I156-W178 HydrophobicContact CG1-CG 4.03Å; I156-W178 HydrophobicContact CG2-CB 3.73Å; I156-W178 HydrophobicContact CG2-CG 4.05Å; F174-W178 AromaticContact CD1-CD1 3.5Å; F174-W178 AromaticContact CE1-CD1 3.46Å; F174-W178 VanDerWaalsContact CE1-CD1 3.46Å; F174-W178 HydrophobicContact CE1-CG 4.41Å; F174-W178 AromaticContact CE1-NE1 3.57Å; F174-W178 PolarHBondContact O-N 3.41Å; F174-W178 VanDerWaalsContact O-N 3.08Å; A175-W178 PolarHBondContact O-N 3.05Å; K176-W178 VanDerWaalsContact C-N 3.34Å; K176-W178 PolarHBondContact O-N 3.43Å; W178-L181 HydrophobicContact CD2-CD2 4.44Å; W178-L181 HydrophobicContact CE3-CD2 3.78Å; W178-L181 HydrophobicContact CH2-CD2 4.45Å; W178-L181 HydrophobicContact CZ3-CD2 3.79Å; W178-L181 PolarHBondContact O-N 2.98Å; W178-I182 HydrophobicContact CB-CD1 4.41Å; W178-I182 HydrophobicContact CE3-CD1 4.45Å; W178-I182 VanDerWaalsContact O-CD1 3.24Å; W178-I182 WeakPolarHBondContact O-CD1 3.45Å; W178-I182 WeakPolarHBondContact O-CG1 3.31Å; W178-I182 PolarHBondContact O-N 3.43Å
179E89Confident89.6Confident75 Ų7532.2 Ų32.235%0.3516%0.162SC..Hα-helixtrans-57.7-51.1175.1-162.6177.7-170.700111.2R26 Y149 L153 A175 K176 L181 I182 D183R26-E179 IonicContact NH2-OE1 2.69Å; Y149-E179 WeakPolarHBondContact OH-CG 3.35Å; Y149-E179 PolarHBondContact OH-OE1 3.07Å; L153-E179 HydrophobicContact CD2-CB 4.35Å; L153-E179 HydrophobicContact CD2-CG 4.21Å; A175-E179 WeakPolarHBondContact O-CB 3.43Å; A175-E179 PolarHBondContact O-N 3.47Å; K176-E179 WeakPolarHBondContact O-CB 3.48Å; K176-E179 PolarHBondContact O-N 3.01Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 2.81Å; E179-I182 PolarHBondContact O-N 3.41Å; E179-D183 WeakPolarHBondContact O-CB 3.2Å; E179-D183 PolarHBondContact O-N 3.38Å
180N87Confident89.4Confident14 Ų1427.7 Ų27.78%0.07514%0.138CC..Hα-helixtrans-53-47174.4-76.3-5000112.1L37 K176 Y184L37-N180 HydrophobicContact CD2-CB 3.93Å; K176-N180 PolarHBondContact O-N 3.3Å; N180-Y184 WeakPolarHBondContact O-CB 3.45Å; N180-Y184 PolarHBondContact O-N 3.28Å
181L90.3Very high89Confident0 Ų026.1 Ų26.10%013%0.129CC..Hα-helixtrans-62.2-44179.5175.869.3000112.4F38 L46 F108 A111 V112 S177 W178 E179 V185F38-L181 HydrophobicContact CE1-CD1 3.93Å; F38-L181 HydrophobicContact CZ-CD1 4.1Å; L46-L181 HydrophobicContact CD1-CB 3.95Å; L46-L181 HydrophobicContact CD1-CD1 4.37Å; L46-L181 HydrophobicContact CD1-CD2 4.28Å; L46-L181 HydrophobicContact CD1-CG 4.43Å; L46-L181 HydrophobicContact CD2-CB 4.09Å; L46-L181 HydrophobicContact CD2-CD2 3.77Å; F108-L181 HydrophobicContact CD1-CD2 4.26Å; F108-L181 HydrophobicContact CD1-CG 4.43Å; A111-L181 HydrophobicContact CB-CD1 3.68Å; V112-L181 HydrophobicContact CG2-CD1 4.07Å; V112-L181 HydrophobicContact CG2-CD2 3.45Å; V112-L181 VanDerWaalsContact CG2-CD2 3.45Å; V112-L181 HydrophobicContact CG2-CG 4.42Å; S177-L181 PolarHBondContact O-N 3.23Å; W178-L181 HydrophobicContact CD2-CD2 4.44Å; W178-L181 HydrophobicContact CE3-CD2 3.78Å; W178-L181 HydrophobicContact CH2-CD2 4.45Å; W178-L181 HydrophobicContact CZ3-CD2 3.79Å; W178-L181 PolarHBondContact O-N 2.98Å; E179-L181 VanDerWaalsContact C-N 3.32Å; E179-L181 PolarHBondContact O-N 2.81Å; L181-V185 HydrophobicContact CD1-CG2 4.27Å; L181-V185 WeakPolarHBondContact O-CB 3.08Å; L181-V185 VanDerWaalsContact O-CG2 3.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.5Å; L181-V185 PolarHBondContact O-N 2.78Å
