A0A077ZF00_TRITR Loading...

G protein-coupled receptor kinase

AlphaFold DB , UniProt , Accession A0A077ZF00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 696 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
1M53.6Low69.9Low192 Ų19290.2 Ų90.295%0.94651%0.51SS*.  0-52.70-81.7-164.8-79.100110.4D3 L4 E5M1-D3 PolarHBondContact O-N 3.09Å; M1-L4 PolarHBondContact O-N 3.35Å; M1-L4 VanDerWaalsContact O-N 3.11Å; M1-E5 PolarHBondContact O-N 3.46Å
2A58Low70.8Confident65 Ų6587.5 Ų87.554%0.53750%0.501SS..Hα-helixtrans-52.7-44.7176.700000114.5L4 E5 A6A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 2.98Å; A2-E5 PolarHBondContact O-N 2.99Å; A2-A6 PolarHBondContact O-N 2.89Å
3D60.3Low71.5Confident131 Ų13180.9 Ų80.970%0.70146%0.463SS*.Hα-helixtrans-62.3-38.5178.3-59.3-23.6000112.9M1 A6 V7M1-D3 PolarHBondContact O-N 3.09Å; D3-A6 PolarHBondContact O-N 2.84Å; D3-V7 WeakPolarHBondContact O-CB 3.38Å; D3-V7 VanDerWaalsContact O-CG2 3.25Å; D3-V7 WeakPolarHBondContact O-CG2 3.02Å; D3-V7 PolarHBondContact O-N 3.29Å
4L70.8Confident72Confident117 Ų11777.7 Ų77.761%0.61344%0.444SS*.Hα-helixtrans-69.4-38.9178-171.869.9000110.8M1 A2 L8M1-L4 PolarHBondContact O-N 3.35Å; M1-L4 VanDerWaalsContact O-N 3.11Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 2.98Å; L4-L8 HydrophobicContact CG-CD1 4.09Å; L4-L8 HydrophobicContact CG-CG 4.47Å; L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 WeakPolarHBondContact O-CG 3.21Å; L4-L8 PolarHBondContact O-N 3Å
5E71.5Confident72.4Confident131 Ų13179.1 Ų79.161%0.61245%0.446SS*.Hα-helixtrans-64.3-42.8175.4-71.4174.2173.400111.8M1 A2 L8 A9M1-E5 PolarHBondContact O-N 3.46Å; A2-E5 PolarHBondContact O-N 2.99Å; E5-L8 PolarHBondContact O-N 3.41Å; E5-A9 WeakPolarHBondContact O-CB 3.2Å; E5-A9 PolarHBondContact O-N 3.09Å
6A69.2Low72.6Confident36 Ų3674.6 Ų74.630%0.29842%0.422SS..Hα-helixtrans-61.9-49.4175.500000111.4A2 D3 L8 A9 D10A2-A6 PolarHBondContact O-N 2.89Å; D3-A6 PolarHBondContact O-N 2.84Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 2.71Å; A6-A9 WeakPolarHBondContact O-CB 3.32Å; A6-A9 PolarHBondContact O-N 2.7Å; A6-A9 VanDerWaalsContact O-N 3.15Å; A6-D10 VanDerWaalsContact O-CG 3.3Å; A6-D10 PolarHBondContact O-N 3.46Å
7V73.1Confident72.8Confident85 Ų8571.4 Ų71.452%0.51540%0.403SS..Hα-helixtrans-60.9-42177172.40000111.6D3 A9 D10 V11D3-V7 WeakPolarHBondContact O-CB 3.38Å; D3-V7 VanDerWaalsContact O-CG2 3.25Å; D3-V7 WeakPolarHBondContact O-CG2 3.02Å; D3-V7 PolarHBondContact O-N 3.29Å; V7-A9 VanDerWaalsContact C-N 3.33Å; V7-A9 PolarHBondContact O-N 2.75Å; V7-D10 PolarHBondContact O-N 3.12Å; V7-V11 HydrophobicContact CG1-CG2 4.4Å; V7-V11 VanDerWaalsContact O-CG2 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.13Å; V7-V11 PolarHBondContact O-N 3.47Å
8L78.1Confident72.8Confident104 Ų10474.9 Ų74.955%0.54542%0.416SS..Hα-helixtrans-64.9-37.4176.3-74.1171.3000112.1L4 E5 A6 D10 S12L4-L8 HydrophobicContact CG-CD1 4.09Å; L4-L8 HydrophobicContact CG-CG 4.47Å; L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 WeakPolarHBondContact O-CG 3.21Å; L4-L8 PolarHBondContact O-N 3Å; E5-L8 PolarHBondContact O-N 3.41Å; A6-L8 VanDerWaalsContact C-N 3.34Å; A6-L8 PolarHBondContact O-N 2.71Å; L8-D10 VanDerWaalsContact C-N 3.33Å; L8-S12 WeakPolarHBondContact O-CB 3.33Å; L8-S12 PolarHBondContact O-N 3.25Å
9A75.9Confident72.3Confident34 Ų3475.7 Ų75.728%0.28142%0.415SS..Hα-helixtrans-64.2-40.2175.600000111.4E5 A6 V7 Y13 R189E5-A9 WeakPolarHBondContact O-CB 3.2Å; E5-A9 PolarHBondContact O-N 3.09Å; A6-A9 WeakPolarHBondContact O-CB 3.32Å; A6-A9 PolarHBondContact O-N 2.7Å; A6-A9 VanDerWaalsContact O-N 3.15Å; V7-A9 VanDerWaalsContact C-N 3.33Å; V7-A9 PolarHBondContact O-N 2.75Å; A9-Y13 VanDerWaalsContact O-CB 3.26Å; A9-Y13 WeakPolarHBondContact O-CB 3.45Å; A9-Y13 PolarHBondContact O-N 3.12Å; A9-R189 HydrophobicContact CB-CB 4.05Å
10D78.6Confident72Confident34 Ų3473 Ų7318%0.18240%0.401CS..Hα-helixtrans-66.4-49.3177.6-70.28000111.7A6 V7 L8 S12 Y13 L14 R189 V472A6-D10 VanDerWaalsContact O-CG 3.3Å; A6-D10 PolarHBondContact O-N 3.46Å; V7-D10 PolarHBondContact O-N 3.12Å; L8-D10 VanDerWaalsContact C-N 3.33Å; D10-S12 VanDerWaalsContact C-N 3.33Å; D10-S12 PolarHBondContact O-N 2.73Å; D10-Y13 PolarHBondContact O-N 2.73Å; D10-L14 WeakPolarHBondContact O-CB 3.16Å; D10-L14 VanDerWaalsContact O-CG 3.3Å; D10-L14 WeakPolarHBondContact O-CG 3.44Å; D10-L14 PolarHBondContact O-N 2.96Å; D10-R189 VanDerWaalsContact OD1-CD 3.23Å; D10-R189 WeakPolarHBondContact OD1-CD 3.33Å; D10-R189 IonicContact OD1-CZ 2.86Å; D10-R189 IonicContact OD1-NE 2.58Å; D10-R189 IonicContact OD1-NH1 3.44Å; D10-R189 PolarHBondContact OD1-NH1 3.03Å; D10-R189 IonicContact OD2-NH1 3.09Å; D10-R189 PolarHBondContact OD2-NH1 2.85Å; D10-V472 HydrophobicContact CB-CG2 4.11Å
11V79.8Confident71.7Confident63 Ų6374.5 Ų74.538%0.38240%0.404SS..Hα-helixtrans-60.5-45.11771730000110.6V7 Y13 L14 M15V7-V11 HydrophobicContact CG1-CG2 4.4Å; V7-V11 VanDerWaalsContact O-CG2 3.28Å; V7-V11 WeakPolarHBondContact O-CG2 3.13Å; V7-V11 PolarHBondContact O-N 3.47Å; V11-Y13 VanDerWaalsContact C-N 3.33Å; V11-Y13 PolarHBondContact O-N 3.03Å; V11-L14 PolarHBondContact O-N 2.83Å; V11-M15 HydrophobicContact CG1-CE 3.67Å; V11-M15 HydrophobicContact CG1-CG 4.36Å; V11-M15 HydrophobicContact CG1-SD 4.17Å; V11-M15 VanDerWaalsContact O-CB 3.31Å; V11-M15 WeakPolarHBondContact O-CB 3.16Å; V11-M15 VanDerWaalsContact O-CG 3.24Å; V11-M15 WeakPolarHBondContact O-CG 3.37Å; V11-M15 PolarHBondContact O-N 2.85Å
