A0A077Z940_TRITR Loading...

DNA replication complex GINS protein PSF3

The GINS complex plays an essential role in the initiation of DNA replication.

AlphaFold DB , UniProt , Accession A0A077Z940, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 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
1M40.1Very low76.4Confident214 Ų214105.3 Ų105.3100%1.05453%0.531SS*.  0130.80-73.1179.3-128.500105.7D3M1-D3 VanDerWaalsContact CB-OD1 3.3Å; M1-D3 WeakPolarHBondContact CB-OD1 3.37Å; M1-D3 PolarHBondContact O-N 3.24Å
2D55.2Low77.5Confident126 Ų126103.6 Ų103.667%0.67452%0.524SS*.  trans-72.979171.5-69.7-46.4000106.9F4D2-F4 PolarHBondContact O-N 3.43Å
3D54.8Low78.4Confident127 Ų12795.6 Ų95.668%0.67948%0.484SS*.THydrogen-bonded Turntrans-65.311-178.4-68.4-25.8000113.1M1M1-D3 VanDerWaalsContact CB-OD1 3.3Å; M1-D3 WeakPolarHBondContact CB-OD1 3.37Å; M1-D3 PolarHBondContact O-N 3.24Å
4F71Confident79.3Confident75 Ų7590.3 Ų90.333%0.32946%0.459SS..THydrogen-bonded Turntrans-127.89.2-167.3-60.3-75.4000114.5D2 L6 D7 D10D2-F4 PolarHBondContact O-N 3.43Å; F4-L6 PolarHBondContact O-N 2.88Å; F4-D7 HydrophobicContact CB-CB 4.13Å; F4-D7 HydrophobicContact CD1-CB 4.06Å; F4-D7 WeakPolarHBondContact CD1-OD2 3.32Å; F4-D7 PolarHBondContact O-N 3.25Å; F4-D10 HydrophobicContact CB-CB 3.62Å; F4-D10 WeakPolarHBondContact CB-OD2 3.47Å; F4-D10 HydrophobicContact CG-CB 4.32Å
5Y83Confident80.1Confident192 Ų19292.1 Ų92.175%0.75346%0.464SS*.THydrogen-bonded Turntrans-54.4-34.2-176.2-178.2-98.1000113.8
6L89.4Confident80.6Confident149 Ų14992.1 Ų92.178%0.7846%0.46SS*.THydrogen-bonded Turntrans-101.22.3177.9-59.4178.8000113.6F4 C8F4-L6 PolarHBondContact O-N 2.88Å; L6-C8 PolarHBondContact O-N 3.14Å
7D89.7Confident81.2Confident49 Ų4989.9 Ų89.926%0.26246%0.456SS..  trans-78.3114.8177.3-178.58.1000109.8F4 D9 D10 I11 Q99F4-D7 HydrophobicContact CB-CB 4.13Å; F4-D7 HydrophobicContact CD1-CB 4.06Å; F4-D7 WeakPolarHBondContact CD1-OD2 3.32Å; F4-D7 PolarHBondContact O-N 3.25Å; D7-D9 PolarHBondContact O-N 2.99Å; D7-D9 PolarHBondContact OD1-N 3.28Å; D7-D10 HydrophobicContact CB-CB 3.96Å; D7-D10 WeakPolarHBondContact O-CB 3.33Å; D7-D10 PolarHBondContact O-N 3.02Å; D7-I11 WeakPolarHBondContact O-CG1 3.41Å; D7-I11 PolarHBondContact O-N 3.4Å; D7-Q99 PolarHBondContact OD2-NE2 3Å
8C89.8Confident81.9Confident89 Ų8985.2 Ų85.260%0.60143%0.432SS*.Hα-helixtrans-57.1-37.5177.5-650000112.4L6 D10 I11 L12L6-C8 PolarHBondContact O-N 3.14Å; C8-D10 PolarHBondContact O-N 3.17Å; C8-I11 PolarHBondContact O-N 3.46Å; C8-L12 WeakPolarHBondContact O-CB 3.17Å; C8-L12 WeakPolarHBondContact O-CG 3.48Å; C8-L12 PolarHBondContact O-N 2.82Å
9D87Confident82.6Confident33 Ų3386.6 Ų86.618%0.17644%0.435CS..Hα-helixtrans-65.5-32.2179.2-79.2-46.6000111.4D7 A13 N148 K152D7-D9 PolarHBondContact O-N 2.99Å; D7-D9 PolarHBondContact OD1-N 3.28Å; D9-A13 WeakPolarHBondContact O-CB 3.46Å; D9-A13 PolarHBondContact O-N 3.42Å; D9-N148 PolarHBondContact OD1-ND2 3.46Å; D9-N148 VanDerWaalsContact OD1-ND2 3.15Å; D9-K152 VanDerWaalsContact OD2-CE 3.29Å; D9-K152 WeakPolarHBondContact OD2-CE 3.37Å; D9-K152 IonicContact OD2-NZ 3.75Å; D9-K152 PolarHBondContact OD2-NZ 3.36Å
10D89.2Confident83.2Confident17 Ų1782.3 Ų82.39%0.09141%0.414CS..Hα-helixtrans-75.7-41.7179.5-155.463.5000112.6F4 D7 C8 L12 A13 T14 Q99 H103F4-D10 HydrophobicContact CB-CB 3.62Å; F4-D10 WeakPolarHBondContact CB-OD2 3.47Å; F4-D10 HydrophobicContact CG-CB 4.32Å; D7-D10 HydrophobicContact CB-CB 3.96Å; D7-D10 WeakPolarHBondContact O-CB 3.33Å; D7-D10 PolarHBondContact O-N 3.02Å; C8-D10 PolarHBondContact O-N 3.17Å; D10-L12 VanDerWaalsContact C-N 3.3Å; D10-L12 PolarHBondContact O-N 2.92Å; D10-A13 PolarHBondContact O-N 2.67Å; D10-T14 WeakPolarHBondContact O-CG2 3.49Å; D10-T14 PolarHBondContact O-N 3.38Å; D10-T14 PolarHBondContact O-OG1 2.82Å; D10-T14 VanDerWaalsContact O-OG1 3.11Å; D10-Q99 VanDerWaalsContact CB-NE2 3.33Å; D10-Q99 PolarHBondContact OD1-NE2 2.97Å; D10-H103 VanDerWaalsContact CG-NE2 3.27Å; D10-H103 IonicContact OD1-CD2 3.54Å; D10-H103 IonicContact OD1-CE1 3.89Å; D10-H103 IonicContact OD1-NE2 3.18Å; D10-H103 PolarHBondContact OD1-NE2 3.28Å; D10-H103 IonicContact OD2-CE1 2.7Å; D10-H103 PolarHBondContact OD2-CE1 3.08Å; D10-H103 VanDerWaalsContact OD2-CE1 3.28Å; D10-H103 IonicContact OD2-NE2 2.67Å; D10-H103 PolarHBondContact OD2-NE2 3.14Å
11I90.9Very high83.8Confident87 Ų8783.6 Ų83.645%0.44641%0.414SS..Hα-helixtrans-57.4-48.6172.7-65168.8000109.4D7 C8 A13 T14 E15D7-I11 WeakPolarHBondContact O-CG1 3.41Å; D7-I11 PolarHBondContact O-N 3.4Å; C8-I11 PolarHBondContact O-N 3.46Å; I11-A13 VanDerWaalsContact C-N 3.34Å; I11-A13 PolarHBondContact O-N 3.02Å; I11-T14 PolarHBondContact O-N 3.28Å; I11-T14 PolarHBondContact O-OG1 3.15Å; I11-T14 VanDerWaalsContact O-OG1 3.06Å; I11-E15 PolarHBondContact O-N 2.86Å
12L89.5Confident86.4Confident85 Ų8573.4 Ų73.445%0.44536%0.364SS..Hα-helixtrans-66.4-35.6179.2-66.5169.8000112.2C8 D10 T14 Q96C8-L12 WeakPolarHBondContact O-CB 3.17Å; C8-L12 WeakPolarHBondContact O-CG 3.48Å; C8-L12 PolarHBondContact O-N 2.82Å; D10-L12 VanDerWaalsContact C-N 3.3Å; D10-L12 PolarHBondContact O-N 2.92Å; L12-T14 VanDerWaalsContact C-N 3.34Å; L12-Q96 PolarHBondContact O-OE1 3.36Å
13A89.3Confident88.3Confident0 Ų070 Ų700%035%0.345CS..Hα-helixtrans-62.6-42.1174.500000111.6D9 D10 I11 Q96 Q99 F100D9-A13 WeakPolarHBondContact O-CB 3.46Å; D9-A13 PolarHBondContact O-N 3.42Å; D10-A13 PolarHBondContact O-N 2.67Å; I11-A13 VanDerWaalsContact C-N 3.34Å; I11-A13 PolarHBondContact O-N 3.02Å; A13-Q96 HydrophobicContact CB-CB 3.76Å; A13-Q96 HydrophobicContact CB-CG 4.02Å; A13-Q99 HydrophobicContact CB-CB 4.35Å; A13-Q99 HydrophobicContact CB-CG 4.07Å; A13-F100 WeakPolarHBondContact O-CD2 3.41Å
14T90.7Very high90.1Very high21 Ų2170.2 Ų70.213%0.12934%0.336CS..Hα-helixtrans-81.9-15-176.959.80000114.3D10 I11 L12 K16 F51 W52D10-T14 WeakPolarHBondContact O-CG2 3.49Å; D10-T14 PolarHBondContact O-N 3.38Å; D10-T14 PolarHBondContact O-OG1 2.82Å; D10-T14 VanDerWaalsContact O-OG1 3.11Å; I11-T14 PolarHBondContact O-N 3.28Å; I11-T14 PolarHBondContact O-OG1 3.15Å; I11-T14 VanDerWaalsContact O-OG1 3.06Å; L12-T14 VanDerWaalsContact C-N 3.34Å; T14-K16 PolarHBondContact O-N 2.86Å; T14-F51 HydrophobicContact CG2-CD1 4.09Å; T14-F51 HydrophobicContact CG2-CE1 4.39Å; T14-F51 WeakPolarHBondContact O-CB 3.27Å; T14-F51 PolarHBondContact O-N 3.37Å; T14-W52 VanDerWaalsContact O-CD1 3.31Å; T14-W52 PolarHBondContact O-N 3.12Å
15E91.7Very high91.2Very high117 Ų11769.9 Ų69.955%0.54734%0.341SS..Hα-helixtrans-67.1-22.4173.1-171.4176-175.300112.8I11 S17I11-E15 PolarHBondContact O-N 2.86Å; E15-S17 PolarHBondContact O-N 2.89Å
16K88.4Confident91.6Very high92 Ų9261.2 Ų61.240%0.431%0.307SS..SBendtrans-53.5129.8-175.4-174.165.2172.7-164.90112.5T14 V18 F51 A93 L94 F100T14-K16 PolarHBondContact O-N 2.86Å; K16-V18 PolarHBondContact O-N 3.22Å; K16-F51 WeakPolarHBondContact O-CB 3.44Å; K16-F51 PolarHBondContact O-N 3.47Å; K16-A93 PolarHBondContact NZ-O 2.86Å; K16-L94 HydrophobicContact CB-CD1 4.11Å; K16-L94 HydrophobicContact CD-CD1 3.35Å; K16-L94 VanDerWaalsContact CE-CD1 3.44Å; K16-L94 HydrophobicContact CG-CD1 3.5Å; K16-L94 VanDerWaalsContact CG-CD1 3.5Å; K16-F100 HydrophobicContact CB-CE2 4.31Å
17S91.4Very high91.7Very high56 Ų5658.2 Ų58.239%0.39230%0.297SS..EExtended strand (participates in β ladder)trans-64.4127.2172.9-172.80000111.3E15 M49E15-S17 PolarHBondContact O-N 2.89Å; S17-M49 WeakPolarHBondContact CA-O 3.48Å
18V93.1Very high91.8Very high4 Ų464.7 Ų64.72%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-120.7148.7175-71.90000110.7K16 E48 M49 F51 A54 P70 F100K16-V18 PolarHBondContact O-N 3.22Å; V18-E48 WeakPolarHBondContact O-CA 3.38Å; V18-M49 WeakPolarHBondContact CG2-O 2.9Å; V18-M49 PolarHBondContact N-O 3.04Å; V18-M49 PolarHBondContact O-N 2.86Å; V18-M49 VanDerWaalsContact O-N 3.12Å; V18-F51 HydrophobicContact CG1-CB 4.09Å; V18-F51 HydrophobicContact CG1-CD2 4.11Å; V18-F51 HydrophobicContact CG2-CB 4.03Å; V18-F51 HydrophobicContact CG2-CD2 4.21Å; V18-A54 HydrophobicContact CG2-CB 3.6Å; V18-P70 HydrophobicContact CG1-CG 4.37Å; V18-F100 HydrophobicContact CG1-CE1 4.37Å; V18-F100 HydrophobicContact CG1-CZ 3.67Å
19K95.1Very high91.8Very high113 Ų11362.4 Ų62.449%0.49130%0.298SS..EExtended strand (participates in β ladder)trans-77.8129.8173.6-68.5-177.7176.1-174.80109.4V46 V47 E48 I68K19-V46 HydrophobicContact CB-CG1 4.14Å; K19-V46 HydrophobicContact CG-CG1 4.4Å; K19-V47 WeakPolarHBondContact CA-O 3.3Å; K19-E48 WeakPolarHBondContact CE-OE1 3.46Å; K19-E48 HydrophobicContact CG-CG 3.83Å; K19-E48 IonicContact NZ-OE1 3.56Å; K19-I68 HydrophobicContact CB-CB 4.18Å; K19-I68 HydrophobicContact CB-CD1 4.14Å; K19-I68 WeakPolarHBondContact O-CB 3.23Å; K19-I68 PolarHBondContact O-N 2.89Å
20C95.4Very high91.8Very high0 Ų060.8 Ų60.80%029%0.29CS..EExtended strand (participates in β ladder)trans-126.8144.1176.1-53.70000109.5V46 V47 M49 A54 F65 S66C20-V46 CarbonylContact O-C 3.51Å; C20-V46 WeakPolarHBondContact O-CA 3.33Å; C20-V47 HydrophobicContact CB-CG2 4.08Å; C20-V47 PolarHBondContact N-O 3.4Å; C20-V47 PolarHBondContact O-N 3.49Å; C20-M49 HydrophobicContact CB-CE 4.22Å; C20-A54 WeakPolarHBondContact SG-CB 3.32Å; C20-F65 HydrophobicContact CB-CB 4.32Å; C20-F65 HydrophobicContact CB-CD1 4.15Å; C20-S66 CarbonylContact C-O 3.53Å; C20-S66 WeakPolarHBondContact CA-O 3.24Å
21R95.4Very high91.9Very high110 Ų11065.4 Ų65.442%0.41531%0.307SS..EExtended strand (participates in β ladder)trans-103.6130.7176.5-179.1-174-67.3-159.58.8109.5N23 Q44 S45 F65 S66 I68R21-N23 PolarHBondContact O-N 3Å; R21-Q44 VanDerWaalsContact CD-OE1 3.3Å; R21-S45 CarbonylContact C-O 3.58Å; R21-S45 WeakPolarHBondContact CA-O 3.33Å; R21-F65 CarbonylContact O-C 3.59Å; R21-F65 VanDerWaalsContact O-CA 3.27Å; R21-F65 WeakPolarHBondContact O-CA 3.25Å; R21-S66 PolarHBondContact N-O 3.38Å; R21-S66 PolarHBondContact O-N 3.31Å; R21-I68 HydrophobicContact CB-CD1 4.27Å; R21-I68 HydrophobicContact CB-CG1 4.39Å
22A95Very high91.8Very high0 Ų063 Ų630%029%0.294CS..EExtended strand (participates in β ladder)trans-70.5126.6171.800000110.2L41 Q44 S45 F65A22-L41 HydrophobicContact CB-CD2 3.99Å; A22-L41 HydrophobicContact CB-CG 4.44Å; A22-Q44 WeakPolarHBondContact O-CA 3.37Å; A22-Q44 PolarHBondContact O-N 2.9Å; A22-S45 WeakPolarHBondContact CB-OG 3.27Å; A22-S45 PolarHBondContact N-O 3.42Å; A22-F65 HydrophobicContact CB-CD1 4.28Å; A22-F65 HydrophobicContact CB-CE1 3.99Å
23N93.9Very high91.7Very high54 Ų5462.2 Ų62.229%0.28929%0.29SS..SBendtrans-87.2-12.7179.6-66.7-23.2000113.1R21 A63 P64 S66R21-N23 PolarHBondContact O-N 3Å; N23-A63 PolarHBondContact ND2-O 2.82Å; N23-P64 PolarHBondContact N-O 3.01Å; N23-S66 PolarHBondContact ND2-OG 2.99Å; N23-S66 WeakPolarHBondContact OD1-CB 3.17Å; N23-S66 PolarHBondContact OD1-OG 3.14Å
24R93.2Very high91.7Very high131 Ų13165.6 Ų65.649%0.49433%0.325SS..SBendtrans-151.4163.4178.961-177.6178.9-172.8-2.1109.4L26R24-L26 HydrophobicContact CG-CD2 3.76Å; R24-L26 HydrophobicContact CG-CG 4.35Å; R24-L26 PolarHBondContact O-N 3.08Å
25T93.3Very high91.5Very high68 Ų6868.9 Ų68.942%0.41734%0.341SS..  trans-63.8126168.2-54.50000109.7E40 L41T25-E40 HydrophobicContact CG2-CB 3.97Å; T25-E40 WeakPolarHBondContact CG2-OE2 3.33Å; T25-L41 CarbonylContact C-O 3.56Å; T25-L41 VanDerWaalsContact CA-O 3.27Å; T25-L41 WeakPolarHBondContact CA-O 3.39Å
26L92.3Very high91.3Very high10 Ų1067 Ų675%0.05234%0.342CS..BIsolated β-bridgetrans-112.2117.3-179.1-62.2170.9000110.3R24 M29 E40 L41 P64 F65R24-L26 HydrophobicContact CG-CD2 3.76Å; R24-L26 HydrophobicContact CG-CG 4.35Å; R24-L26 PolarHBondContact O-N 3.08Å; L26-M29 HydrophobicContact CB-CB 4.01Å; L26-M29 HydrophobicContact CB-CG 4.11Å; L26-M29 HydrophobicContact CB-SD 3.64Å; L26-M29 HydrophobicContact CD1-CE 4.09Å; L26-M29 HydrophobicContact CD1-SD 3.72Å; L26-M29 HydrophobicContact CG-SD 4.16Å; L26-E40 WeakPolarHBondContact O-CA 3.49Å; L26-L41 HydrophobicContact CB-CB 4.21Å; L26-L41 HydrophobicContact CD1-CD2 4.22Å; L26-L41 PolarHBondContact N-O 3.05Å; L26-L41 PolarHBondContact O-N 3.09Å; L26-P64 HydrophobicContact CD1-CB 4.04Å; L26-P64 HydrophobicContact CD2-CB 3.83Å; L26-F65 HydrophobicContact CD1-CD2 4.13Å; L26-F65 HydrophobicContact CD1-CE1 4.05Å; L26-F65 HydrophobicContact CD1-CE2 3.3Å; L26-F65 HydrophobicContact CD1-CZ 3.25Å
27P91.9Very high91.1Very high86 Ų8665.8 Ų65.856%0.55835%0.348SS*.THydrogen-bonded Turntrans-69.1143.5-177.528.3-34000111.1M29P27-M29 PolarHBondContact O-N 3.33Å; P27-M29 VanDerWaalsContact O-N 3.17Å
28R91.1Very high90.8Very high186 Ų18671 Ų7170%0.70237%0.366SS*.THydrogen-bonded Turntrans57.127.1176.9-54.5179.4177.5177.6-1.4114.7Y31 A37 A39R28-Y31 WeakPolarHBondContact O-CE1 3.44Å; R28-A37 CarbonylContact C-O 3.43Å; R28-A37 VanDerWaalsContact CA-O 3.32Å; R28-A37 WeakPolarHBondContact CA-O 3.42Å; R28-A39 CarbonylContact C-O 3.56Å; R28-A39 WeakPolarHBondContact CA-O 3.41Å; R28-A39 PolarHBondContact N-O 3Å