182I89.9Confident88.8Confident0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-73-39.3-176.7-58.9155000109.6F108 Y149 V152 L153 I156 W178 E179 Y184 V185 V186F108-I182 HydrophobicContact CE1-CG1 4.2Å; Y149-I182 HydrophobicContact CD2-CB 4.4Å; Y149-I182 HydrophobicContact CD2-CG2 3.59Å; Y149-I182 HydrophobicContact CE2-CB 4.25Å; Y149-I182 HydrophobicContact CE2-CG2 3.92Å; Y149-I182 HydrophobicContact CG-CG2 4.29Å; V152-I182 HydrophobicContact CB-CD1 3.9Å; V152-I182 HydrophobicContact CB-CG1 4.27Å; V152-I182 HydrophobicContact CB-CG2 4.21Å; V152-I182 HydrophobicContact CG1-CD1 3.43Å; V152-I182 VanDerWaalsContact CG1-CD1 3.43Å; V152-I182 HydrophobicContact CG1-CG1 3.76Å; L153-I182 HydrophobicContact CD2-CD1 3.78Å; I156-I182 HydrophobicContact CG1-CD1 4.35Å; W178-I182 HydrophobicContact CB-CD1 4.41Å; W178-I182 HydrophobicContact CE3-CD1 4.45Å; W178-I182 VanDerWaalsContact O-CD1 3.24Å; W178-I182 WeakPolarHBondContact O-CD1 3.45Å; W178-I182 WeakPolarHBondContact O-CG1 3.31Å; W178-I182 PolarHBondContact O-N 3.43Å; E179-I182 PolarHBondContact O-N 3.41Å; I182-Y184 VanDerWaalsContact C-N 3.35Å; I182-V185 PolarHBondContact O-N 2.77Å; I182-V186 HydrophobicContact CG2-CG2 4.07Å; I182-V186 WeakPolarHBondContact O-CB 3.46Å; I182-V186 VanDerWaalsContact O-CG2 3.25Å; I182-V186 WeakPolarHBondContact O-CG2 3.45Å; I182-V186 PolarHBondContact O-N 3.2Å
183D86.2Confident88.7Confident17 Ų1718.8 Ų18.89%0.0919%0.092CC..Hα-helixtrans-61-43.5174.4-155.672.7000111.3R26 Y149 E179 S187R26-D183 IonicContact CZ-OD1 3.35Å; R26-D183 IonicContact NE-OD1 2.75Å; R26-D183 PolarHBondContact NE-OD1 3.2Å; R26-D183 IonicContact NH2-OD1 3.46Å; R26-D183 PolarHBondContact NH2-OD1 3.42Å; Y149-D183 HydrophobicContact CE2-CB 4.15Å; E179-D183 WeakPolarHBondContact O-CB 3.2Å; E179-D183 PolarHBondContact O-N 3.38Å; D183-S187 WeakPolarHBondContact O-CB 3.36Å; D183-S187 PolarHBondContact O-N 3.18Å; D183-S187 PolarHBondContact O-OG 3.3Å
184Y87.7Confident88.3Confident1 Ų119.2 Ų19.20%0.0049%0.092CC..Hα-helixtrans-59.7-54.6171.8173.2-89.2000112.5Y30 L37 F38 I121 E122 L125 N180 I182 V186 S187 V188Y30-Y184 AromaticContact CE2-CD2 3.61Å; Y30-Y184 HydrophobicContact CE2-CD2 3.61Å; Y30-Y184 HydrophobicContact CE2-CG 4.12Å; Y30-Y184 AromaticContact CZ-CD2 3.84Å; Y30-Y184 WeakPolarHBondContact OH-CD2 3.4Å; Y30-Y184 VanDerWaalsContact OH-CE2 3.31Å; Y30-Y184 WeakPolarHBondContact OH-CE2 3.35Å; L37-Y184 HydrophobicContact CD1-CD2 4.16Å; F38-Y184 AromaticContact CE2-CD1 3.94Å; F38-Y184 HydrophobicContact CE2-CD1 3.94Å; F38-Y184 AromaticContact CE2-CD2 3.54Å; F38-Y184 HydrophobicContact CE2-CD2 3.54Å; F38-Y184 HydrophobicContact CE2-CE1 4.09Å; F38-Y184 AromaticContact CE2-CE2 3.75Å; F38-Y184 HydrophobicContact CE2-CE2 3.75Å; F38-Y184 AromaticContact CE2-CG 3.69Å; F38-Y184 HydrophobicContact CE2-CG 3.69Å; F38-Y184 AromaticContact CZ-CD1 3.75Å; F38-Y184 HydrophobicContact CZ-CD1 3.75Å; F38-Y184 HydrophobicContact CZ-CD2 4.07Å; F38-Y184 HydrophobicContact CZ-CE1 4.19Å; F38-Y184 AromaticContact CZ-CG 3.7Å; F38-Y184 HydrophobicContact CZ-CG 3.7Å; I121-Y184 HydrophobicContact CG2-CE1 3.71Å; I121-Y184 WeakPolarHBondContact CG2-OH 3.43Å; E122-Y184 HydrophobicContact CG-CE2 4.43Å; E122-Y184 WeakPolarHBondContact CG-OH 3.23Å; L125-Y184 HydrophobicContact CD1-CD1 3.89Å; L125-Y184 HydrophobicContact CD1-CE1 3.36Å; N180-Y184 WeakPolarHBondContact O-CB 3.45Å; N180-Y184 PolarHBondContact O-N 3.28Å; I182-Y184 VanDerWaalsContact C-N 3.35Å; Y184-V186 PolarHBondContact O-N 3.5Å; Y184-S187 PolarHBondContact O-N 3.01Å; Y184-V188 WeakPolarHBondContact O-CG2 3.49Å; Y184-V188 PolarHBondContact O-N 3.06Å; Y184-V188 VanDerWaalsContact O-N 3.15Å
