A0A077YXJ9_TRITR Loading...

14-3-3 protein

AlphaFold DB , UniProt , Accession A0A077YXJ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 291 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
1M60.9Low90.9Very high164 Ų16482.1 Ų82.181%0.80839%0.39SS*.  0139.50-94170.4-72.900108E5 D6 Q9M1-E5 WeakPolarHBondContact CA-OE2 3.07Å; M1-E5 HydrophobicContact CB-CB 4.07Å; M1-E5 HydrophobicContact CG-CB 3.89Å; M1-E5 WeakPolarHBondContact CG-OE2 3Å; M1-D6 WeakPolarHBondContact CB-OD1 3.12Å; M1-D6 VanDerWaalsContact SD-OD1 3.42Å; M1-Q9 HydrophobicContact SD-CG 4.45Å
2S85.6Confident91.5Very high57 Ų5778.5 Ų78.540%0.39937%0.372SS..  trans-70.1156.8167.168.50000110K4 E5 D6S2-K4 PolarHBondContact O-N 3.11Å; S2-E5 PolarHBondContact N-OE2 3.01Å; S2-E5 WeakPolarHBondContact O-CB 3.43Å; S2-E5 PolarHBondContact O-N 3.37Å; S2-E5 WeakPolarHBondContact OG-CG 3.32Å; S2-E5 PolarHBondContact OG-N 3.17Å; S2-D6 PolarHBondContact O-N 3.47Å; S2-D6 VanDerWaalsContact O-N 3.11Å
3E89.3Confident92Very high157 Ų15780.7 Ų80.773%0.73439%0.386SS*.Hα-helixtrans-54.6-35.9176.3-176.2175.5-169.800111.8D6 I7E3-D6 PolarHBondContact O-N 3.4Å; E3-I7 HydrophobicContact CG-CD1 4.23Å; E3-I7 VanDerWaalsContact O-CG1 3.29Å; E3-I7 WeakPolarHBondContact O-CG1 3.33Å; E3-I7 PolarHBondContact O-N 3.32Å; E3-I7 VanDerWaalsContact O-N 3.14Å
4K92.8Very high92.5Very high47 Ų4775.7 Ų75.720%0.20437%0.365CS..Hα-helixtrans-60.1-47.3173.9-169.3-169.8-179.4-158.70111.7S2 D6 I7 V8 V30 E41S2-K4 PolarHBondContact O-N 3.11Å; K4-D6 VanDerWaalsContact C-N 3.33Å; K4-D6 PolarHBondContact O-N 3.1Å; K4-I7 PolarHBondContact O-N 3.33Å; K4-V8 WeakPolarHBondContact O-CG2 3.35Å; K4-V8 PolarHBondContact O-N 2.98Å; K4-V30 HydrophobicContact CD-CG1 4.36Å; K4-V30 VanDerWaalsContact CE-CG1 3.47Å; K4-V30 HydrophobicContact CG-CG1 3.96Å; K4-E41 WeakPolarHBondContact CE-OE1 3.47Å; K4-E41 IonicContact NZ-OE1 3.38Å; K4-E41 PolarHBondContact NZ-OE1 3.05Å; K4-E41 IonicContact NZ-OE2 2.8Å; K4-E41 PolarHBondContact NZ-OE2 2.82Å
5E93.2Very high92.8Very high100 Ų10075.3 Ų75.347%0.46736%0.363SS..Hα-helixtrans-62.4-39.9179.8-72.4164-178.200111.8M1 S2 I7 V8 Q9M1-E5 WeakPolarHBondContact CA-OE2 3.07Å; M1-E5 HydrophobicContact CB-CB 4.07Å; M1-E5 HydrophobicContact CG-CB 3.89Å; M1-E5 WeakPolarHBondContact CG-OE2 3Å; S2-E5 PolarHBondContact N-OE2 3.01Å; S2-E5 WeakPolarHBondContact O-CB 3.43Å; S2-E5 PolarHBondContact O-N 3.37Å; S2-E5 WeakPolarHBondContact OG-CG 3.32Å; S2-E5 PolarHBondContact OG-N 3.17Å; E5-I7 VanDerWaalsContact C-N 3.34Å; E5-I7 PolarHBondContact O-N 3.13Å; E5-V8 PolarHBondContact O-N 3.32Å; E5-Q9 WeakPolarHBondContact O-CG 3.46Å; E5-Q9 PolarHBondContact O-N 3.21Å
6D94.6Very high93.1Very high69 Ų6980.3 Ų80.337%0.36939%0.385SS..Hα-helixtrans-63.9-39.7176.8-73.1-14.7000111.5M1 S2 E3 K4 Q9 R10M1-D6 WeakPolarHBondContact CB-OD1 3.12Å; M1-D6 VanDerWaalsContact SD-OD1 3.42Å; S2-D6 PolarHBondContact O-N 3.47Å; S2-D6 VanDerWaalsContact O-N 3.11Å; E3-D6 PolarHBondContact O-N 3.4Å; K4-D6 VanDerWaalsContact C-N 3.33Å; K4-D6 PolarHBondContact O-N 3.1Å; D6-Q9 PolarHBondContact O-N 2.66Å; D6-R10 WeakPolarHBondContact O-CG 3.33Å; D6-R10 PolarHBondContact O-N 3.42Å
7I96.1Very high93.4Very high26 Ų2679.2 Ų79.213%0.13339%0.393CS..Hα-helixtrans-69-41.7177.1-59.8164.2000110.8E3 K4 E5 Q9 R10 A11 A26 K29 V30E3-I7 HydrophobicContact CG-CD1 4.23Å; E3-I7 VanDerWaalsContact O-CG1 3.29Å; E3-I7 WeakPolarHBondContact O-CG1 3.33Å; E3-I7 PolarHBondContact O-N 3.32Å; E3-I7 VanDerWaalsContact O-N 3.14Å; K4-I7 PolarHBondContact O-N 3.33Å; E5-I7 VanDerWaalsContact C-N 3.34Å; E5-I7 PolarHBondContact O-N 3.13Å; I7-Q9 VanDerWaalsContact C-N 3.33Å; I7-Q9 PolarHBondContact O-N 3.07Å; I7-R10 WeakPolarHBondContact O-CB 3.5Å; I7-R10 PolarHBondContact O-N 3.47Å; I7-A11 PolarHBondContact O-N 3.14Å; I7-A26 HydrophobicContact CG2-CB 3.83Å; I7-A26 VanDerWaalsContact CG2-O 3.23Å; I7-A26 WeakPolarHBondContact CG2-O 3.36Å; I7-K29 HydrophobicContact CD1-CB 4.44Å; I7-V30 HydrophobicContact CB-CG2 3.83Å; I7-V30 HydrophobicContact CG2-CG2 3.49Å; I7-V30 VanDerWaalsContact CG2-CG2 3.49Å
8V96.7Very high93.6Very high11 Ų1182.9 Ų82.97%0.06741%0.409CS..Hα-helixtrans-62.6-40.9175.7172.20000110.9K4 E5 R10 A11 K12 V30 E41 L44K4-V8 WeakPolarHBondContact O-CG2 3.35Å; K4-V8 PolarHBondContact O-N 2.98Å; E5-V8 PolarHBondContact O-N 3.32Å; V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.24Å; V8-A11 WeakPolarHBondContact O-CB 3.29Å; V8-A11 PolarHBondContact O-N 3.48Å; V8-K12 WeakPolarHBondContact O-CG 3.36Å; V8-K12 PolarHBondContact O-N 3.24Å; V8-V30 HydrophobicContact CG2-CG1 4.12Å; V8-V30 HydrophobicContact CG2-CG2 3.87Å; V8-E41 HydrophobicContact CG2-CG 4.15Å; V8-L44 HydrophobicContact CG1-CD1 4.03Å
9Q96.8Very high93.9Very high95 Ų9586.1 Ų86.144%0.44442%0.416SS..Hα-helixtrans-63-39.5174.6-76.6-63.1-1200112.3M1 E5 D6 I7 A11 K12 L13M1-Q9 HydrophobicContact SD-CG 4.45Å; E5-Q9 WeakPolarHBondContact O-CG 3.46Å; E5-Q9 PolarHBondContact O-N 3.21Å; D6-Q9 PolarHBondContact O-N 2.66Å; I7-Q9 VanDerWaalsContact C-N 3.33Å; I7-Q9 PolarHBondContact O-N 3.07Å; Q9-A11 VanDerWaalsContact C-N 3.33Å; Q9-A11 PolarHBondContact O-N 3.21Å; Q9-K12 PolarHBondContact O-N 3.23Å; Q9-L13 WeakPolarHBondContact O-CG 3.25Å; Q9-L13 PolarHBondContact O-N 3.4Å
10R96.6Very high94.1Very high177 Ų17784.7 Ų84.767%0.66841%0.406SS*.Hα-helixtrans-62.9-38.8172.7-72.5175.3-176.2-176.53.7112.4D6 I7 V8 K12 L13 A14D6-R10 WeakPolarHBondContact O-CG 3.33Å; D6-R10 PolarHBondContact O-N 3.42Å; I7-R10 WeakPolarHBondContact O-CB 3.5Å; I7-R10 PolarHBondContact O-N 3.47Å; V8-R10 VanDerWaalsContact C-N 3.34Å; V8-R10 PolarHBondContact O-N 3.24Å; R10-K12 VanDerWaalsContact C-N 3.34Å; R10-L13 PolarHBondContact O-N 3.2Å; R10-A14 WeakPolarHBondContact O-CB 3.1Å; R10-A14 PolarHBondContact O-N 3.37Å
11A97.9Very high94.2Very high0 Ų084.5 Ų84.50%041%0.407CS..Hα-helixtrans-62-42.1175.400000111.5I7 V8 Q9 L13 A14 E15 M23 A26 M27I7-A11 PolarHBondContact O-N 3.14Å; V8-A11 WeakPolarHBondContact O-CB 3.29Å; V8-A11 PolarHBondContact O-N 3.48Å; Q9-A11 VanDerWaalsContact C-N 3.33Å; Q9-A11 PolarHBondContact O-N 3.21Å; A11-L13 PolarHBondContact O-N 3.13Å; A11-A14 WeakPolarHBondContact O-CB 3.33Å; A11-A14 PolarHBondContact O-N 3.33Å; A11-E15 PolarHBondContact O-N 3.45Å; A11-M23 HydrophobicContact CB-CG 4.19Å; A11-A26 HydrophobicContact CB-CB 3.99Å; A11-M27 HydrophobicContact CB-CG 3.95Å; A11-M27 HydrophobicContact CB-SD 3.62Å
12K97.9Very high96Very high39 Ų3979.9 Ų79.917%0.1739%0.386CS..Hα-helixtrans-63.1-39.4175-68.9176.9175.7-173.90112.7V8 Q9 R10 E15 Q16 E40 L44V8-K12 WeakPolarHBondContact O-CG 3.36Å; V8-K12 PolarHBondContact O-N 3.24Å; Q9-K12 PolarHBondContact O-N 3.23Å; R10-K12 VanDerWaalsContact C-N 3.34Å; K12-E15 PolarHBondContact O-N 3.4Å; K12-Q16 WeakPolarHBondContact O-CG 3.3Å; K12-Q16 PolarHBondContact O-N 2.95Å; K12-Q16 VanDerWaalsContact O-N 3.14Å; K12-E40 WeakPolarHBondContact CE-OE1 3.48Å; K12-E40 IonicContact NZ-OE1 3.9Å; K12-E40 PolarHBondContact NZ-OE1 2.89Å; K12-E40 IonicContact NZ-OE2 2.64Å; K12-E40 PolarHBondContact NZ-OE2 3.35Å; K12-L44 HydrophobicContact CG-CD1 4.06Å; K12-L44 HydrophobicContact CG-CD2 4.26Å
13L98.2Very high96.6Very high107 Ų10777.1 Ų77.156%0.5637%0.367SS*.Hα-helixtrans-66.7-39.8173.6-68.3172.7000111.8Q9 R10 A11 E15 Q16 A17Q9-L13 WeakPolarHBondContact O-CG 3.25Å; Q9-L13 PolarHBondContact O-N 3.4Å; R10-L13 PolarHBondContact O-N 3.2Å; A11-L13 PolarHBondContact O-N 3.13Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-Q16 PolarHBondContact O-N 2.73Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.22Å
14A98.2Very high96.9Very high11 Ų1170 Ų709%0.09134%0.335CS..Hα-helixtrans-64.8-37.8176.500000112R10 A11 A17 E18 R19 D22 M23R10-A14 WeakPolarHBondContact O-CB 3.1Å; R10-A14 PolarHBondContact O-N 3.37Å; A11-A14 WeakPolarHBondContact O-CB 3.33Å; A11-A14 PolarHBondContact O-N 3.33Å; A14-A17 CarbonylContact O-C 3.51Å; A14-A17 PolarHBondContact O-N 2.88Å; A14-E18 PolarHBondContact O-N 3.4Å; A14-E18 VanDerWaalsContact O-N 3.11Å; A14-R19 PolarHBondContact O-N 2.8Å; A14-D22 HydrophobicContact CB-CB 4.14Å; A14-M23 HydrophobicContact CB-CB 3.88Å
15E98Very high97.1Very high70 Ų7070.2 Ų70.233%0.32735%0.345SS..Hα-helixtrans-59.7-49.9172.2-176179.6-151.100111.6A11 K12 L13 A17 E18 M23 L44A11-E15 PolarHBondContact O-N 3.45Å; K12-E15 PolarHBondContact O-N 3.4Å; L13-E15 VanDerWaalsContact C-N 3.34Å; E15-A17 PolarHBondContact O-N 3.14Å; E15-E18 PolarHBondContact O-N 2.95Å; E15-M23 HydrophobicContact CB-CE 3.84Å; E15-M23 HydrophobicContact CB-SD 3.81Å; E15-M23 HydrophobicContact CG-CE 4.06Å; E15-M23 HydrophobicContact CG-SD 4.22Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.35Å
16Q97.4Very high97.3Very high155 Ų15566 Ų6672%0.72433%0.328SS*.Hα-helixtrans-63.3-27178.3-70.117533.100113.3K12 L13 E18K12-Q16 WeakPolarHBondContact O-CG 3.3Å; K12-Q16 PolarHBondContact O-N 2.95Å; K12-Q16 VanDerWaalsContact O-N 3.14Å; L13-Q16 PolarHBondContact O-N 2.73Å; Q16-E18 VanDerWaalsContact C-N 3.34Å
17A97.8Very high97.4Very high62 Ų6262.8 Ų62.851%0.51231%0.31SS..THydrogen-bonded Turntrans-90.94.6175.500000113.3L13 A14 E15 R19L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.22Å; A14-A17 CarbonylContact O-C 3.51Å; A14-A17 PolarHBondContact O-N 2.88Å; E15-A17 PolarHBondContact O-N 3.14Å; A17-R19 HydrophobicContact CB-CG 4.2Å; A17-R19 PolarHBondContact O-N 3.44Å; A17-R19 VanDerWaalsContact O-N 3.08Å
18E97.4Very high97.4Very high146 Ų14663.9 Ų63.968%0.68231%0.314SS*.THydrogen-bonded Turntrans5425.3-175.6-58.4-177.2-162.600113.9A14 E15 Q16 Y20A14-E18 PolarHBondContact O-N 3.4Å; A14-E18 VanDerWaalsContact O-N 3.11Å; E15-E18 PolarHBondContact O-N 2.95Å; Q16-E18 VanDerWaalsContact C-N 3.34Å; E18-Y20 VanDerWaalsContact C-N 3.34Å; E18-Y20 HydrophobicContact CB-CE2 3.95Å; E18-Y20 WeakPolarHBondContact O-CD2 3.38Å; E18-Y20 PolarHBondContact O-N 3.38Å
19R98.2Very high97.2Very high142 Ų14269.4 Ų69.454%0.53634%0.338SS..  trans-91.968.9177.2-64.9-159.768.7-148.9-11.3110.2A14 A17 D21 D22 M23A14-R19 PolarHBondContact O-N 2.8Å; A17-R19 HydrophobicContact CB-CG 4.2Å; A17-R19 PolarHBondContact O-N 3.44Å; A17-R19 VanDerWaalsContact O-N 3.08Å; R19-D21 VanDerWaalsContact C-N 3.3Å; R19-D21 PolarHBondContact O-N 2.74Å; R19-D22 HydrophobicContact CB-CB 4.25Å; R19-D22 IonicContact CZ-OD1 3.14Å; R19-D22 IonicContact CZ-OD2 2.77Å; R19-D22 IonicContact NE-OD2 3.88Å; R19-D22 IonicContact NH1-OD2 2.74Å; R19-D22 PolarHBondContact NH1-OD2 3.16Å; R19-D22 VanDerWaalsContact NH2-CG 3.33Å; R19-D22 IonicContact NH2-OD1 2.69Å; R19-D22 PolarHBondContact NH2-OD1 3.09Å; R19-D22 IonicContact NH2-OD2 3.24Å; R19-D22 PolarHBondContact NH2-OD2 3.21Å; R19-D22 WeakPolarHBondContact O-CB 3.41Å; R19-D22 PolarHBondContact O-N 3.48Å; R19-D22 VanDerWaalsContact O-N 3.1Å; R19-M23 PolarHBondContact O-N 3.26Å
20Y97.9Very high97.2Very high59 Ų5964.9 Ų64.923%0.23132%0.316CS..Hα-helixtrans-64.1-29-172.9-58-71.5000114.4E18 M23 A24 N51 V52E18-Y20 VanDerWaalsContact C-N 3.34Å; E18-Y20 HydrophobicContact CB-CE2 3.95Å; E18-Y20 WeakPolarHBondContact O-CD2 3.38Å; E18-Y20 PolarHBondContact O-N 3.38Å; Y20-M23 HydrophobicContact CD1-SD 4.13Å; Y20-M23 WeakPolarHBondContact O-CB 3.01Å; Y20-M23 PolarHBondContact O-N 3.05Å; Y20-A24 WeakPolarHBondContact O-CB 3.44Å; Y20-A24 PolarHBondContact O-N 3.46Å; Y20-N51 HydrophobicContact CD1-CB 3.52Å; Y20-N51 HydrophobicContact CD2-CB 3.63Å; Y20-N51 HydrophobicContact CE1-CB 3.9Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.44Å; Y20-N51 HydrophobicContact CE2-CB 4Å; Y20-N51 HydrophobicContact CG-CB 3.36Å; Y20-V52 VanDerWaalsContact O-CG2 3.29Å; Y20-V52 WeakPolarHBondContact O-CG2 3.42Å
21D97.4Very high97.1Very high80 Ų8056.5 Ų56.543%0.42829%0.285SS..Hα-helixtrans-63.4-42173.1-68.5-89.4000111.5R19 A24 A25 R56R19-D21 VanDerWaalsContact C-N 3.3Å; R19-D21 PolarHBondContact O-N 2.74Å; D21-A24 PolarHBondContact O-N 2.95Å; D21-A25 PolarHBondContact O-N 3.17Å; D21-R56 IonicContact OD1-CZ 2.61Å; D21-R56 IonicContact OD1-NH1 3.54Å; D21-R56 PolarHBondContact OD1-NH1 3.06Å; D21-R56 IonicContact OD1-NH2 3.7Å; D21-R56 PolarHBondContact OD1-NH2 3.21Å; D21-R56 IonicContact OD2-CZ 3.93Å; D21-R56 IonicContact OD2-NH1 3.13Å; D21-R56 PolarHBondContact OD2-NH1 3.09Å; D21-R56 IonicContact OD2-NH2 2.93Å
22D97.9Very high96.8Very high67 Ų6760.6 Ų60.636%0.35830%0.304SS..Hα-helixtrans-67.9-39.8175.7-69.410.8000110.9A14 R19 A25 A26A14-D22 HydrophobicContact CB-CB 4.14Å; R19-D22 HydrophobicContact CB-CB 4.25Å; R19-D22 IonicContact CZ-OD1 3.14Å; R19-D22 IonicContact CZ-OD2 2.77Å; R19-D22 IonicContact NE-OD2 3.88Å; R19-D22 IonicContact NH1-OD2 2.74Å; R19-D22 PolarHBondContact NH1-OD2 3.16Å; R19-D22 VanDerWaalsContact NH2-CG 3.33Å; R19-D22 IonicContact NH2-OD1 2.69Å; R19-D22 PolarHBondContact NH2-OD1 3.09Å; R19-D22 IonicContact NH2-OD2 3.24Å; R19-D22 PolarHBondContact NH2-OD2 3.21Å; R19-D22 WeakPolarHBondContact O-CB 3.41Å; R19-D22 PolarHBondContact O-N 3.48Å; R19-D22 VanDerWaalsContact O-N 3.1Å; D22-A25 PolarHBondContact O-N 3.1Å; D22-A26 WeakPolarHBondContact O-CB 3.14Å; D22-A26 PolarHBondContact O-N 3.2Å
23M97.9Very high96.4Very high0 Ų062.7 Ų62.70%032%0.32CS..Hα-helixtrans-60.6-45.1175.5-168.4-169-17900111.2A11 A14 E15 R19 Y20 A26 M27 L44 V47 A48A11-M23 HydrophobicContact CB-CG 4.19Å; A14-M23 HydrophobicContact CB-CB 3.88Å; E15-M23 HydrophobicContact CB-CE 3.84Å; E15-M23 HydrophobicContact CB-SD 3.81Å; E15-M23 HydrophobicContact CG-CE 4.06Å; E15-M23 HydrophobicContact CG-SD 4.22Å; R19-M23 PolarHBondContact O-N 3.26Å; Y20-M23 HydrophobicContact CD1-SD 4.13Å; Y20-M23 WeakPolarHBondContact O-CB 3.01Å; Y20-M23 PolarHBondContact O-N 3.05Å; M23-A26 PolarHBondContact O-N 3.01Å; M23-M27 WeakPolarHBondContact O-CB 3.22Å; M23-M27 WeakPolarHBondContact O-CG 3.35Å; M23-M27 PolarHBondContact O-N 3.47Å; M23-L44 HydrophobicContact CE-CB 3.97Å; M23-L44 HydrophobicContact CE-CD2 3.47Å; M23-L44 VanDerWaalsContact CE-CD2 3.47Å; M23-L44 HydrophobicContact CE-CG 4.34Å; M23-L44 VanDerWaalsContact CE-O 3.3Å; M23-L44 WeakPolarHBondContact CE-O 3.36Å; M23-V47 HydrophobicContact CE-CB 4.25Å; M23-V47 HydrophobicContact CE-CG1 4.12Å; M23-V47 HydrophobicContact SD-CG1 4.37Å; M23-A48 HydrophobicContact CB-CB 3.99Å; M23-A48 HydrophobicContact CE-CB 4.23Å; M23-A48 HydrophobicContact CG-CB 3.62Å; M23-A48 HydrophobicContact SD-CB 3.61Å
24A97Very high95.9Very high7 Ų758.7 Ų58.76%0.05830%0.304CS..Hα-helixtrans-65.1-43.817900000111.1Y20 D21 A26 M27 K28 A48 Y49 V52Y20-A24 WeakPolarHBondContact O-CB 3.44Å; Y20-A24 PolarHBondContact O-N 3.46Å; D21-A24 PolarHBondContact O-N 2.95Å; A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 3.28Å; A24-M27 PolarHBondContact O-N 3.48Å; A24-K28 VanDerWaalsContact O-CB 3.27Å; A24-K28 WeakPolarHBondContact O-CB 3.47Å; A24-K28 PolarHBondContact O-N 3.33Å; A24-A48 HydrophobicContact CB-CB 4.06Å; A24-Y49 HydrophobicContact CB-CD1 4.45Å; A24-Y49 HydrophobicContact CB-CD2 4.2Å; A24-Y49 HydrophobicContact CB-CE1 4.38Å; A24-Y49 HydrophobicContact CB-CE2 4.11Å; A24-Y49 HydrophobicContact CB-CG 4.36Å; A24-V52 HydrophobicContact CB-CG2 4.11Å
25A96.5Very high95.4Very high51 Ų5160.1 Ų60.142%0.42132%0.317SS..Hα-helixtrans-62.5-37.617600000112.8D21 D22 K29D21-A25 PolarHBondContact O-N 3.17Å; D22-A25 PolarHBondContact O-N 3.1Å; A25-K29 WeakPolarHBondContact O-CG 3.47Å; A25-K29 PolarHBondContact O-N 3.02Å
26A97.1Very high95Very high13 Ų1360.6 Ų60.611%0.10732%0.319CS..Hα-helixtrans-67.2-49.5174.600000111.4I7 A11 D22 M23 A24 K28 K29 V30I7-A26 HydrophobicContact CG2-CB 3.83Å; I7-A26 VanDerWaalsContact CG2-O 3.23Å; I7-A26 WeakPolarHBondContact CG2-O 3.36Å; A11-A26 HydrophobicContact CB-CB 3.99Å; D22-A26 WeakPolarHBondContact O-CB 3.14Å; D22-A26 PolarHBondContact O-N 3.2Å; M23-A26 PolarHBondContact O-N 3.01Å; A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 3.28Å; A26-K28 VanDerWaalsContact C-N 3.32Å; A26-K28 PolarHBondContact O-N 3.18Å; A26-K29 WeakPolarHBondContact O-CB 3.38Å; A26-K29 PolarHBondContact O-N 2.64Å; A26-V30 PolarHBondContact O-N 3.37Å; A26-V30 VanDerWaalsContact O-N 3.13Å
27M97Very high94.8Very high0 Ų053.4 Ų53.40%029%0.285CS..Hα-helixtrans-66.5-33.6-179.2-68.6-52.4-53.600112.7A11 M23 A24 K29 V30 T31 E41 L44 L45A11-M27 HydrophobicContact CB-CG 3.95Å; A11-M27 HydrophobicContact CB-SD 3.62Å; M23-M27 WeakPolarHBondContact O-CB 3.22Å; M23-M27 WeakPolarHBondContact O-CG 3.35Å; M23-M27 PolarHBondContact O-N 3.47Å; A24-M27 PolarHBondContact O-N 3.48Å; M27-K29 PolarHBondContact O-N 3.21Å; M27-V30 HydrophobicContact CE-CB 4.38Å; M27-V30 HydrophobicContact CE-CG1 4.39Å; M27-V30 WeakPolarHBondContact O-CB 3.43Å; M27-V30 PolarHBondContact O-N 3.42Å; M27-T31 PolarHBondContact O-N 2.97Å; M27-T31 PolarHBondContact O-OG1 3.41Å; M27-T31 VanDerWaalsContact O-OG1 3.07Å; M27-E41 HydrophobicContact CE-CB 4.19Å; M27-E41 WeakPolarHBondContact CE-O 3.39Å; M27-L44 HydrophobicContact CE-CB 4.03Å; M27-L44 HydrophobicContact CG-CB 4.26Å; M27-L44 HydrophobicContact SD-CB 3.86Å; M27-L44 HydrophobicContact SD-CD1 4.38Å; M27-L45 HydrophobicContact CB-CB 4.29Å; M27-L45 HydrophobicContact CB-CD1 3.66Å; M27-L45 HydrophobicContact CE-CB 4.21Å
28K95Very high94.7Very high49 Ų4953.8 Ų53.821%0.21328%0.281CS..Hα-helixtrans-54.6-50.4170.4-174.4175.2-168.1174.30111.1A24 A26 V30 T31 E32 D97 L142A24-K28 VanDerWaalsContact O-CB 3.27Å; A24-K28 WeakPolarHBondContact O-CB 3.47Å; A24-K28 PolarHBondContact O-N 3.33Å; A26-K28 VanDerWaalsContact C-N 3.32Å; A26-K28 PolarHBondContact O-N 3.18Å; K28-V30 VanDerWaalsContact C-N 3.32Å; K28-V30 PolarHBondContact O-N 2.82Å; K28-T31 WeakPolarHBondContact O-CB 3.41Å; K28-T31 PolarHBondContact O-N 2.92Å; K28-T31 VanDerWaalsContact O-N 3.14Å; K28-E32 WeakPolarHBondContact CE-OE1 3.13Å; K28-E32 HydrophobicContact CG-CG 4.44Å; K28-E32 WeakPolarHBondContact O-CB 3.23Å; K28-E32 WeakPolarHBondContact O-CG 3.47Å; K28-E32 PolarHBondContact O-N 3.07Å; K28-D97 IonicContact NZ-OD1 2.82Å; K28-D97 PolarHBondContact NZ-OD1 2.94Å; K28-D97 IonicContact NZ-OD2 3.21Å; K28-D97 PolarHBondContact NZ-OD2 3.47Å; K28-L142 HydrophobicContact CB-CD1 4.48Å; K28-L142 HydrophobicContact CG-CD1 4.15Å; K28-L142 HydrophobicContact CG-CD2 4.05Å
29K94.1Very high94.3Very high128 Ų12852 Ų5256%0.55728%0.276SS*.Hα-helixtrans-60.4-40.4177.4-69.2174.7-178.3-178.30112.5I7 A25 A26 M27 T31 E32 T33I7-K29 HydrophobicContact CD1-CB 4.44Å; A25-K29 WeakPolarHBondContact O-CG 3.47Å; A25-K29 PolarHBondContact O-N 3.02Å; A26-K29 WeakPolarHBondContact O-CB 3.38Å; A26-K29 PolarHBondContact O-N 2.64Å; M27-K29 PolarHBondContact O-N 3.21Å; K29-T31 VanDerWaalsContact C-N 3.34Å; K29-E32 PolarHBondContact O-N 3.47Å; K29-T33 VanDerWaalsContact O-CG2 3.25Å; K29-T33 WeakPolarHBondContact O-CG2 3.43Å; K29-T33 PolarHBondContact O-N 3.19Å
30V95.1Very high94.1Very high0 Ų050.4 Ų50.40%028%0.275CS..Hα-helixtrans-62.8-42176.2175.10000111K4 I7 V8 A26 M27 K28 T33 L37K4-V30 HydrophobicContact CD-CG1 4.36Å; K4-V30 VanDerWaalsContact CE-CG1 3.47Å; K4-V30 HydrophobicContact CG-CG1 3.96Å; I7-V30 HydrophobicContact CB-CG2 3.83Å; I7-V30 HydrophobicContact CG2-CG2 3.49Å; I7-V30 VanDerWaalsContact CG2-CG2 3.49Å; V8-V30 HydrophobicContact CG2-CG1 4.12Å; V8-V30 HydrophobicContact CG2-CG2 3.87Å; A26-V30 PolarHBondContact O-N 3.37Å; A26-V30 VanDerWaalsContact O-N 3.13Å; M27-V30 HydrophobicContact CE-CB 4.38Å; M27-V30 HydrophobicContact CE-CG1 4.39Å; M27-V30 WeakPolarHBondContact O-CB 3.43Å; M27-V30 PolarHBondContact O-N 3.42Å; K28-V30 VanDerWaalsContact C-N 3.32Å; K28-V30 PolarHBondContact O-N 2.82Å; V30-T33 PolarHBondContact O-OG1 3.2Å; V30-T33 VanDerWaalsContact O-OG1 3.1Å; V30-L37 HydrophobicContact CG1-CD2 3.88Å
31T94.4Very high94Very high1 Ų148.5 Ų48.51%0.00627%0.268CS..Hα-helixtrans-67.3-40.6177.3-59.50000112M27 K28 K29 T33 G34 L142 Y146 L147M27-T31 PolarHBondContact O-N 2.97Å; M27-T31 PolarHBondContact O-OG1 3.41Å; M27-T31 VanDerWaalsContact O-OG1 3.07Å; K28-T31 WeakPolarHBondContact O-CB 3.41Å; K28-T31 PolarHBondContact O-N 2.92Å; K28-T31 VanDerWaalsContact O-N 3.14Å; K29-T31 VanDerWaalsContact C-N 3.34Å; T31-T33 PolarHBondContact O-N 3.33Å; T31-G34 PolarHBondContact O-N 3.24Å; T31-L142 HydrophobicContact CG2-CB 4.29Å; T31-L142 HydrophobicContact CG2-CD2 3.71Å; T31-L142 HydrophobicContact CG2-CG 4.5Å; T31-Y146 HydrophobicContact CG2-CG 4.18Å; T31-Y146 WeakPolarHBondContact O-CD1 3.44Å; T31-L147 HydrophobicContact CG2-CD1 4.17Å; T31-L147 HydrophobicContact CG2-CD2 3.68Å; T31-L147 HydrophobicContact CG2-CG 3.84Å
32E91.8Very high93.9Very high86 Ų8645.2 Ų45.240%0.40225%0.25SC..Hα-helixtrans-67.8-15.9-178.7-74172.216800113.8K28 K29 G34 L142 Y146K28-E32 WeakPolarHBondContact CE-OE1 3.13Å; K28-E32 HydrophobicContact CG-CG 4.44Å; K28-E32 WeakPolarHBondContact O-CB 3.23Å; K28-E32 WeakPolarHBondContact O-CG 3.47Å; K28-E32 PolarHBondContact O-N 3.07Å; K29-E32 PolarHBondContact O-N 3.47Å; E32-G34 PolarHBondContact O-N 2.82Å; E32-L142 HydrophobicContact CG-CD2 4.03Å; E32-Y146 HydrophobicContact CB-CE1 4.45Å; E32-Y146 HydrophobicContact CG-CE2 4.06Å; E32-Y146 VanDerWaalsContact O-CE1 3.3Å; E32-Y146 WeakPolarHBondContact O-CE1 3.44Å
33T90.3Very high93.6Very high83 Ų8346.1 Ų46.151%0.50926%0.255SS..THydrogen-bonded Turntrans-65.8-16.9170.181.70000112.3K29 V30 T31 A35K29-T33 VanDerWaalsContact O-CG2 3.25Å; K29-T33 WeakPolarHBondContact O-CG2 3.43Å; K29-T33 PolarHBondContact O-N 3.19Å; V30-T33 PolarHBondContact O-OG1 3.2Å; V30-T33 VanDerWaalsContact O-OG1 3.1Å; T31-T33 PolarHBondContact O-N 3.33Å; T33-A35 VanDerWaalsContact C-N 3.32Å; T33-A35 PolarHBondContact O-N 2.91Å
34G87.1Confident93.5Very high22 Ų2246.6 Ų46.623%0.22726%0.257CS..  trans74.314.5176.800000115.2T31 E32 K150T31-G34 PolarHBondContact O-N 3.24Å; E32-G34 PolarHBondContact O-N 2.82Å; G34-K150 VanDerWaalsContact C-NZ 3.29Å; G34-K150 WeakPolarHBondContact O-CD 3.27Å; G34-K150 WeakPolarHBondContact O-CE 3.41Å; G34-K150 PolarHBondContact O-NZ 3.45Å