29M89.9Confident90.6Very high40 Ų4072.1 Ų72.120%0.19738%0.376CS..  trans-114.510.2178-67.7-171.767.700113.1L26 P27 Y31 L32 A39 L41 F65L26-M29 HydrophobicContact CB-CB 4.01Å; L26-M29 HydrophobicContact CB-CG 4.11Å; L26-M29 HydrophobicContact CB-SD 3.64Å; L26-M29 HydrophobicContact CD1-CE 4.09Å; L26-M29 HydrophobicContact CD1-SD 3.72Å; L26-M29 HydrophobicContact CG-SD 4.16Å; P27-M29 PolarHBondContact O-N 3.33Å; P27-M29 VanDerWaalsContact O-N 3.17Å; M29-Y31 HydrophobicContact CG-CE1 4.5Å; M29-Y31 PolarHBondContact O-N 2.9Å; M29-Y31 VanDerWaalsContact O-N 3.15Å; M29-L32 HydrophobicContact CB-CD1 4.37Å; M29-L32 HydrophobicContact CE-CD1 3.47Å; M29-L32 VanDerWaalsContact CE-CD1 3.47Å; M29-L32 WeakPolarHBondContact O-CB 3.27Å; M29-L32 PolarHBondContact O-N 3.49Å; M29-L32 VanDerWaalsContact O-N 3.14Å; M29-A39 PolarHBondContact N-O 2.82Å; M29-L41 HydrophobicContact CB-CB 3.92Å; M29-F65 HydrophobicContact CE-CE2 3.7Å; M29-F65 HydrophobicContact CE-CZ 3.79Å
30G87.5Confident90.4Very high0 Ų072.4 Ų72.40%038%0.379CS..G310 helixtrans-59-24.5177.600000114.2L32 I33 G34 L35 A39G30-L32 PolarHBondContact O-N 2.82Å; G30-L32 VanDerWaalsContact O-N 3.08Å; G30-I33 WeakPolarHBondContact O-CG1 3.48Å; G30-I33 PolarHBondContact O-N 2.79Å; G30-G34 PolarHBondContact O-N 3.39Å; G30-L35 WeakPolarHBondContact O-CB 3.44Å; G30-L35 PolarHBondContact O-N 3.1Å; G30-A39 WeakPolarHBondContact CA-O 3.47Å; G30-A39 PolarHBondContact N-O 3.48Å
31Y91.2Very high90.3Very high114 Ų11472.4 Ų72.445%0.44738%0.379SS..G310 helixtrans-58.1-24.117670-93.5000113.5R28 M29 I33 G34 L35R28-Y31 WeakPolarHBondContact O-CE1 3.44Å; M29-Y31 HydrophobicContact CG-CE1 4.5Å; M29-Y31 PolarHBondContact O-N 2.9Å; M29-Y31 VanDerWaalsContact O-N 3.15Å; Y31-I33 PolarHBondContact O-N 2.68Å; Y31-G34 PolarHBondContact O-N 3.33Å; Y31-L35 WeakPolarHBondContact CA-O 3.16Å
32L88.9Confident90.2Very high35 Ų3570.3 Ų70.318%0.18338%0.38CS..G310 helixtrans-69.8-19.5177.8-65.5176000113.7M29 G30 L41 V47 F65M29-L32 HydrophobicContact CB-CD1 4.37Å; M29-L32 HydrophobicContact CE-CD1 3.47Å; M29-L32 VanDerWaalsContact CE-CD1 3.47Å; M29-L32 WeakPolarHBondContact O-CB 3.27Å; M29-L32 PolarHBondContact O-N 3.49Å; M29-L32 VanDerWaalsContact O-N 3.14Å; G30-L32 PolarHBondContact O-N 2.82Å; G30-L32 VanDerWaalsContact O-N 3.08Å; L32-L41 HydrophobicContact CD1-CD2 4.36Å; L32-V47 HydrophobicContact CB-CB 4.28Å; L32-V47 HydrophobicContact CB-CG1 3.66Å; L32-V47 HydrophobicContact CD1-CG1 4.48Å; L32-F65 HydrophobicContact CD1-CZ 4.02Å
33I87.9Confident90.1Very high69 Ų6975.2 Ų75.235%0.35440%0.403SS..G310 helixtrans-113.214.8175.254.2168000112.1G30 Y31 L35 L41 V47G30-I33 WeakPolarHBondContact O-CG1 3.48Å; G30-I33 PolarHBondContact O-N 2.79Å; Y31-I33 PolarHBondContact O-N 2.68Å; I33-L35 VanDerWaalsContact C-N 3.3Å; I33-L35 HydrophobicContact CD1-CD1 3.38Å; I33-L35 HydrophobicContact CD1-CG 3.82Å; I33-L35 HydrophobicContact CG1-CB 4.37Å; I33-L35 HydrophobicContact CG1-CD1 3.93Å; I33-L35 HydrophobicContact CG1-CG 3.86Å; I33-L35 PolarHBondContact O-N 3.44Å; I33-L41 HydrophobicContact CB-CD1 4.3Å; I33-L41 HydrophobicContact CD1-CD1 3.71Å; I33-L41 HydrophobicContact CG1-CD1 3.71Å; I33-L41 HydrophobicContact CG2-CD1 3.61Å; I33-V47 HydrophobicContact CG2-CG1 3.58Å
34G87.4Confident90.1Very high72 Ų7277.3 Ų77.374%0.74241%0.411SS*.THydrogen-bonded Turntrans7611.9-178.300000114.8G30 Y31G30-G34 PolarHBondContact O-N 3.39Å; Y31-G34 PolarHBondContact O-N 3.33Å
35L86.9Confident90.1Very high89 Ų8972 Ų7247%0.46639%0.394SS..SBendtrans-79.8174.2167.6-61.9177.7000110.5G30 Y31 I33 A39G30-L35 WeakPolarHBondContact O-CB 3.44Å; G30-L35 PolarHBondContact O-N 3.1Å; Y31-L35 WeakPolarHBondContact CA-O 3.16Å; I33-L35 VanDerWaalsContact C-N 3.3Å; I33-L35 HydrophobicContact CD1-CD1 3.38Å; I33-L35 HydrophobicContact CD1-CG 3.82Å; I33-L35 HydrophobicContact CG1-CB 4.37Å; I33-L35 HydrophobicContact CG1-CD1 3.93Å; I33-L35 HydrophobicContact CG1-CG 3.86Å; I33-L35 PolarHBondContact O-N 3.44Å; L35-A39 HydrophobicContact CB-CB 3.87Å; L35-A39 HydrophobicContact CD1-CB 4.33Å
36S87.9Confident90.2Very high79 Ų7972.4 Ų72.455%0.55240%0.396SS*.  trans-60.7152.8176.790.80000111.7Q38 A39S36-Q38 PolarHBondContact O-N 3.17Å; S36-Q38 VanDerWaalsContact O-N 3.14Å; S36-Q38 PolarHBondContact OG-N 3.45Å; S36-A39 WeakPolarHBondContact O-CB 3.47Å; S36-A39 PolarHBondContact O-N 3.25Å; S36-A39 PolarHBondContact OG-N 2.8Å
37A83.9Confident90.3Very high65 Ų6572 Ų7254%0.53739%0.394SS..THydrogen-bonded Turntrans-62.6-20.8179.100000113.6R28R28-A37 CarbonylContact C-O 3.43Å; R28-A37 VanDerWaalsContact CA-O 3.32Å; R28-A37 WeakPolarHBondContact CA-O 3.42Å
38Q85.5Confident90.4Very high165 Ų16573.4 Ų73.477%0.77139%0.393SS*.THydrogen-bonded Turntrans-89-15.9175.5-63.7-154.1-0.600113.3S36S36-Q38 PolarHBondContact O-N 3.17Å; S36-Q38 VanDerWaalsContact O-N 3.14Å; S36-Q38 PolarHBondContact OG-N 3.45Å
39A89.2Confident90.6Very high28 Ų2864.9 Ų64.923%0.23136%0.362CS..SBendtrans-66.7148.1178.100000111R28 M29 G30 L35 S36R28-A39 CarbonylContact C-O 3.56Å; R28-A39 WeakPolarHBondContact CA-O 3.41Å; R28-A39 PolarHBondContact N-O 3Å; M29-A39 PolarHBondContact N-O 2.82Å; G30-A39 WeakPolarHBondContact CA-O 3.47Å; G30-A39 PolarHBondContact N-O 3.48Å; L35-A39 HydrophobicContact CB-CB 3.87Å; L35-A39 HydrophobicContact CD1-CB 4.33Å; S36-A39 WeakPolarHBondContact O-CB 3.47Å; S36-A39 PolarHBondContact O-N 3.25Å; S36-A39 PolarHBondContact OG-N 2.8Å
40E91.4Very high90.8Very high119 Ų11965.1 Ų65.156%0.55637%0.366SS*.  trans-79.1146.4173.3-52.9-169.4152.500109.9T25 L26 P42T25-E40 HydrophobicContact CG2-CB 3.97Å; T25-E40 WeakPolarHBondContact CG2-OE2 3.33Å; L26-E40 WeakPolarHBondContact O-CA 3.49Å; E40-P42 WeakPolarHBondContact O-CD 3.4Å
41L92.7Very high91.1Very high0 Ų065.1 Ų65.10%037%0.366CS..BIsolated β-bridgetrans-87.3115.5169.7-176.869.6000107.9A22 T25 L26 M29 L32 I33 S45 V47 F65A22-L41 HydrophobicContact CB-CD2 3.99Å; A22-L41 HydrophobicContact CB-CG 4.44Å; T25-L41 CarbonylContact C-O 3.56Å; T25-L41 VanDerWaalsContact CA-O 3.27Å; T25-L41 WeakPolarHBondContact CA-O 3.39Å; L26-L41 HydrophobicContact CB-CB 4.21Å; L26-L41 HydrophobicContact CD1-CD2 4.22Å; L26-L41 PolarHBondContact N-O 3.05Å; L26-L41 PolarHBondContact O-N 3.09Å; M29-L41 HydrophobicContact CB-CB 3.92Å; L32-L41 HydrophobicContact CD1-CD2 4.36Å; I33-L41 HydrophobicContact CB-CD1 4.3Å; I33-L41 HydrophobicContact CD1-CD1 3.71Å; I33-L41 HydrophobicContact CG1-CD1 3.71Å; I33-L41 HydrophobicContact CG2-CD1 3.61Å; L41-S45 VanDerWaalsContact CD1-OG 3.24Å; L41-S45 WeakPolarHBondContact CD1-OG 3.46Å; L41-S45 WeakPolarHBondContact CG-OG 3.46Å; L41-V47 HydrophobicContact CD1-CG1 3.97Å; L41-V47 HydrophobicContact CD2-CG1 4.02Å; L41-F65 HydrophobicContact CD2-CE1 3.75Å; L41-F65 HydrophobicContact CD2-CZ 3.75Å
42P92.3Very high91.1Very high66 Ų6665.8 Ų65.843%0.42937%0.368SS..  trans-62.6152.5-179.6-20.932.6000112.2E40 S45E40-P42 WeakPolarHBondContact O-CD 3.4Å; P42-S45 VanDerWaalsContact O-CB 3.27Å; P42-S45 WeakPolarHBondContact O-CB 3.46Å; P42-S45 PolarHBondContact O-N 3.27Å; P42-S45 PolarHBondContact O-OG 3.37Å
43E93.5Very high91.4Very high104 Ų10467.1 Ų67.149%0.48637%0.372SS..THydrogen-bonded Turntrans-55.8149.8168.2-162.2-170143.900111.3S45E43-S45 PolarHBondContact O-N 2.86Å
44Q93.8Very high91.7Very high98 Ų9863.8 Ų63.846%0.45836%0.355SS..THydrogen-bonded Turntrans64.90.6-179.8-53.6-65.5-45.100115.1R21 A22R21-Q44 VanDerWaalsContact CD-OE1 3.3Å; A22-Q44 WeakPolarHBondContact O-CA 3.37Å; A22-Q44 PolarHBondContact O-N 2.9Å
45S93.9Very high91.9Very high20 Ų2063.1 Ų63.114%0.1433%0.332CS..  trans-61140.8172.459.50000111.1R21 A22 L41 P42 E43R21-S45 CarbonylContact C-O 3.58Å; R21-S45 WeakPolarHBondContact CA-O 3.33Å; A22-S45 WeakPolarHBondContact CB-OG 3.27Å; A22-S45 PolarHBondContact N-O 3.42Å; L41-S45 VanDerWaalsContact CD1-OG 3.24Å; L41-S45 WeakPolarHBondContact CD1-OG 3.46Å; L41-S45 WeakPolarHBondContact CG-OG 3.46Å; P42-S45 VanDerWaalsContact O-CB 3.27Å; P42-S45 WeakPolarHBondContact O-CB 3.46Å; P42-S45 PolarHBondContact O-N 3.27Å; P42-S45 PolarHBondContact O-OG 3.37Å; E43-S45 PolarHBondContact O-N 2.86Å
46V95.3Very high92.2Very high75 Ų7565.8 Ų65.846%0.45534%0.341SS..EExtended strand (participates in β ladder)trans-101.1120.5177.3-178.90000108.5K19 C20 I68K19-V46 HydrophobicContact CB-CG1 4.14Å; K19-V46 HydrophobicContact CG-CG1 4.4Å; C20-V46 CarbonylContact O-C 3.51Å; C20-V46 WeakPolarHBondContact O-CA 3.33Å; V46-I68 HydrophobicContact CG1-CD1 4.06Å; V46-I68 HydrophobicContact CG2-CD1 4.18Å
47V94.9Very high92.4Very high2 Ų264.4 Ų64.41%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-115.4152.5177-66.90000109.7K19 C20 L32 I33 L41 M49 F65K19-V47 WeakPolarHBondContact CA-O 3.3Å; C20-V47 HydrophobicContact CB-CG2 4.08Å; C20-V47 PolarHBondContact N-O 3.4Å; C20-V47 PolarHBondContact O-N 3.49Å; L32-V47 HydrophobicContact CB-CB 4.28Å; L32-V47 HydrophobicContact CB-CG1 3.66Å; L32-V47 HydrophobicContact CD1-CG1 4.48Å; I33-V47 HydrophobicContact CG2-CG1 3.58Å; L41-V47 HydrophobicContact CD1-CG1 3.97Å; L41-V47 HydrophobicContact CD2-CG1 4.02Å; V47-M49 HydrophobicContact CB-CE 4.43Å; V47-M49 HydrophobicContact CG2-CE 3.4Å; V47-M49 VanDerWaalsContact CG2-CE 3.4Å; V47-F65 HydrophobicContact CG2-CD1 3.93Å; V47-F65 HydrophobicContact CG2-CE1 3.48Å; V47-F65 VanDerWaalsContact CG2-CE1 3.48Å; V47-F65 HydrophobicContact CG2-CZ 4.32Å
48E94.2Very high92.8Very high116 Ų11662.4 Ų62.454%0.54231%0.31SS..EExtended strand (participates in β ladder)trans-107.3129.6171.2-78.8-168.8-178.500109.5V18 K19V18-E48 WeakPolarHBondContact O-CA 3.38Å; K19-E48 WeakPolarHBondContact CE-OE1 3.46Å; K19-E48 HydrophobicContact CG-CG 3.83Å; K19-E48 IonicContact NZ-OE1 3.56Å
49M93.8Very high92.9Very high7 Ų758.7 Ų58.73%0.03430%0.302CS..EExtended strand (participates in β ladder)trans-150.2158.3176.569.7-1787900111.2S17 V18 C20 V47 K53 A54 L57 F65S17-M49 WeakPolarHBondContact CA-O 3.48Å; V18-M49 WeakPolarHBondContact CG2-O 2.9Å; V18-M49 PolarHBondContact N-O 3.04Å; V18-M49 PolarHBondContact O-N 2.86Å; V18-M49 VanDerWaalsContact O-N 3.12Å; C20-M49 HydrophobicContact CB-CE 4.22Å; V47-M49 HydrophobicContact CB-CE 4.43Å; V47-M49 HydrophobicContact CG2-CE 3.4Å; V47-M49 VanDerWaalsContact CG2-CE 3.4Å; M49-K53 HydrophobicContact SD-CD 4.24Å; M49-K53 HydrophobicContact SD-CG 4.09Å; M49-A54 HydrophobicContact CG-CB 3.88Å; M49-A54 HydrophobicContact SD-CB 4.16Å; M49-L57 HydrophobicContact CE-CD1 4.43Å; M49-L57 HydrophobicContact SD-CD1 3.84Å; M49-F65 HydrophobicContact CE-CD1 4.18Å; M49-F65 HydrophobicContact CE-CD2 4.45Å; M49-F65 HydrophobicContact CE-CE1 4.08Å; M49-F65 HydrophobicContact CE-CE2 4.33Å; M49-F65 HydrophobicContact CE-CG 4.37Å; M49-F65 HydrophobicContact CE-CZ 4.13Å
50P94.2Very high92.7Very high44 Ų4460.2 Ų60.229%0.28632%0.32SS..EExtended strand (participates in β ladder)trans-55.4140.9175.3-26.435.7000112.1W52 K53 A54P50-W52 VanDerWaalsContact C-N 3.32Å; P50-W52 HydrophobicContact CB-CD2 4.44Å; P50-W52 HydrophobicContact CB-CG 4.32Å; P50-W52 HydrophobicContact CB-CZ2 4.38Å; P50-W52 HydrophobicContact CG-CZ2 4.49Å; P50-W52 PolarHBondContact O-N 3.44Å; P50-K53 WeakPolarHBondContact O-CB 3.46Å; P50-K53 PolarHBondContact O-N 2.93Å; P50-K53 VanDerWaalsContact O-N 3.08Å; P50-A54 PolarHBondContact O-N 3.44Å
51F93.8Very high92.3Very high0 Ų064.2 Ų64.20%034%0.336CS..Hα-helixtrans-60-39.7-175171.9-91000113T14 K16 V18 K53 A54 K55 I67 F100 H103 I104 L107T14-F51 HydrophobicContact CG2-CD1 4.09Å; T14-F51 HydrophobicContact CG2-CE1 4.39Å; T14-F51 WeakPolarHBondContact O-CB 3.27Å; T14-F51 PolarHBondContact O-N 3.37Å; K16-F51 WeakPolarHBondContact O-CB 3.44Å; K16-F51 PolarHBondContact O-N 3.47Å; V18-F51 HydrophobicContact CG1-CB 4.09Å; V18-F51 HydrophobicContact CG1-CD2 4.11Å; V18-F51 HydrophobicContact CG2-CB 4.03Å; V18-F51 HydrophobicContact CG2-CD2 4.21Å; F51-K53 PolarHBondContact O-N 3.24Å; F51-A54 PolarHBondContact O-N 3.22Å; F51-A54 VanDerWaalsContact O-N 3.14Å; F51-K55 HydrophobicContact CE1-CB 4.07Å; F51-K55 HydrophobicContact CE1-CD 3.83Å; F51-K55 HydrophobicContact CE1-CG 4.35Å; F51-K55 HydrophobicContact CZ-CB 4.07Å; F51-K55 HydrophobicContact CZ-CD 4.08Å; F51-K55 HydrophobicContact CZ-CG 4.24Å; F51-K55 WeakPolarHBondContact O-CB 3.21Å; F51-K55 PolarHBondContact O-N 3.06Å; F51-I67 HydrophobicContact CD2-CD1 4.48Å; F51-I67 HydrophobicContact CE2-CD1 4.21Å; F51-F100 HydrophobicContact CB-CE2 3.66Å; F51-F100 HydrophobicContact CB-CZ 3.98Å; F51-F100 AromaticContact CD1-CE2 3.89Å; F51-F100 HydrophobicContact CD1-CE2 3.89Å; F51-F100 AromaticContact CD2-CE2 3.83Å; F51-F100 HydrophobicContact CD2-CE2 3.83Å; F51-F100 AromaticContact CD2-CZ 3.62Å; F51-F100 HydrophobicContact CD2-CZ 3.62Å; F51-F100 HydrophobicContact CE2-CE2 4.47Å; F51-F100 HydrophobicContact CE2-CZ 4.26Å; F51-F100 AromaticContact CG-CE2 3.48Å; F51-F100 HydrophobicContact CG-CE2 3.48Å; F51-F100 VanDerWaalsContact CG-CE2 3.48Å; F51-F100 AromaticContact CG-CZ 3.76Å; F51-F100 HydrophobicContact CG-CZ 3.76Å; F51-H103 HydrophobicContact CD1-CB 4.42Å; F51-H103 HydrophobicContact CE1-CB 3.47Å; F51-H103 VanDerWaalsContact CE1-CB 3.47Å; F51-H103 HydrophobicContact CZ-CB 3.67Å; F51-I104 HydrophobicContact CE2-CB 4.35Å; F51-I104 HydrophobicContact CE2-CG1 4.27Å; F51-L107 HydrophobicContact CE2-CD1 3.64Å; F51-L107 HydrophobicContact CZ-CD1 3.81Å