185V90.9Very high87.4Confident5 Ų519 Ų193%0.039%0.093CC..Hα-helixtrans-61.7-45.2-176.9167.80000111.3T107 F108 A111 L125 L181 I182 V189T107-V185 HydrophobicContact CG2-CG1 4.23Å; F108-V185 HydrophobicContact CD1-CG1 4.43Å; F108-V185 HydrophobicContact CD1-CG2 4.13Å; F108-V185 HydrophobicContact CE1-CB 4.14Å; F108-V185 HydrophobicContact CE1-CG1 3.98Å; F108-V185 HydrophobicContact CE1-CG2 4.24Å; A111-V185 HydrophobicContact CB-CG2 4.02Å; L125-V185 HydrophobicContact CD1-CG2 4.3Å; L125-V185 HydrophobicContact CD2-CG1 4.17Å; L125-V185 HydrophobicContact CD2-CG2 4.43Å; L181-V185 HydrophobicContact CD1-CG2 4.27Å; L181-V185 WeakPolarHBondContact O-CB 3.08Å; L181-V185 VanDerWaalsContact O-CG2 3.31Å; L181-V185 WeakPolarHBondContact O-CG2 3.5Å; L181-V185 PolarHBondContact O-N 2.78Å; I182-V185 PolarHBondContact O-N 2.77Å; V185-V189 WeakPolarHBondContact O-CB 3.22Å; V185-V189 WeakPolarHBondContact O-CG2 3.25Å; V185-V189 PolarHBondContact O-N 2.81Å
186V89.4Confident86.4Confident4 Ų419.3 Ų19.32%0.0249%0.09CC..Hα-helixtrans-71-42.8-178.2177.70000111.1F27 W145 F148 Y149 I182 Y184 V189 A190F27-V186 HydrophobicContact CE1-CG1 4.03Å; W145-V186 HydrophobicContact CB-CG1 3.98Å; F148-V186 HydrophobicContact CD1-CG2 3.54Å; F148-V186 HydrophobicContact CE1-CG2 3.72Å; Y149-V186 HydrophobicContact CD2-CG2 4.4Å; I182-V186 HydrophobicContact CG2-CG2 4.07Å; I182-V186 WeakPolarHBondContact O-CB 3.46Å; I182-V186 VanDerWaalsContact O-CG2 3.25Å; I182-V186 WeakPolarHBondContact O-CG2 3.45Å; I182-V186 PolarHBondContact O-N 3.2Å; Y184-V186 PolarHBondContact O-N 3.5Å; V186-V189 PolarHBondContact O-N 3.4Å; V186-A190 WeakPolarHBondContact O-CB 3.35Å; V186-A190 PolarHBondContact O-N 3.22Å
187S85.3Confident85Confident0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-63.4-45.9-178.5-62.20000112.4Y30 D183 Y184 W191Y30-S187 WeakPolarHBondContact CB-OG 3.22Å; Y30-S187 VanDerWaalsContact CD1-CB 3.47Å; D183-S187 WeakPolarHBondContact O-CB 3.36Å; D183-S187 PolarHBondContact O-N 3.18Å; D183-S187 PolarHBondContact O-OG 3.3Å; Y184-S187 PolarHBondContact O-N 3.01Å; S187-W191 WeakPolarHBondContact O-CB 3.38Å; S187-W191 PolarHBondContact O-N 3.08Å
188V88Confident83.2Confident0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-67.7-38.7179.2-1790000111.7Y30 W31 L125 M126 Y184 A192Y30-V188 HydrophobicContact CE1-CG2 3.85Å; Y30-V188 VanDerWaalsContact OH-CG2 3.28Å; Y30-V188 WeakPolarHBondContact OH-CG2 3.5Å; W31-V188 HydrophobicContact CH2-CG2 4.32Å; L125-V188 HydrophobicContact CB-CB 4.05Å; L125-V188 HydrophobicContact CB-CG1 3.58Å; L125-V188 HydrophobicContact CD1-CB 4.07Å; L125-V188 HydrophobicContact CD1-CG1 4.33Å; L125-V188 HydrophobicContact CD1-CG2 4.5Å; M126-V188 HydrophobicContact CE-CG1 4.39Å; M126-V188 HydrophobicContact CG-CG1 3.78Å; Y184-V188 WeakPolarHBondContact O-CG2 3.49Å; Y184-V188 PolarHBondContact O-N 3.06Å; Y184-V188 VanDerWaalsContact O-N 3.15Å; V188-A192 VanDerWaalsContact O-CB 3.29Å; V188-A192 WeakPolarHBondContact O-CB 3.21Å; V188-A192 PolarHBondContact O-N 3.46Å; V188-A192 VanDerWaalsContact O-N 3.08Å
189V90.5Very high80.8Confident9 Ų927.2 Ų27.26%0.05514%0.137CC..Hα-helixtrans-69-45.4177.8171.60000111.5L125 I128 G129 W145 V185 V186 A192 F193L125-V189 HydrophobicContact CB-CG2 4.09Å; L125-V189 HydrophobicContact CD2-CG2 3.98Å; I128-V189 HydrophobicContact CB-CG2 4.5Å; I128-V189 HydrophobicContact CG2-CG1 4.36Å; I128-V189 HydrophobicContact CG2-CG2 4.17Å; G129-V189 WeakPolarHBondContact CA-O 3.33Å; W145-V189 HydrophobicContact CE3-CG1 4.38Å; W145-V189 HydrophobicContact CH2-CG1 3.8Å; W145-V189 HydrophobicContact CZ3-CG1 3.58Å; V185-V189 WeakPolarHBondContact O-CB 3.22Å; V185-V189 WeakPolarHBondContact O-CG2 3.25Å; V185-V189 PolarHBondContact O-N 2.81Å; V186-V189 PolarHBondContact O-N 3.4Å; V189-A192 PolarHBondContact O-N 3.17Å; V189-F193 WeakPolarHBondContact O-CB 3.39Å; V189-F193 PolarHBondContact O-N 3.46Å