35A89.1Confident93.5Very high42 Ų4246.4 Ų46.435%0.34726%0.255SS..PPolyproline II helixtrans-77151164.900000110.2T33 L37T33-A35 VanDerWaalsContact C-N 3.32Å; T33-A35 PolarHBondContact O-N 2.91Å; A35-L37 PolarHBondContact O-N 2.78Å
36E89.6Confident93.4Very high80 Ų8045.6 Ų45.637%0.37425%0.246SC..PPolyproline II helixtrans-62.5134168.3-171176.8-16800109.2K150 T152E36-K150 VanDerWaalsContact CD-O 3.31Å; E36-K150 VanDerWaalsContact OE1-O 3.12Å; E36-T152 PolarHBondContact OE1-N 2.86Å; E36-T152 PolarHBondContact OE1-OG1 2.95Å
37L93Very high93.3Very high4 Ų447 Ų472%0.02125%0.254CS..PPolyproline II helixtrans-78.1135.6178.1-61.6-172.3000110.7V30 A35 E41 R42 L45 L147V30-L37 HydrophobicContact CG1-CD2 3.88Å; A35-L37 PolarHBondContact O-N 2.78Å; L37-E41 WeakPolarHBondContact CA-OE2 3.3Å; L37-E41 HydrophobicContact CB-CB 4Å; L37-E41 HydrophobicContact CD2-CB 4.19Å; L37-E41 HydrophobicContact CG-CB 4.49Å; L37-R42 HydrophobicContact CB-CB 4.45Å; L37-L45 HydrophobicContact CD1-CB 4.49Å; L37-L45 HydrophobicContact CD1-CD2 4Å; L37-L147 HydrophobicContact CD1-CD2 3.62Å; L37-L147 HydrophobicContact CG-CD2 3.9Å
38T94.2Very high93.3Very high70 Ų7047 Ų4743%0.42925%0.254SS..PPolyproline II helixtrans-64.2165.3168.371.80000110.5E40 E41 R42T38-E40 PolarHBondContact O-N 3.31Å; T38-E41 PolarHBondContact N-OE2 3.24Å; T38-E41 PolarHBondContact O-N 3.31Å; T38-E41 VanDerWaalsContact OG1-CG 3.3Å; T38-E41 WeakPolarHBondContact OG1-CG 3.17Å; T38-E41 PolarHBondContact OG1-N 3.14Å; T38-R42 WeakPolarHBondContact O-CB 3.2Å; T38-R42 PolarHBondContact O-N 3.31Å
39N89.9Confident93.4Very high108 Ų10845 Ų4558%0.57825%0.245SC*.Hα-helixtrans-58.4-38.3176.3-72-22.8000112.2R42 N43N39-R42 PolarHBondContact OD1-NH1 3Å; N39-R42 PolarHBondContact OD1-NH2 3.44Å; N39-N43 WeakPolarHBondContact O-CB 3.47Å; N39-N43 VanDerWaalsContact O-CG 3.22Å; N39-N43 PolarHBondContact O-N 3.2Å; N39-N43 PolarHBondContact O-ND2 3.12Å
40E93.8Very high93.4Very high108 Ų10844.5 Ų44.551%0.50524%0.243SC..Hα-helixtrans-65.8-48.1176.4-171.2-177.5-160.800111.3K12 T38 R42 N43 L44K12-E40 WeakPolarHBondContact CE-OE1 3.48Å; K12-E40 IonicContact NZ-OE1 3.9Å; K12-E40 PolarHBondContact NZ-OE1 2.89Å; K12-E40 IonicContact NZ-OE2 2.64Å; K12-E40 PolarHBondContact NZ-OE2 3.35Å; T38-E40 PolarHBondContact O-N 3.31Å; E40-R42 VanDerWaalsContact C-N 3.32Å; E40-R42 PolarHBondContact O-N 3.32Å; E40-N43 PolarHBondContact O-N 3.25Å; E40-L44 HydrophobicContact CG-CD1 4.45Å; E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 3.14Å
41E95.8Very high93.5Very high20 Ų2046.7 Ų46.79%0.09325%0.254CS..Hα-helixtrans-62-39.7178.3-69.4167.4169.400112K4 V8 M27 L37 T38 L44 L45K4-E41 WeakPolarHBondContact CE-OE1 3.47Å; K4-E41 IonicContact NZ-OE1 3.38Å; K4-E41 PolarHBondContact NZ-OE1 3.05Å; K4-E41 IonicContact NZ-OE2 2.8Å; K4-E41 PolarHBondContact NZ-OE2 2.82Å; V8-E41 HydrophobicContact CG2-CG 4.15Å; M27-E41 HydrophobicContact CE-CB 4.19Å; M27-E41 WeakPolarHBondContact CE-O 3.39Å; L37-E41 WeakPolarHBondContact CA-OE2 3.3Å; L37-E41 HydrophobicContact CB-CB 4Å; L37-E41 HydrophobicContact CD2-CB 4.19Å; L37-E41 HydrophobicContact CG-CB 4.49Å; T38-E41 PolarHBondContact N-OE2 3.24Å; T38-E41 PolarHBondContact O-N 3.31Å; T38-E41 VanDerWaalsContact OG1-CG 3.3Å; T38-E41 WeakPolarHBondContact OG1-CG 3.17Å; T38-E41 PolarHBondContact OG1-N 3.14Å; E41-L44 PolarHBondContact O-N 2.8Å; E41-L45 PolarHBondContact O-N 3.1Å
42R94.5Very high93.7Very high10 Ų1047 Ų474%0.03826%0.256CS..Hα-helixtrans-62.6-43.5175.5-172.8-175.4-47.7140.411.8111.8L37 T38 N39 E40 L45 S46 S156 F159 Y160L37-R42 HydrophobicContact CB-CB 4.45Å; T38-R42 WeakPolarHBondContact O-CB 3.2Å; T38-R42 PolarHBondContact O-N 3.31Å; N39-R42 PolarHBondContact OD1-NH1 3Å; N39-R42 PolarHBondContact OD1-NH2 3.44Å; E40-R42 VanDerWaalsContact C-N 3.32Å; E40-R42 PolarHBondContact O-N 3.32Å; R42-L45 PolarHBondContact O-N 2.73Å; R42-S46 PolarHBondContact O-N 3.18Å; R42-S156 VanDerWaalsContact NH2-CB 3.33Å; R42-F159 HydrophobicContact CG-CD1 3.66Å; R42-F159 HydrophobicContact CG-CE1 3.39Å; R42-F159 HydrophobicContact CG-CE2 4.45Å; R42-F159 HydrophobicContact CG-CG 4.31Å; R42-F159 HydrophobicContact CG-CZ 3.8Å; R42-Y160 HydrophobicContact CG-CE1 3.66Å; R42-Y160 PolarHBondContact NE-OH 3.27Å
43N92Very high93.9Very high87 Ų8742.9 Ų42.947%0.46524%0.237SC..Hα-helixtrans-63.8-43.9176.1-73.9-16.8000111N39 E40 L45 S46 V47N39-N43 WeakPolarHBondContact O-CB 3.47Å; N39-N43 VanDerWaalsContact O-CG 3.22Å; N39-N43 PolarHBondContact O-N 3.2Å; N39-N43 PolarHBondContact O-ND2 3.12Å; E40-N43 PolarHBondContact O-N 3.25Å; N43-L45 PolarHBondContact O-N 3.05Å; N43-S46 PolarHBondContact O-N 3.17Å; N43-V47 WeakPolarHBondContact O-CB 3.41Å; N43-V47 VanDerWaalsContact O-CG2 3.3Å; N43-V47 WeakPolarHBondContact O-CG2 3.02Å; N43-V47 PolarHBondContact O-N 3.18Å
44L97.1Very high94.1Very high10 Ų1040.3 Ų40.35%0.05223%0.226CC..Hα-helixtrans-58.6-46.4175.2-71.1170.3000111.9V8 K12 E15 M23 M27 E40 E41 S46 V47 A48V8-L44 HydrophobicContact CG1-CD1 4.03Å; K12-L44 HydrophobicContact CG-CD1 4.06Å; K12-L44 HydrophobicContact CG-CD2 4.26Å; E15-L44 WeakPolarHBondContact OE2-CD2 3.35Å; M23-L44 HydrophobicContact CE-CB 3.97Å; M23-L44 HydrophobicContact CE-CD2 3.47Å; M23-L44 VanDerWaalsContact CE-CD2 3.47Å; M23-L44 HydrophobicContact CE-CG 4.34Å; M23-L44 VanDerWaalsContact CE-O 3.3Å; M23-L44 WeakPolarHBondContact CE-O 3.36Å; M27-L44 HydrophobicContact CE-CB 4.03Å; M27-L44 HydrophobicContact CG-CB 4.26Å; M27-L44 HydrophobicContact SD-CB 3.86Å; M27-L44 HydrophobicContact SD-CD1 4.38Å; E40-L44 HydrophobicContact CG-CD1 4.45Å; E40-L44 WeakPolarHBondContact O-CG 3.33Å; E40-L44 PolarHBondContact O-N 3.14Å; E41-L44 PolarHBondContact O-N 2.8Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 3.31Å; L44-V47 PolarHBondContact O-N 3Å; L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.49Å; L44-A48 PolarHBondContact O-N 3.47Å
45L96.1Very high94.6Very high2 Ų241.5 Ų41.51%0.0124%0.235CC..Hα-helixtrans-58.1-46.2176.7179.872.2000111.4M27 L37 E41 R42 N43 A48 Y49 L142 L147M27-L45 HydrophobicContact CB-CB 4.29Å; M27-L45 HydrophobicContact CB-CD1 3.66Å; M27-L45 HydrophobicContact CE-CB 4.21Å; L37-L45 HydrophobicContact CD1-CB 4.49Å; L37-L45 HydrophobicContact CD1-CD2 4Å; E41-L45 PolarHBondContact O-N 3.1Å; R42-L45 PolarHBondContact O-N 2.73Å; N43-L45 PolarHBondContact O-N 3.05Å; L45-A48 PolarHBondContact O-N 3.45Å; L45-Y49 HydrophobicContact CD1-CD2 3.64Å; L45-Y49 HydrophobicContact CD1-CE2 3.55Å; L45-Y49 HydrophobicContact CG-CD2 4.28Å; L45-Y49 PolarHBondContact O-N 3.37Å; L45-Y49 VanDerWaalsContact O-N 3.12Å; L45-L142 HydrophobicContact CD1-CD1 4.49Å; L45-L147 HydrophobicContact CD2-CD1 3.62Å
46S94.1Very high95Very high34 Ų3442.2 Ų42.224%0.23823%0.228CC..Hα-helixtrans-64.6-46.4179.3-1790000112R42 N43 L44 A48 K50R42-S46 PolarHBondContact O-N 3.18Å; N43-S46 PolarHBondContact O-N 3.17Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 3.31Å; S46-A48 VanDerWaalsContact C-N 3.33Å; S46-A48 PolarHBondContact O-N 3.28Å; S46-K50 WeakPolarHBondContact O-CB 3.38Å; S46-K50 PolarHBondContact O-N 2.69Å
47V95.3Very high95.4Very high43 Ų4340 Ų4026%0.26122%0.216SC..Hα-helixtrans-59.1-45.5176.6169.70000110.8M23 N43 L44 N51M23-V47 HydrophobicContact CE-CB 4.25Å; M23-V47 HydrophobicContact CE-CG1 4.12Å; M23-V47 HydrophobicContact SD-CG1 4.37Å; N43-V47 WeakPolarHBondContact O-CB 3.41Å; N43-V47 VanDerWaalsContact O-CG2 3.3Å; N43-V47 WeakPolarHBondContact O-CG2 3.02Å; N43-V47 PolarHBondContact O-N 3.18Å; L44-V47 PolarHBondContact O-N 3Å; V47-N51 WeakPolarHBondContact O-CB 3.41Å; V47-N51 PolarHBondContact O-N 3.47Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 2.75Å
48A97.3Very high95.6Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-58.1-60.9-179.900000111.4M23 A24 L44 L45 S46 K50 N51 V52M23-A48 HydrophobicContact CB-CB 3.99Å; M23-A48 HydrophobicContact CE-CB 4.23Å; M23-A48 HydrophobicContact CG-CB 3.62Å; M23-A48 HydrophobicContact SD-CB 3.61Å; A24-A48 HydrophobicContact CB-CB 4.06Å; L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.49Å; L44-A48 PolarHBondContact O-N 3.47Å; L45-A48 PolarHBondContact O-N 3.45Å; S46-A48 VanDerWaalsContact C-N 3.33Å; S46-A48 PolarHBondContact O-N 3.28Å; A48-K50 PolarHBondContact O-N 3.37Å; A48-N51 PolarHBondContact O-N 3.36Å; A48-V52 WeakPolarHBondContact O-CG2 3.14Å; A48-V52 PolarHBondContact O-N 3.27Å; A48-V52 VanDerWaalsContact O-N 3.08Å
49Y97.4Very high95.8Very high7 Ų742.4 Ų42.43%0.02724%0.237CC..Hα-helixtrans-69.7-33.3-175.7-81.5-86.7000112.6A24 L45 N51 V52 V53 I94 D97 V98 L142 Y167A24-Y49 HydrophobicContact CB-CD1 4.45Å; A24-Y49 HydrophobicContact CB-CD2 4.2Å; A24-Y49 HydrophobicContact CB-CE1 4.38Å; A24-Y49 HydrophobicContact CB-CE2 4.11Å; A24-Y49 HydrophobicContact CB-CG 4.36Å; L45-Y49 HydrophobicContact CD1-CD2 3.64Å; L45-Y49 HydrophobicContact CD1-CE2 3.55Å; L45-Y49 HydrophobicContact CG-CD2 4.28Å; L45-Y49 PolarHBondContact O-N 3.37Å; L45-Y49 VanDerWaalsContact O-N 3.12Å; Y49-N51 VanDerWaalsContact C-N 3.33Å; Y49-N51 PolarHBondContact O-N 3.48Å; Y49-V52 PolarHBondContact O-N 3.4Å; Y49-V53 WeakPolarHBondContact O-CB 3.48Å; Y49-V53 VanDerWaalsContact O-CG1 3.27Å; Y49-V53 WeakPolarHBondContact O-CG1 3.43Å; Y49-V53 PolarHBondContact O-N 2.72Å; Y49-I94 HydrophobicContact CD1-CG2 4.08Å; Y49-D97 HydrophobicContact CE1-CB 4.14Å; Y49-V98 HydrophobicContact CD1-CG2 3.43Å; Y49-V98 VanDerWaalsContact CD1-CG2 3.43Å; Y49-V98 HydrophobicContact CD2-CG2 4.37Å; Y49-V98 HydrophobicContact CE1-CG2 3.6Å; Y49-V98 HydrophobicContact CG-CG2 3.85Å; Y49-L142 HydrophobicContact CE2-CD1 3.87Å; Y49-L142 WeakPolarHBondContact OH-CD1 3.47Å; Y49-Y167 VanDerWaalsContact C-OH 3.27Å; Y49-Y167 WeakPolarHBondContact CB-OH 3.48Å
50K94.2Very high96.2Very high118 Ų11839.5 Ų39.551%0.51322%0.217SC..Hα-helixtrans-58.1-45174.2-173.5-160.777.6164.50111.2S46 A48 G54S46-K50 WeakPolarHBondContact O-CB 3.38Å; S46-K50 PolarHBondContact O-N 2.69Å; A48-K50 PolarHBondContact O-N 3.37Å; K50-G54 WeakPolarHBondContact O-CA 3.04Å; K50-G54 PolarHBondContact O-N 3.21Å
51N96.8Very high96.3Very high46 Ų4639.7 Ų39.725%0.24621%0.213CC..Hα-helixtrans-71-42.7-179.8-78.7-67.1000111.8Y20 V47 A48 Y49 G54 A55Y20-N51 HydrophobicContact CD1-CB 3.52Å; Y20-N51 HydrophobicContact CD2-CB 3.63Å; Y20-N51 HydrophobicContact CE1-CB 3.9Å; Y20-N51 WeakPolarHBondContact CE1-ND2 3.44Å; Y20-N51 HydrophobicContact CE2-CB 4Å; Y20-N51 HydrophobicContact CG-CB 3.36Å; V47-N51 WeakPolarHBondContact O-CB 3.41Å; V47-N51 PolarHBondContact O-N 3.47Å; V47-N51 VanDerWaalsContact O-N 3.11Å; V47-N51 PolarHBondContact O-ND2 2.75Å; A48-N51 PolarHBondContact O-N 3.36Å; Y49-N51 VanDerWaalsContact C-N 3.33Å; Y49-N51 PolarHBondContact O-N 3.48Å; N51-G54 PolarHBondContact O-N 2.91Å; N51-A55 PolarHBondContact O-N 3.2Å
52V97.7Very high96.4Very high6 Ų642.6 Ų42.64%0.03623%0.232CC..Hα-helixtrans-58.8-53.8176.5174.50000110.8Y20 A24 A48 Y49 G54 A55 R56 I94Y20-V52 VanDerWaalsContact O-CG2 3.29Å; Y20-V52 WeakPolarHBondContact O-CG2 3.42Å; A24-V52 HydrophobicContact CB-CG2 4.11Å; A48-V52 WeakPolarHBondContact O-CG2 3.14Å; A48-V52 PolarHBondContact O-N 3.27Å; A48-V52 VanDerWaalsContact O-N 3.08Å; Y49-V52 PolarHBondContact O-N 3.4Å; V52-G54 VanDerWaalsContact C-N 3.35Å; V52-G54 PolarHBondContact O-N 3.34Å; V52-A55 PolarHBondContact O-N 3.39Å; V52-R56 VanDerWaalsContact O-CD 3.23Å; V52-R56 WeakPolarHBondContact O-CD 3.47Å; V52-R56 PolarHBondContact O-N 3.02Å; V52-I94 HydrophobicContact CG1-CD1 3.59Å; V52-I94 HydrophobicContact CG1-CG1 3.95Å; V52-I94 HydrophobicContact CG1-CG2 4.25Å
53V96.2Very high96.5Very high1 Ų143.5 Ų43.51%0.00624%0.238CC..Hα-helixtrans-67.9-35.4-179.7780000111.9Y49 A55 R56 R57 L91 I94 Y167 Y170Y49-V53 WeakPolarHBondContact O-CB 3.48Å; Y49-V53 VanDerWaalsContact O-CG1 3.27Å; Y49-V53 WeakPolarHBondContact O-CG1 3.43Å; Y49-V53 PolarHBondContact O-N 2.72Å; V53-A55 PolarHBondContact O-N 3.3Å; V53-R56 PolarHBondContact O-N 2.75Å; V53-R57 HydrophobicContact CG2-CG 4.42Å; V53-R57 WeakPolarHBondContact O-CB 3.23Å; V53-R57 WeakPolarHBondContact O-CG 3.42Å; V53-R57 PolarHBondContact O-N 2.88Å; V53-L91 HydrophobicContact CG2-CG 4.37Å; V53-I94 HydrophobicContact CB-CG2 4.01Å; V53-I94 HydrophobicContact CG2-CG2 4.29Å; V53-Y167 HydrophobicContact CB-CE1 4.28Å; V53-Y167 HydrophobicContact CG1-CE1 4.15Å; V53-Y167 HydrophobicContact CG2-CE1 4.43Å; V53-Y170 HydrophobicContact CG1-CD2 3.95Å; V53-Y170 HydrophobicContact CG1-CE2 3.79Å; V53-Y170 HydrophobicContact CG2-CD2 3.92Å; V53-Y170 HydrophobicContact CG2-CG 4.39Å
54G95.5Very high96.7Very high28 Ų2840 Ų4029%0.28922%0.22SC..Hα-helixtrans-60.1-43.5177.100000112.7K50 N51 V52 R56 R57 S58K50-G54 WeakPolarHBondContact O-CA 3.04Å; K50-G54 PolarHBondContact O-N 3.21Å; N51-G54 PolarHBondContact O-N 2.91Å; V52-G54 VanDerWaalsContact C-N 3.35Å; V52-G54 PolarHBondContact O-N 3.34Å; G54-R56 PolarHBondContact O-N 3.47Å; G54-R57 PolarHBondContact O-N 3.42Å; G54-S58 WeakPolarHBondContact O-CB 3.41Å; G54-S58 PolarHBondContact O-N 3.43Å
55A97.5Very high96.6Very high48 Ų4841.3 Ų41.340%0.39723%0.23SC..Hα-helixtrans-62.9-41.7176.400000112.2N51 V52 V53 S58 S59N51-A55 PolarHBondContact O-N 3.2Å; V52-A55 PolarHBondContact O-N 3.39Å; V53-A55 PolarHBondContact O-N 3.3Å; A55-S58 PolarHBondContact O-N 3.49Å; A55-S59 WeakPolarHBondContact O-CB 3.5Å; A55-S59 PolarHBondContact O-N 3.14Å; A55-S59 PolarHBondContact O-OG 3.38Å
56R97.9Very high96.5Very high56 Ų5645.1 Ų45.121%0.21125%0.25CC..Hα-helixtrans-69.8-41177.9-83.967.6178.5-175.3-13.7111.7D21 V52 V53 G54 S58 S59 W60 V87 E90 L91 I94D21-R56 IonicContact OD1-CZ 2.61Å; D21-R56 IonicContact OD1-NH1 3.54Å; D21-R56 PolarHBondContact OD1-NH1 3.06Å; D21-R56 IonicContact OD1-NH2 3.7Å; D21-R56 PolarHBondContact OD1-NH2 3.21Å; D21-R56 IonicContact OD2-CZ 3.93Å; D21-R56 IonicContact OD2-NH1 3.13Å; D21-R56 PolarHBondContact OD2-NH1 3.09Å; D21-R56 IonicContact OD2-NH2 2.93Å; V52-R56 VanDerWaalsContact O-CD 3.23Å; V52-R56 WeakPolarHBondContact O-CD 3.47Å; V52-R56 PolarHBondContact O-N 3.02Å; V53-R56 PolarHBondContact O-N 2.75Å; G54-R56 PolarHBondContact O-N 3.47Å; R56-S58 PolarHBondContact O-N 2.89Å; R56-S59 PolarHBondContact O-N 3.05Å; R56-W60 WeakPolarHBondContact O-CB 3.38Å; R56-W60 PolarHBondContact O-N 3.41Å; R56-V87 WeakPolarHBondContact O-CG1 3.37Å; R56-E90 HydrophobicContact CG-CB 4.26Å; R56-E90 IonicContact NE-OE2 3.26Å; R56-L91 HydrophobicContact CB-CB 4.38Å; R56-I94 HydrophobicContact CB-CD1 4.39Å; R56-I94 HydrophobicContact CG-CD1 3.88Å
57R97.7Very high96.5Very high34 Ų3445 Ų4513%0.12825%0.246CC..Hα-helixtrans-60.1-44.7173.1-75.617569.1-137.15.4112.3V53 G54 W60 R61 L91 E173V53-R57 HydrophobicContact CG2-CG 4.42Å; V53-R57 WeakPolarHBondContact O-CB 3.23Å; V53-R57 WeakPolarHBondContact O-CG 3.42Å; V53-R57 PolarHBondContact O-N 2.88Å; G54-R57 PolarHBondContact O-N 3.42Å; R57-W60 PolarHBondContact O-N 2.92Å; R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 3.05Å; R57-L91 HydrophobicContact CB-CD1 4.45Å; R57-L91 HydrophobicContact CG-CD1 3.55Å; R57-L91 HydrophobicContact CG-CG 4.49Å; R57-E173 IonicContact CZ-OE1 3.85Å; R57-E173 IonicContact CZ-OE2 3.54Å; R57-E173 VanDerWaalsContact CZ-OE2 3.26Å; R57-E173 IonicContact NE-OE1 3.17Å; R57-E173 IonicContact NE-OE2 3.86Å; R57-E173 PolarHBondContact NE-OE2 3.23Å; R57-E173 IonicContact NH2-OE1 3.52Å; R57-E173 PolarHBondContact NH2-OE1 3.36Å; R57-E173 IonicContact NH2-OE2 3.27Å; R57-E173 PolarHBondContact NH2-OE2 3.36Å
58S97.6Very high96.3Very high67 Ų6750.5 Ų50.547%0.46927%0.268SS..Hα-helixtrans-62.5-47.3176.7-169.20000111.4G54 A55 R56 W60 R61 V62G54-S58 WeakPolarHBondContact O-CB 3.41Å; G54-S58 PolarHBondContact O-N 3.43Å; A55-S58 PolarHBondContact O-N 3.49Å; R56-S58 PolarHBondContact O-N 2.89Å; S58-W60 VanDerWaalsContact C-N 3.31Å; S58-W60 PolarHBondContact O-N 3.35Å; S58-R61 PolarHBondContact O-N 3.23Å; S58-V62 WeakPolarHBondContact O-CG2 3.3Å; S58-V62 PolarHBondContact O-N 3.04Å; S58-V62 VanDerWaalsContact O-N 3.15Å
59S97.6Very high96.1Very high58 Ų5858 Ų5841%0.40630%0.301SS..Hα-helixtrans-57.4-45.2174.7-58.90000111.7A55 R56 R61 V62 I63A55-S59 WeakPolarHBondContact O-CB 3.5Å; A55-S59 PolarHBondContact O-N 3.14Å; A55-S59 PolarHBondContact O-OG 3.38Å; R56-S59 PolarHBondContact O-N 3.05Å; S59-R61 PolarHBondContact O-N 2.85Å; S59-V62 PolarHBondContact O-N 2.91Å; S59-I63 VanDerWaalsContact O-CG1 3.31Å; S59-I63 WeakPolarHBondContact O-CG1 3.32Å; S59-I63 PolarHBondContact O-N 3.12Å
60W97.8Very high95.8Very high46 Ų4659 Ų5917%0.17431%0.308CS..Hα-helixtrans-59.5-48.5178.5-178.180.6000112R56 R57 S58 V62 I63 S64 V87 E88 E173 V174R56-W60 WeakPolarHBondContact O-CB 3.38Å; R56-W60 PolarHBondContact O-N 3.41Å; R57-W60 PolarHBondContact O-N 2.92Å; S58-W60 VanDerWaalsContact C-N 3.31Å; S58-W60 PolarHBondContact O-N 3.35Å; W60-V62 VanDerWaalsContact C-N 3.31Å; W60-V62 PolarHBondContact O-N 3.22Å; W60-I63 PolarHBondContact O-N 3.46Å; W60-S64 VanDerWaalsContact CE2-OG 3.3Å; W60-S64 WeakPolarHBondContact O-CB 3.37Å; W60-S64 PolarHBondContact O-N 3.42Å; W60-S64 PolarHBondContact O-OG 3.4Å; W60-V87 HydrophobicContact CB-CG1 3.88Å; W60-E88 HydrophobicContact CG-CG 4.47Å; W60-E88 PolarHBondContact NE1-OE1 3.02Å; W60-E173 WeakPolarHBondContact CH2-O 3.49Å; W60-V174 HydrophobicContact CD2-CG1 3.8Å; W60-V174 HydrophobicContact CE3-CG1 4.22Å; W60-V174 HydrophobicContact CG-CG1 4.2Å; W60-V174 HydrophobicContact CH2-CG1 4.3Å; W60-V174 HydrophobicContact CZ2-CB 4.32Å; W60-V174 HydrophobicContact CZ2-CG1 3.91Å; W60-V174 HydrophobicContact CZ3-CG1 4.45Å
61R96.9Very high95.4Very high112 Ų11261.8 Ų61.842%0.42332%0.323SS..Hα-helixtrans-57.6-43.3177.7-70.6-174.4-171.198.82.6112.6R57 S58 S59 S65 E173R57-R61 WeakPolarHBondContact O-CG 3.49Å; R57-R61 PolarHBondContact O-N 3.05Å; S58-R61 PolarHBondContact O-N 3.23Å; S59-R61 PolarHBondContact O-N 2.85Å; R61-S65 WeakPolarHBondContact O-CB 3.38Å; R61-S65 PolarHBondContact O-N 2.85Å; R61-E173 IonicContact NH2-OE2 2.68Å
62V97.3Very high94.7Very high81 Ų8164 Ų6449%0.49136%0.357SS..Hα-helixtrans-62.8-49.6178.8172.10000110.6S58 S59 W60 S65 I66S58-V62 WeakPolarHBondContact O-CG2 3.3Å; S58-V62 PolarHBondContact O-N 3.04Å; S58-V62 VanDerWaalsContact O-N 3.15Å; S59-V62 PolarHBondContact O-N 2.91Å; W60-V62 VanDerWaalsContact C-N 3.31Å; W60-V62 PolarHBondContact O-N 3.22Å; V62-S65 PolarHBondContact O-N 3.03Å; V62-I66 HydrophobicContact CG1-CD1 3.94Å; V62-I66 WeakPolarHBondContact O-CG1 3.43Å; V62-I66 PolarHBondContact O-N 3.49Å
63I96.5Very high94.3Very high29 Ų2965.9 Ų65.915%0.14937%0.37CS..Hα-helixtrans-67.6-41.6-177.7-60.3-59.6000111.3S59 W60 S65 I66 E67 A80 Y83 R84S59-I63 VanDerWaalsContact O-CG1 3.31Å; S59-I63 WeakPolarHBondContact O-CG1 3.32Å; S59-I63 PolarHBondContact O-N 3.12Å; W60-I63 PolarHBondContact O-N 3.46Å; I63-S65 VanDerWaalsContact C-N 3.29Å; I63-S65 PolarHBondContact O-N 3.37Å; I63-I66 HydrophobicContact CD1-CD1 4.31Å; I63-I66 PolarHBondContact O-N 2.98Å; I63-I66 VanDerWaalsContact O-N 3.15Å; I63-E67 WeakPolarHBondContact O-CB 3.44Å; I63-E67 PolarHBondContact O-N 2.96Å; I63-A80 WeakPolarHBondContact CG2-O 3.37Å; I63-Y83 HydrophobicContact CD1-CD1 3.76Å; I63-Y83 HydrophobicContact CD1-CE1 4.06Å; I63-Y83 HydrophobicContact CG1-CD1 3.84Å; I63-Y83 HydrophobicContact CG1-CE1 4.18Å; I63-Y83 HydrophobicContact CG2-CD1 4.26Å; I63-R84 HydrophobicContact CG2-CB 3.87Å
64S95.6Very high94Very high14 Ų1473.7 Ų73.710%0.09841%0.407CS..Hα-helixtrans-59-40.1173.8-64.60000111.7W60 E67 Q68 R84W60-S64 VanDerWaalsContact CE2-OG 3.3Å; W60-S64 WeakPolarHBondContact O-CB 3.37Å; W60-S64 PolarHBondContact O-N 3.42Å; W60-S64 PolarHBondContact O-OG 3.4Å; S64-E67 PolarHBondContact O-N 3.49Å; S64-Q68 VanDerWaalsContact O-CG 3.29Å; S64-Q68 WeakPolarHBondContact O-CG 3.48Å; S64-Q68 PolarHBondContact O-N 3.34Å; S64-Q68 VanDerWaalsContact O-N 3.07Å; S64-R84 WeakPolarHBondContact OG-CD 3.35Å
65S95.6Very high93.9Very high38 Ų3880 Ų8027%0.26643%0.426SS..Hα-helixtrans-66.5-39.5175.2-167.10000112.6R61 V62 I63 Q68 K69R61-S65 WeakPolarHBondContact O-CB 3.38Å; R61-S65 PolarHBondContact O-N 2.85Å; V62-S65 PolarHBondContact O-N 3.03Å; I63-S65 VanDerWaalsContact C-N 3.29Å; I63-S65 PolarHBondContact O-N 3.37Å; S65-Q68 PolarHBondContact O-N 2.8Å; S65-K69 WeakPolarHBondContact O-CB 3.4Å; S65-K69 WeakPolarHBondContact O-CG 3.28Å; S65-K69 PolarHBondContact O-N 3.12Å; S65-K69 WeakPolarHBondContact OG-CE 3.49Å; S65-K69 PolarHBondContact OG-NZ 3.47Å; S65-K69 VanDerWaalsContact OG-NZ 3.15Å
66I94.8Very high93.7Very high82 Ų8284.4 Ų84.442%0.42144%0.436SS..Hα-helixtrans-64-44.5175.6-69.4166.8000110.4V62 I63 Q68 K69 T70V62-I66 HydrophobicContact CG1-CD1 3.94Å; V62-I66 WeakPolarHBondContact O-CG1 3.43Å; V62-I66 PolarHBondContact O-N 3.49Å; I63-I66 HydrophobicContact CD1-CD1 4.31Å; I63-I66 PolarHBondContact O-N 2.98Å; I63-I66 VanDerWaalsContact O-N 3.15Å; I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 2.84Å; I66-K69 PolarHBondContact O-N 3.26Å; I66-T70 WeakPolarHBondContact O-CB 3.48Å; I66-T70 PolarHBondContact O-N 3.44Å; I66-T70 PolarHBondContact O-OG1 2.93Å
67E93.7Very high93.4Very high32 Ų3285 Ų8515%0.1544%0.441CS..Hα-helixtrans-57.1-46.4177.5-171.4-166.7146.100111.4I63 S64 A80 R81 R84I63-E67 WeakPolarHBondContact O-CB 3.44Å; I63-E67 PolarHBondContact O-N 2.96Å; S64-E67 PolarHBondContact O-N 3.49Å; E67-A80 HydrophobicContact CB-CB 3.94Å; E67-A80 HydrophobicContact CG-CB 4.2Å; E67-R81 HydrophobicContact CG-CG 3.79Å; E67-R81 WeakPolarHBondContact OE1-CG 3.25Å; E67-R84 WeakPolarHBondContact OE2-CD 3.48Å; E67-R84 IonicContact OE2-CZ 3.46Å; E67-R84 IonicContact OE2-NE 2.83Å; E67-R84 PolarHBondContact OE2-NE 3.2Å