12S80.3Confident72.3Confident58 Ų5871 Ų7141%0.40639%0.393SS..Hα-helixtrans-59.4-44.3176.3177.60000111.8L8 D10 A16L8-S12 WeakPolarHBondContact O-CB 3.33Å; L8-S12 PolarHBondContact O-N 3.25Å; D10-S12 VanDerWaalsContact C-N 3.33Å; D10-S12 PolarHBondContact O-N 2.73Å; S12-A16 WeakPolarHBondContact O-CB 3.4Å; S12-A16 PolarHBondContact O-N 3.37Å
13Y79.9Confident72.8Confident2 Ų273.8 Ų73.81%0.00840%0.395CS..Hα-helixtrans-64.4-50.3177.9176.3-112.8000112A9 D10 V11 M15 A16 M17 H188 R189 I191 M210 V472A9-Y13 VanDerWaalsContact O-CB 3.26Å; A9-Y13 WeakPolarHBondContact O-CB 3.45Å; A9-Y13 PolarHBondContact O-N 3.12Å; D10-Y13 PolarHBondContact O-N 2.73Å; V11-Y13 VanDerWaalsContact C-N 3.33Å; V11-Y13 PolarHBondContact O-N 3.03Å; Y13-M15 PolarHBondContact O-N 3.44Å; Y13-A16 WeakPolarHBondContact O-CA 3.44Å; Y13-A16 WeakPolarHBondContact O-CB 3.43Å; Y13-A16 PolarHBondContact O-N 2.87Å; Y13-A16 VanDerWaalsContact O-N 3.09Å; Y13-M17 HydrophobicContact CD1-SD 4.28Å; Y13-M17 HydrophobicContact CD2-CG 4.48Å; Y13-M17 HydrophobicContact CE1-CG 4.31Å; Y13-M17 HydrophobicContact CE1-SD 3.54Å; Y13-M17 VanDerWaalsContact CE1-SD 3.54Å; Y13-M17 HydrophobicContact CE2-CG 4.16Å; Y13-M17 HydrophobicContact CE2-SD 4.13Å; Y13-M17 WeakPolarHBondContact O-CG 3.05Å; Y13-M17 PolarHBondContact O-N 3.17Å; Y13-M17 PolarHBondContact OH-SD 3.3Å; Y13-H188 HydrophobicContact CD2-CB 3.88Å; Y13-R189 HydrophobicContact CD1-CG 4.03Å; Y13-R189 HydrophobicContact CD2-CG 4.24Å; Y13-R189 HydrophobicContact CG-CG 3.77Å; Y13-I191 HydrophobicContact CE1-CG2 4.34Å; Y13-I191 HydrophobicContact CE2-CG2 4.38Å; Y13-M210 HydrophobicContact CE2-CE 4.46Å; Y13-V472 HydrophobicContact CD1-CG1 4.46Å; Y13-V472 HydrophobicContact CD1-CG2 4.09Å; Y13-V472 HydrophobicContact CE1-CG1 4.25Å
14L79Confident73.2Confident36 Ų3669 Ų6919%0.18837%0.371CS..Hα-helixtrans-61.1-43.8178.7-69.9168.6000111.9D10 V11 A16 M17 E18 G470 V472D10-L14 WeakPolarHBondContact O-CB 3.16Å; D10-L14 VanDerWaalsContact O-CG 3.3Å; D10-L14 WeakPolarHBondContact O-CG 3.44Å; D10-L14 PolarHBondContact O-N 2.96Å; V11-L14 PolarHBondContact O-N 2.83Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 2.97Å; L14-M17 WeakPolarHBondContact O-CB 3.42Å; L14-M17 PolarHBondContact O-N 3.23Å; L14-M17 VanDerWaalsContact O-N 3.14Å; L14-E18 PolarHBondContact O-N 2.86Å; L14-G470 WeakPolarHBondContact CD1-O 3.47Å; L14-V472 HydrophobicContact CD1-CG2 4.37Å; L14-V472 HydrophobicContact CD2-CG2 4.32Å; L14-V472 HydrophobicContact CG-CG2 4.22Å
15M77.9Confident73Confident98 Ų9864.9 Ų64.948%0.48335%0.354SS..Hα-helixtrans-61.2-37.7174.3-75.7-171.4-179.900112.2V11 Y13 K19V11-M15 HydrophobicContact CG1-CE 3.67Å; V11-M15 HydrophobicContact CG1-CG 4.36Å; V11-M15 HydrophobicContact CG1-SD 4.17Å; V11-M15 VanDerWaalsContact O-CB 3.31Å; V11-M15 WeakPolarHBondContact O-CB 3.16Å; V11-M15 VanDerWaalsContact O-CG 3.24Å; V11-M15 WeakPolarHBondContact O-CG 3.37Å; V11-M15 PolarHBondContact O-N 2.85Å; Y13-M15 PolarHBondContact O-N 3.44Å; M15-K19 WeakPolarHBondContact O-CB 3.25Å; M15-K19 WeakPolarHBondContact O-CD 2.99Å; M15-K19 VanDerWaalsContact O-CG 3.29Å; M15-K19 WeakPolarHBondContact O-CG 3.44Å; M15-K19 PolarHBondContact O-N 3.28Å
16A76Confident73Confident7 Ų761.9 Ų61.96%0.05835%0.348CS..Hα-helixtrans-65.2-42.2175.200000111.1S12 Y13 L14 S20 H188 R203 M210S12-A16 WeakPolarHBondContact O-CB 3.4Å; S12-A16 PolarHBondContact O-N 3.37Å; Y13-A16 WeakPolarHBondContact O-CA 3.44Å; Y13-A16 WeakPolarHBondContact O-CB 3.43Å; Y13-A16 PolarHBondContact O-N 2.87Å; Y13-A16 VanDerWaalsContact O-N 3.09Å; L14-A16 VanDerWaalsContact C-N 3.28Å; L14-A16 PolarHBondContact O-N 2.97Å; A16-S20 PolarHBondContact O-N 2.88Å; A16-H188 VanDerWaalsContact CB-CE1 3.47Å; A16-H188 WeakPolarHBondContact CB-CE1 3.39Å; A16-R203 VanDerWaalsContact C-NH2 3.26Å; A16-R203 VanDerWaalsContact CB-NH2 3.35Å; A16-R203 PolarHBondContact O-NH2 3.38Å; A16-M210 HydrophobicContact CB-CE 4.04Å; A16-M210 HydrophobicContact CB-SD 4.25Å
17M75.2Confident73.2Confident20 Ų2065.2 Ų65.210%0.09935%0.353CS..Hα-helixtrans-61.3-53.2177.7-66.7-158.567.900112.2Y13 L14 K19 S20 M210 L268 N270Y13-M17 HydrophobicContact CD1-SD 4.28Å; Y13-M17 HydrophobicContact CD2-CG 4.48Å; Y13-M17 HydrophobicContact CE1-CG 4.31Å; Y13-M17 HydrophobicContact CE1-SD 3.54Å; Y13-M17 VanDerWaalsContact CE1-SD 3.54Å; Y13-M17 HydrophobicContact CE2-CG 4.16Å; Y13-M17 HydrophobicContact CE2-SD 4.13Å; Y13-M17 WeakPolarHBondContact O-CG 3.05Å; Y13-M17 PolarHBondContact O-N 3.17Å; Y13-M17 PolarHBondContact OH-SD 3.3Å; L14-M17 WeakPolarHBondContact O-CB 3.42Å; L14-M17 PolarHBondContact O-N 3.23Å; L14-M17 VanDerWaalsContact O-N 3.14Å; M17-K19 VanDerWaalsContact C-N 3.32Å; M17-K19 PolarHBondContact O-N 2.97Å; M17-S20 PolarHBondContact O-N 2.79Å; M17-S20 VanDerWaalsContact O-N 3.13Å; M17-M210 HydrophobicContact CG-CE 4.35Å; M17-L268 HydrophobicContact CE-CD2 3.96Å; M17-N270 HydrophobicContact CE-CB 3.7Å; M17-N270 WeakPolarHBondContact CE-ND2 3.38Å; M17-N270 HydrophobicContact SD-CB 3.87Å; M17-N270 PolarHBondContact SD-ND2 3.37Å; M17-N270 VanDerWaalsContact SD-ND2 3.43Å
18E73Confident73.3Confident136 Ų13662.9 Ų62.964%0.63634%0.342SS*.Hα-helixtrans-57.8-43.9-178.7-73.5-172.315800112.4L14 S20 K21L14-E18 PolarHBondContact O-N 2.86Å; E18-S20 VanDerWaalsContact C-N 3.27Å; E18-S20 PolarHBondContact O-N 3.45Å; E18-K21 PolarHBondContact O-N 3.14Å
19K63.2Low73.5Confident90 Ų9062.5 Ų62.539%0.39135%0.348SS..Hα-helixtrans-69.3-23.1-178.7-73.4170.5177.9172.90113.6M15 M17 K21M15-K19 WeakPolarHBondContact O-CB 3.25Å; M15-K19 WeakPolarHBondContact O-CD 2.99Å; M15-K19 VanDerWaalsContact O-CG 3.29Å; M15-K19 WeakPolarHBondContact O-CG 3.44Å; M15-K19 PolarHBondContact O-N 3.28Å; M17-K19 VanDerWaalsContact C-N 3.32Å; M17-K19 PolarHBondContact O-N 2.97Å; K19-K21 VanDerWaalsContact C-N 3.33Å