52W92.8Very high92Very high128 Ų12872 Ų7249%0.48537%0.372SS..Hα-helixtrans-54.7-41.717660.9-99.4000111.9T14 P50 H56T14-W52 VanDerWaalsContact O-CD1 3.31Å; T14-W52 PolarHBondContact O-N 3.12Å; P50-W52 VanDerWaalsContact C-N 3.32Å; P50-W52 HydrophobicContact CB-CD2 4.44Å; P50-W52 HydrophobicContact CB-CG 4.32Å; P50-W52 HydrophobicContact CB-CZ2 4.38Å; P50-W52 HydrophobicContact CG-CZ2 4.49Å; P50-W52 PolarHBondContact O-N 3.44Å; W52-H56 PolarHBondContact O-CD2 3.02Å
53K93.8Very high92Very high63 Ų6369.6 Ų69.627%0.27436%0.357SS..Hα-helixtrans-70.8-45.2176.9-175.4178178.2178.80111.2M49 P50 F51 K55 H56 L57M49-K53 HydrophobicContact SD-CD 4.24Å; M49-K53 HydrophobicContact SD-CG 4.09Å; P50-K53 WeakPolarHBondContact O-CB 3.46Å; P50-K53 PolarHBondContact O-N 2.93Å; P50-K53 VanDerWaalsContact O-N 3.08Å; F51-K53 PolarHBondContact O-N 3.24Å; K53-K55 VanDerWaalsContact C-N 3.34Å; K53-K55 PolarHBondContact O-N 3.05Å; K53-H56 PolarHBondContact O-N 3.36Å; K53-L57 HydrophobicContact CG-CD1 4.03Å; K53-L57 WeakPolarHBondContact O-CG 3.17Å; K53-L57 PolarHBondContact O-N 2.95Å
54A94.5Very high92Very high0 Ų065.8 Ų65.80%034%0.342CS..Hα-helixtrans-58.6-4517900000112V18 C20 M49 P50 F51 H56 L57 S58 I67V18-A54 HydrophobicContact CG2-CB 3.6Å; C20-A54 WeakPolarHBondContact SG-CB 3.32Å; M49-A54 HydrophobicContact CG-CB 3.88Å; M49-A54 HydrophobicContact SD-CB 4.16Å; P50-A54 PolarHBondContact O-N 3.44Å; F51-A54 PolarHBondContact O-N 3.22Å; F51-A54 VanDerWaalsContact O-N 3.14Å; A54-H56 VanDerWaalsContact C-N 3.3Å; A54-H56 PolarHBondContact O-N 3.07Å; A54-L57 CarbonylContact O-C 3.6Å; A54-L57 PolarHBondContact O-N 3.11Å; A54-L57 VanDerWaalsContact O-N 3.09Å; A54-S58 WeakPolarHBondContact O-CB 3.44Å; A54-S58 PolarHBondContact O-N 3.18Å; A54-S58 PolarHBondContact O-OG 3.42Å; A54-S58 VanDerWaalsContact O-OG 3.05Å; A54-I67 HydrophobicContact CB-CD1 3.83Å; A54-I67 HydrophobicContact CB-CG1 3.92Å
55K92.6Very high92.1Very high58 Ų5861.2 Ų61.225%0.25232%0.32SS..Hα-helixtrans-55.7-43.8-179-178.3-176.8-179.4-177.80111.5F51 K53 S58 S59 L107F51-K55 HydrophobicContact CE1-CB 4.07Å; F51-K55 HydrophobicContact CE1-CD 3.83Å; F51-K55 HydrophobicContact CE1-CG 4.35Å; F51-K55 HydrophobicContact CZ-CB 4.07Å; F51-K55 HydrophobicContact CZ-CD 4.08Å; F51-K55 HydrophobicContact CZ-CG 4.24Å; F51-K55 WeakPolarHBondContact O-CB 3.21Å; F51-K55 PolarHBondContact O-N 3.06Å; K53-K55 VanDerWaalsContact C-N 3.34Å; K53-K55 PolarHBondContact O-N 3.05Å; K55-S58 PolarHBondContact O-OG 3.29Å; K55-S58 VanDerWaalsContact O-OG 3.1Å; K55-S59 PolarHBondContact O-N 3Å; K55-L107 HydrophobicContact CG-CD2 4.47Å
56H91.5Very high92.1Very high144 Ų14462.7 Ų62.767%0.66733%0.331SS*.Hα-helixtrans-69.7-40.1177.3-68.7-60.3000112.3W52 K53 A54 S58 S59W52-H56 PolarHBondContact O-CD2 3.02Å; K53-H56 PolarHBondContact O-N 3.36Å; A54-H56 VanDerWaalsContact C-N 3.3Å; A54-H56 PolarHBondContact O-N 3.07Å; H56-S58 VanDerWaalsContact C-N 3.31Å; H56-S58 PolarHBondContact O-N 3.28Å; H56-S59 PolarHBondContact O-N 2.92Å
57L93.2Very high92Very high50 Ų5059.8 Ų59.826%0.26231%0.313SS..Hα-helixtrans-75.8-17.3179.7-68177.6000114.1M49 K53 A54 P64 F65M49-L57 HydrophobicContact CE-CD1 4.43Å; M49-L57 HydrophobicContact SD-CD1 3.84Å; K53-L57 HydrophobicContact CG-CD1 4.03Å; K53-L57 WeakPolarHBondContact O-CG 3.17Å; K53-L57 PolarHBondContact O-N 2.95Å; A54-L57 CarbonylContact O-C 3.6Å; A54-L57 PolarHBondContact O-N 3.11Å; A54-L57 VanDerWaalsContact O-N 3.09Å; L57-P64 HydrophobicContact CB-CG 4.43Å; L57-P64 HydrophobicContact CD2-CG 4.26Å; L57-P64 WeakPolarHBondContact O-CD 3.4Å; L57-P64 WeakPolarHBondContact O-CG 3.37Å; L57-F65 HydrophobicContact CB-CB 4.48Å; L57-F65 HydrophobicContact CB-CD2 3.98Å; L57-F65 HydrophobicContact CD1-CD2 3.97Å; L57-F65 HydrophobicContact CD1-CE2 4.09Å; L57-F65 HydrophobicContact CG-CD2 4.49Å
58S91.9Very high92Very high24 Ų2461.7 Ų61.717%0.16832%0.322CS..THydrogen-bonded Turntrans-93.4-2.6175.363.70000113.9A54 K55 H56 A63 F65 I67A54-S58 WeakPolarHBondContact O-CB 3.44Å; A54-S58 PolarHBondContact O-N 3.18Å; A54-S58 PolarHBondContact O-OG 3.42Å; A54-S58 VanDerWaalsContact O-OG 3.05Å; K55-S58 PolarHBondContact O-OG 3.29Å; K55-S58 VanDerWaalsContact O-OG 3.1Å; H56-S58 VanDerWaalsContact C-N 3.31Å; H56-S58 PolarHBondContact O-N 3.28Å; S58-A63 WeakPolarHBondContact O-CB 3.41Å; S58-F65 VanDerWaalsContact CA-O 3.3Å; S58-F65 WeakPolarHBondContact CA-O 3.32Å; S58-I67 VanDerWaalsContact OG-CD1 3.25Å; S58-I67 WeakPolarHBondContact OG-CD1 3.29Å
59S87.7Confident91.8Very high87 Ų8757.2 Ų57.261%0.60830%0.302SS*.  trans-87.6141.6-177.1-166.90000111.8K55 H56K55-S59 PolarHBondContact O-N 3Å; H56-S59 PolarHBondContact O-N 2.92Å
60G85.3Confident91.6Very high59 Ų5958.3 Ų58.361%0.60831%0.309SS*.SBendtrans99.9171.4174.400000115.3H62G60-H62 VanDerWaalsContact C-N 3.33Å; G60-H62 PolarHBondContact O-N 3.05Å
61K82.7Confident91.3Very high204 Ų20457.6 Ų57.689%0.88731%0.31SS*.THydrogen-bonded Turntrans-65.8-29.6-173.9-75.8-175.9175.8-179.20114.5
62H87.5Confident90.9Very high163 Ų16359 Ų5976%0.75532%0.317SS*.THydrogen-bonded Turntrans-124.948.7-178.1-60-63.6000110.7G60G60-H62 VanDerWaalsContact C-N 3.33Å; G60-H62 PolarHBondContact O-N 3.05Å
63A92.3Very high90.7Very high15 Ų1553 Ų5312%0.12429%0.294CS..  trans-58.5127.3-179.700000110.8N23 S58 F65N23-A63 PolarHBondContact ND2-O 2.82Å; S58-A63 WeakPolarHBondContact O-CB 3.41Å; A63-F65 PolarHBondContact O-N 3.43Å
64P93.2Very high90.3Very high25 Ų2556.1 Ų56.116%0.16230%0.304CS..SBendtrans-63.1-25.5177.923.6-34.8000113.1N23 L26 L57N23-P64 PolarHBondContact N-O 3.01Å; L26-P64 HydrophobicContact CD1-CB 4.04Å; L26-P64 HydrophobicContact CD2-CB 3.83Å; L57-P64 HydrophobicContact CB-CG 4.43Å; L57-P64 HydrophobicContact CD2-CG 4.26Å; L57-P64 WeakPolarHBondContact O-CD 3.4Å; L57-P64 WeakPolarHBondContact O-CG 3.37Å
65F94.9Very high90Very high1 Ų159.2 Ų59.20%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-128.4149.6-179.2-69.4-84.1000111.9C20 R21 A22 L26 M29 L32 L41 V47 M49 L57 S58 A63C20-F65 HydrophobicContact CB-CB 4.32Å; C20-F65 HydrophobicContact CB-CD1 4.15Å; R21-F65 CarbonylContact O-C 3.59Å; R21-F65 VanDerWaalsContact O-CA 3.27Å; R21-F65 WeakPolarHBondContact O-CA 3.25Å; A22-F65 HydrophobicContact CB-CD1 4.28Å; A22-F65 HydrophobicContact CB-CE1 3.99Å; L26-F65 HydrophobicContact CD1-CD2 4.13Å; L26-F65 HydrophobicContact CD1-CE1 4.05Å; L26-F65 HydrophobicContact CD1-CE2 3.3Å; L26-F65 HydrophobicContact CD1-CZ 3.25Å; M29-F65 HydrophobicContact CE-CE2 3.7Å; M29-F65 HydrophobicContact CE-CZ 3.79Å; L32-F65 HydrophobicContact CD1-CZ 4.02Å; L41-F65 HydrophobicContact CD2-CE1 3.75Å; L41-F65 HydrophobicContact CD2-CZ 3.75Å; V47-F65 HydrophobicContact CG2-CD1 3.93Å; V47-F65 HydrophobicContact CG2-CE1 3.48Å; V47-F65 VanDerWaalsContact CG2-CE1 3.48Å; V47-F65 HydrophobicContact CG2-CZ 4.32Å; M49-F65 HydrophobicContact CE-CD1 4.18Å; M49-F65 HydrophobicContact CE-CD2 4.45Å; M49-F65 HydrophobicContact CE-CE1 4.08Å; M49-F65 HydrophobicContact CE-CE2 4.33Å; M49-F65 HydrophobicContact CE-CG 4.37Å; M49-F65 HydrophobicContact CE-CZ 4.13Å; L57-F65 HydrophobicContact CB-CB 4.48Å; L57-F65 HydrophobicContact CB-CD2 3.98Å; L57-F65 HydrophobicContact CD1-CD2 3.97Å; L57-F65 HydrophobicContact CD1-CE2 4.09Å; L57-F65 HydrophobicContact CG-CD2 4.49Å; S58-F65 VanDerWaalsContact CA-O 3.3Å; S58-F65 WeakPolarHBondContact CA-O 3.32Å; A63-F65 PolarHBondContact O-N 3.43Å
66S93.7Very high89.7Confident51 Ų5164.4 Ų64.436%0.35735%0.347SS..EExtended strand (participates in β ladder)trans-113.3129.3166.2-62.50000109.8C20 R21 N23C20-S66 CarbonylContact C-O 3.53Å; C20-S66 WeakPolarHBondContact CA-O 3.24Å; R21-S66 PolarHBondContact N-O 3.38Å; R21-S66 PolarHBondContact O-N 3.31Å; N23-S66 PolarHBondContact ND2-OG 2.99Å; N23-S66 WeakPolarHBondContact OD1-CB 3.17Å; N23-S66 PolarHBondContact OD1-OG 3.14Å
67I94.5Very high89.5Confident15 Ų1562.4 Ų62.48%0.07734%0.337CS..EExtended strand (participates in β ladder)trans-73135.5175.8-68.9165.5000109.2F51 A54 S58 L107 F108F51-I67 HydrophobicContact CD2-CD1 4.48Å; F51-I67 HydrophobicContact CE2-CD1 4.21Å; A54-I67 HydrophobicContact CB-CD1 3.83Å; A54-I67 HydrophobicContact CB-CG1 3.92Å; S58-I67 VanDerWaalsContact OG-CD1 3.25Å; S58-I67 WeakPolarHBondContact OG-CD1 3.29Å; I67-L107 HydrophobicContact CD1-CD1 3.58Å; I67-F108 HydrophobicContact CB-CZ 4.33Å; I67-F108 HydrophobicContact CG2-CE2 4.36Å; I67-F108 HydrophobicContact CG2-CZ 4.14Å; I67-F108 VanDerWaalsContact O-CZ 3.32Å; I67-F108 WeakPolarHBondContact O-CZ 3.3Å
68I93.4Very high89.3Confident41 Ų4160.1 Ų60.121%0.2133%0.325CS..PPolyproline II helixtrans-92.5124.8173.4-60.5169.8000107.7K19 R21 V46 P70K19-I68 HydrophobicContact CB-CB 4.18Å; K19-I68 HydrophobicContact CB-CD1 4.14Å; K19-I68 WeakPolarHBondContact O-CB 3.23Å; K19-I68 PolarHBondContact O-N 2.89Å; R21-I68 HydrophobicContact CB-CD1 4.27Å; R21-I68 HydrophobicContact CB-CG1 4.39Å; V46-I68 HydrophobicContact CG1-CD1 4.06Å; V46-I68 HydrophobicContact CG2-CD1 4.18Å; I68-P70 VanDerWaalsContact O-CD 3.3Å; I68-P70 WeakPolarHBondContact O-CD 3.46Å; I68-P70 VanDerWaalsContact O-N 3.16Å
69L91Very high89.2Confident23 Ų2363.6 Ų63.612%0.1234%0.341CS..PPolyproline II helixtrans-55.5120.8178-173.369.9000110.5I104 F108L69-I104 HydrophobicContact CD1-CD1 4.22Å; L69-F108 HydrophobicContact CB-CE1 4.41Å; L69-F108 HydrophobicContact CB-CZ 4.18Å; L69-F108 HydrophobicContact CD1-CD2 4.16Å; L69-F108 HydrophobicContact CD1-CE2 4.06Å
70P90Very high89.2Confident29 Ų2964 Ų6419%0.18834%0.34CS..PPolyproline II helixtrans-56.8144.8178.4-25.833.7000111.9V18 I68 M72 Y73 F100 I104V18-P70 HydrophobicContact CG1-CG 4.37Å; I68-P70 VanDerWaalsContact O-CD 3.3Å; I68-P70 WeakPolarHBondContact O-CD 3.46Å; I68-P70 VanDerWaalsContact O-N 3.16Å; P70-M72 HydrophobicContact CB-CG 4.31Å; P70-M72 PolarHBondContact O-N 2.67Å; P70-M72 VanDerWaalsContact O-N 3.11Å; P70-Y73 HydrophobicContact CB-CD2 3.91Å; P70-Y73 HydrophobicContact CB-CE2 4.29Å; P70-Y73 HydrophobicContact CG-CD2 4.1Å; P70-Y73 HydrophobicContact CG-CE2 4.37Å; P70-Y73 PolarHBondContact O-N 3.15Å; P70-F100 HydrophobicContact CG-CE1 4.25Å; P70-I104 HydrophobicContact CG-CD1 3.77Å
71G86.9Confident89.3Confident30 Ų3061.2 Ų61.231%0.30931%0.311SS..G310 helixtrans-53.4-37.9-173.300000113.9Y73 R74 F77G71-Y73 PolarHBondContact O-N 3.36Å; G71-R74 VanDerWaalsContact O-CB 3.3Å; G71-R74 WeakPolarHBondContact O-CB 3.49Å; G71-R74 WeakPolarHBondContact O-CG 3.35Å; G71-R74 PolarHBondContact O-N 3.18Å; G71-F77 WeakPolarHBondContact O-CD2 3.08Å
72M85.5Confident89.6Confident30 Ų3053.6 Ų53.615%0.14828%0.28CS..G310 helixtrans-62.9-23.7-179.865.3-153.1-68.700114.8P70 A93 L94 F97P70-M72 HydrophobicContact CB-CG 4.31Å; P70-M72 PolarHBondContact O-N 2.67Å; P70-M72 VanDerWaalsContact O-N 3.11Å; M72-A93 HydrophobicContact CE-CB 3.6Å; M72-A93 HydrophobicContact SD-CB 4.31Å; M72-L94 HydrophobicContact CE-CB 3.45Å; M72-L94 VanDerWaalsContact CE-CB 3.45Å; M72-L94 HydrophobicContact CE-CD2 4.48Å; M72-L94 HydrophobicContact SD-CB 4.27Å; M72-F97 HydrophobicContact CE-CD2 3.42Å; M72-F97 VanDerWaalsContact CE-CD2 3.42Å; M72-F97 HydrophobicContact CE-CE2 3.96Å; M72-F97 HydrophobicContact CE-CG 4.48Å; M72-F97 HydrophobicContact CG-CE2 4.49Å
73Y87.9Confident89.7Confident0 Ų049.9 Ų49.90%028%0.277CS..G310 helixtrans-97.32.8177.3-57-63000112.7P70 G71 L78 F97 F100 V101 I119P70-Y73 HydrophobicContact CB-CD2 3.91Å; P70-Y73 HydrophobicContact CB-CE2 4.29Å; P70-Y73 HydrophobicContact CG-CD2 4.1Å; P70-Y73 HydrophobicContact CG-CE2 4.37Å; P70-Y73 PolarHBondContact O-N 3.15Å; G71-Y73 PolarHBondContact O-N 3.36Å; Y73-L78 VanDerWaalsContact O-CD1 3.29Å; Y73-L78 WeakPolarHBondContact O-CD1 3.39Å; Y73-F97 HydrophobicContact CD1-CE2 4.04Å; Y73-F97 HydrophobicContact CD1-CZ 4.03Å; Y73-F97 AromaticContact CE1-CD2 3.93Å; Y73-F97 HydrophobicContact CE1-CD2 3.93Å; Y73-F97 HydrophobicContact CE1-CE1 4.17Å; Y73-F97 AromaticContact CE1-CE2 3.49Å; Y73-F97 HydrophobicContact CE1-CE2 3.49Å; Y73-F97 VanDerWaalsContact CE1-CE2 3.49Å; Y73-F97 HydrophobicContact CE1-CG 4.4Å; Y73-F97 AromaticContact CE1-CZ 3.63Å; Y73-F97 HydrophobicContact CE1-CZ 3.63Å; Y73-F97 PolarHBondContact OH-O 3.04Å; Y73-F100 AromaticContact CE2-CD1 3.61Å; Y73-F100 HydrophobicContact CE2-CD1 3.61Å; Y73-F100 HydrophobicContact CE2-CE1 4.02Å; Y73-F100 AromaticContact CZ-CD1 3.91Å; Y73-F100 WeakPolarHBondContact OH-CD1 3.43Å; Y73-V101 HydrophobicContact CD1-CG2 3.85Å; Y73-V101 HydrophobicContact CE1-CG2 3.19Å; Y73-I119 HydrophobicContact CD1-CD1 4.08Å; Y73-I119 HydrophobicContact CE1-CD1 4.35Å