68Q91.4Very high93.3Very high158 Ų15887.1 Ų87.174%0.73845%0.453SS*.Hα-helixtrans-66.6-36.7179.8-72.6171.9-4.900113.3S64 S65 I66S64-Q68 VanDerWaalsContact O-CG 3.29Å; S64-Q68 WeakPolarHBondContact O-CG 3.48Å; S64-Q68 PolarHBondContact O-N 3.34Å; S64-Q68 VanDerWaalsContact O-N 3.07Å; S65-Q68 PolarHBondContact O-N 2.8Å; I66-Q68 VanDerWaalsContact C-N 3.32Å; I66-Q68 PolarHBondContact O-N 2.84Å
69K93.5Very high93.2Very high156 Ų15689.5 Ų89.568%0.67846%0.458SS*.Hα-helixtrans-88.1-8.7-177.4-68.8171.8179.2164.90113.9S65 I66 E71S65-K69 WeakPolarHBondContact O-CB 3.4Å; S65-K69 WeakPolarHBondContact O-CG 3.28Å; S65-K69 PolarHBondContact O-N 3.12Å; S65-K69 WeakPolarHBondContact OG-CE 3.49Å; S65-K69 PolarHBondContact OG-NZ 3.47Å; S65-K69 VanDerWaalsContact OG-NZ 3.15Å; I66-K69 PolarHBondContact O-N 3.26Å; K69-E71 PolarHBondContact O-N 2.86Å
70T90.6Very high93.1Very high30 Ų3087.2 Ų87.218%0.18444%0.443CS..  trans-79.5104.7-177.8-64.80000110.2I66 K76 Q77I66-T70 WeakPolarHBondContact O-CB 3.48Å; I66-T70 PolarHBondContact O-N 3.44Å; I66-T70 PolarHBondContact O-OG1 2.93Å; T70-K76 HydrophobicContact CG2-CB 3.74Å; T70-Q77 HydrophobicContact CG2-CB 4.31Å
71E86.3Confident92.9Very high175 Ų17587.9 Ų87.982%0.81845%0.445SS*.  trans-106.9157.5175.3-64-178.5-176.400112.2K69 S73K69-E71 PolarHBondContact O-N 2.86Å; E71-S73 VanDerWaalsContact C-N 3.27Å; E71-S73 PolarHBondContact O-N 2.88Å; E71-S73 VanDerWaalsContact O-N 3.16Å
72G81.2Confident92.9Very high94 Ų9486.6 Ų86.697%0.96945%0.447SS*.SBendtrans74.71.6167.700000116.9
73S88.2Confident92.9Very high44 Ų4488.7 Ų88.731%0.30845%0.447SS..  trans-143.8100.1172.9-174.90000112E71 K75 K76 Q77E71-S73 VanDerWaalsContact C-N 3.27Å; E71-S73 PolarHBondContact O-N 2.88Å; E71-S73 VanDerWaalsContact O-N 3.16Å; S73-K75 PolarHBondContact O-N 3.36Å; S73-K76 PolarHBondContact O-N 2.91Å; S73-K76 VanDerWaalsContact O-N 3.12Å; S73-Q77 PolarHBondContact O-N 3.13Å
74E91.1Very high92.9Very high166 Ų16689.2 Ų89.278%0.77645%0.447SS*.Hα-helixtrans-53.8-39.6176.5-69.3-17716800112.2K76 Q77 Q78E74-K76 PolarHBondContact O-N 2.93Å; E74-Q77 PolarHBondContact O-N 3.09Å; E74-Q78 WeakPolarHBondContact O-CB 3.2Å; E74-Q78 PolarHBondContact O-N 3.4Å
75K94Very high93Very high159 Ų15993.2 Ų93.269%0.69146%0.464SS*.Hα-helixtrans-62.4-44.8178.7-174.2176.5179.8178.60112.3S73 Q77 Q78 M79S73-K75 PolarHBondContact O-N 3.36Å; K75-Q77 VanDerWaalsContact C-N 3.35Å; K75-Q78 PolarHBondContact O-N 3.06Å; K75-M79 HydrophobicContact CG-SD 4.36Å; K75-M79 VanDerWaalsContact O-CG 3.28Å; K75-M79 WeakPolarHBondContact O-CG 3.17Å; K75-M79 PolarHBondContact O-N 3.36Å
76K92.3Very high93Very high142 Ų14296.8 Ų96.862%0.61748%0.475SS*.Hα-helixtrans-67-40.2177.9-71.8-175.6177.8-178.80111.2T70 S73 E74 Q78 M79 A80T70-K76 HydrophobicContact CG2-CB 3.74Å; S73-K76 PolarHBondContact O-N 2.91Å; S73-K76 VanDerWaalsContact O-N 3.12Å; E74-K76 PolarHBondContact O-N 2.93Å; K76-Q78 VanDerWaalsContact C-N 3.33Å; K76-Q78 PolarHBondContact O-N 3.4Å; K76-M79 PolarHBondContact O-N 3.32Å; K76-A80 PolarHBondContact O-N 3.06Å
77Q92.7Very high93.1Very high67 Ų6793.1 Ų93.131%0.31346%0.456SS..Hα-helixtrans-63.5-41177.9-153.3-16921.600111.4T70 S73 E74 K75 A80 R81T70-Q77 HydrophobicContact CG2-CB 4.31Å; S73-Q77 PolarHBondContact O-N 3.13Å; E74-Q77 PolarHBondContact O-N 3.09Å; K75-Q77 VanDerWaalsContact C-N 3.35Å; Q77-A80 PolarHBondContact O-N 2.95Å; Q77-R81 VanDerWaalsContact CG-NH1 3.31Å; Q77-R81 PolarHBondContact O-N 3.32Å; Q77-R81 VanDerWaalsContact OE1-NH1 3.11Å
78Q94.8Very high93.2Very high80 Ų8092.2 Ų92.237%0.37445%0.452SS..Hα-helixtrans-64.9-43.6174.9-169.359.439.600112.2E74 K75 K76 A80 R81 D82E74-Q78 WeakPolarHBondContact O-CB 3.2Å; E74-Q78 PolarHBondContact O-N 3.4Å; K75-Q78 PolarHBondContact O-N 3.06Å; K76-Q78 VanDerWaalsContact C-N 3.33Å; K76-Q78 PolarHBondContact O-N 3.4Å; Q78-A80 VanDerWaalsContact C-N 3.28Å; Q78-A80 PolarHBondContact O-N 3.05Å; Q78-R81 WeakPolarHBondContact O-CB 3.48Å; Q78-R81 PolarHBondContact O-N 3.05Å; Q78-D82 PolarHBondContact NE2-OD1 2.91Å; Q78-D82 VanDerWaalsContact O-CG 3.26Å; Q78-D82 PolarHBondContact O-N 3.36Å
79M95.4Very high93.4Very high116 Ų11690.6 Ų90.657%0.57144%0.443SS*.Hα-helixtrans-60.5-38.4176.3-71.4174.465.600112.3K75 K76 Y83K75-M79 HydrophobicContact CG-SD 4.36Å; K75-M79 VanDerWaalsContact O-CG 3.28Å; K75-M79 WeakPolarHBondContact O-CG 3.17Å; K75-M79 PolarHBondContact O-N 3.36Å; K76-M79 PolarHBondContact O-N 3.32Å; M79-Y83 WeakPolarHBondContact O-CB 3.35Å; M79-Y83 PolarHBondContact O-N 3.25Å
80A94.7Very high93.5Very high11 Ų1186.4 Ų86.49%0.09143%0.425CS..Hα-helixtrans-65.2-44.2175.200000111.5I63 E67 K76 Q77 Q78 Y83 R84I63-A80 WeakPolarHBondContact CG2-O 3.37Å; E67-A80 HydrophobicContact CB-CB 3.94Å; E67-A80 HydrophobicContact CG-CB 4.2Å; K76-A80 PolarHBondContact O-N 3.06Å; Q77-A80 PolarHBondContact O-N 2.95Å; Q78-A80 VanDerWaalsContact C-N 3.28Å; Q78-A80 PolarHBondContact O-N 3.05Å; A80-Y83 PolarHBondContact O-N 2.86Å; A80-R84 WeakPolarHBondContact O-CB 3.43Å; A80-R84 PolarHBondContact O-N 3.1Å
81R95.2Very high93.7Very high60 Ų6085 Ų8523%0.22642%0.416CS..Hα-helixtrans-56.5-54.2174-84.6-173.1-66-98.93.5112.7E67 Q77 Q78 Y83 R84 E85E67-R81 HydrophobicContact CG-CG 3.79Å; E67-R81 WeakPolarHBondContact OE1-CG 3.25Å; Q77-R81 VanDerWaalsContact CG-NH1 3.31Å; Q77-R81 PolarHBondContact O-N 3.32Å; Q77-R81 VanDerWaalsContact OE1-NH1 3.11Å; Q78-R81 WeakPolarHBondContact O-CB 3.48Å; Q78-R81 PolarHBondContact O-N 3.05Å; R81-Y83 PolarHBondContact O-N 3.17Å; R81-R84 WeakPolarHBondContact O-CB 3.2Å; R81-R84 PolarHBondContact O-N 3.25Å; R81-R84 VanDerWaalsContact O-N 3.11Å; R81-E85 WeakPolarHBondContact O-CG 3.38Å; R81-E85 PolarHBondContact O-N 2.83Å
82D96.8Very high94Very high85 Ų8580.5 Ų80.546%0.45539%0.392SS..Hα-helixtrans-59.3-38.3-177.3-63.2-14.5000111Q78 K86Q78-D82 PolarHBondContact NE2-OD1 2.91Å; Q78-D82 VanDerWaalsContact O-CG 3.26Å; Q78-D82 PolarHBondContact O-N 3.36Å; D82-K86 PolarHBondContact O-N 3.11Å; D82-K86 VanDerWaalsContact O-N 3.14Å
83Y97.3Very high94.6Very high125 Ų12580 Ų8049%0.4937%0.367SS..Hα-helixtrans-73.7-37.8178-160-111.1000112.5I63 M79 A80 R81 E85 K86 V87I63-Y83 HydrophobicContact CD1-CD1 3.76Å; I63-Y83 HydrophobicContact CD1-CE1 4.06Å; I63-Y83 HydrophobicContact CG1-CD1 3.84Å; I63-Y83 HydrophobicContact CG1-CE1 4.18Å; I63-Y83 HydrophobicContact CG2-CD1 4.26Å; M79-Y83 WeakPolarHBondContact O-CB 3.35Å; M79-Y83 PolarHBondContact O-N 3.25Å; A80-Y83 PolarHBondContact O-N 2.86Å; R81-Y83 PolarHBondContact O-N 3.17Å; Y83-E85 VanDerWaalsContact C-N 3.34Å; Y83-E85 PolarHBondContact O-N 3.38Å; Y83-K86 HydrophobicContact CD2-CD 4.48Å; Y83-K86 HydrophobicContact CE2-CD 4.4Å; Y83-K86 WeakPolarHBondContact O-CB 3.45Å; Y83-K86 PolarHBondContact O-N 3.3Å; Y83-V87 HydrophobicContact CD1-CG2 4.43Å; Y83-V87 HydrophobicContact CE1-CG2 4.25Å; Y83-V87 WeakPolarHBondContact O-CG2 3.46Å; Y83-V87 PolarHBondContact O-N 2.8Å; Y83-V87 VanDerWaalsContact O-N 3.07Å
84R96.6Very high94.8Very high39 Ų3978.8 Ų78.815%0.14736%0.357CS..Hα-helixtrans-56.2-50.8171.4-178.9-169.452.176.610.5110I63 S64 E67 A80 R81 K86 V87 E88I63-R84 HydrophobicContact CG2-CB 3.87Å; S64-R84 WeakPolarHBondContact OG-CD 3.35Å; E67-R84 WeakPolarHBondContact OE2-CD 3.48Å; E67-R84 IonicContact OE2-CZ 3.46Å; E67-R84 IonicContact OE2-NE 2.83Å; E67-R84 PolarHBondContact OE2-NE 3.2Å; A80-R84 WeakPolarHBondContact O-CB 3.43Å; A80-R84 PolarHBondContact O-N 3.1Å; R81-R84 WeakPolarHBondContact O-CB 3.2Å; R81-R84 PolarHBondContact O-N 3.25Å; R81-R84 VanDerWaalsContact O-N 3.11Å; R84-K86 VanDerWaalsContact C-N 3.28Å; R84-K86 PolarHBondContact O-N 3.44Å; R84-V87 PolarHBondContact O-N 3.11Å; R84-V87 VanDerWaalsContact O-N 3.09Å; R84-E88 HydrophobicContact CG-CG 4.42Å; R84-E88 IonicContact CZ-OE1 3.42Å; R84-E88 IonicContact NH1-OE1 2.75Å; R84-E88 PolarHBondContact NH1-OE1 3.41Å; R84-E88 IonicContact NH1-OE2 2.93Å; R84-E88 PolarHBondContact NH1-OE2 3.33Å; R84-E88 VanDerWaalsContact NH1-OE2 3.13Å; R84-E88 WeakPolarHBondContact O-CG 3.49Å; R84-E88 PolarHBondContact O-N 3.28Å
85E96.1Very high94.9Very high98 Ų9870.9 Ų70.946%0.45832%0.32SS..Hα-helixtrans-62.4-35.1-178-70.6179.1-178.800112.6R81 Y83 E88 K89R81-E85 WeakPolarHBondContact O-CG 3.38Å; R81-E85 PolarHBondContact O-N 2.83Å; Y83-E85 VanDerWaalsContact C-N 3.34Å; Y83-E85 PolarHBondContact O-N 3.38Å; E85-E88 PolarHBondContact O-N 3.08Å; E85-K89 PolarHBondContact O-N 3.42Å
86K97.2Very high94.8Very high114 Ų11465.6 Ų65.650%0.49630%0.298SS..Hα-helixtrans-61.5-49.7171.3-176.2-175.7174.1-171.80111.6D82 Y83 R84 E88 K89 E90D82-K86 PolarHBondContact O-N 3.11Å; D82-K86 VanDerWaalsContact O-N 3.14Å; Y83-K86 HydrophobicContact CD2-CD 4.48Å; Y83-K86 HydrophobicContact CE2-CD 4.4Å; Y83-K86 WeakPolarHBondContact O-CB 3.45Å; Y83-K86 PolarHBondContact O-N 3.3Å; R84-K86 VanDerWaalsContact C-N 3.28Å; R84-K86 PolarHBondContact O-N 3.44Å; K86-E88 VanDerWaalsContact C-N 3.3Å; K86-E88 PolarHBondContact O-N 3.43Å; K86-K89 WeakPolarHBondContact O-CB 3.44Å; K86-K89 PolarHBondContact O-N 3.48Å; K86-E90 WeakPolarHBondContact CE-OE1 3.29Å; K86-E90 PolarHBondContact O-N 3.45Å
87V97Very high94.7Very high5 Ų561.8 Ų61.83%0.0328%0.284CS..Hα-helixtrans-63.1-38.4178.91770000111.1R56 W60 Y83 R84 K89 E90 L91R56-V87 WeakPolarHBondContact O-CG1 3.37Å; W60-V87 HydrophobicContact CB-CG1 3.88Å; Y83-V87 HydrophobicContact CD1-CG2 4.43Å; Y83-V87 HydrophobicContact CE1-CG2 4.25Å; Y83-V87 WeakPolarHBondContact O-CG2 3.46Å; Y83-V87 PolarHBondContact O-N 2.8Å; Y83-V87 VanDerWaalsContact O-N 3.07Å; R84-V87 PolarHBondContact O-N 3.11Å; R84-V87 VanDerWaalsContact O-N 3.09Å; V87-K89 VanDerWaalsContact C-N 3.35Å; V87-E90 PolarHBondContact O-N 3.21Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 PolarHBondContact O-N 3.5Å
88E95.8Very high94.7Very high13 Ų1358.7 Ų58.76%0.06127%0.27CS..Hα-helixtrans-62.8-41.2174.3-73.6-176179.300112.7W60 R84 E85 K86 E90 L91 R92 V174W60-E88 HydrophobicContact CG-CG 4.47Å; W60-E88 PolarHBondContact NE1-OE1 3.02Å; R84-E88 HydrophobicContact CG-CG 4.42Å; R84-E88 IonicContact CZ-OE1 3.42Å; R84-E88 IonicContact NH1-OE1 2.75Å; R84-E88 PolarHBondContact NH1-OE1 3.41Å; R84-E88 IonicContact NH1-OE2 2.93Å; R84-E88 PolarHBondContact NH1-OE2 3.33Å; R84-E88 VanDerWaalsContact NH1-OE2 3.13Å; R84-E88 WeakPolarHBondContact O-CG 3.49Å; R84-E88 PolarHBondContact O-N 3.28Å; E85-E88 PolarHBondContact O-N 3.08Å; K86-E88 VanDerWaalsContact C-N 3.3Å; K86-E88 PolarHBondContact O-N 3.43Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E88-L91 PolarHBondContact O-N 3.41Å; E88-R92 WeakPolarHBondContact O-CB 3.48Å; E88-R92 WeakPolarHBondContact O-CG 3.3Å; E88-R92 PolarHBondContact O-N 2.87Å; E88-R92 IonicContact OE2-NH1 3.02Å; E88-R92 PolarHBondContact OE2-NH1 3.33Å; E88-V174 HydrophobicContact CG-CB 4.2Å; E88-V174 HydrophobicContact CG-CG1 4.35Å
89K94.9Very high94.4Very high124 Ų12454.9 Ų54.954%0.53925%0.252SS..Hα-helixtrans-60.9-47.2175.6-172.1-171.7172.5-166.80110.4E85 K86 V87 L91 R92 D93E85-K89 PolarHBondContact O-N 3.42Å; K86-K89 WeakPolarHBondContact O-CB 3.44Å; K86-K89 PolarHBondContact O-N 3.48Å; V87-K89 VanDerWaalsContact C-N 3.35Å; K89-L91 VanDerWaalsContact C-N 3.3Å; K89-L91 PolarHBondContact O-N 2.96Å; K89-R92 PolarHBondContact O-N 3.42Å; K89-D93 WeakPolarHBondContact O-CB 3.46Å; K89-D93 PolarHBondContact O-N 3.38Å
90E95.8Very high93.2Very high67 Ų6750 Ų5031%0.31323%0.229SC..Hα-helixtrans-57.7-43.8176-67.6175.3-161.800111.6R56 K86 V87 E88 D93 I94R56-E90 HydrophobicContact CG-CB 4.26Å; R56-E90 IonicContact NE-OE2 3.26Å; K86-E90 WeakPolarHBondContact CE-OE1 3.29Å; K86-E90 PolarHBondContact O-N 3.45Å; V87-E90 PolarHBondContact O-N 3.21Å; E88-E90 VanDerWaalsContact C-N 3.34Å; E90-D93 PolarHBondContact O-N 2.87Å; E90-I94 VanDerWaalsContact O-CD1 3.29Å; E90-I94 WeakPolarHBondContact O-CD1 3.36Å; E90-I94 VanDerWaalsContact O-CG1 3.23Å; E90-I94 WeakPolarHBondContact O-CG1 3.4Å; E90-I94 PolarHBondContact O-N 3.2Å
91L94.8Very high91.5Very high0 Ų055.9 Ų55.90%025%0.249CC..Hα-helixtrans-62-46176.7-172.9158.3000111.8V53 R56 R57 V87 E88 K89 I94 C95 V174V53-L91 HydrophobicContact CG2-CG 4.37Å; R56-L91 HydrophobicContact CB-CB 4.38Å; R57-L91 HydrophobicContact CB-CD1 4.45Å; R57-L91 HydrophobicContact CG-CD1 3.55Å; R57-L91 HydrophobicContact CG-CG 4.49Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 PolarHBondContact O-N 3.5Å; E88-L91 PolarHBondContact O-N 3.41Å; K89-L91 VanDerWaalsContact C-N 3.3Å; K89-L91 PolarHBondContact O-N 2.96Å; L91-I94 PolarHBondContact O-N 2.99Å; L91-C95 PolarHBondContact O-N 3Å; L91-C95 PolarHBondContact O-SG 3.26Å; L91-V174 HydrophobicContact CD1-CG1 3.99Å; L91-V174 HydrophobicContact CD2-CG1 4.43Å; L91-V174 HydrophobicContact CD2-CG2 4.01Å
92R92.6Very high89.5Confident82 Ų8259.5 Ų59.531%0.30927%0.266SS..Hα-helixtrans-60.9-45.8177.3-75.8-172.9-69.6-97.6-2.7111.1E88 K89 I94 C95 H96 L171 V174E88-R92 WeakPolarHBondContact O-CB 3.48Å; E88-R92 WeakPolarHBondContact O-CG 3.3Å; E88-R92 PolarHBondContact O-N 2.87Å; E88-R92 IonicContact OE2-NH1 3.02Å; E88-R92 PolarHBondContact OE2-NH1 3.33Å; K89-R92 PolarHBondContact O-N 3.42Å; R92-I94 VanDerWaalsContact C-N 3.32Å; R92-I94 PolarHBondContact O-N 2.74Å; R92-C95 PolarHBondContact O-N 2.89Å; R92-C95 VanDerWaalsContact O-N 3.13Å; R92-H96 WeakPolarHBondContact O-CB 3.03Å; R92-H96 VanDerWaalsContact O-CG 3.25Å; R92-H96 PolarHBondContact O-N 3.42Å; R92-H96 PolarHBondContact O-ND1 3.09Å; R92-L171 HydrophobicContact CB-CD2 4.23Å; R92-L171 HydrophobicContact CG-CD2 3.82Å; R92-V174 HydrophobicContact CG-CG2 4.48Å
93D92.5Very high87.2Confident83 Ų8356.1 Ų56.144%0.44425%0.25SS..Hα-helixtrans-60.1-42.5178.3-66.3-15.7000110.8K89 E90 C95 H96 D97K89-D93 WeakPolarHBondContact O-CB 3.46Å; K89-D93 PolarHBondContact O-N 3.38Å; E90-D93 PolarHBondContact O-N 2.87Å; D93-C95 PolarHBondContact O-N 3.49Å; D93-H96 PolarHBondContact O-N 2.85Å; D93-D97 PolarHBondContact O-N 3.13Å
94I93.5Very high84.7Confident19 Ų1955.1 Ų55.110%0.09726%0.257CS..Hα-helixtrans-62.7-42.2174.7-65.7155.1000111.6Y49 V52 V53 R56 E90 L91 R92 D97 V98Y49-I94 HydrophobicContact CD1-CG2 4.08Å; V52-I94 HydrophobicContact CG1-CD1 3.59Å; V52-I94 HydrophobicContact CG1-CG1 3.95Å; V52-I94 HydrophobicContact CG1-CG2 4.25Å; V53-I94 HydrophobicContact CB-CG2 4.01Å; V53-I94 HydrophobicContact CG2-CG2 4.29Å; R56-I94 HydrophobicContact CB-CD1 4.39Å; R56-I94 HydrophobicContact CG-CD1 3.88Å; E90-I94 VanDerWaalsContact O-CD1 3.29Å; E90-I94 WeakPolarHBondContact O-CD1 3.36Å; E90-I94 VanDerWaalsContact O-CG1 3.23Å; E90-I94 WeakPolarHBondContact O-CG1 3.4Å; E90-I94 PolarHBondContact O-N 3.2Å; L91-I94 PolarHBondContact O-N 2.99Å; R92-I94 VanDerWaalsContact C-N 3.32Å; R92-I94 PolarHBondContact O-N 2.74Å; I94-D97 WeakPolarHBondContact O-CB 3.27Å; I94-D97 PolarHBondContact O-N 2.89Å; I94-V98 PolarHBondContact O-N 3.38Å
95C94Very high82.3Confident0 Ų056.3 Ų56.30%027%0.265CS..Hα-helixtrans-68.6-40.1179.3-63.30000111.9L91 R92 D93 D97 V98 L99 Y167 L171L91-C95 PolarHBondContact O-N 3Å; L91-C95 PolarHBondContact O-SG 3.26Å; R92-C95 PolarHBondContact O-N 2.89Å; R92-C95 VanDerWaalsContact O-N 3.13Å; D93-C95 PolarHBondContact O-N 3.49Å; C95-D97 VanDerWaalsContact C-N 3.28Å; C95-D97 PolarHBondContact O-N 3.4Å; C95-V98 PolarHBondContact O-N 3.39Å; C95-V98 VanDerWaalsContact O-N 3.12Å; C95-L99 VanDerWaalsContact O-CB 3.28Å; C95-L99 WeakPolarHBondContact O-CB 3.29Å; C95-L99 WeakPolarHBondContact O-CG 3.23Å; C95-L99 PolarHBondContact O-N 3.01Å; C95-Y167 HydrophobicContact CB-CD1 4.18Å; C95-L171 HydrophobicContact CB-CD1 3.94Å; C95-L171 HydrophobicContact CB-CD2 3.6Å; C95-L171 HydrophobicContact CB-CG 3.56Å
96H90.6Very high79.8Confident48 Ų4855.4 Ų55.422%0.22227%0.269CS..Hα-helixtrans-71.6-20.4176.1-63.8162.5000113.4R92 D93 V98 L99 W101R92-H96 WeakPolarHBondContact O-CB 3.03Å; R92-H96 VanDerWaalsContact O-CG 3.25Å; R92-H96 PolarHBondContact O-N 3.42Å; R92-H96 PolarHBondContact O-ND1 3.09Å; D93-H96 PolarHBondContact O-N 2.85Å; H96-V98 VanDerWaalsContact C-N 3.27Å; H96-L99 CarbonylContact C-O 3.46Å; H96-W101 HydrophobicContact CB-CB 4.31Å; H96-W101 AromaticContact CD2-CD1 3.85Å; H96-W101 AromaticContact CD2-CG 3.85Å; H96-W101 AromaticContact CE1-CD1 3.66Å; H96-W101 AromaticContact CE1-CD2 3.86Å; H96-W101 AromaticContact CE1-CE2 3.93Å; H96-W101 AromaticContact CE1-CG 3.72Å; H96-W101 AromaticContact CE1-NE1 3.8Å; H96-W101 AromaticContact ND1-CG 3.99Å; H96-W101 AromaticContact NE2-CD1 3.32Å; H96-W101 VanDerWaalsContact NE2-CD1 3.32Å; H96-W101 AromaticContact NE2-CG 3.65Å; H96-W101 AromaticContact NE2-NE1 3.77Å
97D90.8Very high77.3Confident62 Ų6258 Ų5833%0.33228%0.281SS..Hα-helixtrans-65.1-36.9167.4-103.312.2000111.2K28 Y49 D93 I94 C95 L142K28-D97 IonicContact NZ-OD1 2.82Å; K28-D97 PolarHBondContact NZ-OD1 2.94Å; K28-D97 IonicContact NZ-OD2 3.21Å; K28-D97 PolarHBondContact NZ-OD2 3.47Å; Y49-D97 HydrophobicContact CE1-CB 4.14Å; D93-D97 PolarHBondContact O-N 3.13Å; I94-D97 WeakPolarHBondContact O-CB 3.27Å; I94-D97 PolarHBondContact O-N 2.89Å; C95-D97 VanDerWaalsContact C-N 3.28Å; C95-D97 PolarHBondContact O-N 3.4Å; D97-L142 WeakPolarHBondContact O-CG 3.38Å; D97-L142 PolarHBondContact O-N 2.9Å
98V92.6Very high74.8Confident1 Ų165 Ų651%0.00632%0.318CS..Hα-helixtrans-87-38.9-178.1179.20000112.1Y49 I94 C95 H96 L142 L143 M163 Y167Y49-V98 HydrophobicContact CD1-CG2 3.43Å; Y49-V98 VanDerWaalsContact CD1-CG2 3.43Å; Y49-V98 HydrophobicContact CD2-CG2 4.37Å; Y49-V98 HydrophobicContact CE1-CG2 3.6Å; Y49-V98 HydrophobicContact CG-CG2 3.85Å; I94-V98 PolarHBondContact O-N 3.38Å; C95-V98 PolarHBondContact O-N 3.39Å; C95-V98 VanDerWaalsContact O-N 3.12Å; H96-V98 VanDerWaalsContact C-N 3.27Å; V98-L142 PolarHBondContact O-N 3.49Å; V98-L143 HydrophobicContact CG1-CD1 3.53Å; V98-L143 HydrophobicContact CG1-CG 3.79Å; V98-L143 WeakPolarHBondContact O-CB 3.47Å; V98-L143 WeakPolarHBondContact O-CG 3.45Å; V98-L143 PolarHBondContact O-N 3.09Å; V98-M163 HydrophobicContact CG1-CE 3.97Å; V98-Y167 HydrophobicContact CB-CD1 4.09Å; V98-Y167 HydrophobicContact CB-CD2 4.11Å; V98-Y167 HydrophobicContact CB-CE1 4.26Å; V98-Y167 HydrophobicContact CB-CE2 4.32Å; V98-Y167 HydrophobicContact CB-CG 4.05Å; V98-Y167 HydrophobicContact CG1-CD1 4.38Å; V98-Y167 HydrophobicContact CG1-CD2 3.49Å; V98-Y167 VanDerWaalsContact CG1-CD2 3.49Å; V98-Y167 HydrophobicContact CG1-CE2 3.73Å; V98-Y167 HydrophobicContact CG1-CG 3.9Å; V98-Y167 HydrophobicContact CG2-CD1 4.17Å; V98-Y167 HydrophobicContact CG2-CD2 4.48Å; V98-Y167 HydrophobicContact CG2-CE1 3.84Å; V98-Y167 HydrophobicContact CG2-CE2 4.22Å
99L88.6Confident72.7Confident0 Ų069 Ų690%034%0.343CS..SBendtrans-100.9151.5-176-63.6174.7000112.1C95 H96 W101 G141 L143 K164 Y168 L171C95-L99 VanDerWaalsContact O-CB 3.28Å; C95-L99 WeakPolarHBondContact O-CB 3.29Å; C95-L99 WeakPolarHBondContact O-CG 3.23Å; C95-L99 PolarHBondContact O-N 3.01Å; H96-L99 CarbonylContact C-O 3.46Å; L99-W101 PolarHBondContact O-N 3.47Å; L99-G141 VanDerWaalsContact C-CA 3.49Å; L99-G141 WeakPolarHBondContact O-CA 3.41Å; L99-L143 HydrophobicContact CD2-CD1 4.09Å; L99-K164 HydrophobicContact CD2-CB 4.37Å; L99-K164 HydrophobicContact CD2-CG 3.74Å; L99-Y168 HydrophobicContact CD1-CD1 3.76Å; L99-Y168 HydrophobicContact CD1-CD2 4.01Å; L99-Y168 HydrophobicContact CD1-CE1 3.91Å; L99-Y168 HydrophobicContact CD1-CE2 4.15Å; L99-Y168 HydrophobicContact CD1-CG 3.8Å; L99-Y168 HydrophobicContact CD2-CD2 3.83Å; L99-Y168 HydrophobicContact CD2-CE2 3.71Å; L99-Y168 HydrophobicContact CD2-CG 4.45Å; L99-Y168 HydrophobicContact CG-CE2 4.46Å; L99-L171 HydrophobicContact CD1-CD1 3.67Å
100V69.7Low70.3Confident15 Ų1568.5 Ų68.59%0.09134%0.341CS..  trans-64.8135.6164.6177.60000109.2F102 D140 D144V100-F102 HydrophobicContact CG1-CE2 4.32Å; V100-D140 HydrophobicContact CG2-CB 4.45Å; V100-D144 HydrophobicContact CG2-CB 3.33Å; V100-D144 WeakPolarHBondContact CG2-OD2 3.41Å
101W58.8Low68Low134 Ų13470.4 Ų70.451%0.50836%0.359SS..BIsolated β-bridgetrans-122.1122.2167.3-171.263.3000110.7H96 L99 A103H96-W101 HydrophobicContact CB-CB 4.31Å; H96-W101 AromaticContact CD2-CD1 3.85Å; H96-W101 AromaticContact CD2-CG 3.85Å; H96-W101 AromaticContact CE1-CD1 3.66Å; H96-W101 AromaticContact CE1-CD2 3.86Å; H96-W101 AromaticContact CE1-CE2 3.93Å; H96-W101 AromaticContact CE1-CG 3.72Å; H96-W101 AromaticContact CE1-NE1 3.8Å; H96-W101 AromaticContact ND1-CG 3.99Å; H96-W101 AromaticContact NE2-CD1 3.32Å; H96-W101 VanDerWaalsContact NE2-CD1 3.32Å; H96-W101 AromaticContact NE2-CG 3.65Å; H96-W101 AromaticContact NE2-NE1 3.77Å; L99-W101 PolarHBondContact O-N 3.47Å; W101-A103 HydrophobicContact CE3-CB 3.68Å; W101-A103 HydrophobicContact CH2-CB 3.98Å; W101-A103 HydrophobicContact CZ3-CB 3.34Å; W101-A103 PolarHBondContact O-N 3.45Å; W101-A103 VanDerWaalsContact O-N 3.12Å
102F53.3Low65.6Low135 Ų13574.6 Ų74.659%0.59239%0.386SS*.  trans-77.394.1167.3-75.5-76.4000108.6V100 V104 E138V100-F102 HydrophobicContact CG1-CE2 4.32Å; F102-V104 PolarHBondContact O-N 3.12Å; F102-V104 VanDerWaalsContact O-N 3.09Å; F102-E138 HydrophobicContact CE1-CG 4.06Å
103A48.7Very low63.2Low15 Ų1575.3 Ų75.312%0.12440%0.402CS..  trans-64.9110.116200000107.4W101 I105 F137W101-A103 HydrophobicContact CE3-CB 3.68Å; W101-A103 HydrophobicContact CH2-CB 3.98Å; W101-A103 HydrophobicContact CZ3-CB 3.34Å; W101-A103 PolarHBondContact O-N 3.45Å; W101-A103 VanDerWaalsContact O-N 3.12Å; A103-I105 HydrophobicContact CB-CD1 3.82Å; A103-I105 HydrophobicContact CB-CG1 3.97Å; A103-I105 PolarHBondContact O-N 3.31Å; A103-F137 HydrophobicContact CB-CD1 4.45Å
104V43.8Very low61Low104 Ų10482.8 Ų82.863%0.6342%0.424SS*.  trans-7157.3171.3-171.20000109.5F102 C106 F107F102-V104 PolarHBondContact O-N 3.12Å; F102-V104 VanDerWaalsContact O-N 3.09Å; V104-C106 PolarHBondContact O-N 2.88Å; V104-F107 HydrophobicContact CG1-CD2 3.93Å