20S66.4Low74.1Confident21 Ų2164.8 Ų64.815%0.14735%0.352CS..Hα-helixtrans-77-19.5-179.6-164.80000113.5A16 M17 E18 P24 M210A16-S20 PolarHBondContact O-N 2.88Å; M17-S20 PolarHBondContact O-N 2.79Å; M17-S20 VanDerWaalsContact O-N 3.13Å; E18-S20 VanDerWaalsContact C-N 3.27Å; E18-S20 PolarHBondContact O-N 3.45Å; S20-P24 WeakPolarHBondContact O-CD 3.2Å; S20-M210 VanDerWaalsContact CB-CG 3.43Å; S20-M210 VanDerWaalsContact OG-CG 3.31Å; S20-M210 WeakPolarHBondContact OG-CG 3.39Å
21K66.9Low74.6Confident105 Ų10569.2 Ų69.246%0.45737%0.369SS..Hα-helixtrans-73.3-36.4-171.9-63.2-174.7-173.9-165.50113.5E18 K19 E322E18-K21 PolarHBondContact O-N 3.14Å; K19-K21 VanDerWaalsContact C-N 3.33Å; K21-E322 VanDerWaalsContact CE-CD 3.48Å; K21-E322 WeakPolarHBondContact CE-OE1 3.12Å; K21-E322 WeakPolarHBondContact CE-OE2 3.08Å; K21-E322 IonicContact NZ-OE1 2.68Å; K21-E322 PolarHBondContact NZ-OE1 2.96Å; K21-E322 IonicContact NZ-OE2 2.7Å; K21-E322 PolarHBondContact NZ-OE2 3.15Å
22T65.4Low75.2Confident118 Ų11867.3 Ų67.372%0.72436%0.357SS*.Hα-helixtrans-94.6-39.1-170.152.50000112.4
23Q69.1Low75.9Confident124 Ų12470.8 Ų70.858%0.57937%0.37SS*.  trans-152.374.2-175.9-63.5-176.419.600111.3A25 S26Q23-A25 VanDerWaalsContact C-N 3.26Å; Q23-A25 PolarHBondContact O-N 3.49Å; Q23-S26 WeakPolarHBondContact O-CB 2.82Å; Q23-S26 PolarHBondContact O-N 2.86Å; Q23-S26 VanDerWaalsContact O-N 3.13Å; Q23-S26 PolarHBondContact O-OG 2.86Å
24P67.2Low76.6Confident29 Ų2971.7 Ų71.719%0.18837%0.374CS..G310 helixtrans-54.1-42.7179.319.9-31.5000112.4S20 S26 R27 T207 G208 T519S20-P24 WeakPolarHBondContact O-CD 3.2Å; P24-S26 VanDerWaalsContact C-N 3.25Å; P24-S26 PolarHBondContact O-N 2.87Å; P24-R27 WeakPolarHBondContact O-CA 3.29Å; P24-R27 WeakPolarHBondContact O-CB 3.44Å; P24-R27 PolarHBondContact O-N 2.82Å; P24-T207 CarbonylContact C-O 3.51Å; P24-G208 WeakPolarHBondContact O-CA 3.39Å; P24-T519 HydrophobicContact CB-CG2 3.94Å; P24-T519 HydrophobicContact CG-CG2 3.78Å
25A67.2Low77.3Confident32 Ų3270.9 Ų70.926%0.26437%0.371SS..G310 helixtrans-57-34.1179.400000114Q23 R27 A28 T519 V520Q23-A25 VanDerWaalsContact C-N 3.26Å; Q23-A25 PolarHBondContact O-N 3.49Å; A25-R27 PolarHBondContact O-N 3.47Å; A25-R27 VanDerWaalsContact O-N 3.08Å; A25-A28 WeakPolarHBondContact O-CB 3.33Å; A25-A28 PolarHBondContact O-N 3.09Å; A25-A28 VanDerWaalsContact O-N 3.15Å; A25-T519 WeakPolarHBondContact CB-O 3.45Å; A25-V520 HydrophobicContact CB-CG1 4.01Å
26S72.6Confident77.9Confident67 Ų6768.4 Ų68.447%0.46936%0.36SS..G310 helixtrans-64.9-12.617775.40000113.5Q23 P24Q23-S26 WeakPolarHBondContact O-CB 2.82Å; Q23-S26 PolarHBondContact O-N 2.86Å; Q23-S26 VanDerWaalsContact O-N 3.13Å; Q23-S26 PolarHBondContact O-OG 2.86Å; P24-S26 VanDerWaalsContact C-N 3.25Å; P24-S26 PolarHBondContact O-N 2.87Å
27R71.7Confident78.8Confident107 Ų10769.9 Ų69.940%0.40437%0.369SS..G310 helixtrans-106.95.1-179.4-57.2-59-178.7-172.3-6113.3P24 A25 S29P24-R27 WeakPolarHBondContact O-CA 3.29Å; P24-R27 WeakPolarHBondContact O-CB 3.44Å; P24-R27 PolarHBondContact O-N 2.82Å; A25-R27 PolarHBondContact O-N 3.47Å; A25-R27 VanDerWaalsContact O-N 3.08Å; R27-S29 PolarHBondContact O-N 2.83Å
28A75Confident79.5Confident35 Ų3569.5 Ų69.529%0.28937%0.368SS..  trans-61.5109.316800000109.3A25 A205 D206A25-A28 WeakPolarHBondContact O-CB 3.33Å; A25-A28 PolarHBondContact O-N 3.09Å; A25-A28 VanDerWaalsContact O-N 3.15Å; A28-A205 CarbonylContact C-O 3.55Å; A28-A205 VanDerWaalsContact CA-O 3.32Å; A28-A205 WeakPolarHBondContact CA-O 3.18Å; A28-D206 VanDerWaalsContact CB-O 3.26Å; A28-D206 WeakPolarHBondContact CB-O 3.4Å
29S82.2Confident80.5Confident97 Ų9763.3 Ų63.368%0.67834%0.34SS*.SBendtrans-83.4-19.2174.560.60000113.3R27 A205R27-S29 PolarHBondContact O-N 2.83Å; S29-A205 PolarHBondContact N-O 2.97Å; S29-A205 WeakPolarHBondContact OG-CB 3.31Å; S29-A205 PolarHBondContact OG-O 2.81Å
30K88.6Confident82.1Confident81 Ų8162.5 Ų62.535%0.35233%0.334SS..SBendtrans-114.6143.4172.7-73.8-179.1172.4173.60108.5N183 D184 A205 D206K30-N183 WeakPolarHBondContact CE-O 3.42Å; K30-N183 PolarHBondContact NZ-O 2.89Å; K30-D184 IonicContact NZ-OD1 3.12Å; K30-D184 PolarHBondContact NZ-OD1 3.16Å; K30-A205 HydrophobicContact CB-CB 4.32Å; K30-A205 HydrophobicContact CD-CB 3.89Å; K30-A205 HydrophobicContact CG-CB 4.04Å; K30-A205 PolarHBondContact N-O 3.27Å; K30-D206 HydrophobicContact CB-CB 4.24Å; K30-D206 WeakPolarHBondContact O-CA 3.38Å
31K89Confident83.4Confident128 Ų12862.2 Ų62.256%0.55733%0.332SS*.  trans-96131178.6-177.7171.4179156.70110.2I33 E527K31-I33 HydrophobicContact CG-CG1 4.46Å; K31-E527 WeakPolarHBondContact CE-OE2 3.1Å; K31-E527 IonicContact NZ-OE1 3.69Å; K31-E527 PolarHBondContact NZ-OE1 3.29Å; K31-E527 IonicContact NZ-OE2 3.89Å; K31-E527 PolarHBondContact NZ-OE2 3.19Å
32I94.3Very high84.7Confident22 Ų2257.4 Ų57.411%0.11331%0.312CS..  trans-74.1127.3167-59-174.9000108.4L34 W171 L174 D206 T207 I516 V520 V524I32-L34 HydrophobicContact CG2-CD2 4.4Å; I32-W171 HydrophobicContact CG2-CH2 4.43Å; I32-W171 HydrophobicContact CG2-CZ3 4.23Å; I32-L174 HydrophobicContact CG2-CD1 3.66Å; I32-D206 HydrophobicContact CD1-CB 4.35Å; I32-D206 HydrophobicContact CG1-CB 3.87Å; I32-T207 HydrophobicContact CD1-CG2 4.48Å; I32-I516 HydrophobicContact CD1-CD1 3.73Å; I32-V520 HydrophobicContact CD1-CG2 3.81Å; I32-V524 HydrophobicContact CB-CG2 4.13Å; I32-V524 HydrophobicContact CG2-CG1 4.32Å
33I93.4Very high86.2Confident132 Ų13251.8 Ų51.868%0.67728%0.277SS*.  trans-115.7118.2174.7-58.8175.7000106.9K31K31-I33 HydrophobicContact CG-CG1 4.46Å