74R87.3Confident89.5Confident129 Ų12954.2 Ų54.249%0.48730%0.295SS..SBendtrans-70.2145.3175-66.2-178.2-177.9173.9-2109.8G71 K76 F77 L78G71-R74 VanDerWaalsContact O-CB 3.3Å; G71-R74 WeakPolarHBondContact O-CB 3.49Å; G71-R74 WeakPolarHBondContact O-CG 3.35Å; G71-R74 PolarHBondContact O-N 3.18Å; R74-K76 PolarHBondContact O-N 2.7Å; R74-F77 HydrophobicContact CB-CD2 4.46Å; R74-F77 PolarHBondContact O-N 2.97Å; R74-L78 PolarHBondContact O-N 3.04Å; R74-L78 VanDerWaalsContact O-N 3.14Å
75P86.9Confident89.1Confident65 Ų6554 Ų5442%0.42229%0.294SS..Hα-helixtrans-50.9-37.7-178.8-29.734.8000114F77 L78 N79P75-F77 VanDerWaalsContact C-N 3.35Å; P75-F77 PolarHBondContact O-N 3.5Å; P75-L78 PolarHBondContact O-N 3.14Å; P75-N79 VanDerWaalsContact O-CB 3.31Å; P75-N79 WeakPolarHBondContact O-CB 3.27Å; P75-N79 PolarHBondContact O-N 3.31Å; P75-N79 PolarHBondContact O-ND2 2.94Å; P75-N79 PolarHBondContact O-OD1 3.49Å
76K86.9Confident88.5Confident168 Ų16855.5 Ų55.573%0.7331%0.306SS*.Hα-helixtrans-55.4-46.3176.6-177.6178.5178.4178.40112.9R74 V80R74-K76 PolarHBondContact O-N 2.7Å; K76-V80 WeakPolarHBondContact O-CG2 3.33Å
77F87.3Confident87.8Confident102 Ų10258.7 Ų58.745%0.44732%0.323SS..Hα-helixtrans-75.2-39.3-179.1-76.1-85.8000111.3G71 R74 P75 N79 V80 A81G71-F77 WeakPolarHBondContact O-CD2 3.08Å; R74-F77 HydrophobicContact CB-CD2 4.46Å; R74-F77 PolarHBondContact O-N 2.97Å; P75-F77 VanDerWaalsContact C-N 3.35Å; P75-F77 PolarHBondContact O-N 3.5Å; F77-N79 VanDerWaalsContact C-N 3.34Å; F77-N79 PolarHBondContact O-N 3.21Å; F77-V80 PolarHBondContact O-N 3.31Å; F77-A81 PolarHBondContact O-N 3.37Å
78L88.8Confident87.1Confident1 Ų159 Ų591%0.00532%0.324CS..Hα-helixtrans-66.7-34.9178.2-65.7176.9000112.6Y73 R74 P75 V80 A81 L82 F97 L115 T118 I119 I122Y73-L78 VanDerWaalsContact O-CD1 3.29Å; Y73-L78 WeakPolarHBondContact O-CD1 3.39Å; R74-L78 PolarHBondContact O-N 3.04Å; R74-L78 VanDerWaalsContact O-N 3.14Å; P75-L78 PolarHBondContact O-N 3.14Å; L78-V80 VanDerWaalsContact C-N 3.31Å; L78-V80 PolarHBondContact O-N 3.04Å; L78-A81 CarbonylContact O-C 3.58Å; L78-A81 PolarHBondContact O-N 2.92Å; L78-L82 VanDerWaalsContact O-CB 3.28Å; L78-L82 WeakPolarHBondContact O-CB 3.13Å; L78-L82 PolarHBondContact O-N 2.96Å; L78-F97 HydrophobicContact CD2-CZ 4.09Å; L78-L115 HydrophobicContact CD1-CD2 3.43Å; L78-L115 VanDerWaalsContact CD1-CD2 3.43Å; L78-T118 HydrophobicContact CB-CG2 4.06Å; L78-I119 HydrophobicContact CD2-CD1 4.3Å; L78-I119 HydrophobicContact CD2-CG1 4.06Å; L78-I122 HydrophobicContact CD2-CD1 4.09Å
79N88.9Confident86.1Confident97 Ų9760.1 Ų60.152%0.51933%0.334SS..Hα-helixtrans-64.5-36.8175.2-72.2-11.6000111.9P75 F77 L82 A83P75-N79 VanDerWaalsContact O-CB 3.31Å; P75-N79 WeakPolarHBondContact O-CB 3.27Å; P75-N79 PolarHBondContact O-N 3.31Å; P75-N79 PolarHBondContact O-ND2 2.94Å; P75-N79 PolarHBondContact O-OD1 3.49Å; F77-N79 VanDerWaalsContact C-N 3.34Å; F77-N79 PolarHBondContact O-N 3.21Å; N79-L82 PolarHBondContact O-N 3.31Å; N79-A83 WeakPolarHBondContact O-CB 3Å; N79-A83 PolarHBondContact O-N 3.04Å
80V87.7Confident85.3Confident96 Ų9659 Ų5958%0.58233%0.328SS*.Hα-helixtrans-66.7-46.3173.91760000110.3K76 F77 L78 L82 A83 E84K76-V80 WeakPolarHBondContact O-CG2 3.33Å; F77-V80 PolarHBondContact O-N 3.31Å; L78-V80 VanDerWaalsContact C-N 3.31Å; L78-V80 PolarHBondContact O-N 3.04Å; V80-L82 VanDerWaalsContact C-N 3.26Å; V80-L82 PolarHBondContact O-N 3.3Å; V80-A83 PolarHBondContact O-N 3.04Å; V80-E84 PolarHBondContact O-N 3.12Å; V80-E84 VanDerWaalsContact O-N 3.1Å
81A87.3Confident84.3Confident0 Ų059.3 Ų59.30%033%0.329CS..Hα-helixtrans-62.4-32.8175.300000112.7F77 L78 E84 P85 F88 I122F77-A81 PolarHBondContact O-N 3.37Å; L78-A81 CarbonylContact O-C 3.58Å; L78-A81 PolarHBondContact O-N 2.92Å; A81-E84 CarbonylContact O-C 3.44Å; A81-P85 WeakPolarHBondContact O-CA 2.95Å; A81-P85 WeakPolarHBondContact O-CD 3.1Å; A81-P85 VanDerWaalsContact O-CG 3.28Å; A81-P85 WeakPolarHBondContact O-CG 3.3Å; A81-P85 VanDerWaalsContact O-N 3.1Å; A81-F88 HydrophobicContact CB-CB 4.09Å; A81-F88 HydrophobicContact CB-CD1 3.98Å; A81-F88 HydrophobicContact CB-CD2 3.78Å; A81-F88 HydrophobicContact CB-CE1 4.36Å; A81-F88 HydrophobicContact CB-CE2 4.16Å; A81-F88 HydrophobicContact CB-CG 3.68Å; A81-F88 HydrophobicContact CB-CZ 4.45Å; A81-I122 HydrophobicContact CB-CD1 3.63Å; A81-I122 HydrophobicContact CB-CG1 4.12Å; A81-I122 HydrophobicContact CB-CG2 4.39Å
82L89.4Confident83.3Confident45 Ų4567.1 Ų67.124%0.23636%0.355CS..Hα-helixtrans-73.3-37.4177.9-171.370.3000111.7L78 N79 V80 T118 R121 I122L78-L82 VanDerWaalsContact O-CB 3.28Å; L78-L82 WeakPolarHBondContact O-CB 3.13Å; L78-L82 PolarHBondContact O-N 2.96Å; N79-L82 PolarHBondContact O-N 3.31Å; V80-L82 VanDerWaalsContact C-N 3.26Å; V80-L82 PolarHBondContact O-N 3.3Å; L82-T118 HydrophobicContact CD1-CG2 4.37Å; L82-T118 HydrophobicContact CD2-CG2 4.36Å; L82-R121 HydrophobicContact CD1-CB 3.6Å; L82-I122 HydrophobicContact CB-CG1 4.29Å; L82-I122 HydrophobicContact CD1-CG1 4.11Å
83A90.4Very high82.1Confident84 Ų8467.7 Ų67.769%0.69436%0.364SS*.Hα-helixtrans-67.7-46.1178.700000111.8N79 V80N79-A83 WeakPolarHBondContact O-CB 3Å; N79-A83 PolarHBondContact O-N 3.04Å; V80-A83 PolarHBondContact O-N 3.04Å
84E88.2Confident81.4Confident106 Ų10667.8 Ų67.850%0.49537%0.365SS..  trans-137.889.3175.3-173.458.5-121.800110.6V80 A81 A86 V87V80-E84 PolarHBondContact O-N 3.12Å; V80-E84 VanDerWaalsContact O-N 3.1Å; A81-E84 CarbonylContact O-C 3.44Å; E84-A86 VanDerWaalsContact C-N 3.27Å; E84-A86 PolarHBondContact O-N 3.2Å; E84-A86 WeakPolarHBondContact OE1-CB 3.33Å; E84-V87 HydrophobicContact CB-CG2 3.82Å; E84-V87 HydrophobicContact CG-CG2 3.11Å
85P84.8Confident81.1Confident21 Ų2164.2 Ų64.214%0.13636%0.358CS..THydrogen-bonded Turntrans-63-30.3-176.8-23.232.6000113.6A81 I122 R126A81-P85 WeakPolarHBondContact O-CA 2.95Å; A81-P85 WeakPolarHBondContact O-CD 3.1Å; A81-P85 VanDerWaalsContact O-CG 3.28Å; A81-P85 WeakPolarHBondContact O-CG 3.3Å; A81-P85 VanDerWaalsContact O-N 3.1Å; P85-I122 HydrophobicContact CB-CG2 4.33Å; P85-R126 HydrophobicContact CB-CG 3.45Å; P85-R126 VanDerWaalsContact CB-CG 3.45Å; P85-R126 WeakPolarHBondContact O-CD 3.38Å; P85-R126 PolarHBondContact O-NH1 3.26Å
86A81Confident81.2Confident32 Ų3262 Ų6226%0.26434%0.343SS..THydrogen-bonded Turntrans-68.4-38-172.600000113.8E84 R126 M129E84-A86 VanDerWaalsContact C-N 3.27Å; E84-A86 PolarHBondContact O-N 3.2Å; E84-A86 WeakPolarHBondContact OE1-CB 3.33Å; A86-R126 PolarHBondContact O-NH1 3.38Å; A86-M129 HydrophobicContact CB-CE 3.66Å; A86-M129 HydrophobicContact CB-SD 4.08Å; A86-M129 WeakPolarHBondContact O-CE 3.29Å
87V79.6Confident81.3Confident118 Ų11854.1 Ų54.172%0.71531%0.308SS*.THydrogen-bonded Turntrans-84.3-8.5-178.1-101.10000114E84 P89E84-V87 HydrophobicContact CB-CG2 3.82Å; E84-V87 HydrophobicContact CG-CG2 3.11Å; V87-P89 VanDerWaalsContact O-CD 3.25Å; V87-P89 WeakPolarHBondContact O-CD 3.49Å
88F79.8Confident81.4Confident23 Ų2349.7 Ų49.710%0.10129%0.288CS..  trans-68.7117.7-178.4-172.9-110.7000110.9A81 M90 F97 R126A81-F88 HydrophobicContact CB-CB 4.09Å; A81-F88 HydrophobicContact CB-CD1 3.98Å; A81-F88 HydrophobicContact CB-CD2 3.78Å; A81-F88 HydrophobicContact CB-CE1 4.36Å; A81-F88 HydrophobicContact CB-CE2 4.16Å; A81-F88 HydrophobicContact CB-CG 3.68Å; A81-F88 HydrophobicContact CB-CZ 4.45Å; F88-M90 HydrophobicContact CD1-CG 3.63Å; F88-M90 HydrophobicContact CD1-SD 4.11Å; F88-M90 HydrophobicContact CE1-CG 3.68Å; F88-M90 HydrophobicContact CE1-SD 4.47Å; F88-M90 PolarHBondContact O-N 3.19Å; F88-F97 HydrophobicContact CE1-CD2 4.45Å; F88-F97 HydrophobicContact CE1-CE2 4.01Å; F88-F97 HydrophobicContact CE1-CZ 4.45Å; F88-F97 HydrophobicContact CZ-CE2 4.45Å; F88-R126 PolarHBondContact O-NH1 3.11Å
89P72.4Confident81.5Confident63 Ų6349.7 Ų49.741%0.40929%0.288SS..  trans-8282.5-175.432.8-33.7000110.7V87 K92V87-P89 VanDerWaalsContact O-CD 3.25Å; V87-P89 WeakPolarHBondContact O-CD 3.49Å; P89-K92 HydrophobicContact CB-CB 4.41Å; P89-K92 HydrophobicContact CB-CD 4.42Å; P89-K92 HydrophobicContact CB-CG 4.49Å
90M75.5Confident81.5Confident1 Ų145.2 Ų45.21%0.00526%0.264CS..Hα-helixtrans-63.2-46.3-179-101.2156.676.500113.1F88 K92 A93 L94 F97 Y98 D147F88-M90 HydrophobicContact CD1-CG 3.63Å; F88-M90 HydrophobicContact CD1-SD 4.11Å; F88-M90 HydrophobicContact CE1-CG 3.68Å; F88-M90 HydrophobicContact CE1-SD 4.47Å; F88-M90 PolarHBondContact O-N 3.19Å; M90-K92 VanDerWaalsContact C-N 3.34Å; M90-K92 PolarHBondContact O-N 3.28Å; M90-A93 PolarHBondContact O-N 3.41Å; M90-L94 CarbonylContact O-C 3.53Å; M90-L94 PolarHBondContact O-N 2.78Å; M90-L94 VanDerWaalsContact O-O 3.1Å; M90-F97 HydrophobicContact CE-CB 3.68Å; M90-F97 HydrophobicContact CE-CD1 3.54Å; M90-F97 HydrophobicContact CE-CE1 4.41Å; M90-F97 HydrophobicContact CE-CG 3.75Å; M90-F97 HydrophobicContact CG-CB 4.02Å; M90-F97 HydrophobicContact CG-CD1 4.25Å; M90-F97 HydrophobicContact CG-CD2 3.97Å; M90-F97 HydrophobicContact CG-CG 3.82Å; M90-F97 HydrophobicContact SD-CD1 4.13Å; M90-F97 HydrophobicContact SD-CG 4.29Å; M90-Y98 HydrophobicContact CE-CD1 4.33Å; M90-Y98 HydrophobicContact CE-CD2 3.52Å; M90-Y98 HydrophobicContact CE-CE1 3.88Å; M90-Y98 HydrophobicContact CE-CE2 2.99Å; M90-Y98 HydrophobicContact CE-CG 4.16Å; M90-Y98 WeakPolarHBondContact CE-OH 3.42Å; M90-Y98 HydrophobicContact SD-CE2 4.25Å; M90-D147 HydrophobicContact CE-CB 3.39Å
91T66.9Low81.6Confident34 Ų3441.1 Ų41.121%0.20924%0.24CC..Hα-helixtrans-71.5-25.9-172.4-8.20000113.9A93 P95 T144 H145 L146T91-A93 VanDerWaalsContact C-N 3.26Å; T91-A93 PolarHBondContact O-N 3.35Å; T91-P95 HydrophobicContact CG2-CB 4.32Å; T91-T144 PolarHBondContact OG1-O 2.93Å; T91-H145 WeakPolarHBondContact OG1-CA 3.35Å; T91-H145 PolarHBondContact OG1-O 2.75Å; T91-L146 WeakPolarHBondContact CG2-O 3.49Å; T91-L146 PolarHBondContact OG1-N 2.63Å; T91-L146 PolarHBondContact OG1-O 2.9Å; T91-L146 VanDerWaalsContact OG1-O 3.11Å
92K66.8Low81.7Confident194 Ų19444.8 Ų44.884%0.84326%0.259SS*.Hα-helixtrans-68-28.9175.5-73.8-169.4178-177.80112P89 M90P89-K92 HydrophobicContact CB-CB 4.41Å; P89-K92 HydrophobicContact CB-CD 4.42Å; P89-K92 HydrophobicContact CB-CG 4.49Å; M90-K92 VanDerWaalsContact C-N 3.34Å; M90-K92 PolarHBondContact O-N 3.28Å
93A59.9Low81.7Confident42 Ų4243.3 Ų43.335%0.34725%0.25SS..Hα-helixtrans-94.2-47.1-178.100000112K16 M72 M90 T91K16-A93 PolarHBondContact NZ-O 2.86Å; M72-A93 HydrophobicContact CE-CB 3.6Å; M72-A93 HydrophobicContact SD-CB 4.31Å; M90-A93 PolarHBondContact O-N 3.41Å; T91-A93 VanDerWaalsContact C-N 3.26Å; T91-A93 PolarHBondContact O-N 3.35Å
94L73Confident81.7Confident3 Ų339.3 Ų39.32%0.01622%0.217CC..  trans-159.1117.1179.2-159.574.3000110.6K16 M72 M90 Q96 F97 F100K16-L94 HydrophobicContact CB-CD1 4.11Å; K16-L94 HydrophobicContact CD-CD1 3.35Å; K16-L94 VanDerWaalsContact CE-CD1 3.44Å; K16-L94 HydrophobicContact CG-CD1 3.5Å; K16-L94 VanDerWaalsContact CG-CD1 3.5Å; M72-L94 HydrophobicContact CE-CB 3.45Å; M72-L94 VanDerWaalsContact CE-CB 3.45Å; M72-L94 HydrophobicContact CE-CD2 4.48Å; M72-L94 HydrophobicContact SD-CB 4.27Å; M90-L94 CarbonylContact O-C 3.53Å; M90-L94 PolarHBondContact O-N 2.78Å; M90-L94 VanDerWaalsContact O-O 3.1Å; L94-Q96 PolarHBondContact O-N 3.25Å; L94-F97 PolarHBondContact O-N 2.67Å; L94-F100 HydrophobicContact CD2-CB 3.49Å; L94-F100 VanDerWaalsContact CD2-CB 3.49Å; L94-F100 HydrophobicContact CD2-CD1 3.94Å; L94-F100 HydrophobicContact CD2-CD2 4.45Å; L94-F100 HydrophobicContact CD2-CG 3.71Å
95P82.7Confident81.7Confident54 Ų5434.4 Ų34.435%0.35119%0.194SC..THydrogen-bonded Turntrans-61.5-20.3175.2-22.232.7000114.3T91 N148T91-P95 HydrophobicContact CG2-CB 4.32Å; P95-N148 WeakPolarHBondContact O-CB 3.48Å; P95-N148 PolarHBondContact O-N 2.95Å; P95-N148 PolarHBondContact O-OD1 2.86Å
96Q87.6Confident81.8Confident19 Ų1937.3 Ų37.39%0.08921%0.213CC..THydrogen-bonded Turntrans-113.341.8176.3-54.9110.9-300112.2L12 A13 L94 Y98 Q99 F100 D147L12-Q96 PolarHBondContact O-OE1 3.36Å; A13-Q96 HydrophobicContact CB-CB 3.76Å; A13-Q96 HydrophobicContact CB-CG 4.02Å; L94-Q96 PolarHBondContact O-N 3.25Å; Q96-Y98 VanDerWaalsContact C-N 3.32Å; Q96-Y98 PolarHBondContact O-N 3.23Å; Q96-Q99 HydrophobicContact CB-CB 4.2Å; Q96-Q99 PolarHBondContact O-N 3.01Å; Q96-F100 VanDerWaalsContact O-CB 3.23Å; Q96-F100 WeakPolarHBondContact O-CB 3.3Å; Q96-F100 PolarHBondContact O-N 3.11Å; Q96-D147 VanDerWaalsContact C-OD1 3.27Å; Q96-D147 WeakPolarHBondContact CA-OD1 3.09Å