105I46.6Very low58.6Low63 Ų6389.5 Ų89.532%0.32346%0.459SS..THydrogen-bonded Turntrans-79.5-7.3174.2-73.1172.5000110.5A103 F107 L108 V109 F137A103-I105 HydrophobicContact CB-CD1 3.82Å; A103-I105 HydrophobicContact CB-CG1 3.97Å; A103-I105 PolarHBondContact O-N 3.31Å; I105-F107 VanDerWaalsContact C-N 3.26Å; I105-F107 PolarHBondContact O-N 3.43Å; I105-L108 PolarHBondContact O-N 3.27Å; I105-V109 HydrophobicContact CG2-CG2 3.53Å; I105-V109 WeakPolarHBondContact O-CG2 3.04Å; I105-V109 PolarHBondContact O-N 2.93Å; I105-F137 HydrophobicContact CD1-CD1 4.13Å; I105-F137 HydrophobicContact CD1-CE1 3.5Å; I105-F137 VanDerWaalsContact CD1-CE1 3.5Å; I105-F137 HydrophobicContact CD1-CZ 3.95Å; I105-F137 HydrophobicContact CG2-CE2 4.4Å; I105-F137 HydrophobicContact CG2-CZ 4.38Å
106C44.1Very low56.2Low79 Ų7995.7 Ų95.753%0.53449%0.489SS..Hα-helixtrans-64.7-22.3171.9-84.10000114.5V104V104-C106 PolarHBondContact O-N 2.88Å
107F44.3Very low54.1Low168 Ų168103.6 Ų103.674%0.73752%0.522SS*.Hα-helixtrans-82.2-18.6178.7-101.9-81.9000114.5V104 I105V104-F107 HydrophobicContact CG1-CD2 3.93Å; I105-F107 VanDerWaalsContact C-N 3.26Å; I105-F107 PolarHBondContact O-N 3.43Å
108L44.9Very low52.3Low154 Ų154106.2 Ų106.281%0.80654%0.536SS*.Hα-helixtrans-104.9-22.1-176.1-66.8177.8000113.8I105I105-L108 PolarHBondContact O-N 3.27Å
109V51.2Low50.5Low97 Ų97111.7 Ų111.759%0.58857%0.569SS**Hα-helixtrans-84.7-17-179.4-176.40000112.4I105 P111I105-V109 HydrophobicContact CG2-CG2 3.53Å; I105-V109 WeakPolarHBondContact O-CG2 3.04Å; I105-V109 PolarHBondContact O-N 2.93Å; V109-P111 VanDerWaalsContact C-CD 3.47Å; V109-P111 WeakPolarHBondContact O-CD 3.45Å
110F45.8Very low49Very low113 Ų113115.1 Ų115.150%0.49660%0.598SS.*  trans-112.484.8174.1-82.6-86.6000112.6P112F110-P112 HydrophobicContact CD1-CG 4.46Å; F110-P112 WeakPolarHBondContact O-CD 3.21Å
111P46Very low48.2Very low107 Ų107116.6 Ų116.670%0.69561%0.607SS**G310 helixtrans-65.4-12.1173.124-30.6000117.6V109 C113V109-P111 VanDerWaalsContact C-CD 3.47Å; V109-P111 WeakPolarHBondContact O-CD 3.45Å; P111-C113 VanDerWaalsContact C-N 3.33Å; P111-C113 PolarHBondContact O-N 3.46Å
112P44.3Very low47.7Very low88 Ų88115.1 Ų115.157%0.57161%0.608SS**G310 helixtrans-79.4-7.3-179.828.7-27.5000114.8F110 R114F110-P112 HydrophobicContact CD1-CG 4.46Å; F110-P112 WeakPolarHBondContact O-CD 3.21Å; P112-R114 PolarHBondContact O-N 3.17Å
113C43.2Very low47.7Very low97 Ų97113.6 Ų113.666%0.65561%0.606SS**G310 helixtrans-71.4-7.2177.6-79.30000114.7P111 L115P111-C113 VanDerWaalsContact C-N 3.33Å; P111-C113 PolarHBondContact O-N 3.46Å; C113-L115 VanDerWaalsContact C-N 3.26Å; C113-L115 PolarHBondContact O-N 3.44Å
114R45.3Very low48Very low240 Ų240119.6 Ų119.691%0.90663%0.631SS**G310 helixtrans-73.9-7.7175.5-87.4-171.6-170-136.71.6114.7P112P112-R114 PolarHBondContact O-N 3.17Å
115L43.2Very low48.1Very low159 Ų159122.8 Ų122.883%0.83263%0.633SS**G310 helixtrans-141.835.7-167.9-134.790.3000117.1C113C113-L115 VanDerWaalsContact C-N 3.26Å; C113-L115 PolarHBondContact O-N 3.44Å
116Q45.1Very low48.1Very low131 Ų131123.9 Ų123.961%0.61264%0.639SS**  trans-128.6111171.8-73.2-168.4-17.500113.2N118Q116-N118 VanDerWaalsContact C-N 3.31Å; Q116-N118 PolarHBondContact O-N 3.47Å
117K45.9Very low48.4Very low214 Ų214128.3 Ų128.393%0.9365%0.65SS**  trans-88.328.5178.8-66.5-174176.1-178.10113.7
118N52.8Low48.6Very low117 Ų117127.5 Ų127.563%0.62665%0.652SS**  trans-132.2116.5-178.8-113.4-17.9000112.5Q116 A120 T121Q116-N118 VanDerWaalsContact C-N 3.31Å; Q116-N118 PolarHBondContact O-N 3.47Å; N118-A120 PolarHBondContact O-N 2.9Å; N118-T121 PolarHBondContact O-N 3.49Å
119V54.9Low49Very low115 Ų115123.1 Ų123.170%0.69763%0.63SS**Hα-helixtrans-61.6-26.1-177-169.50000112
120A56.2Low48.8Very low72 Ų72124.6 Ų124.660%0.59563%0.632SS**Hα-helixtrans-69.4-32.8179.900000113.7N118N118-A120 PolarHBondContact O-N 2.9Å
121T54.3Low48.9Very low46 Ų46123.7 Ų123.728%0.28264%0.64SS.*Hα-helixtrans-78.6-27.8-179.7-390000111.6N118 Q124 Y125N118-T121 PolarHBondContact O-N 3.49Å; T121-Q124 PolarHBondContact O-N 2.92Å; T121-Y125 HydrophobicContact CG2-CE2 4.44Å
122L48.8Very low48.8Very low104 Ų104126.1 Ų126.155%0.54564%0.636SS.*Hα-helixtrans-65.3-38.5176.9-145.688.2000111.9Q124 L126L122-Q124 VanDerWaalsContact C-N 3.34Å; L122-Q124 PolarHBondContact O-N 3.19Å; L122-L126 WeakPolarHBondContact O-CD1 3.41Å; L122-L126 PolarHBondContact O-N 3.17Å
123L52.4Low48.6Very low103 Ų103125 Ų12554%0.53963%0.629SS.*Hα-helixtrans-73.5-22.8-179.3-77.3166.3000113.5
124Q55.5Low48.5Very low141 Ų141124.5 Ų124.566%0.65962%0.623SS**Hα-helixtrans-81.8-28.1-178.7-141.8167.95.200112.7T121 L122T121-Q124 PolarHBondContact O-N 2.92Å; L122-Q124 VanDerWaalsContact C-N 3.34Å; L122-Q124 PolarHBondContact O-N 3.19Å
125Y46.1Very low48.3Very low170 Ų170119.8 Ų119.867%0.66761%0.612SS**Hα-helixtrans-80.4-31.8173.2-84.3-86.3000113T121 F127 L128T121-Y125 HydrophobicContact CG2-CE2 4.44Å; Y125-F127 PolarHBondContact O-N 3.01Å; Y125-L128 PolarHBondContact O-N 3.48Å
126L46.1Very low48.1Very low87 Ų87120.6 Ų120.646%0.45561%0.605SS.*Hα-helixtrans-64.3-20.7177.3-85.7159.4000114.2L122 M130L122-L126 WeakPolarHBondContact O-CD1 3.41Å; L122-L126 PolarHBondContact O-N 3.17Å; L126-M130 WeakPolarHBondContact O-CE 3.41Å
127F51.1Low48Very low171 Ų171119 Ų11975%0.7560%0.596SS**THydrogen-bonded Turntrans-97.8-11.4-177.7-92-85.8000115.4Y125Y125-F127 PolarHBondContact O-N 3.01Å
128L48.6Very low48Very low151 Ų151113.1 Ų113.179%0.79157%0.572SS**THydrogen-bonded Turntrans-108.1-12-176.3-84.8154.7000114.4Y125Y125-L128 PolarHBondContact O-N 3.48Å
129D52Low48.1Very low63 Ų63114.6 Ų114.634%0.33757%0.573SS.*SBendtrans-123.67.4-170.6-129.5-20000114.7S131 Y132 C133D129-S131 PolarHBondContact O-N 2.93Å; D129-Y132 PolarHBondContact O-N 3.26Å; D129-Y132 WeakPolarHBondContact OD1-CB 3.49Å; D129-C133 PolarHBondContact O-N 3.2Å; D129-C133 VanDerWaalsContact O-N 3.13Å
130M48.4Very low48.6Very low128 Ų128111.5 Ų111.563%0.63155%0.553SS**Hα-helixtrans-66-21.9-178.9-145.28982.800112.9L126 T134L126-M130 WeakPolarHBondContact O-CE 3.41Å; M130-T134 PolarHBondContact O-OG1 3.4Å; M130-T134 VanDerWaalsContact O-OG1 3.07Å
131S47.5Very low49.9Very low94 Ų94108.2 Ų108.266%0.65753%0.526SS*.Hα-helixtrans-94.3-14.1178.5-163.70000113.9D129 T134D129-S131 PolarHBondContact O-N 2.93Å; S131-T134 PolarHBondContact O-OG1 2.66Å
132Y42.6Very low51.7Low158 Ų158106.3 Ų106.362%0.6251%0.514SS*.Hα-helixtrans-98.2-34.1179.8-106.6-89.4000111.5D129 Q135D129-Y132 PolarHBondContact O-N 3.26Å; D129-Y132 WeakPolarHBondContact OD1-CB 3.49Å; Y132-Q135 PolarHBondContact O-N 3.1Å
133C40.9Very low53.9Low64 Ų64101.3 Ų101.343%0.43249%0.488SS..Hα-helixtrans-66.2-33.9172.7-94.40000113.6D129 Q135D129-C133 PolarHBondContact O-N 3.2Å; D129-C133 VanDerWaalsContact O-N 3.13Å; C133-Q135 PolarHBondContact O-N 3.43Å
134T41.4Very low55.8Low86 Ų8698.5 Ų98.553%0.52847%0.473SS..THydrogen-bonded Turntrans-70.2-16.6177.140.80000113.3M130 S131M130-T134 PolarHBondContact O-OG1 3.4Å; M130-T134 VanDerWaalsContact O-OG1 3.07Å; S131-T134 PolarHBondContact O-OG1 2.66Å
135Q40.6Very low57.4Low141 Ų14197.8 Ų97.866%0.65947%0.465SS*.THydrogen-bonded Turntrans-86.6-9.2-176.4-142173.86.100114Y132 C133Y132-Q135 PolarHBondContact O-N 3.1Å; C133-Q135 PolarHBondContact O-N 3.43Å
136Y38.7Very low59.5Low177 Ų17791.5 Ų91.569%0.69444%0.44SS*.THydrogen-bonded Turntrans-123-13.7-168-86.2-83.3000117.4
137F43.7Very low61.8Low96 Ų9687.6 Ų87.642%0.42142%0.419SS..  trans-152.638.5-174.5-102.5-79.1000116A103 I105 F139A103-F137 HydrophobicContact CB-CD1 4.45Å; I105-F137 HydrophobicContact CD1-CD1 4.13Å; I105-F137 HydrophobicContact CD1-CE1 3.5Å; I105-F137 VanDerWaalsContact CD1-CE1 3.5Å; I105-F137 HydrophobicContact CD1-CZ 3.95Å; I105-F137 HydrophobicContact CG2-CE2 4.4Å; I105-F137 HydrophobicContact CG2-CZ 4.38Å; F137-F139 HydrophobicContact CD1-CD2 4.41Å; F137-F139 HydrophobicContact CD1-CE2 4.47Å; F137-F139 HydrophobicContact CE1-CE2 4.19Å
138E45.7Very low63.8Low92 Ų9281 Ų8143%0.4339%0.392SS..  trans-95.695.8159.9-122.5169.7-17500107.5F102 D140F102-E138 HydrophobicContact CE1-CG 4.06Å; E138-D140 WeakPolarHBondContact CB-OD1 3.16Å; E138-D140 WeakPolarHBondContact CG-OD1 3.34Å; E138-D140 PolarHBondContact O-N 3.05Å
139F54.2Low65.9Low147 Ų14778.2 Ų78.265%0.64538%0.383SS*.BIsolated β-bridgetrans-7583.5165.3-94.3-87000106.6F137 G141F137-F139 HydrophobicContact CD1-CD2 4.41Å; F137-F139 HydrophobicContact CD1-CE2 4.47Å; F137-F139 HydrophobicContact CE1-CE2 4.19Å; F139-G141 PolarHBondContact O-N 3.07Å
140D66.9Low67.8Low51 Ų5178.7 Ų78.727%0.27338%0.382SS..  trans-71.2116.9-177.1-54.7-48.2000110.2V100 E138 R145V100-D140 HydrophobicContact CG2-CB 4.45Å; E138-D140 WeakPolarHBondContact CB-OD1 3.16Å; E138-D140 WeakPolarHBondContact CG-OD1 3.34Å; E138-D140 PolarHBondContact O-N 3.05Å; D140-R145 HydrophobicContact CB-CB 3.54Å; D140-R145 HydrophobicContact CB-CG 4.15Å; D140-R145 IonicContact OD2-NH1 2.73Å
141G82.5Confident70Confident3 Ų373.7 Ų73.73%0.03136%0.36CS..  trans-64.4161.5175.900000112.3L99 F139 L143 D144 R145L99-G141 VanDerWaalsContact C-CA 3.49Å; L99-G141 WeakPolarHBondContact O-CA 3.41Å; F139-G141 PolarHBondContact O-N 3.07Å; G141-L143 PolarHBondContact O-N 3.28Å; G141-L143 VanDerWaalsContact O-N 3.1Å; G141-D144 PolarHBondContact O-N 3.47Å; G141-R145 PolarHBondContact O-N 2.96Å; G141-R145 VanDerWaalsContact O-N 3.14Å
142L92.8Very high72.1Confident5 Ų574.1 Ų74.13%0.02636%0.359CS..Hα-helixtrans-50.9-40.2-177.8-67.5171.8000112.9K28 T31 E32 L45 Y49 D97 V98 Y146 L147K28-L142 HydrophobicContact CB-CD1 4.48Å; K28-L142 HydrophobicContact CG-CD1 4.15Å; K28-L142 HydrophobicContact CG-CD2 4.05Å; T31-L142 HydrophobicContact CG2-CB 4.29Å; T31-L142 HydrophobicContact CG2-CD2 3.71Å; T31-L142 HydrophobicContact CG2-CG 4.5Å; E32-L142 HydrophobicContact CG-CD2 4.03Å; L45-L142 HydrophobicContact CD1-CD1 4.49Å; Y49-L142 HydrophobicContact CE2-CD1 3.87Å; Y49-L142 WeakPolarHBondContact OH-CD1 3.47Å; D97-L142 WeakPolarHBondContact O-CG 3.38Å; D97-L142 PolarHBondContact O-N 2.9Å; V98-L142 PolarHBondContact O-N 3.49Å; L142-Y146 HydrophobicContact CD2-CD2 4.23Å; L142-Y146 WeakPolarHBondContact O-CB 3.39Å; L142-Y146 PolarHBondContact O-N 3.16Å; L142-Y146 VanDerWaalsContact O-N 3.09Å; L142-L147 HydrophobicContact CB-CD1 4.33Å; L142-L147 WeakPolarHBondContact O-CG 3.49Å; L142-L147 PolarHBondContact O-N 3.4Å
143L94.5Very high74.6Confident0 Ų069.1 Ų69.10%035%0.345CS..Iπ-helixtrans-65-54.4-176.9-73.1172.8000112.8V98 L99 G141 L147 I148 Y160 M163 K164V98-L143 HydrophobicContact CG1-CD1 3.53Å; V98-L143 HydrophobicContact CG1-CG 3.79Å; V98-L143 WeakPolarHBondContact O-CB 3.47Å; V98-L143 WeakPolarHBondContact O-CG 3.45Å; V98-L143 PolarHBondContact O-N 3.09Å; L99-L143 HydrophobicContact CD2-CD1 4.09Å; G141-L143 PolarHBondContact O-N 3.28Å; G141-L143 VanDerWaalsContact O-N 3.1Å; L143-L147 HydrophobicContact CD2-CB 4.41Å; L143-L147 HydrophobicContact CD2-CD1 3.84Å; L143-L147 PolarHBondContact O-N 2.73Å; L143-I148 HydrophobicContact CB-CD1 4.06Å; L143-I148 HydrophobicContact CB-CG1 4.47Å; L143-I148 WeakPolarHBondContact O-CB 3.23Å; L143-I148 WeakPolarHBondContact O-CG1 3.46Å; L143-I148 PolarHBondContact O-N 3.37Å; L143-Y160 HydrophobicContact CD2-CD1 4.04Å; L143-Y160 HydrophobicContact CD2-CG 4.34Å; L143-M163 HydrophobicContact CD1-CB 4.32Å; L143-M163 HydrophobicContact CD1-CG 4.27Å; L143-M163 HydrophobicContact CD2-CB 4.22Å; L143-M163 HydrophobicContact CD2-CG 4.33Å; L143-M163 HydrophobicContact CD2-SD 4.1Å; L143-K164 HydrophobicContact CD1-CB 3.8Å; L143-K164 HydrophobicContact CD1-CG 4.38Å
144D91.2Very high77.2Confident43 Ų4368.1 Ų68.123%0.2334%0.338CS..Iπ-helixtrans-79.1-27.6-172.1-65.6-49.5000112.7V100 G141 P149 K164V100-D144 HydrophobicContact CG2-CB 3.33Å; V100-D144 WeakPolarHBondContact CG2-OD2 3.41Å; G141-D144 PolarHBondContact O-N 3.47Å; D144-P149 VanDerWaalsContact O-CD 3.22Å; D144-P149 WeakPolarHBondContact O-CD 3.45Å; D144-P149 WeakPolarHBondContact O-CG 3.36Å; D144-K164 VanDerWaalsContact CG-NZ 3.31Å; D144-K164 IonicContact OD1-NZ 3.75Å; D144-K164 PolarHBondContact OD1-NZ 3.36Å; D144-K164 IonicContact OD2-NZ 3.96Å; D144-K164 PolarHBondContact OD2-NZ 3.46Å; D144-K164 VanDerWaalsContact OD2-NZ 3.14Å
145R89.3Confident79.8Confident127 Ų12767.1 Ų67.148%0.47933%0.327SS..Iπ-helixtrans-86.7-43.7178.8-176.8161174.8173.43.8114.5D140 G141D140-R145 HydrophobicContact CB-CB 3.54Å; D140-R145 HydrophobicContact CB-CG 4.15Å; D140-R145 IonicContact OD2-NH1 2.73Å; G141-R145 PolarHBondContact O-N 2.96Å; G141-R145 VanDerWaalsContact O-N 3.14Å
146Y91.2Very high82.4Confident38 Ų3860.4 Ų60.415%0.14930%0.296CS..Iπ-helixtrans-111.3-28.4-165.3-62.6-82.9000113.3T31 E32 L142 K150T31-Y146 HydrophobicContact CG2-CG 4.18Å; T31-Y146 WeakPolarHBondContact O-CD1 3.44Å; E32-Y146 HydrophobicContact CB-CE1 4.45Å; E32-Y146 HydrophobicContact CG-CE2 4.06Å; E32-Y146 VanDerWaalsContact O-CE1 3.3Å; E32-Y146 WeakPolarHBondContact O-CE1 3.44Å; L142-Y146 HydrophobicContact CD2-CD2 4.23Å; L142-Y146 WeakPolarHBondContact O-CB 3.39Å; L142-Y146 PolarHBondContact O-N 3.16Å; L142-Y146 VanDerWaalsContact O-N 3.09Å; Y146-K150 WeakPolarHBondContact O-CD 3.49Å
147L94Very high85.1Confident4 Ų455.3 Ų55.32%0.02128%0.277CS..Iπ-helixtrans-107.9-61.7-166.6-59.7171.9000113.2T31 L37 L45 L142 L143 K150 A151 Y160T31-L147 HydrophobicContact CG2-CD1 4.17Å; T31-L147 HydrophobicContact CG2-CD2 3.68Å; T31-L147 HydrophobicContact CG2-CG 3.84Å; L37-L147 HydrophobicContact CD1-CD2 3.62Å; L37-L147 HydrophobicContact CG-CD2 3.9Å; L45-L147 HydrophobicContact CD2-CD1 3.62Å; L142-L147 HydrophobicContact CB-CD1 4.33Å; L142-L147 WeakPolarHBondContact O-CG 3.49Å; L142-L147 PolarHBondContact O-N 3.4Å; L143-L147 HydrophobicContact CD2-CB 4.41Å; L143-L147 HydrophobicContact CD2-CD1 3.84Å; L143-L147 PolarHBondContact O-N 2.73Å; L147-K150 CarbonylContact O-C 3.56Å; L147-K150 PolarHBondContact O-N 2.96Å; L147-A151 PolarHBondContact O-N 2.84Å; L147-A151 VanDerWaalsContact O-N 3.1Å; L147-Y160 HydrophobicContact CB-CD1 3.87Å; L147-Y160 HydrophobicContact CB-CD2 4.01Å; L147-Y160 HydrophobicContact CB-CE1 3.85Å; L147-Y160 HydrophobicContact CB-CE2 3.98Å; L147-Y160 HydrophobicContact CB-CG 3.97Å; L147-Y160 HydrophobicContact CD1-CD1 4.11Å; L147-Y160 HydrophobicContact CD1-CE1 3.97Å; L147-Y160 HydrophobicContact CD2-CE1 3.93Å; L147-Y160 HydrophobicContact CG-CD1 4.45Å; L147-Y160 HydrophobicContact CG-CE1 4.13Å
148I94Very high87.7Confident33 Ų3350.7 Ų50.717%0.16926%0.257CS..G310 helixtrans-58.2-46.7-176.2-66.8169.8000111.8L143 K150 A151 L161 K164L143-I148 HydrophobicContact CB-CD1 4.06Å; L143-I148 HydrophobicContact CB-CG1 4.47Å; L143-I148 WeakPolarHBondContact O-CB 3.23Å; L143-I148 WeakPolarHBondContact O-CG1 3.46Å; L143-I148 PolarHBondContact O-N 3.37Å; I148-K150 PolarHBondContact O-N 3.49Å; I148-K150 VanDerWaalsContact O-N 3.17Å; I148-A151 WeakPolarHBondContact O-CB 3.2Å; I148-A151 PolarHBondContact O-N 3.23Å; I148-L161 HydrophobicContact CD1-CD2 4.13Å; I148-K164 HydrophobicContact CD1-CD 3.97Å
149P92.6Very high90.1Very high93 Ų9347.8 Ų47.860%0.60424%0.243SC*.G310 helixtrans-65-20.1178.9-2233.8000114.2D144D144-P149 VanDerWaalsContact O-CD 3.22Å; D144-P149 WeakPolarHBondContact O-CD 3.45Å; D144-P149 WeakPolarHBondContact O-CG 3.36Å
150K91.3Very high92.1Very high73 Ų7340.9 Ų40.932%0.31721%0.213SC..G310 helixtrans-101-0.3-178.6-63.6-172.5-175.9150.80113.1G34 E36 Y146 L147 I148 T152G34-K150 VanDerWaalsContact C-NZ 3.29Å; G34-K150 WeakPolarHBondContact O-CD 3.27Å; G34-K150 WeakPolarHBondContact O-CE 3.41Å; G34-K150 PolarHBondContact O-NZ 3.45Å; E36-K150 VanDerWaalsContact CD-O 3.31Å; E36-K150 VanDerWaalsContact OE1-O 3.12Å; Y146-K150 WeakPolarHBondContact O-CD 3.49Å; L147-K150 CarbonylContact O-C 3.56Å; L147-K150 PolarHBondContact O-N 2.96Å; I148-K150 PolarHBondContact O-N 3.49Å; I148-K150 VanDerWaalsContact O-N 3.17Å; K150-T152 PolarHBondContact O-N 3.3Å; K150-T152 VanDerWaalsContact O-N 3.09Å
151A93.4Very high93.6Very high22 Ų2238.6 Ų38.618%0.18220%0.2CC..  trans-68.4105.6179.100000110.5L147 I148 S156 K157 Y160L147-A151 PolarHBondContact O-N 2.84Å; L147-A151 VanDerWaalsContact O-N 3.1Å; I148-A151 WeakPolarHBondContact O-CB 3.2Å; I148-A151 PolarHBondContact O-N 3.23Å; A151-S156 WeakPolarHBondContact CA-OG 3.5Å; A151-S156 WeakPolarHBondContact CB-OG 3.39Å; A151-K157 HydrophobicContact CB-CB 4Å; A151-Y160 HydrophobicContact CB-CD2 3.92Å; A151-Y160 HydrophobicContact CB-CE2 4.12Å
152T93.5Very high94.3Very high103 Ų10340.3 Ų40.363%0.63221%0.207SC*.  trans-88.4-23.3-177.256.50000113.8E36 K150 S156E36-T152 PolarHBondContact OE1-N 2.86Å; E36-T152 PolarHBondContact OE1-OG1 2.95Å; K150-T152 PolarHBondContact O-N 3.3Å; K150-T152 VanDerWaalsContact O-N 3.09Å; T152-S156 PolarHBondContact N-OG 2.93Å
153T94.7Very high94.5Very high53 Ų5340.5 Ų40.533%0.32521%0.208SC..SBendtrans-111.9152.5-178.687.60000112.3E155 S156 K157T153-E155 WeakPolarHBondContact CB-OE2 3.44Å; T153-E155 PolarHBondContact O-N 2.88Å; T153-E155 PolarHBondContact OG1-N 2.95Å; T153-E155 PolarHBondContact OG1-OE2 2.86Å; T153-S156 PolarHBondContact N-OG 3.28Å; T153-S156 VanDerWaalsContact N-OG 3.16Å; T153-S156 PolarHBondContact O-N 2.87Å; T153-S156 VanDerWaalsContact O-N 3.17Å; T153-S156 PolarHBondContact O-OG 3.46Å; T153-S156 PolarHBondContact OG1-N 3.08Å; T153-S156 PolarHBondContact OG1-OG 3.37Å; T153-K157 PolarHBondContact O-N 3.02Å
154P95.9Very high94.6Very high44 Ų4442.6 Ų42.629%0.28622%0.217SC..Hα-helixtrans-54-40.5174.1-24.834.3000113S156 K157 V158 K201P154-S156 PolarHBondContact O-N 2.96Å; P154-K157 PolarHBondContact O-N 3.38Å; P154-V158 WeakPolarHBondContact O-CB 3.47Å; P154-V158 VanDerWaalsContact O-CG2 3.25Å; P154-V158 WeakPolarHBondContact O-CG2 3.23Å; P154-V158 PolarHBondContact O-N 3.19Å; P154-K201 HydrophobicContact CB-CB 3.6Å; P154-K201 HydrophobicContact CB-CG 4.17Å; P154-K201 HydrophobicContact CG-CB 3.83Å; P154-K201 HydrophobicContact CG-CG 4.11Å
155E95.2Very high94.9Very high65 Ų6540.5 Ų40.530%0.30421%0.206SC..Hα-helixtrans-60.7-46.5178.6-58.280.2-176.700111.2T153 F159 M202 I208T153-E155 WeakPolarHBondContact CB-OE2 3.44Å; T153-E155 PolarHBondContact O-N 2.88Å; T153-E155 PolarHBondContact OG1-N 2.95Å; T153-E155 PolarHBondContact OG1-OE2 2.86Å; E155-F159 WeakPolarHBondContact O-CB 3.33Å; E155-F159 PolarHBondContact O-N 3.44Å; E155-M202 HydrophobicContact CB-CE 4.49Å; E155-M202 HydrophobicContact CG-CE 4.05Å; E155-I208 HydrophobicContact CB-CD1 4.06Å
156S94.9Very high95.2Very high0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-64.7-42.6177.968.80000112R42 A151 T152 T153 P154 F159 Y160R42-S156 VanDerWaalsContact NH2-CB 3.33Å; A151-S156 WeakPolarHBondContact CA-OG 3.5Å; A151-S156 WeakPolarHBondContact CB-OG 3.39Å; T152-S156 PolarHBondContact N-OG 2.93Å; T153-S156 PolarHBondContact N-OG 3.28Å; T153-S156 VanDerWaalsContact N-OG 3.16Å; T153-S156 PolarHBondContact O-N 2.87Å; T153-S156 VanDerWaalsContact O-N 3.17Å; T153-S156 PolarHBondContact O-OG 3.46Å; T153-S156 PolarHBondContact OG1-N 3.08Å; T153-S156 PolarHBondContact OG1-OG 3.37Å; P154-S156 PolarHBondContact O-N 2.96Å; S156-F159 PolarHBondContact O-N 3.38Å; S156-Y160 WeakPolarHBondContact O-CD2 3.43Å; S156-Y160 PolarHBondContact O-N 3.42Å
157K96.7Very high95.5Very high69 Ų6933.4 Ų33.430%0.318%0.18SC..Hα-helixtrans-64.5-48.7179.3-176170.2177.9179.60111.2A151 T153 P154 F159 Y160 L161 E193 V197A151-K157 HydrophobicContact CB-CB 4Å; T153-K157 PolarHBondContact O-N 3.02Å; P154-K157 PolarHBondContact O-N 3.38Å; K157-F159 VanDerWaalsContact C-N 3.31Å; K157-F159 PolarHBondContact O-N 3.05Å; K157-Y160 PolarHBondContact O-N 2.92Å; K157-L161 HydrophobicContact CD-CD1 4.48Å; K157-L161 HydrophobicContact CG-CD1 3.9Å; K157-L161 HydrophobicContact CG-CG 4.44Å; K157-L161 WeakPolarHBondContact O-CB 3.3Å; K157-L161 WeakPolarHBondContact O-CG 3.32Å; K157-L161 PolarHBondContact O-N 2.89Å; K157-E193 VanDerWaalsContact CE-OE1 3.23Å; K157-E193 WeakPolarHBondContact CE-OE1 3.35Å; K157-E193 IonicContact NZ-OE1 2.78Å; K157-E193 PolarHBondContact NZ-OE1 2.77Å; K157-V197 HydrophobicContact CD-CG2 4.45Å
158V97.7Very high95.6Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-62.5-40.4177.6175.10000110.8P154 Y160 K162 A194 V197 A198 M202 I208 L212P154-V158 WeakPolarHBondContact O-CB 3.47Å; P154-V158 VanDerWaalsContact O-CG2 3.25Å; P154-V158 WeakPolarHBondContact O-CG2 3.23Å; P154-V158 PolarHBondContact O-N 3.19Å; V158-Y160 PolarHBondContact O-N 3.3Å; V158-K162 WeakPolarHBondContact O-CB 3.35Å; V158-K162 PolarHBondContact O-N 2.95Å; V158-A194 HydrophobicContact CG1-CB 4.42Å; V158-V197 HydrophobicContact CG2-CB 3.82Å; V158-V197 HydrophobicContact CG2-CG1 3.59Å; V158-A198 HydrophobicContact CG1-CB 4.01Å; V158-A198 HydrophobicContact CG2-CB 3.99Å; V158-M202 HydrophobicContact CB-SD 3.99Å; V158-M202 HydrophobicContact CG1-SD 4.19Å; V158-M202 HydrophobicContact CG2-SD 3.75Å; V158-I208 HydrophobicContact CB-CG2 4.23Å; V158-I208 HydrophobicContact CG1-CG2 3.7Å; V158-L212 HydrophobicContact CG1-CD2 4Å
159F95.7Very high95.8Very high30 Ų3033.3 Ų33.313%0.13218%0.177CC..Hα-helixtrans-58.3-49.5176.7-173.4-78.2000112R42 E155 S156 K157 M163 I208R42-F159 HydrophobicContact CG-CD1 3.66Å; R42-F159 HydrophobicContact CG-CE1 3.39Å; R42-F159 HydrophobicContact CG-CE2 4.45Å; R42-F159 HydrophobicContact CG-CG 4.31Å; R42-F159 HydrophobicContact CG-CZ 3.8Å; E155-F159 WeakPolarHBondContact O-CB 3.33Å; E155-F159 PolarHBondContact O-N 3.44Å; S156-F159 PolarHBondContact O-N 3.38Å; K157-F159 VanDerWaalsContact C-N 3.31Å; K157-F159 PolarHBondContact O-N 3.05Å; F159-M163 HydrophobicContact CE1-SD 4.42Å; F159-M163 WeakPolarHBondContact O-CB 3.23Å; F159-M163 PolarHBondContact O-N 3.47Å; F159-I208 HydrophobicContact CD2-CD1 4.25Å