34L95.5Very high87.4Confident21 Ų2148.4 Ų48.411%0.1126%0.261CS..PPolyproline II helixtrans-68.8142.4175.6-61.9-171.3000110.3I32 Q170 W171 L174 V524 A528I32-L34 HydrophobicContact CG2-CD2 4.4Å; L34-Q170 HydrophobicContact CB-CB 4.26Å; L34-Q170 HydrophobicContact CD1-CB 4.39Å; L34-W171 HydrophobicContact CD1-CZ2 4.41Å; L34-W171 HydrophobicContact CD2-CD2 3.81Å; L34-W171 HydrophobicContact CD2-CE3 3.9Å; L34-W171 HydrophobicContact CD2-CG 4.43Å; L34-W171 HydrophobicContact CD2-CH2 4.07Å; L34-W171 HydrophobicContact CD2-CZ2 3.97Å; L34-W171 HydrophobicContact CD2-CZ3 4.02Å; L34-L174 HydrophobicContact CD2-CD1 3.44Å; L34-L174 VanDerWaalsContact CD2-CD1 3.44Å; L34-V524 HydrophobicContact CD1-CG1 4.14Å; L34-V524 HydrophobicContact CD2-CG1 3.93Å; L34-V524 HydrophobicContact CG-CG1 3.75Å; L34-A528 HydrophobicContact CD1-CB 3.83Å; L34-A528 HydrophobicContact CG-CB 4.38Å
35P93.3Very high88.7Confident18 Ų1848.9 Ų48.912%0.11726%0.26CS..PPolyproline II helixtrans-60.8159.4173.326.4-35.3000111.1V39 Q170 N173P35-V39 HydrophobicContact CB-CB 4.24Å; P35-V39 HydrophobicContact CB-CG1 4.3Å; P35-V39 HydrophobicContact CB-CG2 4.26Å; P35-V39 HydrophobicContact CG-CB 4.4Å; P35-V39 HydrophobicContact CG-CG1 4Å; P35-V39 HydrophobicContact CG-CG2 4.31Å; P35-Q170 HydrophobicContact CG-CB 3.99Å; P35-Q170 HydrophobicContact CG-CG 4.2Å; P35-Q170 WeakPolarHBondContact O-CG 3.33Å; P35-Q170 PolarHBondContact O-NE2 2.81Å; P35-N173 HydrophobicContact CG-CB 4.19Å
36D91.9Very high90.1Very high46 Ų4650 Ų5025%0.24626%0.258CS..PPolyproline II helixtrans-58.3145.4178.1-178.9-89000112S38 V39 K535 Y557D36-S38 PolarHBondContact O-N 3.02Å; D36-S38 VanDerWaalsContact OD1-CB 3.25Å; D36-S38 WeakPolarHBondContact OD1-CB 3.39Å; D36-S38 PolarHBondContact OD1-N 3.29Å; D36-S38 PolarHBondContact OD1-OG 3.23Å; D36-V39 VanDerWaalsContact O-CB 3.28Å; D36-V39 WeakPolarHBondContact O-CB 3.3Å; D36-V39 VanDerWaalsContact O-CG1 3.26Å; D36-V39 WeakPolarHBondContact O-CG1 3.48Å; D36-V39 PolarHBondContact O-N 2.98Å; D36-K535 IonicContact OD2-NZ 2.64Å; D36-K535 PolarHBondContact OD2-NZ 2.84Å; D36-Y557 HydrophobicContact CB-CD2 4.16Å; D36-Y557 HydrophobicContact CB-CE2 3.89Å
37P93.3Very high91.2Very high39 Ų3946.9 Ų46.925%0.25324%0.236SC..THydrogen-bonded Turntrans-50.3-29.1-179.7-32.537.6000115.4V39 R40 T166 E532P37-V39 PolarHBondContact O-N 2.84Å; P37-R40 WeakPolarHBondContact O-CB 3.31Å; P37-R40 PolarHBondContact O-N 2.74Å; P37-T166 HydrophobicContact CB-CG2 3.81Å; P37-E532 HydrophobicContact CG-CG 3.86Å
38S90.9Very high92.3Very high11 Ų1146.9 Ų46.98%0.07724%0.241CC..THydrogen-bonded Turntrans-57.8-18.4175.658.50000114.3D36 R40 S41 Y557 Y573D36-S38 PolarHBondContact O-N 3.02Å; D36-S38 VanDerWaalsContact OD1-CB 3.25Å; D36-S38 WeakPolarHBondContact OD1-CB 3.39Å; D36-S38 PolarHBondContact OD1-N 3.29Å; D36-S38 PolarHBondContact OD1-OG 3.23Å; S38-R40 PolarHBondContact O-N 2.83Å; S38-R40 VanDerWaalsContact O-N 3.1Å; S38-S41 WeakPolarHBondContact O-CB 3.39Å; S38-S41 PolarHBondContact O-N 3.4Å; S38-S41 VanDerWaalsContact O-N 3.09Å; S38-Y557 WeakPolarHBondContact OG-CD2 3.38Å; S38-Y573 WeakPolarHBondContact CB-OH 3.32Å
39V94.1Very high93.2Very high7 Ų750.9 Ų50.94%0.04225%0.252CS..Hα-helixtrans-56.2-25.1173.278.60000112.6P35 D36 P37 S41 V42 M43 Q170 N173P35-V39 HydrophobicContact CB-CB 4.24Å; P35-V39 HydrophobicContact CB-CG1 4.3Å; P35-V39 HydrophobicContact CB-CG2 4.26Å; P35-V39 HydrophobicContact CG-CB 4.4Å; P35-V39 HydrophobicContact CG-CG1 4Å; P35-V39 HydrophobicContact CG-CG2 4.31Å; D36-V39 VanDerWaalsContact O-CB 3.28Å; D36-V39 WeakPolarHBondContact O-CB 3.3Å; D36-V39 VanDerWaalsContact O-CG1 3.26Å; D36-V39 WeakPolarHBondContact O-CG1 3.48Å; D36-V39 PolarHBondContact O-N 2.98Å; P37-V39 PolarHBondContact O-N 2.84Å; V39-S41 PolarHBondContact O-N 3.28Å; V39-V42 PolarHBondContact O-N 3.43Å; V39-M43 HydrophobicContact CG2-CG 3.81Å; V39-M43 WeakPolarHBondContact O-CB 3.21Å; V39-M43 WeakPolarHBondContact O-CG 3.4Å; V39-M43 PolarHBondContact O-N 2.81Å; V39-Q170 HydrophobicContact CG1-CB 4.42Å; V39-Q170 HydrophobicContact CG1-CG 3.74Å; V39-N173 HydrophobicContact CG2-CB 3.88Å
40R95.6Very high93.8Very high72 Ų7248.9 Ų48.927%0.27224%0.235SC..Hα-helixtrans-53-40.4174.1170.2175.3171.2-179.3-2.2112.3P37 S38 V42 M43 H44 L160 E161 S162 T166 C169P37-R40 WeakPolarHBondContact O-CB 3.31Å; P37-R40 PolarHBondContact O-N 2.74Å; S38-R40 PolarHBondContact O-N 2.83Å; S38-R40 VanDerWaalsContact O-N 3.1Å; R40-V42 VanDerWaalsContact C-N 3.3Å; R40-V42 PolarHBondContact O-N 2.81Å; R40-M43 PolarHBondContact O-N 2.96Å; R40-H44 WeakPolarHBondContact O-CB 3.24Å; R40-H44 PolarHBondContact O-N 3.45Å; R40-L160 PolarHBondContact NH2-O 3.39Å; R40-E161 PolarHBondContact NH1-O 3.23Å; R40-E161 PolarHBondContact NH2-O 3.45Å; R40-S162 PolarHBondContact NH1-O 3.43Å; R40-T166 HydrophobicContact CB-CG2 4.06Å; R40-T166 WeakPolarHBondContact CD-OG1 3.45Å; R40-T166 PolarHBondContact NH1-OG1 3.17Å; R40-C169 HydrophobicContact CB-CB 4.32Å
41S93.9Very high94.2Very high16 Ų1650.3 Ų50.311%0.11225%0.247CC..Hα-helixtrans-58.7-43.3-177.7-165.40000112.3S38 V39 K45 H555S38-S41 WeakPolarHBondContact O-CB 3.39Å; S38-S41 PolarHBondContact O-N 3.4Å; S38-S41 VanDerWaalsContact O-N 3.09Å; V39-S41 PolarHBondContact O-N 3.28Å; S41-K45 VanDerWaalsContact O-CD 3.29Å; S41-K45 WeakPolarHBondContact O-CD 3.47Å; S41-K45 WeakPolarHBondContact O-CE 3.43Å; S41-K45 WeakPolarHBondContact O-CG 3.48Å; S41-H555 WeakPolarHBondContact CB-NE2 3.32Å; S41-H555 VanDerWaalsContact CB-O 3.25Å; S41-H555 WeakPolarHBondContact CB-O 3.35Å; S41-H555 PolarHBondContact OG-CD2 2.89Å; S41-H555 PolarHBondContact OG-N 3.46Å; S41-H555 PolarHBondContact OG-NE2 3.46Å