97F89.4Confident82.2Confident1 Ų138.4 Ų38.40%0.00421%0.214CC..Hα-helixtrans-47.1-51.8178.7178.2-85.8000112.6M72 Y73 L78 F88 M90 L94 V101 I119 D147M72-F97 HydrophobicContact CE-CD2 3.42Å; M72-F97 VanDerWaalsContact CE-CD2 3.42Å; M72-F97 HydrophobicContact CE-CE2 3.96Å; M72-F97 HydrophobicContact CE-CG 4.48Å; M72-F97 HydrophobicContact CG-CE2 4.49Å; Y73-F97 HydrophobicContact CD1-CE2 4.04Å; Y73-F97 HydrophobicContact CD1-CZ 4.03Å; Y73-F97 AromaticContact CE1-CD2 3.93Å; Y73-F97 HydrophobicContact CE1-CD2 3.93Å; Y73-F97 HydrophobicContact CE1-CE1 4.17Å; Y73-F97 AromaticContact CE1-CE2 3.49Å; Y73-F97 HydrophobicContact CE1-CE2 3.49Å; Y73-F97 VanDerWaalsContact CE1-CE2 3.49Å; Y73-F97 HydrophobicContact CE1-CG 4.4Å; Y73-F97 AromaticContact CE1-CZ 3.63Å; Y73-F97 HydrophobicContact CE1-CZ 3.63Å; Y73-F97 PolarHBondContact OH-O 3.04Å; L78-F97 HydrophobicContact CD2-CZ 4.09Å; F88-F97 HydrophobicContact CE1-CD2 4.45Å; F88-F97 HydrophobicContact CE1-CE2 4.01Å; F88-F97 HydrophobicContact CE1-CZ 4.45Å; F88-F97 HydrophobicContact CZ-CE2 4.45Å; M90-F97 HydrophobicContact CE-CB 3.68Å; M90-F97 HydrophobicContact CE-CD1 3.54Å; M90-F97 HydrophobicContact CE-CE1 4.41Å; M90-F97 HydrophobicContact CE-CG 3.75Å; M90-F97 HydrophobicContact CG-CB 4.02Å; M90-F97 HydrophobicContact CG-CD1 4.25Å; M90-F97 HydrophobicContact CG-CD2 3.97Å; M90-F97 HydrophobicContact CG-CG 3.82Å; M90-F97 HydrophobicContact SD-CD1 4.13Å; M90-F97 HydrophobicContact SD-CG 4.29Å; L94-F97 PolarHBondContact O-N 2.67Å; F97-V101 VanDerWaalsContact O-CG2 3.23Å; F97-V101 WeakPolarHBondContact O-CG2 3.41Å; F97-V101 PolarHBondContact O-N 3.34Å; F97-I119 HydrophobicContact CE1-CD1 4.12Å; F97-I119 HydrophobicContact CE1-CG1 4.44Å; F97-I119 HydrophobicContact CE1-CG2 4.17Å; F97-I119 HydrophobicContact CZ-CD1 4.2Å; F97-D147 WeakPolarHBondContact CA-OD1 3.28Å; F97-D147 WeakPolarHBondContact CB-OD1 3.44Å; F97-D147 PolarHBondContact N-OD1 3.32Å
98Y90.1Very high82.6Confident9 Ų934.6 Ų34.64%0.03519%0.188CC..Hα-helixtrans-74.9-38.9-175.5-66.9-58.7000112.6M90 Q96 V101 I119 Y123 D147 W149 E150M90-Y98 HydrophobicContact CE-CD1 4.33Å; M90-Y98 HydrophobicContact CE-CD2 3.52Å; M90-Y98 HydrophobicContact CE-CE1 3.88Å; M90-Y98 HydrophobicContact CE-CE2 2.99Å; M90-Y98 HydrophobicContact CE-CG 4.16Å; M90-Y98 WeakPolarHBondContact CE-OH 3.42Å; M90-Y98 HydrophobicContact SD-CE2 4.25Å; Q96-Y98 VanDerWaalsContact C-N 3.32Å; Q96-Y98 PolarHBondContact O-N 3.23Å; Y98-V101 WeakPolarHBondContact O-CB 3.23Å; Y98-V101 PolarHBondContact O-N 3.26Å; Y98-I119 HydrophobicContact CD1-CG2 3.64Å; Y98-I119 HydrophobicContact CE1-CG2 3.74Å; Y98-Y123 HydrophobicContact CD2-CD2 4.2Å; Y98-Y123 HydrophobicContact CE1-CD2 4.28Å; Y98-Y123 AromaticContact CE2-CD2 3.53Å; Y98-Y123 HydrophobicContact CE2-CD2 3.53Å; Y98-Y123 HydrophobicContact CE2-CE2 4.16Å; Y98-Y123 HydrophobicContact CE2-CG 4.49Å; Y98-Y123 AromaticContact CZ-CD2 3.61Å; Y98-Y123 WeakPolarHBondContact OH-CA 3.4Å; Y98-D147 HydrophobicContact CD2-CB 4.16Å; Y98-D147 WeakPolarHBondContact CD2-OD2 3.33Å; Y98-D147 HydrophobicContact CE2-CB 4.31Å; Y98-W149 HydrophobicContact CD2-CB 4.22Å; Y98-W149 HydrophobicContact CG-CE3 4.42Å; Y98-E150 HydrophobicContact CD2-CG 4.43Å; Y98-E150 HydrophobicContact CE2-CG 3.71Å; Y98-E150 PolarHBondContact OH-OE1 2.89Å
99Q89.5Confident82.7Confident1 Ų137.5 Ų37.51%0.00521%0.209CC..Hα-helixtrans-67.5-40.5179.9-170.9155.30.200111.4D7 D10 A13 Q96 V101 I102 H103 W149D7-Q99 PolarHBondContact OD2-NE2 3Å; D10-Q99 VanDerWaalsContact CB-NE2 3.33Å; D10-Q99 PolarHBondContact OD1-NE2 2.97Å; A13-Q99 HydrophobicContact CB-CB 4.35Å; A13-Q99 HydrophobicContact CB-CG 4.07Å; Q96-Q99 HydrophobicContact CB-CB 4.2Å; Q96-Q99 PolarHBondContact O-N 3.01Å; Q99-V101 PolarHBondContact O-N 2.87Å; Q99-I102 WeakPolarHBondContact O-CB 3.42Å; Q99-I102 PolarHBondContact O-N 2.79Å; Q99-I102 VanDerWaalsContact O-N 3.14Å; Q99-H103 PolarHBondContact O-CD2 3.14Å; Q99-W149 HydrophobicContact CB-CZ2 4.34Å
100F90.1Very high83.2Confident3 Ų342.1 Ų42.11%0.01323%0.23CC..Hα-helixtrans-63.9-29.2178.3-168.8-106.7000113.3A13 K16 V18 F51 P70 Y73 L94 Q96 I102 H103 I104A13-F100 WeakPolarHBondContact O-CD2 3.41Å; K16-F100 HydrophobicContact CB-CE2 4.31Å; V18-F100 HydrophobicContact CG1-CE1 4.37Å; V18-F100 HydrophobicContact CG1-CZ 3.67Å; F51-F100 HydrophobicContact CB-CE2 3.66Å; F51-F100 HydrophobicContact CB-CZ 3.98Å; F51-F100 AromaticContact CD1-CE2 3.89Å; F51-F100 HydrophobicContact CD1-CE2 3.89Å; F51-F100 AromaticContact CD2-CE2 3.83Å; F51-F100 HydrophobicContact CD2-CE2 3.83Å; F51-F100 AromaticContact CD2-CZ 3.62Å; F51-F100 HydrophobicContact CD2-CZ 3.62Å; F51-F100 HydrophobicContact CE2-CE2 4.47Å; F51-F100 HydrophobicContact CE2-CZ 4.26Å; F51-F100 AromaticContact CG-CE2 3.48Å; F51-F100 HydrophobicContact CG-CE2 3.48Å; F51-F100 VanDerWaalsContact CG-CE2 3.48Å; F51-F100 AromaticContact CG-CZ 3.76Å; F51-F100 HydrophobicContact CG-CZ 3.76Å; P70-F100 HydrophobicContact CG-CE1 4.25Å; Y73-F100 AromaticContact CE2-CD1 3.61Å; Y73-F100 HydrophobicContact CE2-CD1 3.61Å; Y73-F100 HydrophobicContact CE2-CE1 4.02Å; Y73-F100 AromaticContact CZ-CD1 3.91Å; Y73-F100 WeakPolarHBondContact OH-CD1 3.43Å; L94-F100 HydrophobicContact CD2-CB 3.49Å; L94-F100 VanDerWaalsContact CD2-CB 3.49Å; L94-F100 HydrophobicContact CD2-CD1 3.94Å; L94-F100 HydrophobicContact CD2-CD2 4.45Å; L94-F100 HydrophobicContact CD2-CG 3.71Å; Q96-F100 VanDerWaalsContact O-CB 3.23Å; Q96-F100 WeakPolarHBondContact O-CB 3.3Å; Q96-F100 PolarHBondContact O-N 3.11Å; F100-I102 VanDerWaalsContact C-N 3.27Å; F100-I102 PolarHBondContact O-N 3.29Å; F100-H103 PolarHBondContact O-N 3.11Å; F100-I104 HydrophobicContact CE1-CB 4.29Å; F100-I104 HydrophobicContact CE1-CD1 3.71Å; F100-I104 HydrophobicContact CZ-CD1 4.27Å; F100-I104 PolarHBondContact O-N 3.47Å
101V89.6Confident83.4Confident11 Ų1145.4 Ų45.47%0.06725%0.248CC..Hα-helixtrans-58.9-39.8175166.20000112.1Y73 F97 Y98 Q99 H103 I104 F105 I119Y73-V101 HydrophobicContact CD1-CG2 3.85Å; Y73-V101 HydrophobicContact CE1-CG2 3.19Å; F97-V101 VanDerWaalsContact O-CG2 3.23Å; F97-V101 WeakPolarHBondContact O-CG2 3.41Å; F97-V101 PolarHBondContact O-N 3.34Å; Y98-V101 WeakPolarHBondContact O-CB 3.23Å; Y98-V101 PolarHBondContact O-N 3.26Å; Q99-V101 PolarHBondContact O-N 2.87Å; V101-H103 PolarHBondContact O-N 3.21Å; V101-I104 PolarHBondContact O-N 2.81Å; V101-F105 HydrophobicContact CB-CE2 4.48Å; V101-F105 HydrophobicContact CB-CZ 4.49Å; V101-F105 HydrophobicContact CG1-CD1 4.14Å; V101-F105 HydrophobicContact CG1-CD2 3.29Å; V101-F105 HydrophobicContact CG1-CE1 3.98Å; V101-F105 HydrophobicContact CG1-CE2 3.15Å; V101-F105 HydrophobicContact CG1-CG 3.83Å; V101-F105 HydrophobicContact CG1-CZ 3.51Å; V101-F105 HydrophobicContact CG2-CZ 4.33Å; V101-F105 WeakPolarHBondContact O-CB 3.29Å; V101-F105 WeakPolarHBondContact O-CG 3.42Å; V101-F105 PolarHBondContact O-N 3.5Å; V101-I119 HydrophobicContact CB-CD1 4.32Å; V101-I119 HydrophobicContact CG1-CD1 3.93Å; V101-I119 HydrophobicContact CG2-CD1 3.41Å; V101-I119 VanDerWaalsContact CG2-CD1 3.41Å
102I88.9Confident83.7Confident77 Ų7744.2 Ų44.240%0.39524%0.241SC..Hα-helixtrans-60.6-38-179.1-56.4171000110.3Q99 F100 P106 W149Q99-I102 WeakPolarHBondContact O-CB 3.42Å; Q99-I102 PolarHBondContact O-N 2.79Å; Q99-I102 VanDerWaalsContact O-N 3.14Å; F100-I102 VanDerWaalsContact C-N 3.27Å; F100-I102 PolarHBondContact O-N 3.29Å; I102-P106 WeakPolarHBondContact O-CD 3.31Å; I102-P106 WeakPolarHBondContact O-CG 3.34Å; I102-W149 HydrophobicContact CD1-CH2 3.52Å; I102-W149 HydrophobicContact CD1-CZ2 3.63Å
103H89.7Confident84.2Confident14 Ų1441.1 Ų41.17%0.06523%0.232CC..Hα-helixtrans-78-38.3179.6-71.4-69000113.6D10 F51 Q99 F100 V101D10-H103 VanDerWaalsContact CG-NE2 3.27Å; D10-H103 IonicContact OD1-CD2 3.54Å; D10-H103 IonicContact OD1-CE1 3.89Å; D10-H103 IonicContact OD1-NE2 3.18Å; D10-H103 PolarHBondContact OD1-NE2 3.28Å; D10-H103 IonicContact OD2-CE1 2.7Å; D10-H103 PolarHBondContact OD2-CE1 3.08Å; D10-H103 VanDerWaalsContact OD2-CE1 3.28Å; D10-H103 IonicContact OD2-NE2 2.67Å; D10-H103 PolarHBondContact OD2-NE2 3.14Å; F51-H103 HydrophobicContact CD1-CB 4.42Å; F51-H103 HydrophobicContact CE1-CB 3.47Å; F51-H103 VanDerWaalsContact CE1-CB 3.47Å; F51-H103 HydrophobicContact CZ-CB 3.67Å; Q99-H103 PolarHBondContact O-CD2 3.14Å; F100-H103 PolarHBondContact O-N 3.11Å; V101-H103 PolarHBondContact O-N 3.21Å
104I89.6Confident85.3Confident0 Ų045 Ų450%025%0.247CC..Hα-helixtrans-84.1-36.6-171.1-160.4164.6000113.1F51 L69 P70 F100 V101 L107 F108F51-I104 HydrophobicContact CE2-CB 4.35Å; F51-I104 HydrophobicContact CE2-CG1 4.27Å; L69-I104 HydrophobicContact CD1-CD1 4.22Å; P70-I104 HydrophobicContact CG-CD1 3.77Å; F100-I104 HydrophobicContact CE1-CB 4.29Å; F100-I104 HydrophobicContact CE1-CD1 3.71Å; F100-I104 HydrophobicContact CZ-CD1 4.27Å; F100-I104 PolarHBondContact O-N 3.47Å; V101-I104 PolarHBondContact O-N 2.81Å; I104-L107 VanDerWaalsContact O-CB 3.27Å; I104-L107 WeakPolarHBondContact O-CB 3.42Å; I104-L107 PolarHBondContact O-N 2.76Å; I104-F108 HydrophobicContact CD1-CE2 4.31Å; I104-F108 HydrophobicContact CG1-CD2 4.19Å; I104-F108 HydrophobicContact CG1-CE2 3.77Å; I104-F108 WeakPolarHBondContact O-CD2 3.35Å
105F88.6Confident86Confident2 Ų245.3 Ų45.31%0.00925%0.249CC..G310 helixtrans-64.2-34.6-175-76.41.2000115.9V101 L107 F108 L115 R116 I119V101-F105 HydrophobicContact CB-CE2 4.48Å; V101-F105 HydrophobicContact CB-CZ 4.49Å; V101-F105 HydrophobicContact CG1-CD1 4.14Å; V101-F105 HydrophobicContact CG1-CD2 3.29Å; V101-F105 HydrophobicContact CG1-CE1 3.98Å; V101-F105 HydrophobicContact CG1-CE2 3.15Å; V101-F105 HydrophobicContact CG1-CG 3.83Å; V101-F105 HydrophobicContact CG1-CZ 3.51Å; V101-F105 HydrophobicContact CG2-CZ 4.33Å; V101-F105 WeakPolarHBondContact O-CB 3.29Å; V101-F105 WeakPolarHBondContact O-CG 3.42Å; V101-F105 PolarHBondContact O-N 3.5Å; F105-L107 PolarHBondContact O-N 3.31Å; F105-L107 VanDerWaalsContact O-N 3.12Å; F105-F108 CarbonylContact O-C 3.54Å; F105-F108 PolarHBondContact O-N 3.33Å; F105-L115 HydrophobicContact CE1-CB 4.03Å; F105-L115 HydrophobicContact CE1-CD1 3.91Å; F105-L115 HydrophobicContact CE2-CB 3.64Å; F105-L115 HydrophobicContact CZ-CB 3.36Å; F105-L115 HydrophobicContact CZ-CD1 4.09Å; F105-L115 HydrophobicContact CZ-CG 4.36Å; F105-R116 HydrophobicContact CD2-CB 4.47Å; F105-R116 HydrophobicContact CD2-CG 3.39Å; F105-R116 HydrophobicContact CE2-CB 4.41Å; F105-R116 HydrophobicContact CE2-CG 3.76Å; F105-I119 HydrophobicContact CE1-CD1 4.41Å; F105-I119 HydrophobicContact CE2-CD1 3.94Å; F105-I119 HydrophobicContact CZ-CD1 3.43Å; F105-I119 VanDerWaalsContact CZ-CD1 3.43Å; F105-I119 HydrophobicContact CZ-CG1 4.41Å
106P87.8Confident86.1Confident83 Ų8348.2 Ų48.254%0.53925%0.253SS..G310 helixtrans-57.5-22.5171.5-26.636000113.9I102 F108I102-P106 WeakPolarHBondContact O-CD 3.31Å; I102-P106 WeakPolarHBondContact O-CG 3.34Å; P106-F108 VanDerWaalsContact C-N 3.33Å
107L88Confident86.2Confident54 Ų5451.8 Ų51.828%0.28327%0.27SS..G310 helixtrans-81.7-11.8178.7-56167.9000113.2F51 K55 I67 I104 F105F51-L107 HydrophobicContact CE2-CD1 3.64Å; F51-L107 HydrophobicContact CZ-CD1 3.81Å; K55-L107 HydrophobicContact CG-CD2 4.47Å; I67-L107 HydrophobicContact CD1-CD1 3.58Å; I104-L107 VanDerWaalsContact O-CB 3.27Å; I104-L107 WeakPolarHBondContact O-CB 3.42Å; I104-L107 PolarHBondContact O-N 2.76Å; F105-L107 PolarHBondContact O-N 3.31Å; F105-L107 VanDerWaalsContact O-N 3.12Å
108F87.9Confident86.3Confident39 Ų3953 Ų5317%0.17128%0.277CS..  trans-12969.3-177.8-61.4-83.6000110.5I67 L69 I104 F105 P106 D110 L111 S112I67-F108 HydrophobicContact CB-CZ 4.33Å; I67-F108 HydrophobicContact CG2-CE2 4.36Å; I67-F108 HydrophobicContact CG2-CZ 4.14Å; I67-F108 VanDerWaalsContact O-CZ 3.32Å; I67-F108 WeakPolarHBondContact O-CZ 3.3Å; L69-F108 HydrophobicContact CB-CE1 4.41Å; L69-F108 HydrophobicContact CB-CZ 4.18Å; L69-F108 HydrophobicContact CD1-CD2 4.16Å; L69-F108 HydrophobicContact CD1-CE2 4.06Å; I104-F108 HydrophobicContact CD1-CE2 4.31Å; I104-F108 HydrophobicContact CG1-CD2 4.19Å; I104-F108 HydrophobicContact CG1-CE2 3.77Å; I104-F108 WeakPolarHBondContact O-CD2 3.35Å; F105-F108 CarbonylContact O-C 3.54Å; F105-F108 PolarHBondContact O-N 3.33Å; P106-F108 VanDerWaalsContact C-N 3.33Å; F108-D110 VanDerWaalsContact C-N 3.28Å; F108-D110 PolarHBondContact O-N 3.09Å; F108-L111 HydrophobicContact CB-CB 4.35Å; F108-L111 HydrophobicContact CB-CD1 4.37Å; F108-L111 PolarHBondContact O-N 3.19Å; F108-L111 VanDerWaalsContact O-N 3.14Å; F108-S112 VanDerWaalsContact O-CB 3.31Å; F108-S112 WeakPolarHBondContact O-CB 3.38Å; F108-S112 PolarHBondContact O-N 2.97Å; F108-S112 VanDerWaalsContact O-N 3.11Å