160Y96.6Very high96Very high2 Ų229.7 Ų29.71%0.00815%0.152CC..Hα-helixtrans-71-38-178.4-62.1-46.4000112.9R42 L143 L147 A151 S156 K157 V158 M163 K164R42-Y160 HydrophobicContact CG-CE1 3.66Å; R42-Y160 PolarHBondContact NE-OH 3.27Å; L143-Y160 HydrophobicContact CD2-CD1 4.04Å; L143-Y160 HydrophobicContact CD2-CG 4.34Å; L147-Y160 HydrophobicContact CB-CD1 3.87Å; L147-Y160 HydrophobicContact CB-CD2 4.01Å; L147-Y160 HydrophobicContact CB-CE1 3.85Å; L147-Y160 HydrophobicContact CB-CE2 3.98Å; L147-Y160 HydrophobicContact CB-CG 3.97Å; L147-Y160 HydrophobicContact CD1-CD1 4.11Å; L147-Y160 HydrophobicContact CD1-CE1 3.97Å; L147-Y160 HydrophobicContact CD2-CE1 3.93Å; L147-Y160 HydrophobicContact CG-CD1 4.45Å; L147-Y160 HydrophobicContact CG-CE1 4.13Å; A151-Y160 HydrophobicContact CB-CD2 3.92Å; A151-Y160 HydrophobicContact CB-CE2 4.12Å; S156-Y160 WeakPolarHBondContact O-CD2 3.43Å; S156-Y160 PolarHBondContact O-N 3.42Å; K157-Y160 PolarHBondContact O-N 2.92Å; V158-Y160 PolarHBondContact O-N 3.3Å; Y160-M163 WeakPolarHBondContact O-CB 3.5Å; Y160-M163 PolarHBondContact O-N 3.33Å; Y160-K164 PolarHBondContact O-N 2.86Å
161L97.4Very high96.1Very high3 Ų326.7 Ų26.72%0.01614%0.139CC..Hα-helixtrans-66.9-40.9175.1-71.1172000112I148 K157 M163 K164 G165 E193 A194I148-L161 HydrophobicContact CD1-CD2 4.13Å; K157-L161 HydrophobicContact CD-CD1 4.48Å; K157-L161 HydrophobicContact CG-CD1 3.9Å; K157-L161 HydrophobicContact CG-CG 4.44Å; K157-L161 WeakPolarHBondContact O-CB 3.3Å; K157-L161 WeakPolarHBondContact O-CG 3.32Å; K157-L161 PolarHBondContact O-N 2.89Å; L161-M163 VanDerWaalsContact C-N 3.29Å; L161-M163 PolarHBondContact O-N 3.23Å; L161-K164 WeakPolarHBondContact O-CB 3.45Å; L161-K164 PolarHBondContact O-N 3.38Å; L161-K164 VanDerWaalsContact O-N 3.17Å; L161-G165 PolarHBondContact O-N 3.24Å; L161-E193 HydrophobicContact CD1-CB 4.11Å; L161-E193 HydrophobicContact CD1-CG 3.73Å; L161-E193 WeakPolarHBondContact CD2-OE2 3.32Å; L161-A194 HydrophobicContact CB-CB 3.65Å; L161-A194 HydrophobicContact CD1-CB 4.49Å
162K97.4Very high96.2Very high39 Ų3925.6 Ų25.617%0.1713%0.13CC..Hα-helixtrans-57.2-46.5170.8178.9-170.2174.2-67.60110.5V158 K164 G165 D166 Y191 G211 L212 N215V158-K162 WeakPolarHBondContact O-CB 3.35Å; V158-K162 PolarHBondContact O-N 2.95Å; K162-K164 VanDerWaalsContact C-N 3.31Å; K162-K164 PolarHBondContact O-N 3.43Å; K162-G165 PolarHBondContact O-N 2.84Å; K162-D166 IonicContact NZ-OD2 2.75Å; K162-D166 PolarHBondContact NZ-OD2 3.41Å; K162-D166 PolarHBondContact O-N 2.78Å; K162-Y191 HydrophobicContact CG-CE1 4.46Å; K162-G211 WeakPolarHBondContact CE-O 3.37Å; K162-L212 HydrophobicContact CB-CD1 4.03Å; K162-L212 HydrophobicContact CD-CB 4.12Å; K162-L212 HydrophobicContact CG-CB 4.37Å; K162-L212 HydrophobicContact CG-CD1 4Å; K162-N215 PolarHBondContact NZ-ND2 3.34Å
163M96.7Very high96.3Very high9 Ų922.1 Ų22.14%0.04411%0.107CC..Hα-helixtrans-59.4-44176.7-166.2173.1176.800110.5V98 L143 F159 Y160 L161 G165 D166 Y167V98-M163 HydrophobicContact CG1-CE 3.97Å; L143-M163 HydrophobicContact CD1-CB 4.32Å; L143-M163 HydrophobicContact CD1-CG 4.27Å; L143-M163 HydrophobicContact CD2-CB 4.22Å; L143-M163 HydrophobicContact CD2-CG 4.33Å; L143-M163 HydrophobicContact CD2-SD 4.1Å; F159-M163 HydrophobicContact CE1-SD 4.42Å; F159-M163 WeakPolarHBondContact O-CB 3.23Å; F159-M163 PolarHBondContact O-N 3.47Å; Y160-M163 WeakPolarHBondContact O-CB 3.5Å; Y160-M163 PolarHBondContact O-N 3.33Å; L161-M163 VanDerWaalsContact C-N 3.29Å; L161-M163 PolarHBondContact O-N 3.23Å; M163-G165 PolarHBondContact O-N 2.89Å; M163-D166 WeakPolarHBondContact O-CB 3.48Å; M163-D166 PolarHBondContact O-N 2.61Å; M163-D166 VanDerWaalsContact O-N 3.12Å; M163-Y167 HydrophobicContact CE-CE2 3.59Å; M163-Y167 HydrophobicContact CG-CD2 3.86Å; M163-Y167 HydrophobicContact CG-CE2 3.57Å; M163-Y167 WeakPolarHBondContact O-CD2 3.43Å; M163-Y167 PolarHBondContact O-N 3.27Å; M163-Y167 HydrophobicContact SD-CE2 4.44Å
164K96.5Very high96.2Very high44 Ų4419.9 Ų19.919%0.1919%0.093CC..Hα-helixtrans-56.1-49.2174.9-168.6171.1-178.2168.20111.8L99 L143 D144 I148 Y160 L161 K162 D166 Y167 Y168 A190L99-K164 HydrophobicContact CD2-CB 4.37Å; L99-K164 HydrophobicContact CD2-CG 3.74Å; L143-K164 HydrophobicContact CD1-CB 3.8Å; L143-K164 HydrophobicContact CD1-CG 4.38Å; D144-K164 VanDerWaalsContact CG-NZ 3.31Å; D144-K164 IonicContact OD1-NZ 3.75Å; D144-K164 PolarHBondContact OD1-NZ 3.36Å; D144-K164 IonicContact OD2-NZ 3.96Å; D144-K164 PolarHBondContact OD2-NZ 3.46Å; D144-K164 VanDerWaalsContact OD2-NZ 3.14Å; I148-K164 HydrophobicContact CD1-CD 3.97Å; Y160-K164 PolarHBondContact O-N 2.86Å; L161-K164 WeakPolarHBondContact O-CB 3.45Å; L161-K164 PolarHBondContact O-N 3.38Å; L161-K164 VanDerWaalsContact O-N 3.17Å; K162-K164 VanDerWaalsContact C-N 3.31Å; K162-K164 PolarHBondContact O-N 3.43Å; K164-D166 VanDerWaalsContact C-N 3.34Å; K164-D166 PolarHBondContact O-N 3.48Å; K164-Y167 PolarHBondContact O-N 2.73Å; K164-Y168 HydrophobicContact CD-CE2 4.42Å; K164-Y168 HydrophobicContact CG-CD2 3.94Å; K164-Y168 HydrophobicContact CG-CE2 3.83Å; K164-Y168 WeakPolarHBondContact O-CD2 3.45Å; K164-Y168 PolarHBondContact O-N 3.19Å; K164-Y168 VanDerWaalsContact O-N 3.09Å; K164-A190 HydrophobicContact CB-CB 4Å; K164-A190 HydrophobicContact CD-CB 4.25Å; K164-A190 HydrophobicContact CG-CB 3.95Å
165G97.2Very high96Very high0 Ų018.4 Ų18.40%09%0.085CC..Hα-helixtrans-59-43174.700000112.5L161 K162 M163 Y167 Y168 R169 S187L161-G165 PolarHBondContact O-N 3.24Å; K162-G165 PolarHBondContact O-N 2.84Å; M163-G165 PolarHBondContact O-N 2.89Å; G165-Y167 PolarHBondContact O-N 2.96Å; G165-Y168 PolarHBondContact O-N 3.32Å; G165-R169 WeakPolarHBondContact O-CB 3.37Å; G165-R169 PolarHBondContact O-N 3.09Å; G165-S187 PolarHBondContact O-OG 2.74Å; G165-S187 VanDerWaalsContact O-OG 3.11Å
166D97.4Very high95.6Very high10 Ų1021.1 Ų21.15%0.05311%0.106CC..Hα-helixtrans-59.5-46.5177.9-75.3-33.9000112.7K162 M163 K164 R169 Y170 Y191 N215K162-D166 IonicContact NZ-OD2 2.75Å; K162-D166 PolarHBondContact NZ-OD2 3.41Å; K162-D166 PolarHBondContact O-N 2.78Å; M163-D166 WeakPolarHBondContact O-CB 3.48Å; M163-D166 PolarHBondContact O-N 2.61Å; M163-D166 VanDerWaalsContact O-N 3.12Å; K164-D166 VanDerWaalsContact C-N 3.34Å; K164-D166 PolarHBondContact O-N 3.48Å; D166-R169 WeakPolarHBondContact O-CB 3.15Å; D166-R169 PolarHBondContact O-N 2.83Å; D166-R169 IonicContact OD1-CZ 3.51Å; D166-R169 IonicContact OD1-NE 3.59Å; D166-R169 IonicContact OD1-NH2 2.95Å; D166-R169 PolarHBondContact OD1-NH2 2.97Å; D166-Y170 HydrophobicContact CB-CE2 4.05Å; D166-Y170 VanDerWaalsContact O-CD1 3.32Å; D166-Y170 WeakPolarHBondContact O-CD1 3.37Å; D166-Y170 WeakPolarHBondContact O-CD2 3.45Å; D166-Y170 WeakPolarHBondContact O-CE2 3.24Å; D166-Y170 PolarHBondContact O-N 2.97Å; D166-Y191 VanDerWaalsContact CA-OH 3.3Å; D166-Y191 WeakPolarHBondContact CA-OH 3.36Å; D166-Y191 PolarHBondContact N-OH 2.99Å; D166-Y191 PolarHBondContact OD1-OH 3.14Å; D166-N215 VanDerWaalsContact CG-ND2 3.29Å; D166-N215 WeakPolarHBondContact OD1-CB 3.4Å; D166-N215 PolarHBondContact OD1-ND2 3.15Å; D166-N215 PolarHBondContact OD2-ND2 3.02Å
167Y96.9Very high95.3Very high5 Ų523.9 Ų23.92%0.0213%0.134CC..Hα-helixtrans-71.4-36.1179.8-76.3-85.2000113Y49 V53 C95 V98 M163 K164 G165 R169 Y170 L171Y49-Y167 VanDerWaalsContact C-OH 3.27Å; Y49-Y167 WeakPolarHBondContact CB-OH 3.48Å; V53-Y167 HydrophobicContact CB-CE1 4.28Å; V53-Y167 HydrophobicContact CG1-CE1 4.15Å; V53-Y167 HydrophobicContact CG2-CE1 4.43Å; C95-Y167 HydrophobicContact CB-CD1 4.18Å; V98-Y167 HydrophobicContact CB-CD1 4.09Å; V98-Y167 HydrophobicContact CB-CD2 4.11Å; V98-Y167 HydrophobicContact CB-CE1 4.26Å; V98-Y167 HydrophobicContact CB-CE2 4.32Å; V98-Y167 HydrophobicContact CB-CG 4.05Å; V98-Y167 HydrophobicContact CG1-CD1 4.38Å; V98-Y167 HydrophobicContact CG1-CD2 3.49Å; V98-Y167 VanDerWaalsContact CG1-CD2 3.49Å; V98-Y167 HydrophobicContact CG1-CE2 3.73Å; V98-Y167 HydrophobicContact CG1-CG 3.9Å; V98-Y167 HydrophobicContact CG2-CD1 4.17Å; V98-Y167 HydrophobicContact CG2-CD2 4.48Å; V98-Y167 HydrophobicContact CG2-CE1 3.84Å; V98-Y167 HydrophobicContact CG2-CE2 4.22Å; M163-Y167 HydrophobicContact CE-CE2 3.59Å; M163-Y167 HydrophobicContact CG-CD2 3.86Å; M163-Y167 HydrophobicContact CG-CE2 3.57Å; M163-Y167 WeakPolarHBondContact O-CD2 3.43Å; M163-Y167 PolarHBondContact O-N 3.27Å; M163-Y167 HydrophobicContact SD-CE2 4.44Å; K164-Y167 PolarHBondContact O-N 2.73Å; G165-Y167 PolarHBondContact O-N 2.96Å; Y167-R169 VanDerWaalsContact C-N 3.31Å; Y167-Y170 AromaticContact CD1-CD2 3.85Å; Y167-Y170 HydrophobicContact CD1-CD2 3.85Å; Y167-Y170 HydrophobicContact CD1-CE2 4.24Å; Y167-Y170 HydrophobicContact CE1-CD2 4.15Å; Y167-Y170 HydrophobicContact CE1-CE2 4.24Å; Y167-Y170 HydrophobicContact CG-CD2 4.17Å; Y167-Y170 HydrophobicContact CG-CE2 4.38Å; Y167-Y170 PolarHBondContact O-N 2.87Å; Y167-L171 PolarHBondContact O-N 2.93Å
168Y96.4Very high94.6Very high25 Ų2527.9 Ų27.910%0.09816%0.159CC..Hα-helixtrans-66.7-36.9172.9-83-62.9000111.2L99 K164 G165 L171 A172 I183 N186L99-Y168 HydrophobicContact CD1-CD1 3.76Å; L99-Y168 HydrophobicContact CD1-CD2 4.01Å; L99-Y168 HydrophobicContact CD1-CE1 3.91Å; L99-Y168 HydrophobicContact CD1-CE2 4.15Å; L99-Y168 HydrophobicContact CD1-CG 3.8Å; L99-Y168 HydrophobicContact CD2-CD2 3.83Å; L99-Y168 HydrophobicContact CD2-CE2 3.71Å; L99-Y168 HydrophobicContact CD2-CG 4.45Å; L99-Y168 HydrophobicContact CG-CE2 4.46Å; K164-Y168 HydrophobicContact CD-CE2 4.42Å; K164-Y168 HydrophobicContact CG-CD2 3.94Å; K164-Y168 HydrophobicContact CG-CE2 3.83Å; K164-Y168 WeakPolarHBondContact O-CD2 3.45Å; K164-Y168 PolarHBondContact O-N 3.19Å; K164-Y168 VanDerWaalsContact O-N 3.09Å; G165-Y168 PolarHBondContact O-N 3.32Å; Y168-L171 HydrophobicContact CD1-CD1 4.22Å; Y168-L171 WeakPolarHBondContact O-CB 3.28Å; Y168-L171 PolarHBondContact O-N 3.35Å; Y168-A172 WeakPolarHBondContact O-CB 3.42Å; Y168-A172 PolarHBondContact O-N 2.76Å; Y168-I183 HydrophobicContact CD1-CG2 4.23Å; Y168-I183 VanDerWaalsContact O-CG2 3.23Å; Y168-I183 WeakPolarHBondContact O-CG2 3.36Å; Y168-N186 HydrophobicContact CD1-CB 3.77Å; Y168-N186 HydrophobicContact CD2-CB 3.84Å; Y168-N186 HydrophobicContact CE1-CB 3.72Å; Y168-N186 HydrophobicContact CE2-CB 3.79Å; Y168-N186 HydrophobicContact CG-CB 3.84Å
169R97.4Very high93.9Very high11 Ų1133.4 Ų33.44%0.04219%0.188CC..Hα-helixtrans-59.8-44.7170.9173.2169.461.274.45111.8G165 D166 Y167 L171 A172 E173 S187 Y191 F219 I223G165-R169 WeakPolarHBondContact O-CB 3.37Å; G165-R169 PolarHBondContact O-N 3.09Å; D166-R169 WeakPolarHBondContact O-CB 3.15Å; D166-R169 PolarHBondContact O-N 2.83Å; D166-R169 IonicContact OD1-CZ 3.51Å; D166-R169 IonicContact OD1-NE 3.59Å; D166-R169 IonicContact OD1-NH2 2.95Å; D166-R169 PolarHBondContact OD1-NH2 2.97Å; Y167-R169 VanDerWaalsContact C-N 3.31Å; R169-L171 VanDerWaalsContact C-N 3.31Å; R169-L171 PolarHBondContact O-N 2.87Å; R169-A172 WeakPolarHBondContact O-CB 3.32Å; R169-A172 PolarHBondContact O-N 2.56Å; R169-A172 VanDerWaalsContact O-N 3.09Å; R169-E173 IonicContact NH1-OE1 2.78Å; R169-E173 PolarHBondContact NH1-OE1 3.16Å; R169-E173 WeakPolarHBondContact O-CG 3.33Å; R169-E173 PolarHBondContact O-N 3.29Å; R169-S187 PolarHBondContact N-OG 3.42Å; R169-Y191 HydrophobicContact CB-CE2 4.43Å; R169-Y191 PolarHBondContact NE-OH 3.41Å; R169-F219 HydrophobicContact CB-CD2 4.2Å; R169-F219 HydrophobicContact CG-CD2 4.21Å; R169-I223 HydrophobicContact CG-CD1 4.16Å; R169-I223 HydrophobicContact CG-CG1 3.87Å
170Y96.4Very high93.7Very high17 Ų1735.6 Ų35.67%0.06720%0.196CC..Hα-helixtrans-62.2-38.4176.9-54.2-32.9000112.4V53 D166 Y167 E173V53-Y170 HydrophobicContact CG1-CD2 3.95Å; V53-Y170 HydrophobicContact CG1-CE2 3.79Å; V53-Y170 HydrophobicContact CG2-CD2 3.92Å; V53-Y170 HydrophobicContact CG2-CG 4.39Å; D166-Y170 HydrophobicContact CB-CE2 4.05Å; D166-Y170 VanDerWaalsContact O-CD1 3.32Å; D166-Y170 WeakPolarHBondContact O-CD1 3.37Å; D166-Y170 WeakPolarHBondContact O-CD2 3.45Å; D166-Y170 WeakPolarHBondContact O-CE2 3.24Å; D166-Y170 PolarHBondContact O-N 2.97Å; Y167-Y170 AromaticContact CD1-CD2 3.85Å; Y167-Y170 HydrophobicContact CD1-CD2 3.85Å; Y167-Y170 HydrophobicContact CD1-CE2 4.24Å; Y167-Y170 HydrophobicContact CE1-CD2 4.15Å; Y167-Y170 HydrophobicContact CE1-CE2 4.24Å; Y167-Y170 HydrophobicContact CG-CD2 4.17Å; Y167-Y170 HydrophobicContact CG-CE2 4.38Å; Y167-Y170 PolarHBondContact O-N 2.87Å; Y170-E173 PolarHBondContact O-N 2.96Å
171L94.6Very high93.4Very high9 Ų940.9 Ų40.95%0.04722%0.224CC..Hα-helixtrans-63.3-43.2171.1-73.8175.1000111.4R92 C95 L99 Y167 Y168 R169 E173 V174 A175 I183R92-L171 HydrophobicContact CB-CD2 4.23Å; R92-L171 HydrophobicContact CG-CD2 3.82Å; C95-L171 HydrophobicContact CB-CD1 3.94Å; C95-L171 HydrophobicContact CB-CD2 3.6Å; C95-L171 HydrophobicContact CB-CG 3.56Å; L99-L171 HydrophobicContact CD1-CD1 3.67Å; Y167-L171 PolarHBondContact O-N 2.93Å; Y168-L171 HydrophobicContact CD1-CD1 4.22Å; Y168-L171 WeakPolarHBondContact O-CB 3.28Å; Y168-L171 PolarHBondContact O-N 3.35Å; R169-L171 VanDerWaalsContact C-N 3.31Å; R169-L171 PolarHBondContact O-N 2.87Å; L171-E173 VanDerWaalsContact C-N 3.25Å; L171-E173 PolarHBondContact O-N 3.42Å; L171-V174 WeakPolarHBondContact O-CG2 3.36Å; L171-V174 PolarHBondContact O-N 3.11Å; L171-A175 VanDerWaalsContact O-CB 3.28Å; L171-A175 WeakPolarHBondContact O-CB 3.2Å; L171-A175 PolarHBondContact O-N 3.05Å; L171-I183 HydrophobicContact CB-CD1 4.47Å; L171-I183 HydrophobicContact CB-CG2 3.6Å
172A95.3Very high93.2Very high0 Ų043.3 Ų43.30%024%0.241CC..Hα-helixtrans-62.1-32.2178.400000112.1Y168 R169 V174 A175 R180 I183 V184 I223Y168-A172 WeakPolarHBondContact O-CB 3.42Å; Y168-A172 PolarHBondContact O-N 2.76Å; R169-A172 WeakPolarHBondContact O-CB 3.32Å; R169-A172 PolarHBondContact O-N 2.56Å; R169-A172 VanDerWaalsContact O-N 3.09Å; A172-V174 PolarHBondContact O-N 3.37Å; A172-A175 PolarHBondContact O-N 2.82Å; A172-R180 PolarHBondContact O-NH1 2.93Å; A172-I183 HydrophobicContact CB-CG2 3.92Å; A172-V184 HydrophobicContact CB-CG2 3.86Å; A172-I223 HydrophobicContact CB-CD1 4.49Å; A172-I223 HydrophobicContact CB-CG2 3.91Å
173E94.7Very high93Very high29 Ų2942.8 Ų42.814%0.13624%0.24CC..Hα-helixtrans-60.3-34177-72.6170.9-156.900112.8R57 W60 R61 R169 Y170 L171 I223R57-E173 IonicContact CZ-OE1 3.85Å; R57-E173 IonicContact CZ-OE2 3.54Å; R57-E173 VanDerWaalsContact CZ-OE2 3.26Å; R57-E173 IonicContact NE-OE1 3.17Å; R57-E173 IonicContact NE-OE2 3.86Å; R57-E173 PolarHBondContact NE-OE2 3.23Å; R57-E173 IonicContact NH2-OE1 3.52Å; R57-E173 PolarHBondContact NH2-OE1 3.36Å; R57-E173 IonicContact NH2-OE2 3.27Å; R57-E173 PolarHBondContact NH2-OE2 3.36Å; W60-E173 WeakPolarHBondContact CH2-O 3.49Å; R61-E173 IonicContact NH2-OE2 2.68Å; R169-E173 IonicContact NH1-OE1 2.78Å; R169-E173 PolarHBondContact NH1-OE1 3.16Å; R169-E173 WeakPolarHBondContact O-CG 3.33Å; R169-E173 PolarHBondContact O-N 3.29Å; Y170-E173 PolarHBondContact O-N 2.96Å; L171-E173 VanDerWaalsContact C-N 3.25Å; L171-E173 PolarHBondContact O-N 3.42Å; E173-I223 HydrophobicContact CG-CD1 3.76Å
174V93.7Very high92.9Very high6 Ų643.1 Ų43.14%0.03624%0.243CC..Hα-helixtrans-105.8-9.4-177.6-55.60000113.7W60 E88 L91 R92 L171 A172W60-V174 HydrophobicContact CD2-CG1 3.8Å; W60-V174 HydrophobicContact CE3-CG1 4.22Å; W60-V174 HydrophobicContact CG-CG1 4.2Å; W60-V174 HydrophobicContact CH2-CG1 4.3Å; W60-V174 HydrophobicContact CZ2-CB 4.32Å; W60-V174 HydrophobicContact CZ2-CG1 3.91Å; W60-V174 HydrophobicContact CZ3-CG1 4.45Å; E88-V174 HydrophobicContact CG-CB 4.2Å; E88-V174 HydrophobicContact CG-CG1 4.35Å; L91-V174 HydrophobicContact CD1-CG1 3.99Å; L91-V174 HydrophobicContact CD2-CG1 4.43Å; L91-V174 HydrophobicContact CD2-CG2 4.01Å; R92-V174 HydrophobicContact CG-CG2 4.48Å; L171-V174 WeakPolarHBondContact O-CG2 3.36Å; L171-V174 PolarHBondContact O-N 3.11Å; A172-V174 PolarHBondContact O-N 3.37Å
175A92.2Very high92.9Very high14 Ų1447 Ų4712%0.11626%0.262CS..  trans-73.3134-177.600000112.1L171 A172 R180 I183L171-A175 VanDerWaalsContact O-CB 3.28Å; L171-A175 WeakPolarHBondContact O-CB 3.2Å; L171-A175 PolarHBondContact O-N 3.05Å; A172-A175 PolarHBondContact O-N 2.82Å; A175-R180 HydrophobicContact CB-CB 4.08Å; A175-R180 HydrophobicContact CB-CG 4.2Å; A175-R180 PolarHBondContact O-NH1 3.44Å; A175-R180 VanDerWaalsContact O-NH1 3.11Å; A175-I183 HydrophobicContact CB-CD1 3.76Å
176T86.5Confident92.8Very high121 Ų12150.4 Ų50.474%0.74228%0.28SS*.  trans-127159.5173.660.90000110
177G87.7Confident92.7Very high58 Ų5850 Ų5060%0.59828%0.277SS*.SBendtrans71.9-155178.400000114.4D179 R180G177-D179 VanDerWaalsContact C-N 3.34Å; G177-D179 PolarHBondContact O-N 2.92Å; G177-R180 WeakPolarHBondContact O-CB 3.28Å; G177-R180 PolarHBondContact O-N 3.27Å
178D81.6Confident92.8Very high154 Ų15452.7 Ų52.782%0.82429%0.29SS*.THydrogen-bonded Turntrans-67.2-30.5-165.5-61.9-26.8000113.6R180D178-R180 VanDerWaalsContact C-N 3.27Å; D178-R180 PolarHBondContact O-N 3.15Å
179D82.7Confident92.8Very high116 Ų11655.1 Ų55.162%0.6231%0.311SS*.Hα-helixtrans-70.5-23.5-177.6-67.7-20.7000112.8G177 N181 S182 I183G177-D179 VanDerWaalsContact C-N 3.34Å; G177-D179 PolarHBondContact O-N 2.92Å; D179-N181 VanDerWaalsContact C-N 3.29Å; D179-N181 PolarHBondContact O-N 3.16Å; D179-S182 PolarHBondContact O-N 3.43Å; D179-S182 PolarHBondContact O-OG 3.43Å; D179-I183 HydrophobicContact CB-CD1 4.39Å; D179-I183 WeakPolarHBondContact O-CG1 3.47Å; D179-I183 PolarHBondContact O-N 3.34Å
180R91.5Very high92.8Very high76 Ų7654.8 Ų54.829%0.28731%0.31SS..Hα-helixtrans-56.2-42.8-174.4-177.1-174.717481.99112A172 A175 G177 D178 S182 I183 V184A172-R180 PolarHBondContact O-NH1 2.93Å; A175-R180 HydrophobicContact CB-CB 4.08Å; A175-R180 HydrophobicContact CB-CG 4.2Å; A175-R180 PolarHBondContact O-NH1 3.44Å; A175-R180 VanDerWaalsContact O-NH1 3.11Å; G177-R180 WeakPolarHBondContact O-CB 3.28Å; G177-R180 PolarHBondContact O-N 3.27Å; D178-R180 VanDerWaalsContact C-N 3.27Å; D178-R180 PolarHBondContact O-N 3.15Å; R180-S182 PolarHBondContact O-N 3.29Å; R180-I183 PolarHBondContact O-N 3.34Å; R180-V184 HydrophobicContact CG-CG2 4.19Å; R180-V184 VanDerWaalsContact O-CG2 3.26Å; R180-V184 WeakPolarHBondContact O-CG2 3.47Å; R180-V184 PolarHBondContact O-N 3.35Å
181N92.4Very high92.9Very high112 Ų11254 Ų5460%0.59931%0.307SS*.Hα-helixtrans-61.3-45.8-177.1-69.1-19000111.2D179 I183 V184 E185D179-N181 VanDerWaalsContact C-N 3.29Å; D179-N181 PolarHBondContact O-N 3.16Å; N181-I183 VanDerWaalsContact C-N 3.33Å; N181-I183 PolarHBondContact O-N 3.2Å; N181-V184 PolarHBondContact O-N 2.77Å; N181-E185 WeakPolarHBondContact O-CG 3.4Å; N181-E185 PolarHBondContact O-N 3.27Å
182S91.9Very high93.1Very high54 Ų5457 Ų5738%0.37832%0.321SS..Hα-helixtrans-62.9-39.3178.4740000112.5D179 R180 E185 N186D179-S182 PolarHBondContact O-N 3.43Å; D179-S182 PolarHBondContact O-OG 3.43Å; R180-S182 PolarHBondContact O-N 3.29Å; S182-E185 PolarHBondContact O-N 2.96Å; S182-N186 WeakPolarHBondContact O-CB 3.23Å; S182-N186 VanDerWaalsContact O-CG 3.25Å; S182-N186 PolarHBondContact O-N 3.49Å; S182-N186 PolarHBondContact O-ND2 3.04Å; S182-N186 VanDerWaalsContact O-ND2 3.1Å
183I93.1Very high93.3Very high28 Ų2860.7 Ų60.714%0.14434%0.338CS..Hα-helixtrans-66-43.3178.2-65.6168.3000110.4Y168 L171 A172 A175 D179 R180 N181 N186 S187Y168-I183 HydrophobicContact CD1-CG2 4.23Å; Y168-I183 VanDerWaalsContact O-CG2 3.23Å; Y168-I183 WeakPolarHBondContact O-CG2 3.36Å; L171-I183 HydrophobicContact CB-CD1 4.47Å; L171-I183 HydrophobicContact CB-CG2 3.6Å; A172-I183 HydrophobicContact CB-CG2 3.92Å; A175-I183 HydrophobicContact CB-CD1 3.76Å; D179-I183 HydrophobicContact CB-CD1 4.39Å; D179-I183 WeakPolarHBondContact O-CG1 3.47Å; D179-I183 PolarHBondContact O-N 3.34Å; R180-I183 PolarHBondContact O-N 3.34Å; N181-I183 VanDerWaalsContact C-N 3.33Å; N181-I183 PolarHBondContact O-N 3.2Å; I183-N186 PolarHBondContact O-N 3.24Å; I183-S187 PolarHBondContact O-N 3.39Å
184V95.9Very high93.4Very high16 Ų1659.3 Ų59.310%0.09733%0.332CS..Hα-helixtrans-64-44.5177.2171.40000111A172 R180 N181 N186 S187 Q188 F219 I223 L224A172-V184 HydrophobicContact CB-CG2 3.86Å; R180-V184 HydrophobicContact CG-CG2 4.19Å; R180-V184 VanDerWaalsContact O-CG2 3.26Å; R180-V184 WeakPolarHBondContact O-CG2 3.47Å; R180-V184 PolarHBondContact O-N 3.35Å; N181-V184 PolarHBondContact O-N 2.77Å; V184-N186 PolarHBondContact O-N 2.89Å; V184-S187 WeakPolarHBondContact O-CB 3.45Å; V184-S187 PolarHBondContact O-N 3.16Å; V184-Q188 WeakPolarHBondContact O-CB 3.3Å; V184-Q188 PolarHBondContact O-N 2.91Å; V184-F219 HydrophobicContact CG1-CE2 4.42Å; V184-F219 HydrophobicContact CG1-CZ 3.94Å; V184-I223 HydrophobicContact CG1-CG2 4.28Å; V184-I223 HydrophobicContact CG2-CG2 3.72Å; V184-L224 HydrophobicContact CG1-CD2 3.46Å; V184-L224 VanDerWaalsContact CG1-CD2 3.46Å; V184-L224 HydrophobicContact CG1-CG 4.36Å
185E95.5Very high93.7Very high127 Ų12759.6 Ų59.659%0.59333%0.333SS*.Hα-helixtrans-60.6-44.5175.9-75.1174.1-173.100111.7N181 S182 S187 Q188 S189N181-E185 WeakPolarHBondContact O-CG 3.4Å; N181-E185 PolarHBondContact O-N 3.27Å; S182-E185 PolarHBondContact O-N 2.96Å; E185-S187 PolarHBondContact O-N 3.33Å; E185-Q188 PolarHBondContact O-N 3.41Å; E185-S189 VanDerWaalsContact O-CB 3.3Å; E185-S189 WeakPolarHBondContact O-CB 3.48Å; E185-S189 PolarHBondContact O-N 2.92Å
186N94.2Very high94Very high71 Ų7163 Ų6338%0.3835%0.35SS..Hα-helixtrans-62.7-41.1176.4-75.5-34.4000112.2Y168 S182 I183 V184 A190Y168-N186 HydrophobicContact CD1-CB 3.77Å; Y168-N186 HydrophobicContact CD2-CB 3.84Å; Y168-N186 HydrophobicContact CE1-CB 3.72Å; Y168-N186 HydrophobicContact CE2-CB 3.79Å; Y168-N186 HydrophobicContact CG-CB 3.84Å; S182-N186 WeakPolarHBondContact O-CB 3.23Å; S182-N186 VanDerWaalsContact O-CG 3.25Å; S182-N186 PolarHBondContact O-N 3.49Å; S182-N186 PolarHBondContact O-ND2 3.04Å; S182-N186 VanDerWaalsContact O-ND2 3.1Å; I183-N186 PolarHBondContact O-N 3.24Å; V184-N186 PolarHBondContact O-N 2.89Å; N186-A190 WeakPolarHBondContact O-CB 3.11Å; N186-A190 PolarHBondContact O-N 2.71Å