190A87Confident78.5Confident0 Ų029.5 Ų29.50%016%0.158CC..Hα-helixtrans-67-42.6178.700000111.8F27 W145 V186 A192 F193 Y194F27-A190 HydrophobicContact CE1-CB 4.42Å; F27-A190 HydrophobicContact CE2-CB 4.28Å; F27-A190 HydrophobicContact CZ-CB 4.16Å; W145-A190 HydrophobicContact CD2-CB 4.19Å; W145-A190 HydrophobicContact CG-CB 4.03Å; V186-A190 WeakPolarHBondContact O-CB 3.35Å; V186-A190 PolarHBondContact O-N 3.22Å; A190-A192 VanDerWaalsContact C-N 3.32Å; A190-A192 PolarHBondContact O-N 3.06Å; A190-F193 WeakPolarHBondContact O-CB 3.41Å; A190-F193 PolarHBondContact O-N 2.87Å; A190-F193 VanDerWaalsContact O-N 3.12Å; A190-Y194 HydrophobicContact CB-CE2 4.46Å; A190-Y194 WeakPolarHBondContact O-CD2 3.29Å; A190-Y194 PolarHBondContact O-N 3.28Å
191W82.7Confident76.2Confident51 Ų5136.7 Ų36.719%0.19319%0.191CC..Hα-helixtrans-57.3-45.2172.9179.5-89.9000111.8I9 W31 S187 F193 C195I9-W191 HydrophobicContact CD1-CE3 3.98Å; I9-W191 HydrophobicContact CD1-CZ3 4.06Å; I9-W191 HydrophobicContact CG1-CE3 3.78Å; I9-W191 HydrophobicContact CG1-CZ3 3.77Å; W31-W191 HydrophobicContact CZ2-CB 4.34Å; W31-W191 HydrophobicContact CZ2-CD2 4.27Å; W31-W191 AromaticContact CZ2-CG 3.97Å; W31-W191 HydrophobicContact CZ2-CG 3.97Å; W31-W191 AromaticContact NE1-CD2 3.64Å; W31-W191 AromaticContact NE1-CE3 3.48Å; W31-W191 AromaticContact NE1-CZ3 3.91Å; S187-W191 WeakPolarHBondContact O-CB 3.38Å; S187-W191 PolarHBondContact O-N 3.08Å; W191-F193 VanDerWaalsContact C-N 3.29Å; W191-F193 PolarHBondContact O-N 3.23Å; W191-C195 HydrophobicContact CD2-CB 4.29Å; W191-C195 VanDerWaalsContact O-CB 3.3Å; W191-C195 WeakPolarHBondContact O-CB 3.42Å; W191-C195 PolarHBondContact O-N 2.84Å
192A86.9Confident73.7Confident0 Ų038.7 Ų38.70%021%0.205CC..Hα-helixtrans-70.8-22.2177.400000114.3M126 V188 V189 A190 L196M126-A192 VanDerWaalsContact CA-CB 3.48Å; M126-A192 HydrophobicContact CB-CB 3.93Å; M126-A192 HydrophobicContact CG-CB 4.04Å; M126-A192 WeakPolarHBondContact O-CB 3.26Å; V188-A192 VanDerWaalsContact O-CB 3.29Å; V188-A192 WeakPolarHBondContact O-CB 3.21Å; V188-A192 PolarHBondContact O-N 3.46Å; V188-A192 VanDerWaalsContact O-N 3.08Å; V189-A192 PolarHBondContact O-N 3.17Å; A190-A192 VanDerWaalsContact C-N 3.32Å; A190-A192 PolarHBondContact O-N 3.06Å; A192-L196 HydrophobicContact CB-CD1 3.84Å; A192-L196 HydrophobicContact CB-CG 4.47Å
193F88.1Confident71.2Confident2 Ų242.9 Ų42.91%0.00923%0.234CC..Hα-helixtrans-75.6-50172.9-179.8-91.1000111.9H132 R133 L136 P137 L140 W145 V189 A190 W191H132-F193 HydrophobicContact CB-CD2 3.77Å; H132-F193 HydrophobicContact CB-CE2 4.12Å; R133-F193 HydrophobicContact CB-CD2 3.94Å; R133-F193 HydrophobicContact CB-CE2 4.18Å; R133-F193 WeakPolarHBondContact CD-O 3.29Å; R133-F193 PolarHBondContact NE-O 3.41Å; R133-F193 PolarHBondContact NH1-O 2.82Å; L136-F193 HydrophobicContact CB-CE2 4.1Å; L136-F193 HydrophobicContact CB-CZ 4.34Å; L136-F193 HydrophobicContact CD1-CE2 4.46Å; P137-F193 WeakPolarHBondContact O-CZ 3.5Å; L140-F193 HydrophobicContact CB-CE1 4.01Å; L140-F193 HydrophobicContact CB-CZ 3.8Å; L140-F193 HydrophobicContact CD2-CE1 4.33Å; L140-F193 HydrophobicContact CD2-CE2 4.45Å; L140-F193 HydrophobicContact CD2-CZ 3.93Å; W145-F193 HydrophobicContact CZ2-CB 3.96Å; W145-F193 HydrophobicContact CZ2-CD1 4.13Å; W145-F193 AromaticContact CZ2-CD2 3.83Å; W145-F193 HydrophobicContact CZ2-CD2 3.83Å; W145-F193 HydrophobicContact CZ2-CE2 4.35Å; W145-F193 AromaticContact CZ2-CG 3.7Å; W145-F193 HydrophobicContact CZ2-CG 3.7Å; V189-F193 WeakPolarHBondContact O-CB 3.39Å; V189-F193 PolarHBondContact O-N 3.46Å; A190-F193 WeakPolarHBondContact O-CB 3.41Å; A190-F193 PolarHBondContact O-N 2.87Å; A190-F193 VanDerWaalsContact O-N 3.12Å; W191-F193 VanDerWaalsContact C-N 3.29Å; W191-F193 PolarHBondContact O-N 3.23Å