109P81.9Confident86.3Confident84 Ų8453 Ų5355%0.54528%0.278SS..Hα-helixtrans-54.9-42.3-171.220.3-31.9000112.9L111 S112P109-L111 VanDerWaalsContact C-N 3.27Å; P109-L111 PolarHBondContact O-N 3.44Å; P109-S112 WeakPolarHBondContact O-CB 3.4Å; P109-S112 PolarHBondContact O-N 3.26Å; P109-S112 VanDerWaalsContact O-N 3.12Å; P109-S112 PolarHBondContact O-OG 3.36Å
110D83.1Confident86.4Confident159 Ų15954.3 Ų54.385%0.8529%0.288SS*.Hα-helixtrans-63.2-31.3-176.8-51.5-26.4000113.4F108F108-D110 VanDerWaalsContact C-N 3.28Å; F108-D110 PolarHBondContact O-N 3.09Å
111L80.7Confident86.5Confident71 Ų7160.7 Ų60.737%0.37231%0.312SS..Hα-helixtrans-95.5-11.5-179.7-76142.6000112.2F108 P109 I113 L115F108-L111 HydrophobicContact CB-CB 4.35Å; F108-L111 HydrophobicContact CB-CD1 4.37Å; F108-L111 PolarHBondContact O-N 3.19Å; F108-L111 VanDerWaalsContact O-N 3.14Å; P109-L111 VanDerWaalsContact C-N 3.27Å; P109-L111 PolarHBondContact O-N 3.44Å; L111-I113 PolarHBondContact O-N 3.04Å; L111-L115 HydrophobicContact CB-CD1 3.73Å; L111-L115 HydrophobicContact CB-CG 4.29Å; L111-L115 HydrophobicContact CD2-CD1 4.29Å; L111-L115 VanDerWaalsContact O-CB 3.29Å; L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 WeakPolarHBondContact O-CG 3.44Å; L111-L115 PolarHBondContact O-N 2.95Å
112S73.4Confident86.6Confident9 Ų960.2 Ų60.26%0.06331%0.31CS..Hα-helixtrans-72.7-31.5-158.471.50000114.4F108 P109 R116F108-S112 VanDerWaalsContact O-CB 3.31Å; F108-S112 WeakPolarHBondContact O-CB 3.38Å; F108-S112 PolarHBondContact O-N 2.97Å; F108-S112 VanDerWaalsContact O-N 3.11Å; P109-S112 WeakPolarHBondContact O-CB 3.4Å; P109-S112 PolarHBondContact O-N 3.26Å; P109-S112 VanDerWaalsContact O-N 3.12Å; P109-S112 PolarHBondContact O-OG 3.36Å; S112-R116 WeakPolarHBondContact O-CB 3.31Å; S112-R116 WeakPolarHBondContact O-CG 3.37Å; S112-R116 PolarHBondContact O-N 2.75Å; S112-R116 PolarHBondContact O-NE 3.48Å; S112-R116 PolarHBondContact OG-NH2 3.32Å
113I76.5Confident86.8Confident129 Ų12959.1 Ų59.166%0.66230%0.301SS*.Hα-helixtrans-74.5-54-176.4-62.2173.9000110.5L111 L115 R116 E117L111-I113 PolarHBondContact O-N 3.04Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.13Å; I113-R116 PolarHBondContact O-N 2.68Å; I113-E117 PolarHBondContact O-N 3.14Å; I113-E117 VanDerWaalsContact O-N 3.15Å
114D84Confident86.8Confident123 Ų12365.4 Ų65.466%0.65832%0.324SS*.Hα-helixtrans-64-38.9-177.5-67-16.3000111.9T118D114-T118 WeakPolarHBondContact O-CB 3.3Å; D114-T118 PolarHBondContact O-N 3.05Å; D114-T118 PolarHBondContact O-OG1 3.41Å
115L85.8Confident86.8Confident10 Ų1067.6 Ų67.65%0.05235%0.346CS..Hα-helixtrans-68.2-36.8177.5-66.3-176.8000112.1L78 F105 L111 I113 T118 I119L78-L115 HydrophobicContact CD1-CD2 3.43Å; L78-L115 VanDerWaalsContact CD1-CD2 3.43Å; F105-L115 HydrophobicContact CE1-CB 4.03Å; F105-L115 HydrophobicContact CE1-CD1 3.91Å; F105-L115 HydrophobicContact CE2-CB 3.64Å; F105-L115 HydrophobicContact CZ-CB 3.36Å; F105-L115 HydrophobicContact CZ-CD1 4.09Å; F105-L115 HydrophobicContact CZ-CG 4.36Å; L111-L115 HydrophobicContact CB-CD1 3.73Å; L111-L115 HydrophobicContact CB-CG 4.29Å; L111-L115 HydrophobicContact CD2-CD1 4.29Å; L111-L115 VanDerWaalsContact O-CB 3.29Å; L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 WeakPolarHBondContact O-CG 3.44Å; L111-L115 PolarHBondContact O-N 2.95Å; I113-L115 VanDerWaalsContact C-N 3.32Å; I113-L115 PolarHBondContact O-N 3.13Å; L115-T118 PolarHBondContact O-N 3.45Å; L115-I119 WeakPolarHBondContact O-CB 3.48Å; L115-I119 WeakPolarHBondContact O-CG1 3.45Å; L115-I119 PolarHBondContact O-N 3.4Å
116R86.6Confident86.9Confident115 Ų11567.5 Ų67.543%0.43435%0.346SS..Hα-helixtrans-60.9-49.4175.1-83.1-177.7-97.1-119.812.3111.5F105 S112 I113 T118 I119 A120F105-R116 HydrophobicContact CD2-CB 4.47Å; F105-R116 HydrophobicContact CD2-CG 3.39Å; F105-R116 HydrophobicContact CE2-CB 4.41Å; F105-R116 HydrophobicContact CE2-CG 3.76Å; S112-R116 WeakPolarHBondContact O-CB 3.31Å; S112-R116 WeakPolarHBondContact O-CG 3.37Å; S112-R116 PolarHBondContact O-N 2.75Å; S112-R116 PolarHBondContact O-NE 3.48Å; S112-R116 PolarHBondContact OG-NH2 3.32Å; I113-R116 PolarHBondContact O-N 2.68Å; R116-T118 VanDerWaalsContact C-N 3.32Å; R116-T118 PolarHBondContact O-N 3.2Å; R116-I119 PolarHBondContact O-N 2.82Å; R116-A120 WeakPolarHBondContact O-CB 3.48Å; R116-A120 PolarHBondContact O-N 3.08Å
117E89.4Confident87.1Confident94 Ų9466.5 Ų66.544%0.43934%0.338SS..Hα-helixtrans-66.9-38.1-179.4-172.155.7-149.800111.4I113 I119 A120 R121 R124I113-E117 PolarHBondContact O-N 3.14Å; I113-E117 VanDerWaalsContact O-N 3.15Å; E117-I119 PolarHBondContact O-N 3.01Å; E117-A120 PolarHBondContact O-N 3.37Å; E117-R121 WeakPolarHBondContact O-CB 3.46Å; E117-R121 VanDerWaalsContact O-CG 3.32Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 2.96Å; E117-R124 IonicContact OE1-NH1 3.28Å; E117-R124 PolarHBondContact OE1-NH1 3.02Å
118T90.9Very high87Confident26 Ų2674.5 Ų74.516%0.1636%0.364CS..Hα-helixtrans-59.5-47.5175.4-58.40000111.3L78 L82 D114 L115 R116 R121 I122L78-T118 HydrophobicContact CB-CG2 4.06Å; L82-T118 HydrophobicContact CD1-CG2 4.37Å; L82-T118 HydrophobicContact CD2-CG2 4.36Å; D114-T118 WeakPolarHBondContact O-CB 3.3Å; D114-T118 PolarHBondContact O-N 3.05Å; D114-T118 PolarHBondContact O-OG1 3.41Å; L115-T118 PolarHBondContact O-N 3.45Å; R116-T118 VanDerWaalsContact C-N 3.32Å; R116-T118 PolarHBondContact O-N 3.2Å; T118-R121 PolarHBondContact O-N 3.42Å; T118-I122 HydrophobicContact CG2-CD1 4.15Å; T118-I122 WeakPolarHBondContact O-CG1 3.46Å; T118-I122 PolarHBondContact O-N 3.46Å
119I91.2Very high87Confident10 Ų1074.5 Ų74.55%0.05137%0.365CS..Hα-helixtrans-67-39178.8-69.8-174.1000111.5Y73 L78 F97 Y98 V101 F105 L115 R116 E117 R121 I122 Y123Y73-I119 HydrophobicContact CD1-CD1 4.08Å; Y73-I119 HydrophobicContact CE1-CD1 4.35Å; L78-I119 HydrophobicContact CD2-CD1 4.3Å; L78-I119 HydrophobicContact CD2-CG1 4.06Å; F97-I119 HydrophobicContact CE1-CD1 4.12Å; F97-I119 HydrophobicContact CE1-CG1 4.44Å; F97-I119 HydrophobicContact CE1-CG2 4.17Å; F97-I119 HydrophobicContact CZ-CD1 4.2Å; Y98-I119 HydrophobicContact CD1-CG2 3.64Å; Y98-I119 HydrophobicContact CE1-CG2 3.74Å; V101-I119 HydrophobicContact CB-CD1 4.32Å; V101-I119 HydrophobicContact CG1-CD1 3.93Å; V101-I119 HydrophobicContact CG2-CD1 3.41Å; V101-I119 VanDerWaalsContact CG2-CD1 3.41Å; F105-I119 HydrophobicContact CE1-CD1 4.41Å; F105-I119 HydrophobicContact CE2-CD1 3.94Å; F105-I119 HydrophobicContact CZ-CD1 3.43Å; F105-I119 VanDerWaalsContact CZ-CD1 3.43Å; F105-I119 HydrophobicContact CZ-CG1 4.41Å; L115-I119 WeakPolarHBondContact O-CB 3.48Å; L115-I119 WeakPolarHBondContact O-CG1 3.45Å; L115-I119 PolarHBondContact O-N 3.4Å; R116-I119 PolarHBondContact O-N 2.82Å; E117-I119 PolarHBondContact O-N 3.01Å; I119-R121 VanDerWaalsContact C-N 3.32Å; I119-R121 PolarHBondContact O-N 2.9Å; I119-I122 PolarHBondContact O-N 3.3Å; I119-Y123 PolarHBondContact O-N 3.5Å
120A91.2Very high87.4Confident28 Ų2870.8 Ų70.823%0.23134%0.341CS..Hα-helixtrans-61-40.9174.200000111.8R116 E117 Y123 R124R116-A120 WeakPolarHBondContact O-CB 3.48Å; R116-A120 PolarHBondContact O-N 3.08Å; E117-A120 PolarHBondContact O-N 3.37Å; A120-Y123 PolarHBondContact O-N 3.27Å; A120-R124 VanDerWaalsContact O-CG 3.3Å; A120-R124 WeakPolarHBondContact O-CG 3.24Å; A120-R124 PolarHBondContact O-N 3.47Å
121R92.5Very high87.6Confident137 Ų13766.1 Ų66.152%0.51732%0.318SS..Hα-helixtrans-65-42174.9-73.117764.4-169-1.8112.4L82 E117 T118 I119 Y123 R124 G125L82-R121 HydrophobicContact CD1-CB 3.6Å; E117-R121 WeakPolarHBondContact O-CB 3.46Å; E117-R121 VanDerWaalsContact O-CG 3.32Å; E117-R121 WeakPolarHBondContact O-CG 3.33Å; E117-R121 PolarHBondContact O-N 2.96Å; T118-R121 PolarHBondContact O-N 3.42Å; I119-R121 VanDerWaalsContact C-N 3.32Å; I119-R121 PolarHBondContact O-N 2.9Å; R121-Y123 VanDerWaalsContact C-N 3.34Å; R121-R124 PolarHBondContact O-N 3.36Å; R121-G125 PolarHBondContact O-N 3.3Å
122I91.4Very high88Confident1 Ų164.7 Ų64.71%0.00532%0.321CS..Hα-helixtrans-57.9-49.4173.9-67.4161.5000109.8L78 A81 L82 P85 T118 I119 G125 R126L78-I122 HydrophobicContact CD2-CD1 4.09Å; A81-I122 HydrophobicContact CB-CD1 3.63Å; A81-I122 HydrophobicContact CB-CG1 4.12Å; A81-I122 HydrophobicContact CB-CG2 4.39Å; L82-I122 HydrophobicContact CB-CG1 4.29Å; L82-I122 HydrophobicContact CD1-CG1 4.11Å; P85-I122 HydrophobicContact CB-CG2 4.33Å; T118-I122 HydrophobicContact CG2-CD1 4.15Å; T118-I122 WeakPolarHBondContact O-CG1 3.46Å; T118-I122 PolarHBondContact O-N 3.46Å; I119-I122 PolarHBondContact O-N 3.3Å; I122-G125 PolarHBondContact O-N 2.9Å; I122-R126 WeakPolarHBondContact O-CG 3.14Å; I122-R126 PolarHBondContact O-N 3.45Å; I122-R126 VanDerWaalsContact O-N 3.12Å
123Y91.6Very high88.7Confident53 Ų5367.9 Ų67.921%0.20833%0.332CS..Hα-helixtrans-58.3-51.1178.1-179.3-111.1000111.8Y98 I119 A120 R121 G125 R126 V127 E150 M153Y98-Y123 HydrophobicContact CD2-CD2 4.2Å; Y98-Y123 HydrophobicContact CE1-CD2 4.28Å; Y98-Y123 AromaticContact CE2-CD2 3.53Å; Y98-Y123 HydrophobicContact CE2-CD2 3.53Å; Y98-Y123 HydrophobicContact CE2-CE2 4.16Å; Y98-Y123 HydrophobicContact CE2-CG 4.49Å; Y98-Y123 AromaticContact CZ-CD2 3.61Å; Y98-Y123 WeakPolarHBondContact OH-CA 3.4Å; I119-Y123 PolarHBondContact O-N 3.5Å; A120-Y123 PolarHBondContact O-N 3.27Å; R121-Y123 VanDerWaalsContact C-N 3.34Å; Y123-G125 VanDerWaalsContact C-N 3.3Å; Y123-G125 PolarHBondContact O-N 2.8Å; Y123-R126 PolarHBondContact O-N 3.22Å; Y123-V127 HydrophobicContact CD1-CG2 4.49Å; Y123-V127 HydrophobicContact CE1-CG2 4.26Å; Y123-V127 WeakPolarHBondContact O-CG2 3.34Å; Y123-V127 PolarHBondContact O-N 3.12Å; Y123-V127 VanDerWaalsContact O-N 3.08Å; Y123-E150 HydrophobicContact CE2-CG 4.27Å; Y123-M153 WeakPolarHBondContact OH-CG 3.5Å
124R91.5Very high89.3Confident147 Ų14761.8 Ų61.856%0.55530%0.301SS*.Hα-helixtrans-57.2-41.1177.3-71.3174.7-166.8133.50.7112.3E117 A120 R121 R126 V127E117-R124 IonicContact OE1-NH1 3.28Å; E117-R124 PolarHBondContact OE1-NH1 3.02Å; A120-R124 VanDerWaalsContact O-CG 3.3Å; A120-R124 WeakPolarHBondContact O-CG 3.24Å; A120-R124 PolarHBondContact O-N 3.47Å; R121-R124 PolarHBondContact O-N 3.36Å; R124-R126 VanDerWaalsContact C-N 3.26Å; R124-R126 PolarHBondContact O-N 3.19Å; R124-V127 PolarHBondContact O-N 3.4Å
125G89.6Confident89.4Confident45 Ų4562.2 Ų62.246%0.46429%0.294SS..Hα-helixtrans-61.9-34176.600000113.1R121 I122 Y123R121-G125 PolarHBondContact O-N 3.3Å; I122-G125 PolarHBondContact O-N 2.9Å; Y123-G125 VanDerWaalsContact C-N 3.3Å; Y123-G125 PolarHBondContact O-N 2.8Å
126R90.9Very high89.2Confident1 Ų165.6 Ų65.60%0.00431%0.312CS..Hα-helixtrans-81.5-22.5179.2-67.4174.160.598.1-7.7113.5P85 A86 F88 I122 Y123 R124 R128 M129 I130 H145 E150P85-R126 HydrophobicContact CB-CG 3.45Å; P85-R126 VanDerWaalsContact CB-CG 3.45Å; P85-R126 WeakPolarHBondContact O-CD 3.38Å; P85-R126 PolarHBondContact O-NH1 3.26Å; A86-R126 PolarHBondContact O-NH1 3.38Å; F88-R126 PolarHBondContact O-NH1 3.11Å; I122-R126 WeakPolarHBondContact O-CG 3.14Å; I122-R126 PolarHBondContact O-N 3.45Å; I122-R126 VanDerWaalsContact O-N 3.12Å; Y123-R126 PolarHBondContact O-N 3.22Å; R124-R126 VanDerWaalsContact C-N 3.26Å; R124-R126 PolarHBondContact O-N 3.19Å; R126-R128 VanDerWaalsContact C-N 3.28Å; R126-R128 PolarHBondContact O-N 3.44Å; R126-M129 WeakPolarHBondContact O-CB 3.11Å; R126-M129 PolarHBondContact O-N 2.94Å; R126-I130 HydrophobicContact CB-CD1 4.23Å; R126-I130 WeakPolarHBondContact O-CG1 3.25Å; R126-I130 PolarHBondContact O-N 3.18Å; R126-H145 PolarHBondContact NH2-O 2.94Å; R126-E150 WeakPolarHBondContact CD-OE1 3.44Å; R126-E150 IonicContact CZ-OE1 2.68Å; R126-E150 IonicContact CZ-OE2 3.45Å; R126-E150 IonicContact NE-OE1 2.9Å; R126-E150 PolarHBondContact NE-OE1 3.32Å; R126-E150 IonicContact NE-OE2 2.75Å; R126-E150 PolarHBondContact NE-OE2 3.08Å; R126-E150 IonicContact NH2-OE1 3.56Å; R126-E150 IonicContact NH2-OE2 3.56Å; R126-E150 PolarHBondContact NH2-OE2 3.4Å
127V90.2Very high88.3Confident61 Ų6164.7 Ų64.737%0.3732%0.316SS..Hα-helixtrans-52.9-45.2178.1172.80000111.7Y123 R124 M129 I130 T131Y123-V127 HydrophobicContact CD1-CG2 4.49Å; Y123-V127 HydrophobicContact CE1-CG2 4.26Å; Y123-V127 WeakPolarHBondContact O-CG2 3.34Å; Y123-V127 PolarHBondContact O-N 3.12Å; Y123-V127 VanDerWaalsContact O-N 3.08Å; R124-V127 PolarHBondContact O-N 3.4Å; V127-M129 VanDerWaalsContact C-N 3.32Å; V127-M129 PolarHBondContact O-N 3.11Å; V127-I130 PolarHBondContact O-N 3.43Å; V127-T131 WeakPolarHBondContact O-CB 3.43Å; V127-T131 PolarHBondContact O-N 3.16Å; V127-T131 PolarHBondContact O-OG1 2.68Å
128R87Confident87.3Confident223 Ų22367.2 Ų67.284%0.84233%0.332SS*.Hα-helixtrans-60.2-42.4179.8-173.3179-178-167.41.1112.3R126 G132R126-R128 VanDerWaalsContact C-N 3.28Å; R126-R128 PolarHBondContact O-N 3.44Å; R128-G132 PolarHBondContact O-N 3.3Å