42V94.8Very high94.4Very high4 Ų446.7 Ų46.72%0.02423%0.232CC..Hα-helixtrans-74.8-51.1177.7175.70000110.5V39 R40 H44 K45 Y46 I554 E641V39-V42 PolarHBondContact O-N 3.43Å; R40-V42 VanDerWaalsContact C-N 3.3Å; R40-V42 PolarHBondContact O-N 2.81Å; V42-H44 PolarHBondContact O-N 3.45Å; V42-K45 PolarHBondContact O-N 3.31Å; V42-Y46 PolarHBondContact O-N 2.82Å; V42-Y46 VanDerWaalsContact O-N 3.08Å; V42-I554 HydrophobicContact CG2-CD1 3.99Å; V42-I554 HydrophobicContact CG2-CG1 4.21Å; V42-E641 HydrophobicContact CG1-CB 3.99Å; V42-E641 HydrophobicContact CG1-CG 3.91Å
43M96.4Very high94.4Very high0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-68.1-37.3-172.1-72.5-56.7-52.300113V39 R40 K45 Y46 L47 C169 K172 N173 L176 I637V39-M43 HydrophobicContact CG2-CG 3.81Å; V39-M43 WeakPolarHBondContact O-CB 3.21Å; V39-M43 WeakPolarHBondContact O-CG 3.4Å; V39-M43 PolarHBondContact O-N 2.81Å; R40-M43 PolarHBondContact O-N 2.96Å; M43-K45 VanDerWaalsContact C-N 3.32Å; M43-K45 PolarHBondContact O-N 2.9Å; M43-Y46 HydrophobicContact CE-CD1 4.08Å; M43-Y46 PolarHBondContact O-N 3.25Å; M43-L47 WeakPolarHBondContact O-CB 3.28Å; M43-L47 WeakPolarHBondContact O-CG 3.42Å; M43-L47 PolarHBondContact O-N 2.82Å; M43-C169 HydrophobicContact CB-CB 3.88Å; M43-C169 HydrophobicContact CG-CB 4.49Å; M43-K172 HydrophobicContact CE-CB 4.4Å; M43-K172 HydrophobicContact CE-CG 4.32Å; M43-N173 HydrophobicContact CE-CB 4.41Å; M43-N173 HydrophobicContact CG-CB 3.89Å; M43-N173 HydrophobicContact SD-CB 3.79Å; M43-N173 PolarHBondContact SD-ND2 3.46Å; M43-N173 VanDerWaalsContact SD-ND2 3.42Å; M43-L176 HydrophobicContact CE-CD1 3.92Å; M43-I637 HydrophobicContact SD-CG2 4.04Å
44H95.4Very high94.4Very high52 Ų5241.9 Ų41.924%0.24121%0.212CC..Hα-helixtrans-58.8-46.9176.7-178.659.2000110.7R40 V42 Y46 L47 E48 Y165R40-H44 WeakPolarHBondContact O-CB 3.24Å; R40-H44 PolarHBondContact O-N 3.45Å; V42-H44 PolarHBondContact O-N 3.45Å; H44-Y46 PolarHBondContact O-N 3.31Å; H44-L47 PolarHBondContact O-N 2.92Å; H44-E48 IonicContact CD2-OE2 2.73Å; H44-E48 IonicContact CE1-OE1 2.75Å; H44-E48 IonicContact NE2-OE1 2.61Å; H44-E48 PolarHBondContact NE2-OE1 2.81Å; H44-E48 IonicContact NE2-OE2 3.79Å; H44-E48 WeakPolarHBondContact O-CG 3.22Å; H44-E48 PolarHBondContact O-N 3.43Å; H44-Y165 HydrophobicContact CB-CE1 4.26Å; H44-Y165 AromaticContact ND1-CE1 3.44Å; H44-Y165 WeakPolarHBondContact ND1-CE1 3.45Å; H44-Y165 AromaticContact ND1-CZ 3.5Å; H44-Y165 PolarHBondContact ND1-OH 2.95Å
45K93.9Very high94.3Very high39 Ų3941.2 Ų41.217%0.1721%0.208CC..Hα-helixtrans-62.8-42.5177.5-68.1169.6-172.9-64.60112.8S41 V42 M43 K49 I553 I554 Y645S41-K45 VanDerWaalsContact O-CD 3.29Å; S41-K45 WeakPolarHBondContact O-CD 3.47Å; S41-K45 WeakPolarHBondContact O-CE 3.43Å; S41-K45 WeakPolarHBondContact O-CG 3.48Å; V42-K45 PolarHBondContact O-N 3.31Å; M43-K45 VanDerWaalsContact C-N 3.32Å; M43-K45 PolarHBondContact O-N 2.9Å; K45-K49 VanDerWaalsContact O-CB 3.28Å; K45-K49 WeakPolarHBondContact O-CB 3.44Å; K45-K49 PolarHBondContact O-N 3.18Å; K45-I553 WeakPolarHBondContact CE-O 3.47Å; K45-I553 PolarHBondContact NZ-O 3.12Å; K45-I554 HydrophobicContact CD-CB 4.3Å; K45-I554 HydrophobicContact CD-CD1 4.05Å; K45-I554 HydrophobicContact CD-CG1 4.17Å; K45-Y645 HydrophobicContact CB-CE2 3.93Å; K45-Y645 HydrophobicContact CD-CD2 4.16Å; K45-Y645 HydrophobicContact CD-CE1 4.26Å; K45-Y645 HydrophobicContact CD-CE2 3.51Å; K45-Y645 HydrophobicContact CG-CE2 4.16Å
46Y96.4Very high94.1Very high55 Ų5544 Ų4422%0.21622%0.22CC..Hα-helixtrans-58.5-50.2174173.8-93.6000110.8V42 M43 H44 E48 K49 T50 L176 I637V42-Y46 PolarHBondContact O-N 2.82Å; V42-Y46 VanDerWaalsContact O-N 3.08Å; M43-Y46 HydrophobicContact CE-CD1 4.08Å; M43-Y46 PolarHBondContact O-N 3.25Å; H44-Y46 PolarHBondContact O-N 3.31Å; Y46-E48 PolarHBondContact O-N 2.97Å; Y46-K49 PolarHBondContact O-N 2.75Å; Y46-T50 HydrophobicContact CD2-CG2 4.49Å; Y46-T50 HydrophobicContact CE1-CG2 4.18Å; Y46-T50 HydrophobicContact CE2-CG2 4.07Å; Y46-T50 WeakPolarHBondContact O-CG2 3.45Å; Y46-T50 PolarHBondContact O-N 2.87Å; Y46-T50 PolarHBondContact O-OG1 2.91Å; Y46-L176 HydrophobicContact CD1-CD1 4.19Å; Y46-L176 HydrophobicContact CE1-CD1 3.5Å; Y46-I637 HydrophobicContact CD1-CG2 4.37Å; Y46-I637 HydrophobicContact CD2-CG1 4.42Å; Y46-I637 HydrophobicContact CD2-CG2 3.58Å; Y46-I637 HydrophobicContact CE1-CD1 4.29Å; Y46-I637 HydrophobicContact CE2-CD1 4.29Å; Y46-I637 HydrophobicContact CE2-CG1 4.15Å; Y46-I637 HydrophobicContact CE2-CG2 4.17Å; Y46-I637 HydrophobicContact CG-CG2 3.69Å
47L96.5Very high94.2Very high2 Ų246.1 Ų46.11%0.0123%0.226CC..Hα-helixtrans-67.1-35.7-178.2-66.9171.9000112.8M43 H44 T50 N51 E52 A53 F168 K172M43-L47 WeakPolarHBondContact O-CB 3.28Å; M43-L47 WeakPolarHBondContact O-CG 3.42Å; M43-L47 PolarHBondContact O-N 2.82Å; H44-L47 PolarHBondContact O-N 2.92Å; L47-T50 PolarHBondContact O-OG1 2.89Å; L47-N51 PolarHBondContact O-N 2.9Å; L47-N51 VanDerWaalsContact O-N 3.13Å; L47-E52 HydrophobicContact CB-CB 4.4Å; L47-E52 HydrophobicContact CD2-CB 3.76Å; L47-E52 PolarHBondContact O-N 2.95Å; L47-A53 HydrophobicContact CB-CB 3.94Å; L47-A53 PolarHBondContact O-N 2.94Å; L47-F168 HydrophobicContact CD1-CE1 4Å; L47-K172 HydrophobicContact CD2-CG 4.08Å