194Y80.5Confident68.5Low43 Ų4351.7 Ų51.717%0.16927%0.266CS..Hα-helixtrans-82.5-52-176.4-65.3-67000113R133 L140 M142 W145 A190R133-Y194 PolarHBondContact NH1-O 2.78Å; R133-Y194 PolarHBondContact NH2-O 3.02Å; L140-Y194 WeakPolarHBondContact O-CE1 3.41Å; L140-Y194 PolarHBondContact O-OH 3.5Å; M142-Y194 WeakPolarHBondContact CA-OH 3.45Å; M142-Y194 HydrophobicContact CE-CD2 4.22Å; M142-Y194 HydrophobicContact CE-CE2 4.31Å; M142-Y194 HydrophobicContact CE-CG 4.44Å; M142-Y194 HydrophobicContact CG-CE1 4.44Å; M142-Y194 HydrophobicContact CG-CE2 3.75Å; M142-Y194 PolarHBondContact N-OH 2.67Å; W145-Y194 AromaticContact CD1-CE2 3.61Å; W145-Y194 AromaticContact CD1-CZ 3.89Å; W145-Y194 VanDerWaalsContact CD1-OH 3.29Å; W145-Y194 AromaticContact NE1-CE2 3.43Å; W145-Y194 AromaticContact NE1-CZ 3.55Å; W145-Y194 PolarHBondContact NE1-OH 2.85Å; W145-Y194 VanDerWaalsContact NE1-OH 3.1Å; A190-Y194 HydrophobicContact CB-CE2 4.46Å; A190-Y194 WeakPolarHBondContact O-CD2 3.29Å; A190-Y194 PolarHBondContact O-N 3.28Å
195C73.8Confident65.8Low18 Ų1858.6 Ų58.612%0.12230%0.303CS..THydrogen-bonded Turntrans-83.1-44.3-167.7-58.40000112.9C5 W191 E197C5-C195 PolarHBondContact SG-O 3.04Å; W191-C195 HydrophobicContact CD2-CB 4.29Å; W191-C195 VanDerWaalsContact O-CB 3.3Å; W191-C195 WeakPolarHBondContact O-CB 3.42Å; W191-C195 PolarHBondContact O-N 2.84Å; C195-E197 PolarHBondContact O-N 3.31Å
196L68.3Low62.8Low37 Ų3763.6 Ų63.619%0.19433%0.326CS..SBendtrans-78.1122-173.8-58-179.8000111.7M126 R133 A192M126-L196 HydrophobicContact CB-CD1 4.29Å; M126-L196 HydrophobicContact CG-CD1 4.18Å; M126-L196 HydrophobicContact SD-CD1 3.96Å; R133-L196 PolarHBondContact NH1-O 3.46Å; A192-L196 HydrophobicContact CB-CD1 3.84Å; A192-L196 HydrophobicContact CB-CG 4.47Å
197E60.8Low59.9Low151 Ų15168.9 Ų68.971%0.70636%0.36SS*.  trans-54140.8176.6-66.1-175.8163.800111.7C195 N199C195-E197 PolarHBondContact O-N 3.31Å; E197-N199 PolarHBondContact O-N 3.38Å; E197-N199 VanDerWaalsContact O-N 3.09Å
198P53Low57.3Low65 Ų6575.3 Ų75.342%0.42240%0.399SS..  trans-69108.9177.428.2-31.7000109.2P200P198-P200 WeakPolarHBondContact O-CD 3.21Å
199N42Very low54.6Low80 Ų8083 Ų8343%0.42843%0.432SS..  trans-65.4116.8177.2177.7-4.9000109.6E197 Q201 S202E197-N199 PolarHBondContact O-N 3.38Å; E197-N199 VanDerWaalsContact O-N 3.09Å; N199-Q201 PolarHBondContact O-N 3.14Å; N199-Q201 WeakPolarHBondContact OD1-CB 3.18Å; N199-Q201 PolarHBondContact OD1-N 3.38Å; N199-S202 WeakPolarHBondContact O-CB 3.5Å; N199-S202 PolarHBondContact O-N 3.06Å
200P40.4Very low51.8Low123 Ų12391.4 Ų91.480%0.79947%0.468SS*.THydrogen-bonded Turntrans-61.3-12.7-177.2-24.235.6000114.9P198P198-P200 WeakPolarHBondContact O-CD 3.21Å
201Q39Very low49.1Very low164 Ų16497.9 Ų97.977%0.76651%0.508SS*.THydrogen-bonded Turntrans-92.8-9.2177.7-58.6-178.6-7.700113.4N199N199-Q201 PolarHBondContact O-N 3.14Å; N199-Q201 WeakPolarHBondContact OD1-CB 3.18Å; N199-Q201 PolarHBondContact OD1-N 3.38Å