129M87.7Confident86.1Confident39 Ų3966.8 Ų66.819%0.19233%0.331CS..Hα-helixtrans-64.7-48177.3176.5-145.2-151.600111A86 R126 V127 T131 G132 Y133 H145A86-M129 HydrophobicContact CB-CE 3.66Å; A86-M129 HydrophobicContact CB-SD 4.08Å; A86-M129 WeakPolarHBondContact O-CE 3.29Å; R126-M129 WeakPolarHBondContact O-CB 3.11Å; R126-M129 PolarHBondContact O-N 2.94Å; V127-M129 VanDerWaalsContact C-N 3.32Å; V127-M129 PolarHBondContact O-N 3.11Å; M129-T131 VanDerWaalsContact C-N 3.33Å; M129-T131 PolarHBondContact O-N 3.47Å; M129-G132 PolarHBondContact O-N 3.28Å; M129-G132 VanDerWaalsContact O-N 3.13Å; M129-Y133 HydrophobicContact CE-CE2 3.67Å; M129-Y133 VanDerWaalsContact CE-OH 3.29Å; M129-Y133 WeakPolarHBondContact CE-OH 3.29Å; M129-Y133 HydrophobicContact CG-CD2 4.1Å; M129-Y133 HydrophobicContact CG-CE2 3.5Å; M129-Y133 VanDerWaalsContact CG-CE2 3.5Å; M129-Y133 WeakPolarHBondContact O-CD2 3.14Å; M129-Y133 PolarHBondContact O-N 3.28Å; M129-Y133 HydrophobicContact SD-CE2 3.78Å; M129-H145 WeakPolarHBondContact CE-NE2 3.32Å
130I89.7Confident84.7Confident6 Ų671.7 Ų71.73%0.03136%0.361CS..Hα-helixtrans-58.9-45.5178.5-65.6161.9000110.7R126 V127 G132 Y133 A134 L146 E150 M153 F154R126-I130 HydrophobicContact CB-CD1 4.23Å; R126-I130 WeakPolarHBondContact O-CG1 3.25Å; R126-I130 PolarHBondContact O-N 3.18Å; V127-I130 PolarHBondContact O-N 3.43Å; I130-G132 PolarHBondContact O-N 2.62Å; I130-Y133 WeakPolarHBondContact O-CB 3.48Å; I130-Y133 PolarHBondContact O-N 2.84Å; I130-A134 PolarHBondContact O-N 3.1Å; I130-L146 HydrophobicContact CG1-CD2 3.98Å; I130-E150 HydrophobicContact CD1-CB 3.65Å; I130-E150 HydrophobicContact CD1-CG 3.67Å; I130-E150 HydrophobicContact CG1-CB 4.47Å; I130-M153 HydrophobicContact CG2-CB 4.34Å; I130-F154 HydrophobicContact CG2-CB 3.93Å
131T88.1Confident83.6Confident60 Ų6077.3 Ų77.337%0.36839%0.386SS..Hα-helixtrans-61.2-44.3175.5-58.80000111.1V127 M129 Y133 A134 Y135V127-T131 WeakPolarHBondContact O-CB 3.43Å; V127-T131 PolarHBondContact O-N 3.16Å; V127-T131 PolarHBondContact O-OG1 2.68Å; M129-T131 VanDerWaalsContact C-N 3.33Å; M129-T131 PolarHBondContact O-N 3.47Å; T131-Y133 VanDerWaalsContact C-N 3.27Å; T131-Y133 PolarHBondContact O-N 3.37Å; T131-A134 WeakPolarHBondContact O-CB 3.48Å; T131-A134 PolarHBondContact O-N 3.45Å; T131-Y135 HydrophobicContact CG2-CD2 3.68Å; T131-Y135 HydrophobicContact CG2-CE2 3.5Å; T131-Y135 VanDerWaalsContact CG2-CE2 3.5Å; T131-Y135 VanDerWaalsContact O-CD2 3.29Å; T131-Y135 WeakPolarHBondContact O-CD2 3.35Å; T131-Y135 PolarHBondContact O-N 2.95Å; T131-Y135 VanDerWaalsContact O-N 3.15Å
132G88.8Confident82.6Confident42 Ų4274.8 Ų74.843%0.43338%0.379SS..Hα-helixtrans-56.3-39.8174.600000113.1R128 M129 I130 N136R128-G132 PolarHBondContact O-N 3.3Å; M129-G132 PolarHBondContact O-N 3.28Å; M129-G132 VanDerWaalsContact O-N 3.13Å; I130-G132 PolarHBondContact O-N 2.62Å; G132-N136 PolarHBondContact O-N 3Å
133Y87.6Confident81.8Confident75 Ų7575.6 Ų75.629%0.29438%0.384SS..Hα-helixtrans-67.8-34.8172.9-65.9-46.2000113.3M129 I130 T131 Y135 S139 P143 H145M129-Y133 HydrophobicContact CE-CE2 3.67Å; M129-Y133 VanDerWaalsContact CE-OH 3.29Å; M129-Y133 WeakPolarHBondContact CE-OH 3.29Å; M129-Y133 HydrophobicContact CG-CD2 4.1Å; M129-Y133 HydrophobicContact CG-CE2 3.5Å; M129-Y133 VanDerWaalsContact CG-CE2 3.5Å; M129-Y133 WeakPolarHBondContact O-CD2 3.14Å; M129-Y133 PolarHBondContact O-N 3.28Å; M129-Y133 HydrophobicContact SD-CE2 3.78Å; I130-Y133 WeakPolarHBondContact O-CB 3.48Å; I130-Y133 PolarHBondContact O-N 2.84Å; T131-Y133 VanDerWaalsContact C-N 3.27Å; T131-Y133 PolarHBondContact O-N 3.37Å; Y133-Y135 VanDerWaalsContact C-N 3.35Å; Y133-S139 PolarHBondContact O-OG 3.41Å; Y133-P143 HydrophobicContact CD1-CG 4.36Å; Y133-P143 HydrophobicContact CD2-CB 4.3Å; Y133-P143 HydrophobicContact CD2-CG 3.49Å; Y133-P143 VanDerWaalsContact CD2-CG 3.49Å; Y133-P143 HydrophobicContact CE2-CB 4.15Å; Y133-P143 HydrophobicContact CE2-CG 3.83Å; Y133-P143 HydrophobicContact CG-CG 3.78Å; Y133-H145 AromaticContact CE2-CE1 3.97Å; Y133-H145 AromaticContact CE2-NE2 3.86Å
134A88.6Confident81.3Confident1 Ų179.1 Ų79.11%0.00841%0.412CS..Hα-helixtrans-66.7-37.3179.700000112.5I130 T131 F154 R158I130-A134 PolarHBondContact O-N 3.1Å; T131-A134 WeakPolarHBondContact O-CB 3.48Å; T131-A134 PolarHBondContact O-N 3.45Å; A134-F154 HydrophobicContact CB-CD2 4.35Å; A134-R158 HydrophobicContact CB-CB 4.46Å; A134-R158 WeakPolarHBondContact O-CD 3.3Å; A134-R158 PolarHBondContact O-NH1 2.76Å
135Y86.1Confident80.9Confident132 Ų13274.1 Ų74.152%0.51840%0.395SS..Hα-helixtrans-81.2-22.3-178.3-81.2-78.6000114.8T131 Y133 D137 H161T131-Y135 HydrophobicContact CG2-CD2 3.68Å; T131-Y135 HydrophobicContact CG2-CE2 3.5Å; T131-Y135 VanDerWaalsContact CG2-CE2 3.5Å; T131-Y135 VanDerWaalsContact O-CD2 3.29Å; T131-Y135 WeakPolarHBondContact O-CD2 3.35Å; T131-Y135 PolarHBondContact O-N 2.95Å; T131-Y135 VanDerWaalsContact O-N 3.15Å; Y133-Y135 VanDerWaalsContact C-N 3.35Å; Y135-D137 PolarHBondContact O-N 3.2Å; Y135-H161 HydrophobicContact CD1-CB 4.33Å; Y135-H161 AromaticContact CD1-CE1 3.67Å; Y135-H161 AromaticContact CD1-CG 3.73Å; Y135-H161 AromaticContact CD1-ND1 3.36Å; Y135-H161 WeakPolarHBondContact CD1-ND1 3.33Å; Y135-H161 HydrophobicContact CE1-CB 4.36Å; Y135-H161 AromaticContact CE1-ND1 3.56Å; Y135-H161 PolarHBondContact O-NE2 3.42Å
136N83.5Confident80.7Confident82 Ų8272 Ų7244%0.43937%0.372SS..  trans-76.7122.2-175.1-173.6-2.3000110.4G132 N138 S139 R158G132-N136 PolarHBondContact O-N 3Å; N136-N138 PolarHBondContact O-N 2.92Å; N136-N138 PolarHBondContact OD1-N 3.27Å; N136-S139 WeakPolarHBondContact CB-OG 3.4Å; N136-S139 PolarHBondContact O-N 3.23Å; N136-S139 VanDerWaalsContact O-N 3.16Å; N136-S139 PolarHBondContact O-OG 2.77Å; N136-R158 PolarHBondContact O-NH1 3Å
137D65.9Low80.7Confident95 Ų9572 Ų7251%0.50837%0.372SS..THydrogen-bonded Turntrans-60.4-30.9-176.4-79.7-33.6000112.9Y135 S139 R158Y135-D137 PolarHBondContact O-N 3.2Å; D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 PolarHBondContact O-N 3.5Å; D137-R158 PolarHBondContact O-NH2 3.3Å
138N70.1Confident80.6Confident147 Ų14770.7 Ų70.779%0.78636%0.363SS*.THydrogen-bonded Turntrans-75.4-17.4-179.1-66.4-24.7000114.1N136 V140N136-N138 PolarHBondContact O-N 2.92Å; N136-N138 PolarHBondContact OD1-N 3.27Å; N138-V140 VanDerWaalsContact C-N 3.29Å; N138-V140 PolarHBondContact O-N 3.06Å; N138-V140 VanDerWaalsContact O-N 3.11Å
139S64.8Low80.8Confident17 Ų1764.1 Ų64.112%0.11934%0.339CS..  trans-89.166.7177.939.70000111.1Y133 N136 D137 L141Y133-S139 PolarHBondContact O-OG 3.41Å; N136-S139 WeakPolarHBondContact CB-OG 3.4Å; N136-S139 PolarHBondContact O-N 3.23Å; N136-S139 VanDerWaalsContact O-N 3.16Å; N136-S139 PolarHBondContact O-OG 2.77Å; D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 PolarHBondContact O-N 3.5Å; S139-L141 PolarHBondContact O-N 3Å
140V61.3Low80.9Confident114 Ų11462.2 Ų62.269%0.69133%0.329SS*.  trans-66.5-30.8167.3-175.40000110.4N138N138-V140 VanDerWaalsContact C-N 3.29Å; N138-V140 PolarHBondContact O-N 3.06Å; N138-V140 VanDerWaalsContact O-N 3.11Å
141L67.8Low80.9Confident145 Ų14562.5 Ų62.576%0.75933%0.331SS*.SBendtrans-93.3133.8-175.4-62.9173.6000111.8S139S139-L141 PolarHBondContact O-N 3Å
142K71.7Confident81Confident84 Ų8463.8 Ų63.837%0.36533%0.332SS..PPolyproline II helixtrans-52.7127.9170.4176.2-167163.2168.20109.4T144 T151 F154K142-T144 PolarHBondContact O-N 3.37Å; K142-T151 HydrophobicContact CD-CG2 3.59Å; K142-T151 WeakPolarHBondContact CE-OG1 3.28Å; K142-T151 HydrophobicContact CG-CG2 4.25Å; K142-T151 PolarHBondContact NZ-OG1 3.38Å; K142-F154 HydrophobicContact CB-CE1 4.36Å
143P75.6Confident81.1Confident18 Ų1866.5 Ų66.512%0.11733%0.334CS..PPolyproline II helixtrans-61.4129.2171.5-1424.1000110.7Y133 H145 L146Y133-P143 HydrophobicContact CD1-CG 4.36Å; Y133-P143 HydrophobicContact CD2-CB 4.3Å; Y133-P143 HydrophobicContact CD2-CG 3.49Å; Y133-P143 VanDerWaalsContact CD2-CG 3.49Å; Y133-P143 HydrophobicContact CE2-CB 4.15Å; Y133-P143 HydrophobicContact CE2-CG 3.83Å; Y133-P143 HydrophobicContact CG-CG 3.78Å; P143-H145 WeakPolarHBondContact CB-CE1 3.46Å; P143-H145 PolarHBondContact O-N 3.09Å; P143-H145 VanDerWaalsContact O-N 3.09Å; P143-L146 HydrophobicContact CB-CD1 4.24Å; P143-L146 HydrophobicContact CB-CG 4.02Å; P143-L146 HydrophobicContact CG-CD1 3.89Å; P143-L146 HydrophobicContact CG-CG 4.22Å; P143-L146 PolarHBondContact O-N 3.4Å
144T80.2Confident81.3Confident128 Ų12863.4 Ų63.479%0.78532%0.323SS*.THydrogen-bonded Turntrans-67.4-12.4-170.552.70000114.8T91 K142T91-T144 PolarHBondContact OG1-O 2.93Å; K142-T144 PolarHBondContact O-N 3.37Å
145H83.2Confident81.4Confident42 Ų4268.9 Ų68.919%0.19435%0.348CS..THydrogen-bonded Turntrans-100.95.1-175.161.3-89.6000113.6T91 R126 M129 Y133 P143T91-H145 WeakPolarHBondContact OG1-CA 3.35Å; T91-H145 PolarHBondContact OG1-O 2.75Å; R126-H145 PolarHBondContact NH2-O 2.94Å; M129-H145 WeakPolarHBondContact CE-NE2 3.32Å; Y133-H145 AromaticContact CE2-CE1 3.97Å; Y133-H145 AromaticContact CE2-NE2 3.86Å; P143-H145 WeakPolarHBondContact CB-CE1 3.46Å; P143-H145 PolarHBondContact O-N 3.09Å; P143-H145 VanDerWaalsContact O-N 3.09Å
146L87Confident81.7Confident0 Ų067.9 Ų67.90%035%0.351CS..  trans-83.6141.1177-60.6-173.6000111.8T91 I130 P143 E150 F154T91-L146 WeakPolarHBondContact CG2-O 3.49Å; T91-L146 PolarHBondContact OG1-N 2.63Å; T91-L146 PolarHBondContact OG1-O 2.9Å; T91-L146 VanDerWaalsContact OG1-O 3.11Å; I130-L146 HydrophobicContact CG1-CD2 3.98Å; P143-L146 HydrophobicContact CB-CD1 4.24Å; P143-L146 HydrophobicContact CB-CG 4.02Å; P143-L146 HydrophobicContact CG-CD1 3.89Å; P143-L146 HydrophobicContact CG-CG 4.22Å; P143-L146 PolarHBondContact O-N 3.4Å; L146-E150 WeakPolarHBondContact CA-OE2 3.33Å; L146-E150 HydrophobicContact CB-CB 3.97Å; L146-E150 HydrophobicContact CD2-CB 4.19Å; L146-E150 HydrophobicContact CG-CB 4.44Å; L146-F154 HydrophobicContact CD1-CB 4.02Å; L146-F154 HydrophobicContact CD1-CG 4.35Å
147D89.7Confident82.1Confident0 Ų065.5 Ų65.50%035%0.345CS..  trans-71.9166.8168172.192000112.3M90 Q96 F97 Y98 W149 E150 T151M90-D147 HydrophobicContact CE-CB 3.39Å; Q96-D147 VanDerWaalsContact C-OD1 3.27Å; Q96-D147 WeakPolarHBondContact CA-OD1 3.09Å; F97-D147 WeakPolarHBondContact CA-OD1 3.28Å; F97-D147 WeakPolarHBondContact CB-OD1 3.44Å; F97-D147 PolarHBondContact N-OD1 3.32Å; Y98-D147 HydrophobicContact CD2-CB 4.16Å; Y98-D147 WeakPolarHBondContact CD2-OD2 3.33Å; Y98-D147 HydrophobicContact CE2-CB 4.31Å; D147-W149 VanDerWaalsContact C-N 3.34Å; D147-W149 PolarHBondContact O-N 3.43Å; D147-W149 WeakPolarHBondContact OD2-CB 3.38Å; D147-W149 PolarHBondContact OD2-N 3.39Å; D147-E150 HydrophobicContact CB-CB 4.49Å; D147-E150 HydrophobicContact CB-CG 4.17Å; D147-E150 PolarHBondContact N-OE2 2.92Å; D147-E150 VanDerWaalsContact N-OE2 3.13Å; D147-E150 PolarHBondContact O-N 3.47Å; D147-T151 WeakPolarHBondContact O-CB 3.08Å; D147-T151 PolarHBondContact O-N 2.94Å; D147-T151 PolarHBondContact O-OG1 2.93Å
148N88.7Confident83.2Confident34 Ų3462.5 Ų62.518%0.18233%0.326CS..Hα-helixtrans-55.5-44.3176.9-78.67.8000113.1D9 P95 T151 K152D9-N148 PolarHBondContact OD1-ND2 3.46Å; D9-N148 VanDerWaalsContact OD1-ND2 3.15Å; P95-N148 WeakPolarHBondContact O-CB 3.48Å; P95-N148 PolarHBondContact O-N 2.95Å; P95-N148 PolarHBondContact O-OD1 2.86Å; N148-T151 WeakPolarHBondContact O-CB 3.46Å; N148-T151 PolarHBondContact O-N 3.04Å; N148-K152 WeakPolarHBondContact O-CG 3.39Å; N148-K152 PolarHBondContact O-N 3.03Å
149W90Very high84.2Confident85 Ų8558.9 Ų58.932%0.32231%0.313SS..Hα-helixtrans-66.3-41.9178.8-73.121.4000111.6Y98 Q99 I102 D147 T151 K152 M153Y98-W149 HydrophobicContact CD2-CB 4.22Å; Y98-W149 HydrophobicContact CG-CE3 4.42Å; Q99-W149 HydrophobicContact CB-CZ2 4.34Å; I102-W149 HydrophobicContact CD1-CH2 3.52Å; I102-W149 HydrophobicContact CD1-CZ2 3.63Å; D147-W149 VanDerWaalsContact C-N 3.34Å; D147-W149 PolarHBondContact O-N 3.43Å; D147-W149 WeakPolarHBondContact OD2-CB 3.38Å; D147-W149 PolarHBondContact OD2-N 3.39Å; W149-T151 VanDerWaalsContact C-N 3.29Å; W149-T151 PolarHBondContact O-N 3.31Å; W149-K152 PolarHBondContact O-N 3.27Å; W149-M153 PolarHBondContact O-N 3.27Å