48E94.5Very high94.2Very high108 Ų10844.2 Ų44.251%0.50521%0.214SC..Hα-helixtrans-63.5-48.5171.6-76.1-173.3133.900111H44 Y46 T50 N51 A53H44-E48 IonicContact CD2-OE2 2.73Å; H44-E48 IonicContact CE1-OE1 2.75Å; H44-E48 IonicContact NE2-OE1 2.61Å; H44-E48 PolarHBondContact NE2-OE1 2.81Å; H44-E48 IonicContact NE2-OE2 3.79Å; H44-E48 WeakPolarHBondContact O-CG 3.22Å; H44-E48 PolarHBondContact O-N 3.43Å; Y46-E48 PolarHBondContact O-N 2.97Å; E48-T50 VanDerWaalsContact C-N 3.26Å; E48-T50 PolarHBondContact O-N 2.8Å; E48-N51 PolarHBondContact O-N 3.34Å; E48-A53 HydrophobicContact CG-CB 4.02Å
49K94.5Very high94.2Very high118 Ų11844.9 Ų44.951%0.51322%0.216SC..Hα-helixtrans-60.2-35.9179.2-178.217666.7-166.70112.4K45 Y46 N51 E641K45-K49 VanDerWaalsContact O-CB 3.28Å; K45-K49 WeakPolarHBondContact O-CB 3.44Å; K45-K49 PolarHBondContact O-N 3.18Å; Y46-K49 PolarHBondContact O-N 2.75Å; K49-N51 VanDerWaalsContact C-N 3.33Å; K49-E641 IonicContact NZ-OE1 3.93Å; K49-E641 PolarHBondContact NZ-OE1 2.82Å; K49-E641 IonicContact NZ-OE2 2.88Å; K49-E641 PolarHBondContact NZ-OE2 2.69Å
50T94.8Very high93.8Very high55 Ų5547.6 Ų47.634%0.33725%0.245SC..THydrogen-bonded Turntrans-88.64.4176.962.60000113.7Y46 L47 E48 E52Y46-T50 HydrophobicContact CD2-CG2 4.49Å; Y46-T50 HydrophobicContact CE1-CG2 4.18Å; Y46-T50 HydrophobicContact CE2-CG2 4.07Å; Y46-T50 WeakPolarHBondContact O-CG2 3.45Å; Y46-T50 PolarHBondContact O-N 2.87Å; Y46-T50 PolarHBondContact O-OG1 2.91Å; L47-T50 PolarHBondContact O-OG1 2.89Å; E48-T50 VanDerWaalsContact C-N 3.26Å; E48-T50 PolarHBondContact O-N 2.8Å; T50-E52 PolarHBondContact O-N 2.88Å; T50-E52 WeakPolarHBondContact OG1-CG 3.42Å
51N95.2Very high93.7Very high112 Ų11245.3 Ų45.360%0.59924%0.237SC*.THydrogen-bonded Turntrans56.635.2-176.9-165.744.2000114L47 E48 K49L47-N51 PolarHBondContact O-N 2.9Å; L47-N51 VanDerWaalsContact O-N 3.13Å; E48-N51 PolarHBondContact O-N 3.34Å; K49-N51 VanDerWaalsContact C-N 3.33Å
52E95Very high93.7Very high51 Ų5147.5 Ų47.524%0.23825%0.245CC..  trans-103.6-11.1178-68.4-61.9149.900112.7L47 T50 T54 K57L47-E52 HydrophobicContact CB-CB 4.4Å; L47-E52 HydrophobicContact CD2-CB 3.76Å; L47-E52 PolarHBondContact O-N 2.95Å; T50-E52 PolarHBondContact O-N 2.88Å; T50-E52 WeakPolarHBondContact OG1-CG 3.42Å; E52-T54 PolarHBondContact O-N 2.84Å; E52-T54 VanDerWaalsContact O-N 3.11Å; E52-K57 IonicContact OE1-NZ 3.31Å; E52-K57 PolarHBondContact OE1-NZ 2.54Å; E52-K57 WeakPolarHBondContact OE2-CD 3.48Å; E52-K57 IonicContact OE2-NZ 3.8Å
53A93.8Very high93.7Very high16 Ų1647.4 Ų47.413%0.13224%0.244CC..  trans-82.538.2175.700000113.5L47 E48L47-A53 HydrophobicContact CB-CB 3.94Å; L47-A53 PolarHBondContact O-N 2.94Å; E48-A53 HydrophobicContact CG-CB 4.02Å
54T93.9Very high93.7Very high38 Ų3847.4 Ų47.423%0.23324%0.244CC..SBendtrans-112.2153.9-18062.70000111.4E52 Q56 K57 I58E52-T54 PolarHBondContact O-N 2.84Å; E52-T54 VanDerWaalsContact O-N 3.11Å; T54-Q56 VanDerWaalsContact C-N 3.29Å; T54-Q56 PolarHBondContact O-N 2.86Å; T54-K57 PolarHBondContact O-N 3.05Å; T54-K57 VanDerWaalsContact O-N 3.16Å; T54-K57 WeakPolarHBondContact OG1-CB 3.18Å; T54-K57 WeakPolarHBondContact OG1-CG 2.96Å; T54-I58 WeakPolarHBondContact O-CG1 3.29Å; T54-I58 PolarHBondContact O-N 3.22Å
55F91.7Very high93.5Very high6 Ų646.6 Ų46.63%0.02624%0.24CC..Hα-helixtrans-54.3-45.9179.5177.5-113.3000111.9K57 I58 F59 I68 Y148 L151 K152 F156F55-K57 VanDerWaalsContact C-N 3.32Å; F55-K57 PolarHBondContact O-N 3Å; F55-I58 PolarHBondContact O-N 2.88Å; F55-F59 HydrophobicContact CD2-CB 4.25Å; F55-F59 HydrophobicContact CE2-CB 3.99Å; F55-F59 AromaticContact CE2-CD2 3.82Å; F55-F59 HydrophobicContact CE2-CD2 3.82Å; F55-F59 HydrophobicContact CE2-CG 4.08Å; F55-F59 HydrophobicContact CZ-CB 4.18Å; F55-F59 AromaticContact CZ-CD2 3.88Å; F55-F59 HydrophobicContact CZ-CD2 3.88Å; F55-F59 HydrophobicContact CZ-CE2 4.38Å; F55-F59 AromaticContact CZ-CG 3.97Å; F55-F59 HydrophobicContact CZ-CG 3.97Å; F55-F59 WeakPolarHBondContact O-CB 3.21Å; F55-F59 PolarHBondContact O-N 2.88Å; F55-I68 HydrophobicContact CE2-CD1 4.46Å; F55-Y148 HydrophobicContact CD1-CD1 4.17Å; F55-Y148 AromaticContact CD1-CE1 3.61Å; F55-Y148 HydrophobicContact CD1-CE1 3.61Å; F55-Y148 HydrophobicContact CD1-CE2 4.04Å; F55-Y148 AromaticContact CD1-CZ 3.53Å; F55-Y148 AromaticContact CE1-CD1 3.63Å; F55-Y148 HydrophobicContact CE1-CD1 3.63Å; F55-Y148 AromaticContact CE1-CD2 3.51Å; F55-Y148 HydrophobicContact CE1-CD2 3.51Å; F55-Y148 AromaticContact CE1-CE1 3.44Å; F55-Y148 HydrophobicContact CE1-CE1 3.44Å; F55-Y148 VanDerWaalsContact CE1-CE1 3.44Å; F55-Y148 AromaticContact CE1-CE2 3.32Å; F55-Y148 HydrophobicContact CE1-CE2 3.32Å; F55-Y148 AromaticContact CE1-CG 3.65Å; F55-Y148 HydrophobicContact CE1-CG 3.65Å; F55-Y148 AromaticContact CE1-CZ 3.27Å; F55-Y148 WeakPolarHBondContact CE1-O 3.32Å; F55-Y148 HydrophobicContact CZ-CD2 4.03Å; F55-Y148 AromaticContact CZ-CE2 3.99Å; F55-Y148 HydrophobicContact CZ-CE2 3.99Å; F55-Y148 HydrophobicContact CZ-CG 4.41Å; F55-L151 HydrophobicContact CE1-CB 4.36Å; F55-L151 HydrophobicContact CE2-CB 3.77Å; F55-L151 HydrophobicContact CZ-CB 3.5Å; F55-L151 HydrophobicContact CZ-CD1 4.21Å; F55-K152 HydrophobicContact CB-CG 4.2Å; F55-K152 HydrophobicContact CD1-CB 3.63Å; F55-K152 HydrophobicContact CD1-CG 3.96Å; F55-K152 HydrophobicContact CE1-CB 3.99Å; F55-K152 HydrophobicContact CG-CB 4.12Å; F55-K152 HydrophobicContact CG-CG 4.32Å; F55-F156 HydrophobicContact CB-CD1 3.98Å; F55-F156 HydrophobicContact CB-CD2 4.04Å; F55-F156 HydrophobicContact CB-CE1 4.09Å; F55-F156 HydrophobicContact CB-CE2 4.14Å; F55-F156 HydrophobicContact CB-CG 3.94Å; F55-F156 HydrophobicContact CB-CZ 4.17Å; F55-F156 HydrophobicContact CD2-CB 4.23Å; F55-F156 AromaticContact CD2-CD2 3.62Å; F55-F156 HydrophobicContact CD2-CD2 3.62Å; F55-F156 HydrophobicContact CD2-CE2 4.17Å; F55-F156 HydrophobicContact CD2-CG 4Å; F55-F156 HydrophobicContact CG-CD2 4.31Å; F55-F156 HydrophobicContact CG-CG 4.4Å; F55-F156 VanDerWaalsContact N-CZ 3.29Å