202S38Very low46.7Very low43 Ų43104.1 Ų104.130%0.30154%0.539SS..G310 helixtrans-63.4-41.3-178-177.80000112.9E134 N199 R204E134-S202 WeakPolarHBondContact OE1-CB 3.22Å; E134-S202 PolarHBondContact OE1-OG 3.01Å; N199-S202 WeakPolarHBondContact O-CB 3.5Å; N199-S202 PolarHBondContact O-N 3.06Å; S202-R204 PolarHBondContact O-N 3.09Å
203S36.7Very low44Very low87 Ų87113.9 Ų113.961%0.60858%0.581SS**G310 helixtrans-69.43.4-170.7-41.50000115.3E134E134-S203 VanDerWaalsContact OE2-CA 3.29Å; E134-S203 WeakPolarHBondContact OE2-CA 3.25Å; E134-S203 VanDerWaalsContact OE2-CB 3.26Å; E134-S203 WeakPolarHBondContact OE2-CB 3.4Å; E134-S203 PolarHBondContact OE2-N 2.99Å; E134-S203 PolarHBondContact OE2-OG 3.01Å
204R29.3Very low41.2Very low202 Ų202118.2 Ų118.276%0.76262%0.618SS**G310 helixtrans-130.646.4-173.4-150.5178.7-172.6177.13.9113.9S202 E206S202-R204 PolarHBondContact O-N 3.09Å; R204-E206 PolarHBondContact O-N 3.4Å
205L31.3Very low38.7Very low147 Ų147122.2 Ų122.277%0.7765%0.651SS**  trans-6587.8156.2-71.1175.4000109.3
206E28Very low36.5Very low110 Ų110130.3 Ų130.351%0.51469%0.687SS.*  trans-52.7145.7164.7-70.8-160.8172.900109.6R204 V208 K209R204-E206 PolarHBondContact O-N 3.4Å; E206-V208 PolarHBondContact O-N 2.73Å; E206-V208 VanDerWaalsContact O-N 3.13Å; E206-K209 IonicContact OE2-NZ 2.99Å
207P28.7Very low34.8Very low114 Ų114134.6 Ų134.674%0.7472%0.717SS**  trans-56.6125.1175.424.8-34.1000108.8K209P207-K209 PolarHBondContact O-N 3.3Å
208V30.2Very low33.4Very low135 Ų135134 Ų13482%0.81872%0.723SS**  trans-56.7100.2-176.1179.40000109E206 K210E206-V208 PolarHBondContact O-N 2.73Å; E206-V208 VanDerWaalsContact O-N 3.13Å; V208-K210 PolarHBondContact O-N 3.47Å
209K31.8Very low32.6Very low162 Ų162136 Ų13670%0.70475%0.746SS**  trans-57.6111.1173.6-76.6169.9178.6145.30106.5E206 P207 T211E206-K209 IonicContact OE2-NZ 2.99Å; P207-K209 PolarHBondContact O-N 3.3Å; K209-T211 PolarHBondContact O-N 2.57Å
210K31.2Very low32.2Very low186 Ų186136.1 Ų136.181%0.80977%0.766SS**  trans-50.5112.6-178.8-71.2-177.7177.5179.90108.7V208 Q212V208-K210 PolarHBondContact O-N 3.47Å; K210-Q212 PolarHBondContact O-N 3.48Å
211T31.5Very low32.1Very low135 Ų135140.4 Ų140.483%0.82877%0.772SS**  trans-73.473.1-178.1-39.10000110.1K209 K213K209-T211 PolarHBondContact O-N 2.57Å; T211-K213 VanDerWaalsContact C-N 3.31Å; T211-K213 PolarHBondContact O-N 2.6Å
212Q30.3Very low32.1Very low182 Ų182136.6 Ų136.685%0.8577%0.768SS**  trans-66.487.9174-77.9-173.3-38.400109.9K210K210-Q212 PolarHBondContact O-N 3.48Å
213K31.6Very low32.1Very low205 Ų205141.8 Ų141.889%0.89179%0.788SS**  trans-163.781.5160.5-112.3164.3-174.2179.60111.4T211T211-K213 VanDerWaalsContact C-N 3.31Å; T211-K213 PolarHBondContact O-N 2.6Å
214A29.5Very low32.4Very low94 Ų94146.1 Ų146.178%0.77780%0.796SS**SBendtrans-145130.2162.100000109.3
215C27.2Very low33Very low126 Ų126145.8 Ų145.885%0.85180%0.8SS**  trans40.299.3164-60.10000119.1
216Q28.3Very low33.8Very low189 Ų189143.2 Ų143.288%0.88379%0.792SS**PPolyproline II helixtrans-78.5136.4144.9-70.7178.9-55.200109.7
217P32.3Very low34.5Very low126 Ų126144.1 Ų144.182%0.81881%0.805SS**PPolyproline II helixtrans-94.5146.5147.5-827.4000110.4
218T31.2Very low35.4Very low138 Ų138142.3 Ų142.385%0.84780%0.8SS**PPolyproline II helixtrans-94.2126.1-175.949.80000113.5
219A35.5Very low36.2Very low109 Ų109142.4 Ų142.490%0.90180%0.796SS**  trans-174.4156.2147.400000111.2
220G34Very low36.8Very low82 Ų82141 Ų14185%0.84580%0.796SS**  trans115.9106.7163.100000116.1
221K38.6Very low37.3Very low213 Ų213138.6 Ų138.693%0.92679%0.787SS**  trans-77.3165.8164.3-49.5170-176.6173.70108.3