150E90.7Very high85.5Confident0 Ų059.6 Ų59.60%032%0.323CS..Hα-helixtrans-66.2-34.4175.8-60.9-175.6146.300112.1Y98 Y123 R126 I130 L146 D147 M153 F154Y98-E150 HydrophobicContact CD2-CG 4.43Å; Y98-E150 HydrophobicContact CE2-CG 3.71Å; Y98-E150 PolarHBondContact OH-OE1 2.89Å; Y123-E150 HydrophobicContact CE2-CG 4.27Å; R126-E150 WeakPolarHBondContact CD-OE1 3.44Å; R126-E150 IonicContact CZ-OE1 2.68Å; R126-E150 IonicContact CZ-OE2 3.45Å; R126-E150 IonicContact NE-OE1 2.9Å; R126-E150 PolarHBondContact NE-OE1 3.32Å; R126-E150 IonicContact NE-OE2 2.75Å; R126-E150 PolarHBondContact NE-OE2 3.08Å; R126-E150 IonicContact NH2-OE1 3.56Å; R126-E150 IonicContact NH2-OE2 3.56Å; R126-E150 PolarHBondContact NH2-OE2 3.4Å; I130-E150 HydrophobicContact CD1-CB 3.65Å; I130-E150 HydrophobicContact CD1-CG 3.67Å; I130-E150 HydrophobicContact CG1-CB 4.47Å; L146-E150 WeakPolarHBondContact CA-OE2 3.33Å; L146-E150 HydrophobicContact CB-CB 3.97Å; L146-E150 HydrophobicContact CD2-CB 4.19Å; L146-E150 HydrophobicContact CG-CB 4.44Å; D147-E150 HydrophobicContact CB-CB 4.49Å; D147-E150 HydrophobicContact CB-CG 4.17Å; D147-E150 PolarHBondContact N-OE2 2.92Å; D147-E150 VanDerWaalsContact N-OE2 3.13Å; D147-E150 PolarHBondContact O-N 3.47Å; E150-M153 PolarHBondContact O-N 3Å; E150-F154 WeakPolarHBondContact O-CB 3.43Å; E150-F154 PolarHBondContact O-N 3.28Å
151T89.6Confident86.8Confident11 Ų1155.3 Ų55.37%0.06730%0.295CS..Hα-helixtrans-64.6-45.4175-56.80000110.7K142 D147 N148 W149 M153 F154 Q155K142-T151 HydrophobicContact CD-CG2 3.59Å; K142-T151 WeakPolarHBondContact CE-OG1 3.28Å; K142-T151 HydrophobicContact CG-CG2 4.25Å; K142-T151 PolarHBondContact NZ-OG1 3.38Å; D147-T151 WeakPolarHBondContact O-CB 3.08Å; D147-T151 PolarHBondContact O-N 2.94Å; D147-T151 PolarHBondContact O-OG1 2.93Å; N148-T151 WeakPolarHBondContact O-CB 3.46Å; N148-T151 PolarHBondContact O-N 3.04Å; W149-T151 VanDerWaalsContact C-N 3.29Å; W149-T151 PolarHBondContact O-N 3.31Å; T151-M153 VanDerWaalsContact C-N 3.31Å; T151-M153 PolarHBondContact O-N 3.44Å; T151-F154 PolarHBondContact O-N 2.89Å; T151-Q155 HydrophobicContact CG2-CG 4.48Å; T151-Q155 WeakPolarHBondContact O-CB 3.3Å; T151-Q155 VanDerWaalsContact O-CG 3.3Å; T151-Q155 WeakPolarHBondContact O-CG 3.4Å; T151-Q155 PolarHBondContact O-N 2.97Å
152K90Very high87.8Confident87 Ų8751.6 Ų51.638%0.37828%0.276SS..Hα-helixtrans-58.7-45.9174.9-71.2175.7-176.6179.90110.1D9 N148 W149 F154 Q155 I156D9-K152 VanDerWaalsContact OD2-CE 3.29Å; D9-K152 WeakPolarHBondContact OD2-CE 3.37Å; D9-K152 IonicContact OD2-NZ 3.75Å; D9-K152 PolarHBondContact OD2-NZ 3.36Å; N148-K152 WeakPolarHBondContact O-CG 3.39Å; N148-K152 PolarHBondContact O-N 3.03Å; W149-K152 PolarHBondContact O-N 3.27Å; K152-F154 PolarHBondContact O-N 3.46Å; K152-Q155 PolarHBondContact O-N 3.34Å; K152-I156 WeakPolarHBondContact O-CD1 3.49Å; K152-I156 VanDerWaalsContact O-CG1 3.24Å; K152-I156 WeakPolarHBondContact O-CG1 3.28Å; K152-I156 PolarHBondContact O-N 3.47Å
153M90.4Very high88.8Confident99 Ų9950 Ų5049%0.48828%0.279SS..Hα-helixtrans-60.9-44.9175.2-82.5-65.2-173.800113.3Y123 I130 W149 E150 T151 Q155 I156 G157Y123-M153 WeakPolarHBondContact OH-CG 3.5Å; I130-M153 HydrophobicContact CG2-CB 4.34Å; W149-M153 PolarHBondContact O-N 3.27Å; E150-M153 PolarHBondContact O-N 3Å; T151-M153 VanDerWaalsContact C-N 3.31Å; T151-M153 PolarHBondContact O-N 3.44Å; M153-Q155 VanDerWaalsContact C-N 3.34Å; M153-Q155 PolarHBondContact O-N 2.72Å; M153-I156 PolarHBondContact O-N 2.97Å; M153-G157 PolarHBondContact O-N 3.15Å
154F91.6Very high89.4Confident11 Ų1154 Ų545%0.04830%0.299CS..Hα-helixtrans-58.1-46.4175.4169.8-102000111.5I130 A134 K142 L146 E150 T151 K152 G157 R158I130-F154 HydrophobicContact CG2-CB 3.93Å; A134-F154 HydrophobicContact CB-CD2 4.35Å; K142-F154 HydrophobicContact CB-CE1 4.36Å; L146-F154 HydrophobicContact CD1-CB 4.02Å; L146-F154 HydrophobicContact CD1-CG 4.35Å; E150-F154 WeakPolarHBondContact O-CB 3.43Å; E150-F154 PolarHBondContact O-N 3.28Å; T151-F154 PolarHBondContact O-N 2.89Å; K152-F154 PolarHBondContact O-N 3.46Å; F154-G157 PolarHBondContact O-N 3.19Å; F154-R158 VanDerWaalsContact O-CB 3.28Å; F154-R158 WeakPolarHBondContact O-CB 3.35Å; F154-R158 PolarHBondContact O-N 3.38Å
155Q91.3Very high89.8Confident115 Ų11550.2 Ų50.254%0.53727%0.273SS..Hα-helixtrans-63.5-43.6179.4-73.7172.9-8.700112T151 K152 M153 R158 S159T151-Q155 HydrophobicContact CG2-CG 4.48Å; T151-Q155 WeakPolarHBondContact O-CB 3.3Å; T151-Q155 VanDerWaalsContact O-CG 3.3Å; T151-Q155 WeakPolarHBondContact O-CG 3.4Å; T151-Q155 PolarHBondContact O-N 2.97Å; K152-Q155 PolarHBondContact O-N 3.34Å; M153-Q155 VanDerWaalsContact C-N 3.34Å; M153-Q155 PolarHBondContact O-N 2.72Å; Q155-R158 PolarHBondContact O-N 2.9Å; Q155-S159 WeakPolarHBondContact O-CB 3.39Å; Q155-S159 PolarHBondContact O-N 3.31Å; Q155-S159 PolarHBondContact O-OG 3.34Å; Q155-S159 VanDerWaalsContact O-OG 3.08Å
156I92.5Very high90Very high112 Ų11252.8 Ų52.857%0.57429%0.288SS*.Hα-helixtrans-62.9-46.9176.3-67.4163.8000110.5K152 M153 R158 S159 G160K152-I156 WeakPolarHBondContact O-CD1 3.49Å; K152-I156 VanDerWaalsContact O-CG1 3.24Å; K152-I156 WeakPolarHBondContact O-CG1 3.28Å; K152-I156 PolarHBondContact O-N 3.47Å; M153-I156 PolarHBondContact O-N 2.97Å; I156-R158 VanDerWaalsContact C-N 3.34Å; I156-R158 PolarHBondContact O-N 3.37Å; I156-S159 PolarHBondContact O-OG 3.15Å; I156-G160 PolarHBondContact O-N 3.31Å
157G91.4Very high90.2Very high31 Ų3157 Ų5732%0.3231%0.314SS..Hα-helixtrans-61-43.6177.400000112.1M153 F154 H161M153-G157 PolarHBondContact O-N 3.15Å; F154-G157 PolarHBondContact O-N 3.19Å; G157-H161 WeakPolarHBondContact O-CB 3.47Å; G157-H161 PolarHBondContact O-N 3.13Å
158R90.2Very high90Very high32 Ų3260.2 Ų60.212%0.12134%0.336CS..Hα-helixtrans-67.9-45.5-179-176.761.7173.2-169.7-3.5111.8A134 N136 D137 F154 Q155 I156 G160 H161 L162A134-R158 HydrophobicContact CB-CB 4.46Å; A134-R158 WeakPolarHBondContact O-CD 3.3Å; A134-R158 PolarHBondContact O-NH1 2.76Å; N136-R158 PolarHBondContact O-NH1 3Å; D137-R158 PolarHBondContact O-NH2 3.3Å; F154-R158 VanDerWaalsContact O-CB 3.28Å; F154-R158 WeakPolarHBondContact O-CB 3.35Å; F154-R158 PolarHBondContact O-N 3.38Å; Q155-R158 PolarHBondContact O-N 2.9Å; I156-R158 VanDerWaalsContact C-N 3.34Å; I156-R158 PolarHBondContact O-N 3.37Å; R158-G160 VanDerWaalsContact C-N 3.34Å; R158-H161 PolarHBondContact O-N 2.98Å; R158-L162 HydrophobicContact CG-CD1 4.1Å; R158-L162 HydrophobicContact CG-CG 4.48Å; R158-L162 WeakPolarHBondContact O-CB 3.47Å; R158-L162 WeakPolarHBondContact O-CG 3.29Å; R158-L162 PolarHBondContact O-N 2.89Å
159S91.1Very high89.5Confident71 Ų7165.2 Ų65.250%0.49736%0.356SS..Hα-helixtrans-63.4-41.9178.4640000111.3Q155 I156 L162 A163Q155-S159 WeakPolarHBondContact O-CB 3.39Å; Q155-S159 PolarHBondContact O-N 3.31Å; Q155-S159 PolarHBondContact O-OG 3.34Å; Q155-S159 VanDerWaalsContact O-OG 3.08Å; I156-S159 PolarHBondContact O-OG 3.15Å; S159-L162 PolarHBondContact O-N 3.36Å; S159-A163 VanDerWaalsContact O-CB 3.3Å; S159-A163 WeakPolarHBondContact O-CB 3.44Å; S159-A163 PolarHBondContact O-N 3.12Å
160G91.4Very high88.2Confident33 Ų3371.3 Ų71.334%0.3438%0.379SS..Hα-helixtrans-61-45.4173.900000112.7I156 R158 A163 L164I156-G160 PolarHBondContact O-N 3.31Å; R158-G160 VanDerWaalsContact C-N 3.34Å; G160-A163 PolarHBondContact O-N 3.29Å; G160-L164 WeakPolarHBondContact O-CG 3.43Å; G160-L164 PolarHBondContact O-N 2.99Å
161H89.6Confident86.7Confident23 Ų2379.2 Ų79.211%0.10642%0.416CS..Hα-helixtrans-61.6-48.8176.9178.450.7000112.4Y135 G157 R158 A163 L164 L165Y135-H161 HydrophobicContact CD1-CB 4.33Å; Y135-H161 AromaticContact CD1-CE1 3.67Å; Y135-H161 AromaticContact CD1-CG 3.73Å; Y135-H161 AromaticContact CD1-ND1 3.36Å; Y135-H161 WeakPolarHBondContact CD1-ND1 3.33Å; Y135-H161 HydrophobicContact CE1-CB 4.36Å; Y135-H161 AromaticContact CE1-ND1 3.56Å; Y135-H161 PolarHBondContact O-NE2 3.42Å; G157-H161 WeakPolarHBondContact O-CB 3.47Å; G157-H161 PolarHBondContact O-N 3.13Å; R158-H161 PolarHBondContact O-N 2.98Å; H161-A163 VanDerWaalsContact C-N 3.31Å; H161-A163 PolarHBondContact O-N 3.44Å; H161-L164 WeakPolarHBondContact O-CB 3.18Å; H161-L164 PolarHBondContact O-N 3.31Å; H161-L165 WeakPolarHBondContact O-CG 3.48Å; H161-L165 PolarHBondContact O-N 2.97Å
162L89Confident84.8Confident67 Ų6789.7 Ų89.735%0.35146%0.461SS..Hα-helixtrans-62.7-37.8177.9-69174.8000112.2R158 S159 L165 N166R158-L162 HydrophobicContact CG-CD1 4.1Å; R158-L162 HydrophobicContact CG-CG 4.48Å; R158-L162 WeakPolarHBondContact O-CB 3.47Å; R158-L162 WeakPolarHBondContact O-CG 3.29Å; R158-L162 PolarHBondContact O-N 2.89Å; S159-L162 PolarHBondContact O-N 3.36Å; L162-L165 PolarHBondContact O-N 3.38Å; L162-N166 WeakPolarHBondContact O-CB 3.41Å; L162-N166 VanDerWaalsContact O-CG 3.3Å; L162-N166 PolarHBondContact O-N 3.03Å; L162-N166 PolarHBondContact O-ND2 3Å; L162-N166 VanDerWaalsContact O-ND2 3.09Å
163A91Very high84.5Confident51 Ų5189.8 Ų89.842%0.42147%0.465SS..Hα-helixtrans-63.2-41.5175.900000111.9S159 G160 H161 N166 T167S159-A163 VanDerWaalsContact O-CB 3.3Å; S159-A163 WeakPolarHBondContact O-CB 3.44Å; S159-A163 PolarHBondContact O-N 3.12Å; G160-A163 PolarHBondContact O-N 3.29Å; H161-A163 VanDerWaalsContact C-N 3.31Å; H161-A163 PolarHBondContact O-N 3.44Å; A163-N166 PolarHBondContact O-N 3.41Å; A163-T167 WeakPolarHBondContact O-CB 3.18Å; A163-T167 PolarHBondContact O-N 3.39Å; A163-T167 PolarHBondContact O-OG1 2.89Å
164L89Confident84.2Confident103 Ų10389.3 Ų89.354%0.53946%0.464SS..Hα-helixtrans-62.8-48.8174.9-75169.2000111.5G160 H161 N166 T167 C168G160-L164 WeakPolarHBondContact O-CG 3.43Å; G160-L164 PolarHBondContact O-N 2.99Å; H161-L164 WeakPolarHBondContact O-CB 3.18Å; H161-L164 PolarHBondContact O-N 3.31Å; L164-N166 VanDerWaalsContact C-N 3.34Å; L164-N166 PolarHBondContact O-N 3.47Å; L164-T167 PolarHBondContact O-N 3.21Å; L164-C168 WeakPolarHBondContact O-CB 3.43Å; L164-C168 PolarHBondContact O-N 2.98Å; L164-C168 PolarHBondContact O-SG 3.17Å; L164-C168 VanDerWaalsContact O-SG 3.39Å
165L88Confident83.8Confident48 Ų4893.7 Ų93.725%0.25149%0.487SS..Hα-helixtrans-56.3-49.4176.5-67.7179000111H161 L162 T167 C168 F169H161-L165 WeakPolarHBondContact O-CG 3.48Å; H161-L165 PolarHBondContact O-N 2.97Å; L162-L165 PolarHBondContact O-N 3.38Å; L165-T167 VanDerWaalsContact C-N 3.28Å; L165-T167 PolarHBondContact O-N 2.71Å; L165-C168 PolarHBondContact O-N 2.92Å; L165-F169 HydrophobicContact CB-CD2 4.26Å; L165-F169 HydrophobicContact CD2-CD2 4.02Å; L165-F169 HydrophobicContact CD2-CE2 3.57Å; L165-F169 WeakPolarHBondContact O-CB 3.36Å; L165-F169 VanDerWaalsContact O-CD2 3.24Å; L165-F169 WeakPolarHBondContact O-CD2 3.44Å; L165-F169 PolarHBondContact O-N 2.9Å
166N87.9Confident83.4Confident96 Ų9692.4 Ų92.451%0.51348%0.484SS..Hα-helixtrans-62.5-34.6179.5-75.2-37.2000113.1L162 A163 L164 R170L162-N166 WeakPolarHBondContact O-CB 3.41Å; L162-N166 VanDerWaalsContact O-CG 3.3Å; L162-N166 PolarHBondContact O-N 3.03Å; L162-N166 PolarHBondContact O-ND2 3Å; L162-N166 VanDerWaalsContact O-ND2 3.09Å; A163-N166 PolarHBondContact O-N 3.41Å; L164-N166 VanDerWaalsContact C-N 3.34Å; L164-N166 PolarHBondContact O-N 3.47Å; N166-R170 WeakPolarHBondContact O-CB 3.32Å; N166-R170 WeakPolarHBondContact O-CD 3.24Å; N166-R170 WeakPolarHBondContact O-CG 3.49Å; N166-R170 PolarHBondContact O-N 2.9Å
167T90.5Very high82.8Confident88 Ų8891.2 Ų91.254%0.5448%0.478SS..Hα-helixtrans-76.3-44.4-179.5-52.10000111.3A163 L164 L165A163-T167 WeakPolarHBondContact O-CB 3.18Å; A163-T167 PolarHBondContact O-N 3.39Å; A163-T167 PolarHBondContact O-OG1 2.89Å; L164-T167 PolarHBondContact O-N 3.21Å; L165-T167 VanDerWaalsContact C-N 3.28Å; L165-T167 PolarHBondContact O-N 2.71Å
168C86.5Confident82.3Confident67 Ų6795.2 Ų95.245%0.45349%0.489SS..Hα-helixtrans-71.7-41.7-179.2-66.20000112.3L164 L165 F172L164-C168 WeakPolarHBondContact O-CB 3.43Å; L164-C168 PolarHBondContact O-N 2.98Å; L164-C168 PolarHBondContact O-SG 3.17Å; L164-C168 VanDerWaalsContact O-SG 3.39Å; L165-C168 PolarHBondContact O-N 2.92Å; C168-F172 WeakPolarHBondContact O-CD2 3.39Å
169F77.4Confident81.7Confident140 Ų14099.7 Ų99.761%0.61452%0.515SS*.Hα-helixtrans-89-8.3-175-67.8-72.3000114.5L165 Q171L165-F169 HydrophobicContact CB-CD2 4.26Å; L165-F169 HydrophobicContact CD2-CD2 4.02Å; L165-F169 HydrophobicContact CD2-CE2 3.57Å; L165-F169 WeakPolarHBondContact O-CB 3.36Å; L165-F169 VanDerWaalsContact O-CD2 3.24Å; L165-F169 WeakPolarHBondContact O-CD2 3.44Å; L165-F169 PolarHBondContact O-N 2.9Å; F169-Q171 VanDerWaalsContact C-N 3.27Å
170R63.6Low81Confident213 Ų213101.9 Ų101.980%0.80452%0.517SS*.THydrogen-bonded Turntrans-77.7-11.3167.1-85.3-177.6173.6-171.9-1.2113.7N166N166-R170 WeakPolarHBondContact O-CB 3.32Å; N166-R170 WeakPolarHBondContact O-CD 3.24Å; N166-R170 WeakPolarHBondContact O-CG 3.49Å; N166-R170 PolarHBondContact O-N 2.9Å
171Q59.4Low80.1Confident166 Ų166107.7 Ų107.778%0.77653%0.531SS*.THydrogen-bonded Turntrans-95.30.5179.9-67.2-172.6-15.100113.4F169F169-Q171 VanDerWaalsContact C-N 3.27Å
172F49.3Very low79.2Confident230 Ų230115.4 Ų115.4100%1.00957%0.57SS**  trans-115.20171.4-68.1-80.6000109.5C168C168-F172 WeakPolarHBondContact O-CD2 3.39Å

Retrieved 172 of 172 residues in 61.2 ms (Link to these results)

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