56Q90.1Very high93.4Very high78 Ų7846.8 Ų46.836%0.36424%0.243SC..Hα-helixtrans-56.7-44.8179.5-68.26527.200112.4T54 G60 Y148T54-Q56 VanDerWaalsContact C-N 3.29Å; T54-Q56 PolarHBondContact O-N 2.86Å; Q56-G60 PolarHBondContact O-N 2.78Å; Q56-Y148 VanDerWaalsContact CA-OH 3.24Å; Q56-Y148 WeakPolarHBondContact CA-OH 3.39Å; Q56-Y148 HydrophobicContact CG-CE1 4.46Å; Q56-Y148 WeakPolarHBondContact CG-OH 3.47Å
57K92.7Very high93.3Very high89 Ų8944.3 Ų44.339%0.38723%0.233SC..Hα-helixtrans-74.9-41.2-176-68.3-66.1-162.6129.60112.4E52 T54 F55 Q61E52-K57 IonicContact OE1-NZ 3.31Å; E52-K57 PolarHBondContact OE1-NZ 2.54Å; E52-K57 WeakPolarHBondContact OE2-CD 3.48Å; E52-K57 IonicContact OE2-NZ 3.8Å; T54-K57 PolarHBondContact O-N 3.05Å; T54-K57 VanDerWaalsContact O-N 3.16Å; T54-K57 WeakPolarHBondContact OG1-CB 3.18Å; T54-K57 WeakPolarHBondContact OG1-CG 2.96Å; F55-K57 VanDerWaalsContact C-N 3.32Å; F55-K57 PolarHBondContact O-N 3Å; K57-Q61 WeakPolarHBondContact O-CG 3.42Å; K57-Q61 PolarHBondContact O-N 2.79Å; K57-Q61 PolarHBondContact O-NE2 2.94Å
58I94.3Very high93Very high0 Ų044.5 Ų44.50%023%0.234CC..Hα-helixtrans-73.8-46.3179.6-60-177.7000110.3T54 F55 G60 Q61 G64 I68 F156 F159 L160 Y165 F168T54-I58 WeakPolarHBondContact O-CG1 3.29Å; T54-I58 PolarHBondContact O-N 3.22Å; F55-I58 PolarHBondContact O-N 2.88Å; I58-G60 VanDerWaalsContact C-N 3.27Å; I58-G60 PolarHBondContact O-N 3.29Å; I58-Q61 WeakPolarHBondContact O-CB 3.38Å; I58-Q61 PolarHBondContact O-N 3.17Å; I58-Q61 VanDerWaalsContact O-N 3.11Å; I58-G64 CarbonylContact O-C 3.54Å; I58-G64 WeakPolarHBondContact O-CA 3.01Å; I58-I68 HydrophobicContact CB-CD1 4.41Å; I58-I68 HydrophobicContact CG2-CD1 3.8Å; I58-F156 HydrophobicContact CD1-CE2 4.1Å; I58-F156 HydrophobicContact CD1-CZ 3.95Å; I58-F159 HydrophobicContact CD1-CE1 4.39Å; I58-F159 HydrophobicContact CG2-CE1 4.16Å; I58-F159 HydrophobicContact CG2-CZ 4.39Å; I58-L160 HydrophobicContact CD1-CD2 4.45Å; I58-Y165 HydrophobicContact CD1-CD2 4.28Å; I58-Y165 HydrophobicContact CD1-CE2 3.8Å; I58-F168 HydrophobicContact CB-CZ 4.41Å; I58-F168 HydrophobicContact CD1-CD1 4.27Å; I58-F168 HydrophobicContact CD1-CE1 3.92Å; I58-F168 HydrophobicContact CD1-CZ 4.47Å; I58-F168 HydrophobicContact CG1-CE1 3.9Å; I58-F168 HydrophobicContact CG1-CZ 3.96Å; I58-F168 HydrophobicContact CG2-CD1 4.49Å; I58-F168 HydrophobicContact CG2-CD2 4.2Å; I58-F168 HydrophobicContact CG2-CE1 4.28Å; I58-F168 HydrophobicContact CG2-CE2 3.98Å; I58-F168 HydrophobicContact CG2-CG 4.45Å; I58-F168 HydrophobicContact CG2-CZ 4.02Å
59F90Very high92.7Very high25 Ų2541.6 Ų41.611%0.1122%0.22CC..Hα-helixtrans-68.2-27.4179.6-169.8-92.5000113F55 Q61 F65 I68 K84 Y148 L151F55-F59 HydrophobicContact CD2-CB 4.25Å; F55-F59 HydrophobicContact CE2-CB 3.99Å; F55-F59 AromaticContact CE2-CD2 3.82Å; F55-F59 HydrophobicContact CE2-CD2 3.82Å; F55-F59 HydrophobicContact CE2-CG 4.08Å; F55-F59 HydrophobicContact CZ-CB 4.18Å; F55-F59 AromaticContact CZ-CD2 3.88Å; F55-F59 HydrophobicContact CZ-CD2 3.88Å; F55-F59 HydrophobicContact CZ-CE2 4.38Å; F55-F59 AromaticContact CZ-CG 3.97Å; F55-F59 HydrophobicContact CZ-CG 3.97Å; F55-F59 WeakPolarHBondContact O-CB 3.21Å; F55-F59 PolarHBondContact O-N 2.88Å; F59-Q61 VanDerWaalsContact C-N 3.27Å; F59-F65 HydrophobicContact CD2-CD2 4.18Å; F59-F65 HydrophobicContact CE1-CD2 4.32Å; F59-F65 AromaticContact CE2-CD2 3.66Å; F59-F65 HydrophobicContact CE2-CD2 3.66Å; F59-F65 HydrophobicContact CE2-CE2 4.04Å; F59-F65 AromaticContact CZ-CD2 3.74Å; F59-F65 HydrophobicContact CZ-CD2 3.74Å; F59-F65 AromaticContact CZ-CE2 3.9Å; F59-F65 HydrophobicContact CZ-CE2 3.9Å; F59-I68 HydrophobicContact CB-CD1 4.16Å; F59-I68 HydrophobicContact CD2-CD1 4.12Å; F59-I68 HydrophobicContact CD2-CG2 4.26Å; F59-K84 VanDerWaalsContact CE1-CE 3.48Å; F59-K84 VanDerWaalsContact CE1-NZ 3.26Å; F59-Y148 HydrophobicContact CD1-CD2 4.36Å; F59-Y148 AromaticContact CD1-CE2 3.76Å; F59-Y148 HydrophobicContact CD1-CE2 3.76Å; F59-Y148 HydrophobicContact CE1-CD2 4.27Å; F59-Y148 HydrophobicContact CE1-CE2 4.09Å; F59-Y148 HydrophobicContact CG-CE2 4.41Å; F59-L151 HydrophobicContact CE2-CD1 4.24Å
60G87.3Confident92.4Very high63 Ų6337.8 Ų37.865%0.64921%0.205SC*.THydrogen-bonded Turntrans-71.9-18.6172.900000113.9Q56 I58Q56-G60 PolarHBondContact O-N 2.78Å; I58-G60 VanDerWaalsContact C-N 3.27Å; I58-G60 PolarHBondContact O-N 3.29Å
61Q92.9Very high92.2Very high24 Ų2435.5 Ų35.511%0.11219%0.19CC..SBendtrans-87.3140.1176.6-78.417374.500110.8K57 I58 F59 L63 G64 F65K57-Q61 WeakPolarHBondContact O-CG 3.42Å; K57-Q61 PolarHBondContact O-N 2.79Å; K57-Q61 PolarHBondContact O-NE2 2.94Å; I58-Q61 WeakPolarHBondContact O-CB 3.38Å; I58-Q61 PolarHBondContact O-N 3.17Å; I58-Q61 VanDerWaalsContact O-N 3.11Å; F59-Q61 VanDerWaalsContact C-N 3.27Å; Q61-L63 PolarHBondContact O-N 2.96Å; Q61-G64 PolarHBondContact O-N 3.48Å; Q61-F65 WeakPolarHBondContact O-CB 3.37Å; Q61-F65 PolarHBondContact O-N 3.37Å
62K92.8Very high91.6Very high63 Ų6330.1 Ų30.127%0.27416%0.162SC..Hα-helixtrans-59.6-47.3-177.2173.864176.2-177.60112.2L66 Q513 A517K62-L66 WeakPolarHBondContact O-CG 3.36Å; K62-L66 PolarHBondContact O-N 3.33Å; K62-L66 VanDerWaalsContact O-N 3.15Å; K62-Q513 HydrophobicContact CB-CB 4.04Å; K62-A517 HydrophobicContact CD-CB 4.34Å; K62-A517 VanDerWaalsContact CE-CB 3.48Å; K62-A517 HydrophobicContact CG-CB 3.84Å