222A38.3Very low38.1Very low83 Ų83136.8 Ų136.869%0.68678%0.78SS**  cis-157.2173.217.200000112.1
223E38.3Very low38.8Very low153 Ų153134.7 Ų134.772%0.71577%0.768SS**  trans32140.2139.5-65.5-175.5-178.400121.9
224K42.9Very low39.2Very low177 Ų177134.3 Ų134.377%0.7777%0.767SS**  cis-154.8149.317.1-121.3151-175.5150.30113.6
225K43.1Very low40Very low196 Ų196135.3 Ų135.385%0.85277%0.765SS**  trans-42.1-179.6161.5-104.7-176.6174.9-171.80117.1
226P46.9Very low41Very low93 Ų93133.8 Ų133.860%0.60476%0.756SS**  cis-147172.5-11.635.3-13.9000119
227T43.3Very low41.7Very low128 Ų128129.6 Ų129.679%0.78574%0.74SS**  trans65.4159.7143.546.30000120.5
228A48.1Very low42.2Very low76 Ų76132.7 Ų132.763%0.62874%0.735SS**  cis-145.1149.916.500000115.1
229D45.9Very low42.7Very low138 Ų138134 Ų13474%0.73873%0.731SS**  trans58.9153.1133.9-54.8-3.4000121.7
230N44.4Very low43.1Very low131 Ų131133.7 Ų133.770%0.70172%0.722SS**  cis-145.41703.7-139.4-21000115.3
231E41.6Very low43.5Very low136 Ų136135.3 Ų135.364%0.63672%0.721SS**  trans-56.9157.1-178.6-53.1173103.800115.6K233E231-K233 WeakPolarHBondContact OE1-CE 3.2Å; E231-K233 IonicContact OE1-NZ 3.1Å; E231-K233 PolarHBondContact OE1-NZ 2.95Å; E231-K233 VanDerWaalsContact OE1-NZ 3.1Å; E231-K233 IonicContact OE2-NZ 2.7Å; E231-K233 PolarHBondContact OE2-NZ 3.02Å
232S48.5Very low43.8Very low97 Ų97131.1 Ų131.168%0.67872%0.715SS**  176.3178.273-68.20000111.6
233K45.5Very low43.9Very low139 Ų139135.8 Ų135.860%0.60472%0.723SS**  cis-164.4136.9-37.9-88.7162.7-171.11100103.7E231E231-K233 WeakPolarHBondContact OE1-CE 3.2Å; E231-K233 IonicContact OE1-NZ 3.1Å; E231-K233 PolarHBondContact OE1-NZ 2.95Å; E231-K233 VanDerWaalsContact OE1-NZ 3.1Å; E231-K233 IonicContact OE2-NZ 2.7Å; E231-K233 PolarHBondContact OE2-NZ 3.02Å
234K40.4Very low43.9Very low196 Ų196135.6 Ų135.685%0.85273%0.727SS**  70.4147.258.8-138.2-164.8-176.7-170.90113.6
235P45Very low44Very low115 Ų115137 Ų13775%0.74773%0.733SS**  cis-109.4-158.9-12.645.4-33.3000111.3
236S48.8Very low44.2Very low95 Ų95137 Ų13766%0.66473%0.733SS**  cis-127.5-131.7-8.239.50000108.9
237D43.6Very low43.9Very low100 Ų100138.6 Ų138.654%0.53574%0.743SS.*  cis-165.5172-13.6-126.2-43.2000106.5
238R41.6Very low44.1Very low191 Ų191141.4 Ų141.472%0.72175%0.748SS**  cis-140.2-115.3-7.6-176.3144.6-70.1-150.64.3110.4
239H42.9Very low43.5Very low166 Ų166142.6 Ų142.677%0.76975%0.749SS**  trans-152.4168.7-168.4-58.5-62.5000109.8
240S43.4Very low43.5Very low102 Ų102146.2 Ų146.271%0.71376%0.758SS**  cis-149.413217.8-43.20000109.6
241S43.3Very low43.7Very low116 Ų116147.5 Ų147.581%0.81176%0.76SS**  95.4153.794.3-68.30000115
242P43.5Very low43.7Very low125 Ų125148.3 Ų148.381%0.81276%0.763SS**  trans-125.1172.8-152.342.3-29.3000115.7
243E41.8Very low43.6Very low182 Ų182152.4 Ų152.485%0.8577%0.769SS**  trans-144.6159.6156.6-131.1-168.4144.800113.9
244N38.1Very low43.8Very low148 Ų148153.5 Ų153.579%0.79178%0.776SS**  trans-97.2153.6-171.3-74.2-77.7000113.4
245K44Very low44.2Very low207 Ų207149.8 Ų149.890%0.976%0.762SS**  trans-154.8159.9130.9-108.2139.5-169.1165.60113.4
246K48.4Very low44.3Very low196 Ų196154.9 Ų154.985%0.85277%0.766SS**  trans-76.6162.6-158.2-76.4179.1176.3178.10114.6
247P40.6Very low44.3Very low127 Ų127159.7 Ų159.783%0.82577%0.77SS**  trans-76.5154.1171.133.5-36.7000112.6
248E47.5Very low44.6Very low187 Ų187160.7 Ų160.787%0.87477%0.771SS**  trans-129.9162.1174.9-85.5-155.3131.100112.7
249P34Very low45.2Very low101 Ų101160.7 Ų160.766%0.65678%0.777SS**  trans-87159.1-141.7-16.833.2000118Q251P249-Q251 VanDerWaalsContact C-N 3.34Å; P249-Q251 PolarHBondContact O-N 2.94Å