187S96.6Very high94.5Very high0 Ų058.6 Ų58.60%032%0.322CS..Hα-helixtrans-59.7-50.2173.8-174.70000111.3G165 R169 I183 V184 E185 A190 Y191 F219G165-S187 PolarHBondContact O-OG 2.74Å; G165-S187 VanDerWaalsContact O-OG 3.11Å; R169-S187 PolarHBondContact N-OG 3.42Å; I183-S187 PolarHBondContact O-N 3.39Å; V184-S187 WeakPolarHBondContact O-CB 3.45Å; V184-S187 PolarHBondContact O-N 3.16Å; E185-S187 PolarHBondContact O-N 3.33Å; S187-A190 PolarHBondContact O-N 2.85Å; S187-Y191 WeakPolarHBondContact O-CD2 3.44Å; S187-Y191 PolarHBondContact O-N 3.16Å; S187-Y191 VanDerWaalsContact O-N 3.07Å; S187-Y191 WeakPolarHBondContact OG-CE2 3.33Å; S187-F219 VanDerWaalsContact CB-CE2 3.49Å; S187-F219 WeakPolarHBondContact OG-CD2 3.39Å; S187-F219 WeakPolarHBondContact OG-CE2 3.42Å
188Q98.2Very high95Very high63 Ų6355.9 Ų55.929%0.29429%0.294SS..Hα-helixtrans-63.6-43.8-178.5-172.6176.3-10.400111.6V184 E185 Y191 Q192 F216 F219V184-Q188 WeakPolarHBondContact O-CB 3.3Å; V184-Q188 PolarHBondContact O-N 2.91Å; E185-Q188 PolarHBondContact O-N 3.41Å; Q188-Y191 PolarHBondContact O-N 2.99Å; Q188-Q192 WeakPolarHBondContact O-CB 3.26Å; Q188-Q192 PolarHBondContact O-N 3.09Å; Q188-F216 HydrophobicContact CG-CE2 4.34Å; Q188-F216 HydrophobicContact CG-CZ 4.37Å; Q188-F219 HydrophobicContact CB-CE1 3.75Å; Q188-F219 HydrophobicContact CB-CZ 3.85Å; Q188-F219 HydrophobicContact CG-CE1 4.08Å
189S97.4Very high95.8Very high75 Ų7553.9 Ų53.952%0.52428%0.278SS..Hα-helixtrans-60.4-46.4178.4-177.70000111.5E185 Y191 Q192 E193E185-S189 VanDerWaalsContact O-CB 3.3Å; E185-S189 WeakPolarHBondContact O-CB 3.48Å; E185-S189 PolarHBondContact O-N 2.92Å; S189-Y191 PolarHBondContact O-N 3.5Å; S189-Q192 PolarHBondContact O-N 3.07Å; S189-E193 PolarHBondContact O-N 3.33Å
190A97.6Very high96.4Very high4 Ų452.1 Ų52.13%0.03328%0.275CS..Hα-helixtrans-63.3-43.2178.600000112.6K164 N186 S187 A194K164-A190 HydrophobicContact CB-CB 4Å; K164-A190 HydrophobicContact CD-CB 4.25Å; K164-A190 HydrophobicContact CG-CB 3.95Å; N186-A190 WeakPolarHBondContact O-CB 3.11Å; N186-A190 PolarHBondContact O-N 2.71Å; S187-A190 PolarHBondContact O-N 2.85Å; A190-A194 WeakPolarHBondContact O-CB 3.48Å; A190-A194 PolarHBondContact O-N 3.49Å
191Y98.7Very high96.7Very high0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-66.1-39.8175.2-75.9-51.6000112.8K162 D166 R169 S187 Q188 S189 A194 L195 L212 N215 F216 F219K162-Y191 HydrophobicContact CG-CE1 4.46Å; D166-Y191 VanDerWaalsContact CA-OH 3.3Å; D166-Y191 WeakPolarHBondContact CA-OH 3.36Å; D166-Y191 PolarHBondContact N-OH 2.99Å; D166-Y191 PolarHBondContact OD1-OH 3.14Å; R169-Y191 HydrophobicContact CB-CE2 4.43Å; R169-Y191 PolarHBondContact NE-OH 3.41Å; S187-Y191 WeakPolarHBondContact O-CD2 3.44Å; S187-Y191 PolarHBondContact O-N 3.16Å; S187-Y191 VanDerWaalsContact O-N 3.07Å; S187-Y191 WeakPolarHBondContact OG-CE2 3.33Å; Q188-Y191 PolarHBondContact O-N 2.99Å; S189-Y191 PolarHBondContact O-N 3.5Å; Y191-A194 WeakPolarHBondContact O-CB 3.47Å; Y191-A194 PolarHBondContact O-N 2.96Å; Y191-L195 WeakPolarHBondContact O-CB 3.36Å; Y191-L195 PolarHBondContact O-N 3.46Å; Y191-L212 HydrophobicContact CD1-CD1 3.64Å; Y191-L212 HydrophobicContact CE1-CD1 4.34Å; Y191-N215 HydrophobicContact CE1-CB 4.17Å; Y191-F216 HydrophobicContact CD1-CB 4.25Å; Y191-F216 AromaticContact CD2-CD2 3.7Å; Y191-F216 HydrophobicContact CD2-CD2 3.7Å; Y191-F216 HydrophobicContact CD2-CE2 4.14Å; Y191-F216 HydrophobicContact CD2-CG 4.3Å; Y191-F216 HydrophobicContact CG-CB 4.14Å; Y191-F216 AromaticContact CG-CD2 3.76Å; Y191-F216 HydrophobicContact CG-CD2 3.76Å; Y191-F216 HydrophobicContact CG-CE2 4.24Å; Y191-F216 AromaticContact CG-CG 3.93Å; Y191-F216 HydrophobicContact CG-CG 3.93Å; Y191-F219 HydrophobicContact CD2-CB 4.25Å; Y191-F219 HydrophobicContact CD2-CD1 4.37Å; Y191-F219 HydrophobicContact CD2-CD2 4.48Å; Y191-F219 HydrophobicContact CD2-CG 4.12Å; Y191-F219 HydrophobicContact CE2-CB 3.83Å; Y191-F219 HydrophobicContact CE2-CD2 4.12Å; Y191-F219 AromaticContact CE2-CG 3.96Å; Y191-F219 HydrophobicContact CE2-CG 3.96Å
192Q98.6Very high96.9Very high72 Ų7250.6 Ų50.634%0.33627%0.265SS..Hα-helixtrans-65.7-45.4179.3-171.560.956.100111.2Q188 S189 A194 L195 D196 F216Q188-Q192 WeakPolarHBondContact O-CB 3.26Å; Q188-Q192 PolarHBondContact O-N 3.09Å; S189-Q192 PolarHBondContact O-N 3.07Å; Q192-A194 VanDerWaalsContact C-N 3.31Å; Q192-A194 PolarHBondContact O-N 2.86Å; Q192-L195 PolarHBondContact O-N 3.39Å; Q192-L195 VanDerWaalsContact O-N 3.09Å; Q192-D196 PolarHBondContact NE2-OD1 3.5Å; Q192-D196 VanDerWaalsContact O-CG 3.23Å; Q192-D196 PolarHBondContact O-N 2.81Å; Q192-F216 HydrophobicContact CB-CZ 4.49Å
193E98Very high97Very high79 Ų7953.7 Ų53.737%0.36927%0.274SS..Hα-helixtrans-59.7-43.7175-168.5-169.6162.300110.9K157 L161 S189 L195 D196 V197K157-E193 VanDerWaalsContact CE-OE1 3.23Å; K157-E193 WeakPolarHBondContact CE-OE1 3.35Å; K157-E193 IonicContact NZ-OE1 2.78Å; K157-E193 PolarHBondContact NZ-OE1 2.77Å; L161-E193 HydrophobicContact CD1-CB 4.11Å; L161-E193 HydrophobicContact CD1-CG 3.73Å; L161-E193 WeakPolarHBondContact CD2-OE2 3.32Å; S189-E193 PolarHBondContact O-N 3.33Å; E193-L195 VanDerWaalsContact C-N 3.27Å; E193-L195 PolarHBondContact O-N 3.34Å; E193-D196 PolarHBondContact O-N 3.32Å; E193-V197 WeakPolarHBondContact O-CG2 3.35Å; E193-V197 PolarHBondContact O-N 2.94Å; E193-V197 VanDerWaalsContact O-N 3.13Å
194A98.4Very high97.2Very high0 Ų053 Ų530%027%0.271CS..Hα-helixtrans-59.1-40.8175.700000111.6V158 L161 A190 Y191 Q192 A198 L212V158-A194 HydrophobicContact CG1-CB 4.42Å; L161-A194 HydrophobicContact CB-CB 3.65Å; L161-A194 HydrophobicContact CD1-CB 4.49Å; A190-A194 WeakPolarHBondContact O-CB 3.48Å; A190-A194 PolarHBondContact O-N 3.49Å; Y191-A194 WeakPolarHBondContact O-CB 3.47Å; Y191-A194 PolarHBondContact O-N 2.96Å; Q192-A194 VanDerWaalsContact C-N 3.31Å; Q192-A194 PolarHBondContact O-N 2.86Å; A194-A198 VanDerWaalsContact O-CB 3.23Å; A194-A198 WeakPolarHBondContact O-CB 3.16Å; A194-A198 PolarHBondContact O-N 3.43Å; A194-L212 VanDerWaalsContact C-CD2 3.42Å; A194-L212 HydrophobicContact CB-CD1 3.76Å; A194-L212 HydrophobicContact CB-CD2 3.61Å; A194-L212 HydrophobicContact CB-CG 4.35Å; A194-L212 WeakPolarHBondContact O-CD2 3.45Å
195L98.5Very high97.3Very high11 Ų1152.4 Ų52.46%0.05827%0.267CS..Hα-helixtrans-70.3-39.5-176.8-173.463.9000111.4Y191 Q192 E193 A198 K199 L212 F216 L233Y191-L195 WeakPolarHBondContact O-CB 3.36Å; Y191-L195 PolarHBondContact O-N 3.46Å; Q192-L195 PolarHBondContact O-N 3.39Å; Q192-L195 VanDerWaalsContact O-N 3.09Å; E193-L195 VanDerWaalsContact C-N 3.27Å; E193-L195 PolarHBondContact O-N 3.34Å; L195-A198 PolarHBondContact O-N 3.35Å; L195-K199 HydrophobicContact CD1-CD 4.46Å; L195-K199 HydrophobicContact CD1-CG 4.32Å; L195-K199 HydrophobicContact CG-CD 4.21Å; L195-K199 HydrophobicContact CG-CG 4.44Å; L195-K199 WeakPolarHBondContact O-CB 3.46Å; L195-K199 WeakPolarHBondContact O-CG 3.42Å; L195-K199 PolarHBondContact O-N 3.49Å; L195-L212 HydrophobicContact CB-CD2 4.15Å; L195-L212 HydrophobicContact CD1-CD2 4.26Å; L195-F216 HydrophobicContact CD2-CD1 4.09Å; L195-F216 HydrophobicContact CD2-CE1 4.06Å; L195-L233 HydrophobicContact CD2-CD1 4.13Å
196D98.3Very high97.2Very high87 Ų8748.8 Ų48.847%0.46525%0.25SS..Hα-helixtrans-65.8-42.4178.3-64.4-18.8000111.2Q192 E193 S200Q192-D196 PolarHBondContact NE2-OD1 3.5Å; Q192-D196 VanDerWaalsContact O-CG 3.23Å; Q192-D196 PolarHBondContact O-N 2.81Å; E193-D196 PolarHBondContact O-N 3.32Å; D196-S200 WeakPolarHBondContact O-CB 3.36Å; D196-S200 PolarHBondContact O-N 3.12Å; D196-S200 PolarHBondContact O-OG 2.61Å
197V98.1Very high97.2Very high28 Ų2846.9 Ų46.917%0.1724%0.242CC..Hα-helixtrans-65.7-45173.7179.40000110.7K157 V158 E193 S200 K201K157-V197 HydrophobicContact CD-CG2 4.45Å; V158-V197 HydrophobicContact CG2-CB 3.82Å; V158-V197 HydrophobicContact CG2-CG1 3.59Å; E193-V197 WeakPolarHBondContact O-CG2 3.35Å; E193-V197 PolarHBondContact O-N 2.94Å; E193-V197 VanDerWaalsContact O-N 3.13Å; V197-S200 PolarHBondContact O-N 3.13Å; V197-S200 PolarHBondContact O-OG 2.75Å; V197-S200 VanDerWaalsContact O-OG 3.05Å; V197-K201 WeakPolarHBondContact O-CB 3.35Å; V197-K201 PolarHBondContact O-N 3.01Å
198A98.3Very high97.2Very high0 Ų048.7 Ų48.70%025%0.251CS..Hα-helixtrans-63.7-44.7-17900000112.3V158 A194 L195 S200 K201 M202 R209 L212V158-A198 HydrophobicContact CG1-CB 4.01Å; V158-A198 HydrophobicContact CG2-CB 3.99Å; A194-A198 VanDerWaalsContact O-CB 3.23Å; A194-A198 WeakPolarHBondContact O-CB 3.16Å; A194-A198 PolarHBondContact O-N 3.43Å; L195-A198 PolarHBondContact O-N 3.35Å; A198-S200 VanDerWaalsContact C-N 3.27Å; A198-S200 PolarHBondContact O-N 3.5Å; A198-K201 PolarHBondContact O-N 3.11Å; A198-M202 HydrophobicContact CB-SD 4.11Å; A198-M202 WeakPolarHBondContact O-CA 3.48Å; A198-M202 WeakPolarHBondContact O-CB 3.33Å; A198-M202 PolarHBondContact O-N 2.93Å; A198-R209 HydrophobicContact CB-CB 4.23Å; A198-R209 HydrophobicContact CB-CG 3.96Å; A198-L212 HydrophobicContact CB-CD2 4.12Å
199K97.3Very high97.1Very high113 Ų11347.2 Ų47.249%0.49124%0.243SC..Hα-helixtrans-62.8-33.8178.2-78.2-178.3174.1-177.20112.8L195L195-K199 HydrophobicContact CD1-CD 4.46Å; L195-K199 HydrophobicContact CD1-CG 4.32Å; L195-K199 HydrophobicContact CG-CD 4.21Å; L195-K199 HydrophobicContact CG-CG 4.44Å; L195-K199 WeakPolarHBondContact O-CB 3.46Å; L195-K199 WeakPolarHBondContact O-CG 3.42Å; L195-K199 PolarHBondContact O-N 3.49Å
200S97Very high97.2Very high79 Ų7943.7 Ų43.755%0.55222%0.218SC*.Hα-helixtrans-86.1-22.2-177.460.30000114.4D196 V197 A198D196-S200 WeakPolarHBondContact O-CB 3.36Å; D196-S200 PolarHBondContact O-N 3.12Å; D196-S200 PolarHBondContact O-OG 2.61Å; V197-S200 PolarHBondContact O-N 3.13Å; V197-S200 PolarHBondContact O-OG 2.75Å; V197-S200 VanDerWaalsContact O-OG 3.05Å; A198-S200 VanDerWaalsContact C-N 3.27Å; A198-S200 PolarHBondContact O-N 3.5Å
201K97.2Very high97.1Very high144 Ų14444 Ų4463%0.62622%0.222SC*.Hα-helixtrans-127.2-10.4-169.9-59.6-62178.3-174.10115.8P154 V197 A198P154-K201 HydrophobicContact CB-CB 3.6Å; P154-K201 HydrophobicContact CB-CG 4.17Å; P154-K201 HydrophobicContact CG-CB 3.83Å; P154-K201 HydrophobicContact CG-CG 4.11Å; V197-K201 WeakPolarHBondContact O-CB 3.35Å; V197-K201 PolarHBondContact O-N 3.01Å; A198-K201 PolarHBondContact O-N 3.11Å
202M96Very high97.1Very high11 Ų1144 Ų445%0.05422%0.222CC..SBendtrans-128.2143.5-172.7-54176.66800110.8E155 V158 A198 H206 I208 R209E155-M202 HydrophobicContact CB-CE 4.49Å; E155-M202 HydrophobicContact CG-CE 4.05Å; V158-M202 HydrophobicContact CB-SD 3.99Å; V158-M202 HydrophobicContact CG1-SD 4.19Å; V158-M202 HydrophobicContact CG2-SD 3.75Å; A198-M202 HydrophobicContact CB-SD 4.11Å; A198-M202 WeakPolarHBondContact O-CA 3.48Å; A198-M202 WeakPolarHBondContact O-CB 3.33Å; A198-M202 PolarHBondContact O-N 2.93Å; M202-H206 HydrophobicContact CB-CB 4.32Å; M202-H206 HydrophobicContact CE-CB 4.09Å; M202-H206 WeakPolarHBondContact CE-CE1 3.44Å; M202-H206 WeakPolarHBondContact CE-ND1 3.43Å; M202-I208 HydrophobicContact CE-CB 3.86Å; M202-I208 HydrophobicContact CE-CG2 4.16Å; M202-R209 HydrophobicContact CB-CB 4.48Å; M202-R209 PolarHBondContact O-NH1 2.75Å
203Q95.1Very high97.1Very high119 Ų11940.8 Ų40.856%0.55621%0.208SC*.  trans-64.7148176.2-63.8-60.4-3.100111.4T205 H206 R209 E244Q203-T205 PolarHBondContact O-N 2.68Å; Q203-T205 VanDerWaalsContact O-N 3.16Å; Q203-H206 VanDerWaalsContact O-CB 3.23Å; Q203-H206 WeakPolarHBondContact O-CB 3.43Å; Q203-H206 PolarHBondContact O-N 3.32Å; Q203-R209 WeakPolarHBondContact O-CD 3.46Å; Q203-E244 PolarHBondContact OE1-OE2 3.47Å
204P97.1Very high97.1Very high13 Ų1338 Ų388%0.08420%0.195CC..THydrogen-bonded Turntrans-54-32.5177.2-26.535.6000114.2H206 L210 D240 E244P204-H206 VanDerWaalsContact C-N 3.3Å; P204-H206 PolarHBondContact O-N 3.45Å; P204-L210 WeakPolarHBondContact O-CG 3.46Å; P204-D240 HydrophobicContact CB-CB 3.77Å; P204-D240 HydrophobicContact CG-CB 4.25Å; P204-E244 WeakPolarHBondContact CD-OE2 3.45Å
205T96.4Very high97.1Very high4 Ų439.4 Ų39.43%0.02520%0.203CC..THydrogen-bonded Turntrans-77.6-9.8177.649.40000113.9Q203 P207 L210 A241 E244 L248 S256Q203-T205 PolarHBondContact O-N 2.68Å; Q203-T205 VanDerWaalsContact O-N 3.16Å; T205-P207 WeakPolarHBondContact O-CD 3.35Å; T205-L210 WeakPolarHBondContact O-CD1 3.42Å; T205-A241 HydrophobicContact CG2-CB 4.33Å; T205-A241 WeakPolarHBondContact CG2-O 3.49Å; T205-E244 HydrophobicContact CG2-CB 4.11Å; T205-L248 HydrophobicContact CG2-CD1 4.09Å; T205-L248 HydrophobicContact CG2-CD2 4.44Å; T205-L248 HydrophobicContact CG2-CG 4.25Å; T205-L248 WeakPolarHBondContact OG1-CD2 3.38Å; T205-S256 WeakPolarHBondContact O-CB 3.44Å; T205-S256 PolarHBondContact O-OG 3.32Å
206H95Very high97.1Very high52 Ų5239 Ų3924%0.24120%0.2CC..  trans-63.6127.7-175.1-169.9-60.2000111.4M202 Q203 P204 I208 R209 L210M202-H206 HydrophobicContact CB-CB 4.32Å; M202-H206 HydrophobicContact CE-CB 4.09Å; M202-H206 WeakPolarHBondContact CE-CE1 3.44Å; M202-H206 WeakPolarHBondContact CE-ND1 3.43Å; Q203-H206 VanDerWaalsContact O-CB 3.23Å; Q203-H206 WeakPolarHBondContact O-CB 3.43Å; Q203-H206 PolarHBondContact O-N 3.32Å; P204-H206 VanDerWaalsContact C-N 3.3Å; P204-H206 PolarHBondContact O-N 3.45Å; H206-I208 PolarHBondContact ND1-N 3.42Å; H206-I208 VanDerWaalsContact ND1-N 3.19Å; H206-I208 PolarHBondContact O-N 3.18Å; H206-R209 HydrophobicContact CB-CB 4.28Å; H206-R209 WeakPolarHBondContact O-CA 3.45Å; H206-R209 WeakPolarHBondContact O-CB 3.42Å; H206-R209 PolarHBondContact O-N 2.9Å; H206-L210 PolarHBondContact O-N 3.49Å
207P94.5Very high97.1Very high31 Ų3134.8 Ų34.820%0.20118%0.178CC..Hα-helixtrans-54.4-42-174.4-30.835.5000115T205 R209 L210 G211 D255 I259T205-P207 WeakPolarHBondContact O-CD 3.35Å; P207-R209 PolarHBondContact O-N 3.49Å; P207-L210 PolarHBondContact O-N 3.31Å; P207-G211 PolarHBondContact O-N 2.98Å; P207-D255 HydrophobicContact CB-CB 4.27Å; P207-D255 HydrophobicContact CG-CB 3.81Å; P207-I259 HydrophobicContact CB-CD1 3.87Å; P207-I259 WeakPolarHBondContact O-CD1 3.49Å
208I95Very high97.1Very high37 Ų3734.5 Ų34.519%0.1918%0.177CC..Hα-helixtrans-61.2-41.1174.8-62.3173.7000112.3E155 V158 F159 M202 H206 G211 L212E155-I208 HydrophobicContact CB-CD1 4.06Å; V158-I208 HydrophobicContact CB-CG2 4.23Å; V158-I208 HydrophobicContact CG1-CG2 3.7Å; F159-I208 HydrophobicContact CD2-CD1 4.25Å; M202-I208 HydrophobicContact CE-CB 3.86Å; M202-I208 HydrophobicContact CE-CG2 4.16Å; H206-I208 PolarHBondContact ND1-N 3.42Å; H206-I208 VanDerWaalsContact ND1-N 3.19Å; H206-I208 PolarHBondContact O-N 3.18Å; I208-G211 PolarHBondContact O-N 2.92Å; I208-L212 WeakPolarHBondContact O-CB 3.46Å; I208-L212 PolarHBondContact O-N 3.44Å
209R97.7Very high97.1Very high32 Ų3234.5 Ų34.512%0.12118%0.177CC..Hα-helixtrans-68.2-43.3178.6177173.1169.1-178.3-8.5110.8A198 M202 Q203 H206 P207 L212 A213 D240A198-R209 HydrophobicContact CB-CB 4.23Å; A198-R209 HydrophobicContact CB-CG 3.96Å; M202-R209 HydrophobicContact CB-CB 4.48Å; M202-R209 PolarHBondContact O-NH1 2.75Å; Q203-R209 WeakPolarHBondContact O-CD 3.46Å; H206-R209 HydrophobicContact CB-CB 4.28Å; H206-R209 WeakPolarHBondContact O-CA 3.45Å; H206-R209 WeakPolarHBondContact O-CB 3.42Å; H206-R209 PolarHBondContact O-N 2.9Å; P207-R209 PolarHBondContact O-N 3.49Å; R209-L212 WeakPolarHBondContact O-CB 3.25Å; R209-L212 PolarHBondContact O-N 2.88Å; R209-A213 PolarHBondContact O-N 3.39Å; R209-D240 IonicContact NH2-OD2 2.91Å
210L97.7Very high97.2Very high1 Ų130 Ų301%0.00516%0.157CC..Hα-helixtrans-61.4-47173.8-74.2172.2000111.8P204 T205 H206 P207 L212 A213 L214 A241 I259 M260 L263P204-L210 WeakPolarHBondContact O-CG 3.46Å; T205-L210 WeakPolarHBondContact O-CD1 3.42Å; H206-L210 PolarHBondContact O-N 3.49Å; P207-L210 PolarHBondContact O-N 3.31Å; L210-L212 VanDerWaalsContact C-N 3.28Å; L210-L212 PolarHBondContact O-N 3.16Å; L210-A213 PolarHBondContact O-N 2.65Å; L210-A213 VanDerWaalsContact O-N 3.16Å; L210-L214 PolarHBondContact O-N 3.27Å; L210-A241 HydrophobicContact CD2-CB 3.8Å; L210-I259 HydrophobicContact CB-CB 4.15Å; L210-I259 HydrophobicContact CB-CD1 4.37Å; L210-I259 HydrophobicContact CB-CG2 3.65Å; L210-M260 HydrophobicContact CD1-CG 4.04Å; L210-M260 HydrophobicContact CD2-CG 4.24Å; L210-L263 HydrophobicContact CD2-CD1 4.09Å
211G97.1Very high97.2Very high12 Ų1228.7 Ų28.712%0.12414%0.14CC..Hα-helixtrans-64.8-31.6178.500000113K162 P207 I208 N215K162-G211 WeakPolarHBondContact CE-O 3.37Å; P207-G211 PolarHBondContact O-N 2.98Å; I208-G211 PolarHBondContact O-N 2.92Å; G211-N215 PolarHBondContact O-N 3.21Å; G211-N215 VanDerWaalsContact O-N 3.16Å
212L98.4Very high97.2Very high0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-64.9-49.9169.9169.164.7000111.2V158 K162 Y191 A194 L195 A198 I208 R209 L210 L214 N215 F216V158-L212 HydrophobicContact CG1-CD2 4Å; K162-L212 HydrophobicContact CB-CD1 4.03Å; K162-L212 HydrophobicContact CD-CB 4.12Å; K162-L212 HydrophobicContact CG-CB 4.37Å; K162-L212 HydrophobicContact CG-CD1 4Å; Y191-L212 HydrophobicContact CD1-CD1 3.64Å; Y191-L212 HydrophobicContact CE1-CD1 4.34Å; A194-L212 VanDerWaalsContact C-CD2 3.42Å; A194-L212 HydrophobicContact CB-CD1 3.76Å; A194-L212 HydrophobicContact CB-CD2 3.61Å; A194-L212 HydrophobicContact CB-CG 4.35Å; A194-L212 WeakPolarHBondContact O-CD2 3.45Å; L195-L212 HydrophobicContact CB-CD2 4.15Å; L195-L212 HydrophobicContact CD1-CD2 4.26Å; A198-L212 HydrophobicContact CB-CD2 4.12Å; I208-L212 WeakPolarHBondContact O-CB 3.46Å; I208-L212 PolarHBondContact O-N 3.44Å; R209-L212 WeakPolarHBondContact O-CB 3.25Å; R209-L212 PolarHBondContact O-N 2.88Å; L210-L212 VanDerWaalsContact C-N 3.28Å; L210-L212 PolarHBondContact O-N 3.16Å; L212-L214 VanDerWaalsContact C-N 3.29Å; L212-L214 PolarHBondContact O-N 3.02Å; L212-N215 PolarHBondContact O-N 3.39Å; L212-F216 WeakPolarHBondContact O-CB 3.48Å; L212-F216 PolarHBondContact O-N 3.39Å
213A98.6Very high97.2Very high4 Ų427.1 Ų27.13%0.03314%0.135CC..Hα-helixtrans-60.1-40.5179.700000112R209 L210 F216 S217 A237R209-A213 PolarHBondContact O-N 3.39Å; L210-A213 PolarHBondContact O-N 2.65Å; L210-A213 VanDerWaalsContact O-N 3.16Å; A213-F216 PolarHBondContact O-N 3.31Å; A213-S217 WeakPolarHBondContact O-CB 3.47Å; A213-S217 PolarHBondContact O-N 3.27Å; A213-S217 PolarHBondContact O-OG 3Å; A213-A237 HydrophobicContact CB-CB 3.51Å
214L98.4Very high97.3Very high19 Ų1923.7 Ų23.710%0.09912%0.12CC..Hα-helixtrans-58.3-50.6173.9177.465.5000112L210 L212 S217 V218 I259 L262 L263 N266L210-L214 PolarHBondContact O-N 3.27Å; L212-L214 VanDerWaalsContact C-N 3.29Å; L212-L214 PolarHBondContact O-N 3.02Å; L214-S217 PolarHBondContact O-OG 3.11Å; L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.39Å; L214-V218 PolarHBondContact O-N 2.98Å; L214-V218 VanDerWaalsContact O-N 3.16Å; L214-I259 HydrophobicContact CD2-CG2 4.26Å; L214-L262 HydrophobicContact CD1-CB 4.16Å; L214-L262 HydrophobicContact CD2-CB 3.88Å; L214-L262 HydrophobicContact CD2-CD1 3.91Å; L214-L263 HydrophobicContact CB-CD2 3.93Å; L214-L263 HydrophobicContact CB-CG 4.3Å; L214-L263 HydrophobicContact CD1-CD2 3.88Å; L214-L263 HydrophobicContact CD1-CG 4.15Å; L214-N266 WeakPolarHBondContact CD1-ND2 3.31Å
215N97.7Very high97.2Very high31 Ų3129.6 Ų29.617%0.16615%0.152CC..Hα-helixtrans-71.7-33.8-177.1-75.317.2000112.2K162 D166 Y191 G211 L212 F219K162-N215 PolarHBondContact NZ-ND2 3.34Å; D166-N215 VanDerWaalsContact CG-ND2 3.29Å; D166-N215 WeakPolarHBondContact OD1-CB 3.4Å; D166-N215 PolarHBondContact OD1-ND2 3.15Å; D166-N215 PolarHBondContact OD2-ND2 3.02Å; Y191-N215 HydrophobicContact CE1-CB 4.17Å; G211-N215 PolarHBondContact O-N 3.21Å; G211-N215 VanDerWaalsContact O-N 3.16Å; L212-N215 PolarHBondContact O-N 3.39Å; N215-F219 PolarHBondContact O-N 3.5Å
216F98.7Very high97.3Very high1 Ų131 Ų310%0.00416%0.162CC..Hα-helixtrans-74.4-33.2178.6-165.8-168.1000112Q188 Y191 Q192 L195 L212 A213 F219 F220 L233Q188-F216 HydrophobicContact CG-CE2 4.34Å; Q188-F216 HydrophobicContact CG-CZ 4.37Å; Y191-F216 HydrophobicContact CD1-CB 4.25Å; Y191-F216 AromaticContact CD2-CD2 3.7Å; Y191-F216 HydrophobicContact CD2-CD2 3.7Å; Y191-F216 HydrophobicContact CD2-CE2 4.14Å; Y191-F216 HydrophobicContact CD2-CG 4.3Å; Y191-F216 HydrophobicContact CG-CB 4.14Å; Y191-F216 AromaticContact CG-CD2 3.76Å; Y191-F216 HydrophobicContact CG-CD2 3.76Å; Y191-F216 HydrophobicContact CG-CE2 4.24Å; Y191-F216 AromaticContact CG-CG 3.93Å; Y191-F216 HydrophobicContact CG-CG 3.93Å; Q192-F216 HydrophobicContact CB-CZ 4.49Å; L195-F216 HydrophobicContact CD2-CD1 4.09Å; L195-F216 HydrophobicContact CD2-CE1 4.06Å; L212-F216 WeakPolarHBondContact O-CB 3.48Å; L212-F216 PolarHBondContact O-N 3.39Å; A213-F216 PolarHBondContact O-N 3.31Å; F216-F219 HydrophobicContact CD2-CB 4.23Å; F216-F219 AromaticContact CD2-CD1 3.77Å; F216-F219 HydrophobicContact CD2-CD1 3.77Å; F216-F219 HydrophobicContact CD2-CG 4.36Å; F216-F219 AromaticContact CE2-CD1 3.71Å; F216-F219 HydrophobicContact CE2-CD1 3.71Å; F216-F219 HydrophobicContact CE2-CE1 4.14Å; F216-F219 WeakPolarHBondContact O-CB 3.18Å; F216-F219 PolarHBondContact O-N 3.43Å; F216-F220 HydrophobicContact CD1-CE2 4.11Å; F216-F220 AromaticContact CD2-CD2 3.96Å; F216-F220 HydrophobicContact CD2-CD2 3.96Å; F216-F220 AromaticContact CD2-CE2 3.6Å; F216-F220 HydrophobicContact CD2-CE2 3.6Å; F216-F220 HydrophobicContact CD2-CZ 4.19Å; F216-F220 AromaticContact CE1-CE2 3.91Å; F216-F220 HydrophobicContact CE1-CE2 3.91Å; F216-F220 HydrophobicContact CE1-CZ 4.23Å; F216-F220 HydrophobicContact CE2-CD2 4.08Å; F216-F220 HydrophobicContact CE2-CE1 4.28Å; F216-F220 AromaticContact CE2-CE2 3.36Å; F216-F220 HydrophobicContact CE2-CE2 3.36Å; F216-F220 AromaticContact CE2-CZ 3.48Å; F216-F220 HydrophobicContact CE2-CZ 3.48Å; F216-F220 VanDerWaalsContact CE2-CZ 3.48Å; F216-F220 HydrophobicContact CG-CD2 4.4Å; F216-F220 AromaticContact CG-CE2 3.98Å; F216-F220 HydrophobicContact CG-CE2 3.98Å; F216-F220 AromaticContact CZ-CE2 3.53Å; F216-F220 HydrophobicContact CZ-CE2 3.53Å; F216-F220 AromaticContact CZ-CZ 3.51Å; F216-F220 HydrophobicContact CZ-CZ 3.51Å; F216-F220 WeakPolarHBondContact O-CD2 3.49Å; F216-F220 PolarHBondContact O-N 3.3Å; F216-L233 HydrophobicContact CB-CD2 3.82Å; F216-L233 HydrophobicContact CD1-CD2 3.74Å; F216-L233 HydrophobicContact CG-CD2 3.84Å
217S98.6Very high97.4Very high0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-65.8-42.6171.564.60000111.5A213 L214 F219 F220 Y221 A230A213-S217 WeakPolarHBondContact O-CB 3.47Å; A213-S217 PolarHBondContact O-N 3.27Å; A213-S217 PolarHBondContact O-OG 3Å; L214-S217 PolarHBondContact O-OG 3.11Å; S217-F219 VanDerWaalsContact C-N 3.29Å; S217-F219 PolarHBondContact O-N 3.02Å; S217-F220 PolarHBondContact O-N 3.16Å; S217-F220 VanDerWaalsContact O-N 3.15Å; S217-Y221 PolarHBondContact O-N 2.81Å; S217-A230 WeakPolarHBondContact CB-O 3.31Å; S217-A230 WeakPolarHBondContact O-CB 3.49Å
218V97.8Very high97.4Very high22 Ų2234.5 Ų34.513%0.13318%0.182CC..Hα-helixtrans-59-40.8172.4172.50000111.3L214 F220 Y221 E222 N266 W270L214-V218 VanDerWaalsContact O-CG2 3.31Å; L214-V218 WeakPolarHBondContact O-CG2 3.39Å; L214-V218 PolarHBondContact O-N 2.98Å; L214-V218 VanDerWaalsContact O-N 3.16Å; V218-F220 PolarHBondContact O-N 3.39Å; V218-Y221 PolarHBondContact O-N 3.16Å; V218-E222 HydrophobicContact CG1-CG 4.02Å; V218-E222 WeakPolarHBondContact O-CB 3.39Å; V218-E222 PolarHBondContact O-N 2.91Å; V218-N266 WeakPolarHBondContact CG2-ND2 3.19Å; V218-W270 HydrophobicContact CG2-CH2 4.14Å; V218-W270 HydrophobicContact CG2-CZ2 4.03Å
219F98.5Very high97.5Very high0 Ų039.4 Ų39.40%020%0.198CC..Hα-helixtrans-59-46.8173.9172.4-98000112.3R169 V184 S187 Q188 Y191 N215 F216 S217 Y221 I223 L224R169-F219 HydrophobicContact CB-CD2 4.2Å; R169-F219 HydrophobicContact CG-CD2 4.21Å; V184-F219 HydrophobicContact CG1-CE2 4.42Å; V184-F219 HydrophobicContact CG1-CZ 3.94Å; S187-F219 VanDerWaalsContact CB-CE2 3.49Å; S187-F219 WeakPolarHBondContact OG-CD2 3.39Å; S187-F219 WeakPolarHBondContact OG-CE2 3.42Å; Q188-F219 HydrophobicContact CB-CE1 3.75Å; Q188-F219 HydrophobicContact CB-CZ 3.85Å; Q188-F219 HydrophobicContact CG-CE1 4.08Å; Y191-F219 HydrophobicContact CD2-CB 4.25Å; Y191-F219 HydrophobicContact CD2-CD1 4.37Å; Y191-F219 HydrophobicContact CD2-CD2 4.48Å; Y191-F219 HydrophobicContact CD2-CG 4.12Å; Y191-F219 HydrophobicContact CE2-CB 3.83Å; Y191-F219 HydrophobicContact CE2-CD2 4.12Å; Y191-F219 AromaticContact CE2-CG 3.96Å; Y191-F219 HydrophobicContact CE2-CG 3.96Å; N215-F219 PolarHBondContact O-N 3.5Å; F216-F219 HydrophobicContact CD2-CB 4.23Å; F216-F219 AromaticContact CD2-CD1 3.77Å; F216-F219 HydrophobicContact CD2-CD1 3.77Å; F216-F219 HydrophobicContact CD2-CG 4.36Å; F216-F219 AromaticContact CE2-CD1 3.71Å; F216-F219 HydrophobicContact CE2-CD1 3.71Å; F216-F219 HydrophobicContact CE2-CE1 4.14Å; F216-F219 WeakPolarHBondContact O-CB 3.18Å; F216-F219 PolarHBondContact O-N 3.43Å; S217-F219 VanDerWaalsContact C-N 3.29Å; S217-F219 PolarHBondContact O-N 3.02Å; F219-Y221 VanDerWaalsContact C-N 3.28Å; F219-Y221 PolarHBondContact O-N 3.49Å; F219-I223 HydrophobicContact CD2-CB 3.75Å; F219-I223 HydrophobicContact CD2-CG1 3.72Å; F219-I223 HydrophobicContact CD2-CG2 4.1Å; F219-I223 HydrophobicContact CE2-CB 3.81Å; F219-I223 HydrophobicContact CE2-CG1 4.16Å; F219-I223 HydrophobicContact CE2-CG2 3.65Å; F219-I223 HydrophobicContact CG-CB 4.45Å; F219-I223 HydrophobicContact CZ-CG2 4.37Å; F219-I223 WeakPolarHBondContact O-CA 3.28Å; F219-I223 VanDerWaalsContact O-CB 3.31Å; F219-I223 WeakPolarHBondContact O-CB 3.41Å; F219-I223 PolarHBondContact O-N 2.88Å; F219-L224 HydrophobicContact CD1-CD1 4.08Å; F219-L224 HydrophobicContact CD1-CG 4.36Å; F219-L224 HydrophobicContact CE1-CD1 3.36Å; F219-L224 HydrophobicContact CE1-CG 3.68Å; F219-L224 HydrophobicContact CZ-CD1 4.03Å; F219-L224 HydrophobicContact CZ-CD2 4.42Å; F219-L224 HydrophobicContact CZ-CG 3.91Å; F219-L224 PolarHBondContact O-N 2.96Å
220F98.4Very high97.6Very high17 Ų1737.9 Ų37.98%0.07519%0.192CC..Hα-helixtrans-60.1-40.4176.9-80-61.8000112.1F216 S217 V218 L224 N225 S226 R229 A230 L233F216-F220 HydrophobicContact CD1-CE2 4.11Å; F216-F220 AromaticContact CD2-CD2 3.96Å; F216-F220 HydrophobicContact CD2-CD2 3.96Å; F216-F220 AromaticContact CD2-CE2 3.6Å; F216-F220 HydrophobicContact CD2-CE2 3.6Å; F216-F220 HydrophobicContact CD2-CZ 4.19Å; F216-F220 AromaticContact CE1-CE2 3.91Å; F216-F220 HydrophobicContact CE1-CE2 3.91Å; F216-F220 HydrophobicContact CE1-CZ 4.23Å; F216-F220 HydrophobicContact CE2-CD2 4.08Å; F216-F220 HydrophobicContact CE2-CE1 4.28Å; F216-F220 AromaticContact CE2-CE2 3.36Å; F216-F220 HydrophobicContact CE2-CE2 3.36Å; F216-F220 AromaticContact CE2-CZ 3.48Å; F216-F220 HydrophobicContact CE2-CZ 3.48Å; F216-F220 VanDerWaalsContact CE2-CZ 3.48Å; F216-F220 HydrophobicContact CG-CD2 4.4Å; F216-F220 AromaticContact CG-CE2 3.98Å; F216-F220 HydrophobicContact CG-CE2 3.98Å; F216-F220 AromaticContact CZ-CE2 3.53Å; F216-F220 HydrophobicContact CZ-CE2 3.53Å; F216-F220 AromaticContact CZ-CZ 3.51Å; F216-F220 HydrophobicContact CZ-CZ 3.51Å; F216-F220 WeakPolarHBondContact O-CD2 3.49Å; F216-F220 PolarHBondContact O-N 3.3Å; S217-F220 PolarHBondContact O-N 3.16Å; S217-F220 VanDerWaalsContact O-N 3.15Å; V218-F220 PolarHBondContact O-N 3.39Å; F220-L224 HydrophobicContact CD1-CB 4.5Å; F220-L224 HydrophobicContact CD1-CD1 3.58Å; F220-L224 HydrophobicContact CE1-CD1 3.69Å; F220-L224 CarbonylContact O-C 3.57Å; F220-N225 PolarHBondContact O-N 2.93Å; F220-S226 PolarHBondContact O-N 3.42Å; F220-R229 HydrophobicContact CB-CB 4.35Å; F220-R229 HydrophobicContact CD1-CB 4Å; F220-R229 HydrophobicContact CE1-CB 4.47Å; F220-R229 HydrophobicContact CG-CB 4.05Å; F220-A230 HydrophobicContact CB-CB 3.83Å; F220-L233 HydrophobicContact CD2-CD2 4.07Å; F220-L233 HydrophobicContact CE2-CD2 3.97Å
221Y97.7Very high97.6Very high52 Ų5239 Ų3920%0.20420%0.2CC..Hα-helixtrans-71.5-59.6-179.6-167.5-88.8000111.7S217 V218 F219 N225 P227 A230 W270S217-Y221 PolarHBondContact O-N 2.81Å; V218-Y221 PolarHBondContact O-N 3.16Å; F219-Y221 VanDerWaalsContact C-N 3.28Å; F219-Y221 PolarHBondContact O-N 3.49Å; Y221-N225 WeakPolarHBondContact O-CA 3.44Å; Y221-N225 PolarHBondContact O-N 3.43Å; Y221-P227 HydrophobicContact CD2-CB 3.83Å; Y221-P227 HydrophobicContact CE2-CB 3.79Å; Y221-A230 HydrophobicContact CD2-CB 4.3Å; Y221-W270 AromaticContact CD1-NE1 3.61Å; Y221-W270 HydrophobicContact CD2-CB 4.16Å; Y221-W270 AromaticContact CD2-CD1 3.62Å; Y221-W270 AromaticContact CD2-CD2 3.68Å; Y221-W270 HydrophobicContact CD2-CD2 3.68Å; Y221-W270 AromaticContact CD2-CE2 3.81Å; Y221-W270 HydrophobicContact CD2-CE3 4.35Å; Y221-W270 AromaticContact CD2-CG 3.57Å; Y221-W270 HydrophobicContact CD2-CG 3.57Å; Y221-W270 AromaticContact CD2-NE1 3.75Å; Y221-W270 AromaticContact CE1-CD1 3.7Å; Y221-W270 AromaticContact CE1-NE1 3.69Å; Y221-W270 HydrophobicContact CE2-CB 3.69Å; Y221-W270 AromaticContact CE2-CD1 3.29Å; Y221-W270 HydrophobicContact CE2-CD2 4.05Å; Y221-W270 AromaticContact CE2-CG 3.4Å; Y221-W270 HydrophobicContact CE2-CG 3.4Å; Y221-W270 AromaticContact CE2-NE1 3.85Å; Y221-W270 AromaticContact CG-CD1 3.98Å; Y221-W270 HydrophobicContact CG-CD2 4.1Å; Y221-W270 AromaticContact CG-CE2 3.72Å; Y221-W270 HydrophobicContact CG-CG 4.25Å; Y221-W270 HydrophobicContact CG-CZ2 4.15Å; Y221-W270 AromaticContact CG-NE1 3.64Å; Y221-W270 AromaticContact CZ-CD1 3.33Å; Y221-W270 AromaticContact CZ-CG 3.94Å; Y221-W270 AromaticContact CZ-NE1 3.82Å
222E96Very high97.6Very high106 Ų10645.1 Ų45.150%0.49523%0.225SC..Hα-helixtrans-81.4-29.9-168.7-64-175.3175.500113.9V218V218-E222 HydrophobicContact CG1-CG 4.02Å; V218-E222 WeakPolarHBondContact O-CB 3.39Å; V218-E222 PolarHBondContact O-N 2.91Å
223I97.1Very high97.6Very high17 Ų1746.2 Ų46.29%0.08723%0.231CC..THydrogen-bonded Turntrans-104.8-44.9-172.1-52.2-58.4000112.3R169 A172 E173 V184 F219R169-I223 HydrophobicContact CG-CD1 4.16Å; R169-I223 HydrophobicContact CG-CG1 3.87Å; A172-I223 HydrophobicContact CB-CD1 4.49Å; A172-I223 HydrophobicContact CB-CG2 3.91Å; E173-I223 HydrophobicContact CG-CD1 3.76Å; V184-I223 HydrophobicContact CG1-CG2 4.28Å; V184-I223 HydrophobicContact CG2-CG2 3.72Å; F219-I223 HydrophobicContact CD2-CB 3.75Å; F219-I223 HydrophobicContact CD2-CG1 3.72Å; F219-I223 HydrophobicContact CD2-CG2 4.1Å; F219-I223 HydrophobicContact CE2-CB 3.81Å; F219-I223 HydrophobicContact CE2-CG1 4.16Å; F219-I223 HydrophobicContact CE2-CG2 3.65Å; F219-I223 HydrophobicContact CG-CB 4.45Å; F219-I223 HydrophobicContact CZ-CG2 4.37Å; F219-I223 WeakPolarHBondContact O-CA 3.28Å; F219-I223 VanDerWaalsContact O-CB 3.31Å; F219-I223 WeakPolarHBondContact O-CB 3.41Å; F219-I223 PolarHBondContact O-N 2.88Å
224L96.6Very high97.6Very high46 Ų4646 Ų4624%0.24123%0.229CC..THydrogen-bonded Turntrans-91.9-3.1-179.7-72.1-178.9000113.7V184 F219 F220 S226V184-L224 HydrophobicContact CG1-CD2 3.46Å; V184-L224 VanDerWaalsContact CG1-CD2 3.46Å; V184-L224 HydrophobicContact CG1-CG 4.36Å; F219-L224 HydrophobicContact CD1-CD1 4.08Å; F219-L224 HydrophobicContact CD1-CG 4.36Å; F219-L224 HydrophobicContact CE1-CD1 3.36Å; F219-L224 HydrophobicContact CE1-CG 3.68Å; F219-L224 HydrophobicContact CZ-CD1 4.03Å; F219-L224 HydrophobicContact CZ-CD2 4.42Å; F219-L224 HydrophobicContact CZ-CG 3.91Å; F219-L224 PolarHBondContact O-N 2.96Å; F220-L224 HydrophobicContact CD1-CB 4.5Å; F220-L224 HydrophobicContact CD1-CD1 3.58Å; F220-L224 HydrophobicContact CE1-CD1 3.69Å; F220-L224 CarbonylContact O-C 3.57Å; L224-S226 PolarHBondContact O-N 3.19Å; L224-S226 VanDerWaalsContact O-N 3.16Å; L224-S226 PolarHBondContact O-OG 3.45Å; L224-S226 VanDerWaalsContact O-OG 3.07Å
225N95.9Very high97.5Very high138 Ų13851 Ų5174%0.73825%0.25SC*.  trans4844-177.5-16643.2000112.2F220 Y221 P227F220-N225 PolarHBondContact O-N 2.93Å; Y221-N225 WeakPolarHBondContact O-CA 3.44Å; Y221-N225 PolarHBondContact O-N 3.43Å; N225-P227 VanDerWaalsContact C-CD 3.42Å; N225-P227 WeakPolarHBondContact O-CD 3.31Å
226S97.1Very high97.5Very high34 Ų3454 Ų5424%0.23826%0.263CS..  trans-121.367.7-175.3-66.20000109.9F220 L224 D228 R229 A230F220-S226 PolarHBondContact O-N 3.42Å; L224-S226 PolarHBondContact O-N 3.19Å; L224-S226 VanDerWaalsContact O-N 3.16Å; L224-S226 PolarHBondContact O-OG 3.45Å; L224-S226 VanDerWaalsContact O-OG 3.07Å; S226-D228 VanDerWaalsContact C-N 3.28Å; S226-D228 PolarHBondContact O-N 2.98Å; S226-R229 PolarHBondContact O-N 3.38Å; S226-R229 VanDerWaalsContact O-N 3.13Å; S226-A230 PolarHBondContact O-N 3.04Å; S226-A230 VanDerWaalsContact O-N 3.1Å
227P96.9Very high97.5Very high29 Ų2954.7 Ų54.719%0.18827%0.269CS..Hα-helixtrans-59.8-36.1-172.524.6-34.8000112.8Y221 N225 R229 A230 C231Y221-P227 HydrophobicContact CD2-CB 3.83Å; Y221-P227 HydrophobicContact CE2-CB 3.79Å; N225-P227 VanDerWaalsContact C-CD 3.42Å; N225-P227 WeakPolarHBondContact O-CD 3.31Å; P227-R229 VanDerWaalsContact C-N 3.34Å; P227-R229 PolarHBondContact O-N 3.5Å; P227-A230 WeakPolarHBondContact O-CB 3.44Å; P227-A230 PolarHBondContact O-N 3.39Å; P227-A230 VanDerWaalsContact O-N 3.17Å; P227-C231 WeakPolarHBondContact O-CB 3.45Å; P227-C231 PolarHBondContact O-N 3.15Å; P227-C231 PolarHBondContact O-SG 3.35Å; P227-C231 VanDerWaalsContact O-SG 3.41Å
228D96.3Very high97.5Very high126 Ų12656.6 Ų56.667%0.67428%0.277SS*.Hα-helixtrans-60.2-43.5177.3-63.5-27.3000112.3S226 Q232S226-D228 VanDerWaalsContact C-N 3.28Å; S226-D228 PolarHBondContact O-N 2.98Å; D228-Q232 VanDerWaalsContact O-CB 3.24Å; D228-Q232 WeakPolarHBondContact O-CB 3.28Å; D228-Q232 PolarHBondContact O-N 3.5Å
229R97.3Very high97.5Very high140 Ų14059.1 Ų59.153%0.52829%0.29SS..Hα-helixtrans-67.7-38.5176.8-69.4-172.7-177.2174.33111.4F220 S226 P227 Q232 L233F220-R229 HydrophobicContact CB-CB 4.35Å; F220-R229 HydrophobicContact CD1-CB 4Å; F220-R229 HydrophobicContact CE1-CB 4.47Å; F220-R229 HydrophobicContact CG-CB 4.05Å; S226-R229 PolarHBondContact O-N 3.38Å; S226-R229 VanDerWaalsContact O-N 3.13Å; P227-R229 VanDerWaalsContact C-N 3.34Å; P227-R229 PolarHBondContact O-N 3.5Å; R229-Q232 PolarHBondContact O-N 3.48Å; R229-L233 WeakPolarHBondContact O-CB 3.31Å; R229-L233 PolarHBondContact O-N 2.97Å
230A97.8Very high97.4Very high0 Ų061.3 Ų61.30%030%0.301CS..Hα-helixtrans-61-51.2176.200000111.2S217 F220 Y221 S226 P227 L233 A234 W270S217-A230 WeakPolarHBondContact CB-O 3.31Å; S217-A230 WeakPolarHBondContact O-CB 3.49Å; F220-A230 HydrophobicContact CB-CB 3.83Å; Y221-A230 HydrophobicContact CD2-CB 4.3Å; S226-A230 PolarHBondContact O-N 3.04Å; S226-A230 VanDerWaalsContact O-N 3.1Å; P227-A230 WeakPolarHBondContact O-CB 3.44Å; P227-A230 PolarHBondContact O-N 3.39Å; P227-A230 VanDerWaalsContact O-N 3.17Å; A230-L233 PolarHBondContact O-N 2.91Å; A230-A234 WeakPolarHBondContact O-CB 3.47Å; A230-A234 PolarHBondContact O-N 2.76Å; A230-W270 HydrophobicContact CB-CE3 4.2Å; A230-W270 HydrophobicContact CB-CH2 4.38Å; A230-W270 HydrophobicContact CB-CZ3 3.91Å
231C97.7Very high97.3Very high24 Ų2460.5 Ų60.516%0.16230%0.298CS..Hα-helixtrans-62.1-43.3177.6-71.50000111.7P227 L233 A234 K235 L267P227-C231 WeakPolarHBondContact O-CB 3.45Å; P227-C231 PolarHBondContact O-N 3.15Å; P227-C231 PolarHBondContact O-SG 3.35Å; P227-C231 VanDerWaalsContact O-SG 3.41Å; C231-L233 PolarHBondContact O-N 3.18Å; C231-A234 PolarHBondContact O-N 3.25Å; C231-K235 WeakPolarHBondContact O-CB 3.4Å; C231-K235 PolarHBondContact O-N 3.11Å; C231-L267 HydrophobicContact CB-CD2 4.17Å
232Q97.8Very high97.2Very high141 Ų14162.1 Ų62.166%0.65931%0.309SS*.Hα-helixtrans-59.9-48.3177.2-174.8-179.430.300111.6D228 R229 Q236D228-Q232 VanDerWaalsContact O-CB 3.24Å; D228-Q232 WeakPolarHBondContact O-CB 3.28Å; D228-Q232 PolarHBondContact O-N 3.5Å; R229-Q232 PolarHBondContact O-N 3.48Å; Q232-Q236 VanDerWaalsContact O-CB 3.31Å; Q232-Q236 WeakPolarHBondContact O-CB 3.49Å; Q232-Q236 PolarHBondContact O-N 3.18Å
233L98.2Very high97.2Very high24 Ų2460.7 Ų60.713%0.12632%0.315CS..Hα-helixtrans-65.8-45.5-179.4179.961.1000111.9L195 F216 F220 R229 A230 C231 Q236 A237L195-L233 HydrophobicContact CD2-CD1 4.13Å; F216-L233 HydrophobicContact CB-CD2 3.82Å; F216-L233 HydrophobicContact CD1-CD2 3.74Å; F216-L233 HydrophobicContact CG-CD2 3.84Å; F220-L233 HydrophobicContact CD2-CD2 4.07Å; F220-L233 HydrophobicContact CE2-CD2 3.97Å; R229-L233 WeakPolarHBondContact O-CB 3.31Å; R229-L233 PolarHBondContact O-N 2.97Å; A230-L233 PolarHBondContact O-N 2.91Å; C231-L233 PolarHBondContact O-N 3.18Å; L233-Q236 PolarHBondContact O-N 3.02Å; L233-A237 WeakPolarHBondContact O-CB 3.32Å; L233-A237 PolarHBondContact O-N 3.32Å
234A98.2Very high97.1Very high0 Ų063 Ų630%033%0.326CS..Hα-helixtrans-64.2-44.218000000111.7A230 C231 A237 F238 L263 L267 W270A230-A234 WeakPolarHBondContact O-CB 3.47Å; A230-A234 PolarHBondContact O-N 2.76Å; C231-A234 PolarHBondContact O-N 3.25Å; A234-A237 PolarHBondContact O-N 3.38Å; A234-F238 WeakPolarHBondContact O-CB 3.41Å; A234-F238 PolarHBondContact O-N 2.92Å; A234-L263 HydrophobicContact CB-CD2 3.89Å; A234-L267 HydrophobicContact CB-CD1 4.28Å; A234-L267 HydrophobicContact CB-CD2 3.89Å; A234-L267 HydrophobicContact CB-CG 3.94Å; A234-W270 HydrophobicContact CB-CZ3 4.23Å
235K97.7Very high96.8Very high122 Ų12262.3 Ų62.353%0.5332%0.322SS..Hα-helixtrans-63.5-47177.4-175.9176.4179.5-177.80111.6C231 A237 F238 D239 L267C231-K235 WeakPolarHBondContact O-CB 3.4Å; C231-K235 PolarHBondContact O-N 3.11Å; K235-A237 VanDerWaalsContact C-N 3.33Å; K235-A237 PolarHBondContact O-N 3.36Å; K235-F238 PolarHBondContact O-N 2.89Å; K235-D239 WeakPolarHBondContact CG-OD2 3.5Å; K235-D239 WeakPolarHBondContact O-CB 2.99Å; K235-D239 PolarHBondContact O-N 2.99Å; K235-L267 HydrophobicContact CB-CD1 4.29Å; K235-L267 HydrophobicContact CB-CD2 4.29Å
236Q98.1Very high96.5Very high96 Ų9662.5 Ų62.545%0.44932%0.323SS..Hα-helixtrans-58.4-46.1177.6-173.768.145.700111.6Q232 L233 F238 D239 D240Q232-Q236 VanDerWaalsContact O-CB 3.31Å; Q232-Q236 WeakPolarHBondContact O-CB 3.49Å; Q232-Q236 PolarHBondContact O-N 3.18Å; L233-Q236 PolarHBondContact O-N 3.02Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 2.83Å; Q236-D239 PolarHBondContact O-N 3.03Å; Q236-D240 PolarHBondContact NE2-OD1 3.3Å; Q236-D240 WeakPolarHBondContact O-CB 3.21Å; Q236-D240 PolarHBondContact O-N 3.33Å
237A98.1Very high96.1Very high14 Ų1465.5 Ų65.512%0.11634%0.34CS..Hα-helixtrans-63.7-37.4179.200000112.5A213 L233 A234 K235 A241 L263A213-A237 HydrophobicContact CB-CB 3.51Å; L233-A237 WeakPolarHBondContact O-CB 3.32Å; L233-A237 PolarHBondContact O-N 3.32Å; A234-A237 PolarHBondContact O-N 3.38Å; K235-A237 VanDerWaalsContact C-N 3.33Å; K235-A237 PolarHBondContact O-N 3.36Å; A237-A241 VanDerWaalsContact O-CB 3.28Å; A237-A241 WeakPolarHBondContact O-CB 3.32Å; A237-A241 PolarHBondContact O-N 3.49Å; A237-A241 VanDerWaalsContact O-N 3.16Å; A237-L263 HydrophobicContact CB-CD1 4.25Å
238F97.6Very high95.6Very high41 Ų4166.1 Ų66.118%0.1834%0.342CS..Hα-helixtrans-67.9-47.7176.9-173.6-94.9000111.9A234 K235 Q236 A241 I242 M260 L263 R264A234-F238 WeakPolarHBondContact O-CB 3.41Å; A234-F238 PolarHBondContact O-N 2.92Å; K235-F238 PolarHBondContact O-N 2.89Å; Q236-F238 VanDerWaalsContact C-N 3.31Å; Q236-F238 PolarHBondContact O-N 2.83Å; F238-A241 PolarHBondContact O-N 3.15Å; F238-I242 HydrophobicContact CD1-CD1 3.67Å; F238-I242 HydrophobicContact CD1-CG1 4.36Å; F238-I242 HydrophobicContact CE1-CD1 3.13Å; F238-I242 HydrophobicContact CE1-CG1 4.13Å; F238-I242 HydrophobicContact CZ-CD1 3.64Å; F238-I242 HydrophobicContact CZ-CG1 4.43Å; F238-I242 PolarHBondContact O-N 3.26Å; F238-M260 HydrophobicContact CD2-CB 4.02Å; F238-M260 HydrophobicContact CD2-CE 4.4Å; F238-M260 HydrophobicContact CD2-CG 4.5Å; F238-M260 WeakPolarHBondContact CD2-O 3.44Å; F238-M260 HydrophobicContact CE2-CB 3.96Å; F238-M260 HydrophobicContact CE2-CE 4.31Å; F238-M260 WeakPolarHBondContact CE2-O 3.29Å; F238-L263 HydrophobicContact CD2-CB 4.41Å; F238-R264 HydrophobicContact CE2-CB 4Å; F238-R264 HydrophobicContact CZ-CB 4.43Å
239D97.6Very high95.2Very high74 Ų7464.8 Ų64.840%0.39634%0.335SS..Hα-helixtrans-65.1-44.2-179.8-68.7-17.1000111.2K235 Q236 A241 I242 A243K235-D239 WeakPolarHBondContact CG-OD2 3.5Å; K235-D239 WeakPolarHBondContact O-CB 2.99Å; K235-D239 PolarHBondContact O-N 2.99Å; Q236-D239 PolarHBondContact O-N 3.03Å; D239-A241 VanDerWaalsContact C-N 3.3Å; D239-A241 PolarHBondContact O-N 3.3Å; D239-I242 PolarHBondContact O-N 2.78Å; D239-A243 PolarHBondContact O-N 3.05Å; D239-A243 VanDerWaalsContact O-N 3.15Å
240D96.8Very high94.5Very high46 Ų4664.6 Ų64.625%0.24634%0.34CS..Hα-helixtrans-60-40.1175.6-69.7-13.8000111.4P204 R209 Q236P204-D240 HydrophobicContact CB-CB 3.77Å; P204-D240 HydrophobicContact CG-CB 4.25Å; R209-D240 IonicContact NH2-OD2 2.91Å; Q236-D240 PolarHBondContact NE2-OD1 3.3Å; Q236-D240 WeakPolarHBondContact O-CB 3.21Å; Q236-D240 PolarHBondContact O-N 3.33Å
241A96.8Very high93.7Very high0 Ų070.2 Ų70.20%037%0.37CS..Hα-helixtrans-74.6-35.5-179.500000112.9T205 L210 A237 F238 D239 A243 E244 L245 M260T205-A241 HydrophobicContact CG2-CB 4.33Å; T205-A241 WeakPolarHBondContact CG2-O 3.49Å; L210-A241 HydrophobicContact CD2-CB 3.8Å; A237-A241 VanDerWaalsContact O-CB 3.28Å; A237-A241 WeakPolarHBondContact O-CB 3.32Å; A237-A241 PolarHBondContact O-N 3.49Å; A237-A241 VanDerWaalsContact O-N 3.16Å; F238-A241 PolarHBondContact O-N 3.15Å; D239-A241 VanDerWaalsContact C-N 3.3Å; D239-A241 PolarHBondContact O-N 3.3Å; A241-A243 VanDerWaalsContact C-N 3.28Å; A241-A243 PolarHBondContact O-N 3.13Å; A241-E244 PolarHBondContact O-N 2.95Å; A241-L245 WeakPolarHBondContact O-CB 3.45Å; A241-L245 PolarHBondContact O-N 3.37Å; A241-L245 VanDerWaalsContact O-N 3.16Å; A241-M260 HydrophobicContact CB-CE 3.98Å; A241-M260 HydrophobicContact CB-CG 4.27Å; A241-M260 HydrophobicContact CB-SD 3.89Å
242I95.9Very high93.1Very high87 Ų8771 Ų7145%0.44638%0.375SS..Hα-helixtrans-59.7-41.6172.7-80.9-177.7000111F238 D239 E244 L245 M260F238-I242 HydrophobicContact CD1-CD1 3.67Å; F238-I242 HydrophobicContact CD1-CG1 4.36Å; F238-I242 HydrophobicContact CE1-CD1 3.13Å; F238-I242 HydrophobicContact CE1-CG1 4.13Å; F238-I242 HydrophobicContact CZ-CD1 3.64Å; F238-I242 HydrophobicContact CZ-CG1 4.43Å; F238-I242 PolarHBondContact O-N 3.26Å; D239-I242 PolarHBondContact O-N 2.78Å; I242-E244 PolarHBondContact O-N 3.22Å; I242-E244 VanDerWaalsContact O-N 3.16Å; I242-L245 PolarHBondContact O-N 3.47Å; I242-M260 HydrophobicContact CB-CE 4.43Å; I242-M260 HydrophobicContact CD1-CE 4.46Å; I242-M260 HydrophobicContact CG1-CE 3.46Å; I242-M260 VanDerWaalsContact CG1-CE 3.46Å
243A95.6Very high92.7Very high75 Ų7569.4 Ų69.462%0.6236%0.364SS*.THydrogen-bonded Turntrans-63-20.9-175.700000114D239 A241D239-A243 PolarHBondContact O-N 3.05Å; D239-A243 VanDerWaalsContact O-N 3.15Å; A241-A243 VanDerWaalsContact C-N 3.28Å; A241-A243 PolarHBondContact O-N 3.13Å
244E94.3Very high92.4Very high65 Ų6573.6 Ų73.630%0.30438%0.381SS..THydrogen-bonded Turntrans-122.310.5-177.6-60.9-175.7-155.500113Q203 P204 T205 A241 I242 D246 T247Q203-E244 PolarHBondContact OE1-OE2 3.47Å; P204-E244 WeakPolarHBondContact CD-OE2 3.45Å; T205-E244 HydrophobicContact CG2-CB 4.11Å; A241-E244 PolarHBondContact O-N 2.95Å; I242-E244 PolarHBondContact O-N 3.22Å; I242-E244 VanDerWaalsContact O-N 3.16Å; E244-D246 VanDerWaalsContact C-N 3.27Å; E244-D246 PolarHBondContact O-N 3.06Å; E244-T247 WeakPolarHBondContact O-CB 3.44Å; E244-T247 PolarHBondContact O-N 3.36Å; E244-T247 VanDerWaalsContact O-N 3.15Å; E244-T247 PolarHBondContact O-OG1 3Å