250K46.8Very low45.5Very low214 Ų214156.8 Ų156.893%0.9377%0.773SS**THydrogen-bonded Turntrans-7477166.4-64.2179.1-179.7177.60111.1
251Q47.8Very low45.9Very low158 Ų158158.8 Ų158.874%0.73877%0.774SS**THydrogen-bonded Turntrans-144.9-25.9173.7-117.1163.1-13.800116.3P249 K253P249-Q251 VanDerWaalsContact C-N 3.34Å; P249-Q251 PolarHBondContact O-N 2.94Å; Q251-K253 PolarHBondContact O-N 3.01Å
252H42.9Very low45.9Very low152 Ų152162.9 Ų162.970%0.70477%0.772SS**THydrogen-bonded Turntrans-94.922.8-177.3-86.3-42.5000116.1E255H252-E255 IonicContact CE1-OE2 3.51Å; H252-E255 PolarHBondContact CE1-OE2 2.9Å; H252-E255 VanDerWaalsContact CE1-OE2 3.3Å; H252-E255 IonicContact CG-OE2 3.3Å; H252-E255 IonicContact ND1-OE2 3.98Å; H252-E255 PolarHBondContact ND1-OE2 2.92Å
253K46.9Very low45.7Very low184 Ų184160.5 Ų160.580%0.877%0.77SS**THydrogen-bonded Turntrans-103.2-9.5-178.3-138173.5-173.7176.80115.4Q251Q251-K253 PolarHBondContact O-N 3.01Å
254E49.4Very low45.4Very low161 Ų161164.9 Ų164.975%0.75279%0.79SS**SBendtrans-97.3-44.6178.3-76.7163126.800112.3R256 R257 E258E254-R256 PolarHBondContact O-N 3.13Å; E254-R257 PolarHBondContact O-N 2.99Å; E254-E258 PolarHBondContact O-N 2.86Å
255E47.5Very low45.8Very low118 Ų118165.7 Ų165.755%0.55179%0.79SS**Hα-helixtrans-53.8-32.1175.4-67.4178.5105.900113.9H252 R257H252-E255 IonicContact CE1-OE2 3.51Å; H252-E255 PolarHBondContact CE1-OE2 2.9Å; H252-E255 VanDerWaalsContact CE1-OE2 3.3Å; H252-E255 IonicContact CG-OE2 3.3Å; H252-E255 IonicContact ND1-OE2 3.98Å; H252-E255 PolarHBondContact ND1-OE2 2.92Å; E255-R257 VanDerWaalsContact C-N 3.27Å; E255-R257 PolarHBondContact O-N 2.78Å
256R47.7Very low45.9Very low223 Ų223163.5 Ų163.584%0.84278%0.784SS**Hα-helixtrans-74.2-10.2177.2-90.5-171.3171.3-165.8-1.9114.5E254E254-R256 PolarHBondContact O-N 3.13Å
257R48.9Very low45.7Very low195 Ų195161.7 Ų161.774%0.73678%0.78SS**Hα-helixtrans-94.1-34.8173.2-77-176157.4-165.3-8.9112.4E254 E255 K259 A260E254-R257 PolarHBondContact O-N 2.99Å; E255-R257 VanDerWaalsContact C-N 3.27Å; E255-R257 PolarHBondContact O-N 2.78Å; R257-K259 PolarHBondContact O-N 2.75Å; R257-A260 PolarHBondContact O-N 2.96Å
258E49.9Very low46Very low121 Ų121163.8 Ų163.857%0.56578%0.778SS**Hα-helixtrans-67.6-36.7-176.9-153.8175.6178.800112.5E254 A260 I261 R262E254-E258 PolarHBondContact O-N 2.86Å; E258-A260 PolarHBondContact O-N 2.7Å; E258-I261 PolarHBondContact O-N 3.1Å; E258-R262 IonicContact OE1-NH2 2.72Å
259K53.3Low45.9Very low192 Ų192162.3 Ų162.384%0.83577%0.772SS**THydrogen-bonded Turntrans-71.61.2173.8-76.3-171.8174.8179.60115.6R257R257-K259 PolarHBondContact O-N 2.75Å
260A49.5Very low46.7Very low84 Ų84166.4 Ų166.469%0.69478%0.779SS**THydrogen-bonded Turntrans-103.7-2.6174.200000113.3R257 E258R257-A260 PolarHBondContact O-N 2.96Å; E258-A260 PolarHBondContact O-N 2.7Å
261I52.3Low46.7Very low144 Ų144163 Ų16374%0.73877%0.769SS**THydrogen-bonded Turntrans-118-22.1-170.9-60.5174000112E258E258-I261 PolarHBondContact O-N 3.1Å
262R44.1Very low46.7Very low201 Ų201163.4 Ų163.476%0.75877%0.771SS**SBendtrans-93.7112.1164.8-62.4-173.4-172-177.56.5108.4E258E258-R262 IonicContact OE1-NH2 2.72Å
263G37.7Very low47Very low76 Ų76164.3 Ų164.378%0.78478%0.777SS**  trans-77.9168.4-165.200000116.3
264H36.4Very low47Very low273 Ų273162.5 Ų162.5100%1.26478%0.775SS**  trans-125.20155.3-103.3-57.1000107.6

Retrieved 264 of 264 residues in 151.7 ms (Link to these results)

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