245L91.3Very high92.1Very high33 Ų3378.1 Ų78.117%0.17341%0.405CS..G310 helixtrans-65.5-30.1-171.5-166.669.6000113.2A241 I242 T247 L248 Y253 T257 M260A241-L245 WeakPolarHBondContact O-CB 3.45Å; A241-L245 PolarHBondContact O-N 3.37Å; A241-L245 VanDerWaalsContact O-N 3.16Å; I242-L245 PolarHBondContact O-N 3.47Å; L245-T247 PolarHBondContact O-N 2.99Å; L245-L248 HydrophobicContact CD1-CD1 3.83Å; L245-L248 PolarHBondContact O-N 3.31Å; L245-Y253 HydrophobicContact CD1-CD2 4.31Å; L245-Y253 HydrophobicContact CD1-CE2 4.23Å; L245-Y253 HydrophobicContact CD2-CE2 3.88Å; L245-Y253 HydrophobicContact CG-CD2 4.18Å; L245-Y253 HydrophobicContact CG-CE2 3.73Å; L245-T257 HydrophobicContact CD1-CG2 4.11Å; L245-T257 HydrophobicContact CD2-CG2 4.26Å; L245-M260 HydrophobicContact CD1-CE 4.39Å; L245-M260 HydrophobicContact CD1-SD 3.8Å
246D90.2Very high91.9Very high142 Ų14272.3 Ų72.376%0.75938%0.38SS*.G310 helixtrans-68.3-13.2178.263.3-36.8000113.5E244E244-D246 VanDerWaalsContact C-N 3.27Å; E244-D246 PolarHBondContact O-N 3.06Å
247T87.2Confident91.8Very high96 Ų9669.8 Ų69.859%0.58937%0.371SS*.G310 helixtrans-86.6-7.6-179.971.50000114E244 L245E244-T247 WeakPolarHBondContact O-CB 3.44Å; E244-T247 PolarHBondContact O-N 3.36Å; E244-T247 VanDerWaalsContact O-N 3.15Å; E244-T247 PolarHBondContact O-OG1 3Å; L245-T247 PolarHBondContact O-N 2.99Å
248L88Confident91.6Very high42 Ų4274.4 Ų74.422%0.2239%0.394CS..  trans-81.9147.9-172.6-68.8-179.3000113.9T205 L245 Y253T205-L248 HydrophobicContact CG2-CD1 4.09Å; T205-L248 HydrophobicContact CG2-CD2 4.44Å; T205-L248 HydrophobicContact CG2-CG 4.25Å; T205-L248 WeakPolarHBondContact OG1-CD2 3.38Å; L245-L248 HydrophobicContact CD1-CD1 3.83Å; L245-L248 PolarHBondContact O-N 3.31Å; L248-Y253 HydrophobicContact CB-CD2 4.38Å; L248-Y253 HydrophobicContact CD1-CD2 4.48Å
249N87.1Confident91.5Very high99 Ų9973.9 Ų73.953%0.52939%0.392SS..  trans-75.6165163.465.538.5000111.4D251 S252 Y253N249-D251 PolarHBondContact O-N 2.89Å; N249-S252 PolarHBondContact O-N 3.16Å; N249-S252 WeakPolarHBondContact OD1-CB 3.43Å; N249-S252 PolarHBondContact OD1-N 2.85Å; N249-S252 PolarHBondContact OD1-OG 3.27Å; N249-Y253 WeakPolarHBondContact O-CB 3.37Å; N249-Y253 PolarHBondContact O-N 3.17Å
250E83.4Confident91.5Very high135 Ų13570.8 Ų70.863%0.63138%0.376SS*.Hα-helixtrans-59-42.4-172.2-165.2-173.5155.200113.7Y253 K254E250-Y253 WeakPolarHBondContact O-CB 3.38Å; E250-Y253 PolarHBondContact O-N 3.43Å; E250-K254 PolarHBondContact O-N 3.13Å; E250-K254 WeakPolarHBondContact OE1-CE 3.48Å; E250-K254 IonicContact OE1-NZ 2.86Å; E250-K254 PolarHBondContact OE1-NZ 3.12Å
251D80.5Confident91.5Very high119 Ų11971.5 Ų71.564%0.63638%0.378SS*.Hα-helixtrans-68.8-46.6-178.2-68.1-24.9000111.3N249 Y253 K254 D255N249-D251 PolarHBondContact O-N 2.89Å; D251-Y253 VanDerWaalsContact C-N 3.26Å; D251-Y253 PolarHBondContact O-N 3.07Å; D251-K254 PolarHBondContact O-N 3.27Å; D251-D255 PolarHBondContact O-N 3.5Å
252S84.6Confident91.5Very high39 Ų3975.3 Ų75.327%0.27340%0.398SS..Hα-helixtrans-66.3-32.3177.2-520000111.5N249 S256N249-S252 PolarHBondContact O-N 3.16Å; N249-S252 WeakPolarHBondContact OD1-CB 3.43Å; N249-S252 PolarHBondContact OD1-N 2.85Å; N249-S252 PolarHBondContact OD1-OG 3.27Å; S252-S256 VanDerWaalsContact O-CB 3.24Å; S252-S256 WeakPolarHBondContact O-CB 3.24Å; S252-S256 PolarHBondContact O-N 3.03Å; S252-S256 PolarHBondContact O-OG 3.37Å
253Y90.2Very high91.5Very high108 Ų10871.2 Ų71.242%0.42438%0.376SS..Hα-helixtrans-61.7-45.2177.4-175.8-87.6000111.6L245 L248 N249 E250 D251 S256 T257L245-Y253 HydrophobicContact CD1-CD2 4.31Å; L245-Y253 HydrophobicContact CD1-CE2 4.23Å; L245-Y253 HydrophobicContact CD2-CE2 3.88Å; L245-Y253 HydrophobicContact CG-CD2 4.18Å; L245-Y253 HydrophobicContact CG-CE2 3.73Å; L248-Y253 HydrophobicContact CB-CD2 4.38Å; L248-Y253 HydrophobicContact CD1-CD2 4.48Å; N249-Y253 WeakPolarHBondContact O-CB 3.37Å; N249-Y253 PolarHBondContact O-N 3.17Å; E250-Y253 WeakPolarHBondContact O-CB 3.38Å; E250-Y253 PolarHBondContact O-N 3.43Å; D251-Y253 VanDerWaalsContact C-N 3.26Å; D251-Y253 PolarHBondContact O-N 3.07Å; Y253-S256 PolarHBondContact O-N 3.22Å; Y253-T257 HydrophobicContact CD1-CG2 4.05Å; Y253-T257 HydrophobicContact CD2-CG2 4.43Å; Y253-T257 HydrophobicContact CE1-CG2 3.72Å; Y253-T257 HydrophobicContact CE2-CG2 4.15Å; Y253-T257 HydrophobicContact CG-CG2 4.38Å; Y253-T257 WeakPolarHBondContact O-CB 3.35Å; Y253-T257 VanDerWaalsContact O-CG2 3.28Å; Y253-T257 WeakPolarHBondContact O-CG2 3.41Å; Y253-T257 PolarHBondContact O-N 3.1Å; Y253-T257 PolarHBondContact O-OG1 3.38Å
254K91.4Very high91.6Very high112 Ų11273.3 Ų73.349%0.48737%0.368SS..Hα-helixtrans-62.1-48.7179.3-72.4172.2-173.8157.30111.7E250 D251 S256 T257 L258E250-K254 PolarHBondContact O-N 3.13Å; E250-K254 WeakPolarHBondContact OE1-CE 3.48Å; E250-K254 IonicContact OE1-NZ 2.86Å; E250-K254 PolarHBondContact OE1-NZ 3.12Å; D251-K254 PolarHBondContact O-N 3.27Å; K254-S256 PolarHBondContact O-N 3.41Å; K254-T257 PolarHBondContact O-OG1 2.86Å; K254-T257 VanDerWaalsContact O-OG1 3.12Å; K254-L258 WeakPolarHBondContact O-CB 3.38Å; K254-L258 PolarHBondContact O-N 2.88Å; K254-L258 VanDerWaalsContact O-N 3.11Å
255D90.9Very high91.8Very high95 Ų9573.6 Ų73.651%0.50837%0.372SS..Hα-helixtrans-65.3-42.1-179.5-73.4-11.7000112.1P207 D251 I259P207-D255 HydrophobicContact CB-CB 4.27Å; P207-D255 HydrophobicContact CG-CB 3.81Å; D251-D255 PolarHBondContact O-N 3.5Å; D255-I259 WeakPolarHBondContact O-CG1 3.45Å; D255-I259 PolarHBondContact O-N 3.45Å
256S94.6Very high91.9Very high0 Ų073.8 Ų73.80%037%0.373CS..Hα-helixtrans-67.7-45.9-178.3-52.30000111.4T205 S252 Y253 K254 L258 I259 M260T205-S256 WeakPolarHBondContact O-CB 3.44Å; T205-S256 PolarHBondContact O-OG 3.32Å; S252-S256 VanDerWaalsContact O-CB 3.24Å; S252-S256 WeakPolarHBondContact O-CB 3.24Å; S252-S256 PolarHBondContact O-N 3.03Å; S252-S256 PolarHBondContact O-OG 3.37Å; Y253-S256 PolarHBondContact O-N 3.22Å; K254-S256 PolarHBondContact O-N 3.41Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.04Å; S256-I259 PolarHBondContact O-N 3.15Å; S256-M260 VanDerWaalsContact O-CG 3.25Å; S256-M260 WeakPolarHBondContact O-CG 3.46Å; S256-M260 PolarHBondContact O-N 2.86Å
257T95.4Very high92.2Very high43 Ų4368.3 Ų68.326%0.26434%0.344SS..Hα-helixtrans-65.4-34.5179.352.30000112.5L245 Y253 K254 I259 M260 Q261L245-T257 HydrophobicContact CD1-CG2 4.11Å; L245-T257 HydrophobicContact CD2-CG2 4.26Å; Y253-T257 HydrophobicContact CD1-CG2 4.05Å; Y253-T257 HydrophobicContact CD2-CG2 4.43Å; Y253-T257 HydrophobicContact CE1-CG2 3.72Å; Y253-T257 HydrophobicContact CE2-CG2 4.15Å; Y253-T257 HydrophobicContact CG-CG2 4.38Å; Y253-T257 WeakPolarHBondContact O-CB 3.35Å; Y253-T257 VanDerWaalsContact O-CG2 3.28Å; Y253-T257 WeakPolarHBondContact O-CG2 3.41Å; Y253-T257 PolarHBondContact O-N 3.1Å; Y253-T257 PolarHBondContact O-OG1 3.38Å; K254-T257 PolarHBondContact O-OG1 2.86Å; K254-T257 VanDerWaalsContact O-OG1 3.12Å; T257-I259 PolarHBondContact O-N 3Å; T257-M260 PolarHBondContact O-N 3Å; T257-Q261 WeakPolarHBondContact O-CB 3.14Å; T257-Q261 PolarHBondContact O-N 3.49Å
258L94.2Very high92.6Very high112 Ų11267.5 Ų67.559%0.58634%0.339SS*.Hα-helixtrans-61.9-42173.1-178.262.8000111.9K254 S256 Q261 L262K254-L258 WeakPolarHBondContact O-CB 3.38Å; K254-L258 PolarHBondContact O-N 2.88Å; K254-L258 VanDerWaalsContact O-N 3.11Å; S256-L258 VanDerWaalsContact C-N 3.32Å; S256-L258 PolarHBondContact O-N 3.04Å; L258-Q261 WeakPolarHBondContact O-CB 3.46Å; L258-Q261 PolarHBondContact O-N 3.42Å; L258-L262 PolarHBondContact O-N 2.85Å
259I95.7Very high92.9Very high29 Ų2969.9 Ų69.915%0.14935%0.351CS..Hα-helixtrans-73.9-38.4179.1-58.2166.5000111.1P207 L210 L214 D255 S256 T257 Q261 L262 L263P207-I259 HydrophobicContact CB-CD1 3.87Å; P207-I259 WeakPolarHBondContact O-CD1 3.49Å; L210-I259 HydrophobicContact CB-CB 4.15Å; L210-I259 HydrophobicContact CB-CD1 4.37Å; L210-I259 HydrophobicContact CB-CG2 3.65Å; L214-I259 HydrophobicContact CD2-CG2 4.26Å; D255-I259 WeakPolarHBondContact O-CG1 3.45Å; D255-I259 PolarHBondContact O-N 3.45Å; S256-I259 PolarHBondContact O-N 3.15Å; T257-I259 PolarHBondContact O-N 3Å; I259-Q261 PolarHBondContact O-N 3.27Å; I259-L262 WeakPolarHBondContact O-CB 3.37Å; I259-L262 PolarHBondContact O-N 3.25Å; I259-L262 VanDerWaalsContact O-N 3.13Å; I259-L263 PolarHBondContact O-N 3.38Å
260M97.5Very high93.3Very high9 Ų965.5 Ų65.54%0.04433%0.327CS..Hα-helixtrans-60.1-36.8173.5-70.3169.371.500111.7L210 F238 A241 I242 L245 S256 T257 L263 R264L210-M260 HydrophobicContact CD1-CG 4.04Å; L210-M260 HydrophobicContact CD2-CG 4.24Å; F238-M260 HydrophobicContact CD2-CB 4.02Å; F238-M260 HydrophobicContact CD2-CE 4.4Å; F238-M260 HydrophobicContact CD2-CG 4.5Å; F238-M260 WeakPolarHBondContact CD2-O 3.44Å; F238-M260 HydrophobicContact CE2-CB 3.96Å; F238-M260 HydrophobicContact CE2-CE 4.31Å; F238-M260 WeakPolarHBondContact CE2-O 3.29Å; A241-M260 HydrophobicContact CB-CE 3.98Å; A241-M260 HydrophobicContact CB-CG 4.27Å; A241-M260 HydrophobicContact CB-SD 3.89Å; I242-M260 HydrophobicContact CB-CE 4.43Å; I242-M260 HydrophobicContact CD1-CE 4.46Å; I242-M260 HydrophobicContact CG1-CE 3.46Å; I242-M260 VanDerWaalsContact CG1-CE 3.46Å; L245-M260 HydrophobicContact CD1-CE 4.39Å; L245-M260 HydrophobicContact CD1-SD 3.8Å; S256-M260 VanDerWaalsContact O-CG 3.25Å; S256-M260 WeakPolarHBondContact O-CG 3.46Å; S256-M260 PolarHBondContact O-N 2.86Å; T257-M260 PolarHBondContact O-N 3Å; M260-L263 WeakPolarHBondContact O-CB 3.25Å; M260-L263 PolarHBondContact O-N 3.03Å; M260-R264 PolarHBondContact O-N 2.91Å
261Q97.2Very high93.6Very high62 Ų6262.9 Ų62.929%0.2932%0.32SS..Hα-helixtrans-59.9-45.4173.6-179.654.741.200111.4T257 L258 I259 L263 R264 D265T257-Q261 WeakPolarHBondContact O-CB 3.14Å; T257-Q261 PolarHBondContact O-N 3.49Å; L258-Q261 WeakPolarHBondContact O-CB 3.46Å; L258-Q261 PolarHBondContact O-N 3.42Å; I259-Q261 PolarHBondContact O-N 3.27Å; Q261-L263 PolarHBondContact O-N 3Å; Q261-R264 WeakPolarHBondContact O-CB 3.46Å; Q261-R264 PolarHBondContact O-N 3.07Å; Q261-D265 PolarHBondContact NE2-OD1 2.87Å; Q261-D265 PolarHBondContact NE2-OD2 2.93Å; Q261-D265 PolarHBondContact O-N 2.66Å
262L95.9Very high93.9Very high80 Ų8061.1 Ų61.142%0.41931%0.314SS..Hα-helixtrans-63.2-39.5176.4-63.6173.5000112.6L214 L258 I259 R264 D265 N266L214-L262 HydrophobicContact CD1-CB 4.16Å; L214-L262 HydrophobicContact CD2-CB 3.88Å; L214-L262 HydrophobicContact CD2-CD1 3.91Å; L258-L262 PolarHBondContact O-N 2.85Å; I259-L262 WeakPolarHBondContact O-CB 3.37Å; I259-L262 PolarHBondContact O-N 3.25Å; I259-L262 VanDerWaalsContact O-N 3.13Å; L262-R264 VanDerWaalsContact C-N 3.34Å; L262-D265 PolarHBondContact O-N 3.36Å; L262-N266 PolarHBondContact O-N 3.02Å
263L97.3Very high93.6Very high0 Ų063.1 Ų63.10%032%0.322CS..Hα-helixtrans-59.8-44.7173.6-77.2168.5000111.5L210 L214 A234 A237 F238 I259 M260 Q261 N266 L267L210-L263 HydrophobicContact CD2-CD1 4.09Å; L214-L263 HydrophobicContact CB-CD2 3.93Å; L214-L263 HydrophobicContact CB-CG 4.3Å; L214-L263 HydrophobicContact CD1-CD2 3.88Å; L214-L263 HydrophobicContact CD1-CG 4.15Å; A234-L263 HydrophobicContact CB-CD2 3.89Å; A237-L263 HydrophobicContact CB-CD1 4.25Å; F238-L263 HydrophobicContact CD2-CB 4.41Å; I259-L263 PolarHBondContact O-N 3.38Å; M260-L263 WeakPolarHBondContact O-CB 3.25Å; M260-L263 PolarHBondContact O-N 3.03Å; Q261-L263 PolarHBondContact O-N 3Å; L263-N266 PolarHBondContact O-N 3.46Å; L263-L267 WeakPolarHBondContact O-CG 3.35Å; L263-L267 PolarHBondContact O-N 3.36Å
264R97.2Very high92.6Very high120 Ų12060.8 Ų60.845%0.45332%0.317SS..Hα-helixtrans-63.6-40.9177.7-173-175.175-175.76112.2F238 M260 Q261 L262 L267 T268F238-R264 HydrophobicContact CE2-CB 4Å; F238-R264 HydrophobicContact CZ-CB 4.43Å; M260-R264 PolarHBondContact O-N 2.91Å; Q261-R264 WeakPolarHBondContact O-CB 3.46Å; Q261-R264 PolarHBondContact O-N 3.07Å; L262-R264 VanDerWaalsContact C-N 3.34Å; R264-L267 PolarHBondContact O-N 3.48Å; R264-T268 PolarHBondContact O-N 2.73Å; R264-T268 PolarHBondContact O-OG1 3.22Å
265D97.3Very high91.2Very high70 Ų7058.7 Ų58.737%0.37432%0.321SS..Hα-helixtrans-65.6-43.4-179.3-65.3-14.9000110.4Q261 L262 T268 L269Q261-D265 PolarHBondContact NE2-OD1 2.87Å; Q261-D265 PolarHBondContact NE2-OD2 2.93Å; Q261-D265 PolarHBondContact O-N 2.66Å; L262-D265 PolarHBondContact O-N 3.36Å; D265-T268 PolarHBondContact O-N 3.32Å; D265-L269 PolarHBondContact O-N 2.64Å
266N95.1Very high89.4Confident37 Ų3757 Ų5720%0.19833%0.325CS..Hα-helixtrans-60.6-47172.7-78.31.9000112.5L214 V218 L262 L263 T268 L269 W270L214-N266 WeakPolarHBondContact CD1-ND2 3.31Å; V218-N266 WeakPolarHBondContact CG2-ND2 3.19Å; L262-N266 PolarHBondContact O-N 3.02Å; L263-N266 PolarHBondContact O-N 3.46Å; N266-T268 VanDerWaalsContact C-N 3.28Å; N266-T268 PolarHBondContact O-N 3.5Å; N266-L269 PolarHBondContact O-N 3.01Å; N266-W270 HydrophobicContact CB-CD2 4.22Å; N266-W270 HydrophobicContact CB-CE3 4.2Å; N266-W270 HydrophobicContact CB-CH2 3.75Å; N266-W270 HydrophobicContact CB-CZ2 3.74Å; N266-W270 HydrophobicContact CB-CZ3 3.98Å; N266-W270 WeakPolarHBondContact O-CB 3.46Å; N266-W270 VanDerWaalsContact O-CD2 3.25Å; N266-W270 PolarHBondContact O-N 3.27Å
267L96.3Very high87.4Confident28 Ų2864.4 Ų64.415%0.14737%0.365CS..Hα-helixtrans-59-41.3177.4-78.1168.4000112C231 A234 K235 L263 R264 T271C231-L267 HydrophobicContact CB-CD2 4.17Å; A234-L267 HydrophobicContact CB-CD1 4.28Å; A234-L267 HydrophobicContact CB-CD2 3.89Å; A234-L267 HydrophobicContact CB-CG 3.94Å; K235-L267 HydrophobicContact CB-CD1 4.29Å; K235-L267 HydrophobicContact CB-CD2 4.29Å; L263-L267 WeakPolarHBondContact O-CG 3.35Å; L263-L267 PolarHBondContact O-N 3.36Å; R264-L267 PolarHBondContact O-N 3.48Å; L267-T271 WeakPolarHBondContact O-CB 3.34Å; L267-T271 VanDerWaalsContact O-CG2 3.25Å; L267-T271 WeakPolarHBondContact O-CG2 3.43Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 3.49Å
268T95.6Very high85.2Confident78 Ų7870.9 Ų70.948%0.47939%0.392SS..Hα-helixtrans-61.2-50.5177.3-57.40000110.2R264 D265 N266 W270 T271 T272R264-T268 PolarHBondContact O-N 2.73Å; R264-T268 PolarHBondContact O-OG1 3.22Å; D265-T268 PolarHBondContact O-N 3.32Å; N266-T268 VanDerWaalsContact C-N 3.28Å; N266-T268 PolarHBondContact O-N 3.5Å; T268-W270 PolarHBondContact O-N 3.32Å; T268-T271 PolarHBondContact O-N 3.46Å; T268-T271 PolarHBondContact O-OG1 3.16Å; T268-T271 VanDerWaalsContact O-OG1 3.12Å; T268-T272 WeakPolarHBondContact O-CG2 3.46Å; T268-T272 PolarHBondContact O-N 3.28Å; T268-T272 VanDerWaalsContact O-N 3.12Å; T268-T272 PolarHBondContact O-OG1 3.32Å; T268-T272 VanDerWaalsContact O-OG1 3.1Å
269L94.3Very high82.7Confident92 Ų9268.7 Ų68.748%0.48240%0.397SS..Hα-helixtrans-59.1-49.2179.4-176.368.4000112.1D265 N266 T271 T272 D273D265-L269 PolarHBondContact O-N 2.64Å; N266-L269 PolarHBondContact O-N 3.01Å; L269-T271 PolarHBondContact O-N 2.82Å; L269-T272 PolarHBondContact O-N 3.44Å; L269-T272 PolarHBondContact O-OG1 3.12Å; L269-D273 PolarHBondContact O-N 3.29Å
270W94.6Very high80.2Confident7 Ų774.9 Ų74.93%0.02743%0.43CS..Hα-helixtrans-71.1-31.6-174.8-58.9-24.4000113.4V218 Y221 A230 A234 N266 T268 N274V218-W270 HydrophobicContact CG2-CH2 4.14Å; V218-W270 HydrophobicContact CG2-CZ2 4.03Å; Y221-W270 AromaticContact CD1-NE1 3.61Å; Y221-W270 HydrophobicContact CD2-CB 4.16Å; Y221-W270 AromaticContact CD2-CD1 3.62Å; Y221-W270 AromaticContact CD2-CD2 3.68Å; Y221-W270 HydrophobicContact CD2-CD2 3.68Å; Y221-W270 AromaticContact CD2-CE2 3.81Å; Y221-W270 HydrophobicContact CD2-CE3 4.35Å; Y221-W270 AromaticContact CD2-CG 3.57Å; Y221-W270 HydrophobicContact CD2-CG 3.57Å; Y221-W270 AromaticContact CD2-NE1 3.75Å; Y221-W270 AromaticContact CE1-CD1 3.7Å; Y221-W270 AromaticContact CE1-NE1 3.69Å; Y221-W270 HydrophobicContact CE2-CB 3.69Å; Y221-W270 AromaticContact CE2-CD1 3.29Å; Y221-W270 HydrophobicContact CE2-CD2 4.05Å; Y221-W270 AromaticContact CE2-CG 3.4Å; Y221-W270 HydrophobicContact CE2-CG 3.4Å; Y221-W270 AromaticContact CE2-NE1 3.85Å; Y221-W270 AromaticContact CG-CD1 3.98Å; Y221-W270 HydrophobicContact CG-CD2 4.1Å; Y221-W270 AromaticContact CG-CE2 3.72Å; Y221-W270 HydrophobicContact CG-CG 4.25Å; Y221-W270 HydrophobicContact CG-CZ2 4.15Å; Y221-W270 AromaticContact CG-NE1 3.64Å; Y221-W270 AromaticContact CZ-CD1 3.33Å; Y221-W270 AromaticContact CZ-CG 3.94Å; Y221-W270 AromaticContact CZ-NE1 3.82Å; A230-W270 HydrophobicContact CB-CE3 4.2Å; A230-W270 HydrophobicContact CB-CH2 4.38Å; A230-W270 HydrophobicContact CB-CZ3 3.91Å; A234-W270 HydrophobicContact CB-CZ3 4.23Å; N266-W270 HydrophobicContact CB-CD2 4.22Å; N266-W270 HydrophobicContact CB-CE3 4.2Å; N266-W270 HydrophobicContact CB-CH2 3.75Å; N266-W270 HydrophobicContact CB-CZ2 3.74Å; N266-W270 HydrophobicContact CB-CZ3 3.98Å; N266-W270 WeakPolarHBondContact O-CB 3.46Å; N266-W270 VanDerWaalsContact O-CD2 3.25Å; N266-W270 PolarHBondContact O-N 3.27Å; T268-W270 PolarHBondContact O-N 3.32Å; W270-N274 PolarHBondContact O-N 3.43Å; W270-N274 PolarHBondContact O-OD1 3.15Å
271T89.9Confident77.3Confident80 Ų8077.9 Ų77.949%0.49146%0.464SS..Hα-helixtrans-75.4-30.8175.653.10000112.3L267 T268 L269 A275L267-T271 WeakPolarHBondContact O-CB 3.34Å; L267-T271 VanDerWaalsContact O-CG2 3.25Å; L267-T271 WeakPolarHBondContact O-CG2 3.43Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 3.49Å; T268-T271 PolarHBondContact O-N 3.46Å; T268-T271 PolarHBondContact O-OG1 3.16Å; T268-T271 VanDerWaalsContact O-OG1 3.12Å; L269-T271 PolarHBondContact O-N 2.82Å; T271-A275 WeakPolarHBondContact O-CB 3.39Å; T271-A275 PolarHBondContact O-N 3.1Å
272T87.1Confident74.5Confident82 Ų8278.2 Ų78.250%0.50348%0.483SS..Hα-helixtrans-72.8-38.5173.851.90000112.6T268 L269 A275T268-T272 WeakPolarHBondContact O-CG2 3.46Å; T268-T272 PolarHBondContact O-N 3.28Å; T268-T272 VanDerWaalsContact O-N 3.12Å; T268-T272 PolarHBondContact O-OG1 3.32Å; T268-T272 VanDerWaalsContact O-OG1 3.1Å; L269-T272 PolarHBondContact O-N 3.44Å; L269-T272 PolarHBondContact O-OG1 3.12Å; T272-A275 PolarHBondContact O-N 3.03Å
273D77.6Confident71.6Confident82 Ų8277.7 Ų77.744%0.43950%0.498SS..Hα-helixtrans-65.7-42.7179.2-71.2-12.8000111.1L269 A275 G276L269-D273 PolarHBondContact O-N 3.29Å; D273-A275 VanDerWaalsContact C-N 3.34Å; D273-A275 PolarHBondContact O-N 3.12Å; D273-G276 PolarHBondContact O-N 3.45Å
274N68.9Low68.8Low58 Ų5886.8 Ų86.831%0.3154%0.54SS..Hα-helixtrans-69.9-28.5178.7-74.316.3000113.3W270 G276 D277W270-N274 PolarHBondContact O-N 3.43Å; W270-N274 PolarHBondContact O-OD1 3.15Å; N274-G276 PolarHBondContact O-N 3.35Å; N274-D277 PolarHBondContact O-N 3.39Å
275A61.7Low66.3Low69 Ų6989.9 Ų89.957%0.5756%0.56SS**Hα-helixtrans-70.7-17.6177.200000113.2T271 T272 D273T271-A275 WeakPolarHBondContact O-CB 3.39Å; T271-A275 PolarHBondContact O-N 3.1Å; T272-A275 PolarHBondContact O-N 3.03Å; D273-A275 VanDerWaalsContact C-N 3.34Å; D273-A275 PolarHBondContact O-N 3.12Å
276G54.2Low63.8Low59 Ų5994.1 Ų94.161%0.60858%0.582SS**Hα-helixtrans-75.6-27.6176.500000114.2D273 N274D273-G276 PolarHBondContact O-N 3.45Å; N274-G276 PolarHBondContact O-N 3.35Å
277D53.1Low61.5Low155 Ų15596.4 Ų96.483%0.82961%0.607SS**Hα-helixtrans-85.5-17.1-177-96.2-7000113.5N274 G279N274-D277 PolarHBondContact O-N 3.39Å; D277-G279 VanDerWaalsContact C-N 3.28Å; D277-G279 PolarHBondContact O-N 3.41Å
278E48.1Very low59.2Low179 Ų179101.1 Ų101.184%0.83664%0.639SS**THydrogen-bonded Turntrans-86.17.6178.5-64.8-16816000113.8
279G42.2Very low56.8Low66 Ų66104.1 Ų104.168%0.6866%0.657SS**THydrogen-bonded Turntrans-98.7-6.4-170.700000118.1D277D277-G279 VanDerWaalsContact C-N 3.28Å; D277-G279 PolarHBondContact O-N 3.41Å
280D42.2Very low54.9Low159 Ų159103.4 Ų103.485%0.8567%0.672SS**  trans-11544.4-177.6-158.621000113.3G282D280-G282 VanDerWaalsContact C-N 3.29Å; D280-G282 PolarHBondContact O-N 3.47Å
281G37.5Very low52.3Low73 Ų73116 Ų11675%0.75373%0.731SS**  trans-92.757.416300000110.6G283G281-G283 PolarHBondContact O-N 3Å
282G38Very low50.4Low68 Ų68117.8 Ų117.870%0.70174%0.743SS**  trans-57.4104.4174.800000110.6D280 E284D280-G282 VanDerWaalsContact C-N 3.29Å; D280-G282 PolarHBondContact O-N 3.47Å; G282-E284 PolarHBondContact O-N 2.97Å
283G34.6Very low48.5Very low70 Ų70119.6 Ų119.672%0.72276%0.755SS**  trans-60.7104173.300000110.6G281 Q285G281-G283 PolarHBondContact O-N 3Å; G283-Q285 VanDerWaalsContact C-N 3.26Å; G283-Q285 PolarHBondContact O-N 2.98Å
284E38.6Very low46.9Very low190 Ų190121.7 Ų121.789%0.88877%0.773SS**  trans-69.190.1160.3-137168.3-176.300106.7G282 D286G282-E284 PolarHBondContact O-N 2.97Å; E284-D286 PolarHBondContact O-N 3.27Å
285Q45Very low45.6Very low185 Ų185125.5 Ų125.586%0.86480%0.8SS**  trans-73.1108.6166-77.5-179.210.500107.6G283 A287G283-Q285 VanDerWaalsContact C-N 3.26Å; G283-Q285 PolarHBondContact O-N 2.98Å; Q285-A287 PolarHBondContact O-N 3.26Å; Q285-A287 VanDerWaalsContact O-N 3.12Å
286D44.9Very low44.6Very low159 Ų159129 Ų12985%0.8582%0.815SS**  trans-43.3114167.9-80.7-43.1000111.1E284E284-D286 PolarHBondContact O-N 3.27Å
287A46.7Very low43.9Very low86 Ų86133.7 Ų133.771%0.71183%0.828SS**  trans-73.3130.3165.400000108.7Q285 T289Q285-A287 PolarHBondContact O-N 3.26Å; Q285-A287 VanDerWaalsContact O-N 3.12Å; A287-T289 PolarHBondContact O-N 3.12Å
288P48.2Very low43.3Very low126 Ų126132.1 Ų132.182%0.81883%0.828SS**  trans-73.9119.9-179.828.6-30.3000109.6G290P288-G290 PolarHBondContact O-N 3.07Å; P288-G290 VanDerWaalsContact O-N 3.07Å
289T46Very low42.9Very low142 Ų142128.5 Ų128.587%0.87183%0.828SS**  trans-66.7102165.442.40000109.4A287A287-T289 PolarHBondContact O-N 3.12Å
290G53.8Low43Very low76 Ų76133.8 Ų133.878%0.78484%0.84SS**  trans-79.1127165.600000110.8P288P288-G290 PolarHBondContact O-N 3.07Å; P288-G290 VanDerWaalsContact O-N 3.07Å
291Q40.3Very low43Very low271 Ų271131.5 Ų131.5100%1.26684%0.839SS**  trans-70.10163.5-72.5175-25.300111.6

Retrieved 291 of 291 residues in 265.9 ms (Link to these results)