63L96.4Very high91Very high2 Ų231.7 Ų31.71%0.0117%0.169CC..Hα-helixtrans-71.9-35.7179.2-57.6-170.2000111.8Q61 L66 L67 W171 W512 Q513 I516 A517 F521Q61-L63 PolarHBondContact O-N 2.96Å; L63-L66 HydrophobicContact CD2-CD1 4.39Å; L63-L66 PolarHBondContact O-N 2.9Å; L63-L67 WeakPolarHBondContact O-CG 3.32Å; L63-L67 PolarHBondContact O-N 3.45Å; L63-W171 HydrophobicContact CD1-CB 4.11Å; L63-W171 HydrophobicContact CD1-CD2 4.13Å; L63-W171 HydrophobicContact CD1-CE3 4.24Å; L63-W171 HydrophobicContact CD1-CG 4.1Å; L63-W512 HydrophobicContact CD1-CH2 4.23Å; L63-W512 HydrophobicContact CD1-CZ3 3.81Å; L63-Q513 HydrophobicContact CD1-CB 4.46Å; L63-Q513 HydrophobicContact CD1-CG 4.08Å; L63-Q513 HydrophobicContact CD2-CB 4.44Å; L63-Q513 HydrophobicContact CG-CB 3.9Å; L63-Q513 HydrophobicContact CG-CG 3.84Å; L63-I516 HydrophobicContact CD1-CB 4.46Å; L63-I516 HydrophobicContact CD1-CG2 4.11Å; L63-I516 HydrophobicContact CD2-CB 4.43Å; L63-I516 HydrophobicContact CD2-CG2 4.16Å; L63-A517 HydrophobicContact CD2-CB 4.13Å; L63-F521 HydrophobicContact CB-CE2 4.27Å; L63-F521 HydrophobicContact CD1-CD2 4.46Å; L63-F521 HydrophobicContact CD1-CE2 4.44Å; L63-F521 HydrophobicContact CD2-CD2 3.64Å; L63-F521 HydrophobicContact CD2-CE2 3.81Å; L63-F521 HydrophobicContact CD2-CG 4.28Å; L63-F521 HydrophobicContact CG-CE2 4.37Å
64G95Very high90.4Very high0 Ų036.4 Ų36.40%019%0.192CC..Hα-helixtrans-63.7-44.5175.300000112.1I58 Q61 L66 L67 I68I58-G64 CarbonylContact O-C 3.54Å; I58-G64 WeakPolarHBondContact O-CA 3.01Å; Q61-G64 PolarHBondContact O-N 3.48Å; G64-L66 PolarHBondContact O-N 3.32Å; G64-L67 PolarHBondContact O-N 3.32Å; G64-I68 WeakPolarHBondContact O-CG1 3.3Å; G64-I68 PolarHBondContact O-N 2.96Å
65F91.5Very high89.4Confident34 Ų3438.8 Ų38.815%0.14921%0.206CC..Hα-helixtrans-57-47.5172.2170.3-103.6000112.4F59 Q61 L67 I68 K69 K84F59-F65 HydrophobicContact CD2-CD2 4.18Å; F59-F65 HydrophobicContact CE1-CD2 4.32Å; F59-F65 AromaticContact CE2-CD2 3.66Å; F59-F65 HydrophobicContact CE2-CD2 3.66Å; F59-F65 HydrophobicContact CE2-CE2 4.04Å; F59-F65 AromaticContact CZ-CD2 3.74Å; F59-F65 HydrophobicContact CZ-CD2 3.74Å; F59-F65 AromaticContact CZ-CE2 3.9Å; F59-F65 HydrophobicContact CZ-CE2 3.9Å; Q61-F65 WeakPolarHBondContact O-CB 3.37Å; Q61-F65 PolarHBondContact O-N 3.37Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.02Å; F65-I68 PolarHBondContact O-N 2.91Å; F65-K69 HydrophobicContact CE1-CD 4.42Å; F65-K69 HydrophobicContact CZ-CD 4.31Å; F65-K69 VanDerWaalsContact O-CB 3.27Å; F65-K69 WeakPolarHBondContact O-CB 3.44Å; F65-K69 PolarHBondContact O-N 2.87Å; F65-K84 HydrophobicContact CD2-CD 4.21Å; F65-K84 VanDerWaalsContact CD2-NZ 3.27Å; F65-K84 HydrophobicContact CE1-CD 4.49Å; F65-K84 HydrophobicContact CE2-CD 3.79Å; F65-K84 HydrophobicContact CZ-CD 3.94Å
66L92.5Very high88.3Confident44 Ų4440 Ų4023%0.2322%0.216CC..Hα-helixtrans-61.1-41.3179.6-71.7172.7000112K62 L63 G64 D70 A517 F521K62-L66 WeakPolarHBondContact O-CG 3.36Å; K62-L66 PolarHBondContact O-N 3.33Å; K62-L66 VanDerWaalsContact O-N 3.15Å; L63-L66 HydrophobicContact CD2-CD1 4.39Å; L63-L66 PolarHBondContact O-N 2.9Å; G64-L66 PolarHBondContact O-N 3.32Å; L66-D70 WeakPolarHBondContact O-CB 3.43Å; L66-D70 PolarHBondContact O-N 3.32Å; L66-A517 HydrophobicContact CD1-CB 3.94Å; L66-F521 HydrophobicContact CB-CE1 3.85Å; L66-F521 HydrophobicContact CB-CZ 4.05Å; L66-F521 HydrophobicContact CD1-CD1 3.92Å; L66-F521 HydrophobicContact CD1-CE1 3.83Å; L66-F521 HydrophobicContact CD1-CZ 4.34Å; L66-F521 HydrophobicContact CG-CE1 4.46Å
67L94.6Very high87.1Confident2 Ų243.7 Ų43.71%0.0124%0.238CC..Hα-helixtrans-72.9-36.6179.4-69.6167.9000113.2L63 G64 F65 F71 F159 K164 R167 F168 F521L63-L67 WeakPolarHBondContact O-CG 3.32Å; L63-L67 PolarHBondContact O-N 3.45Å; G64-L67 PolarHBondContact O-N 3.32Å; F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.02Å; L67-F71 WeakPolarHBondContact O-CB 3.39Å; L67-F71 PolarHBondContact O-N 3.36Å; L67-F159 HydrophobicContact CB-CE2 4.33Å; L67-K164 HydrophobicContact CD2-CD 4.47Å; L67-R167 HydrophobicContact CD1-CB 4.45Å; L67-R167 HydrophobicContact CD1-CG 4.31Å; L67-R167 HydrophobicContact CD2-CB 4.14Å; L67-R167 HydrophobicContact CD2-CG 3.79Å; L67-F168 VanDerWaalsContact CD1-CA 3.46Å; L67-F168 HydrophobicContact CD1-CB 3.62Å; L67-F168 HydrophobicContact CD1-CD2 4.28Å; L67-F168 HydrophobicContact CD1-CG 4.47Å; L67-F521 HydrophobicContact CD2-CZ 4Å; L67-F521 HydrophobicContact CG-CZ 3.99Å
68I90.3Very high85.6Confident6 Ų641.5 Ų41.53%0.03123%0.232CC..Hα-helixtrans-66.5-43.7173.1-69.8169.1000109.8F55 I58 F59 G64 F65 D70 F71 C72 F159F55-I68 HydrophobicContact CE2-CD1 4.46Å; I58-I68 HydrophobicContact CB-CD1 4.41Å; I58-I68 HydrophobicContact CG2-CD1 3.8Å; F59-I68 HydrophobicContact CB-CD1 4.16Å; F59-I68 HydrophobicContact CD2-CD1 4.12Å; F59-I68 HydrophobicContact CD2-CG2 4.26Å; G64-I68 WeakPolarHBondContact O-CG1 3.3Å; G64-I68 PolarHBondContact O-N 2.96Å; F65-I68 PolarHBondContact O-N 2.91Å; I68-D70 PolarHBondContact O-N 3.34Å; I68-F71 WeakPolarHBondContact O-CB 3.38Å; I68-F71 PolarHBondContact O-N 2.96Å; I68-C72 PolarHBondContact O-N 3.04Å; I68-C72 PolarHBondContact O-SG 2.61Å; I68-F159 HydrophobicContact CD1-CE1 4.32Å; I68-F159 HydrophobicContact CD1-CZ 4.46Å; I68-F159 HydrophobicContact CG1-CD1 4.13Å; I68-F159 HydrophobicContact CG1-CD2 3.93Å; I68-F159 HydrophobicContact CG1-CE1 3.9Å; I68-F159 HydrophobicContact CG1-CE2 3.69Å; I68-F159 HydrophobicContact CG1-CG 4.14Å; I68-F159 HydrophobicContact CG1-CZ 3.67Å
69K86.6Confident84Confident47 Ų4743.5 Ų43.520%0.20425%0.248CC..Hα-helixtrans-57.2-50.3176-179.3-176.8173.2-174.40111F65 F71 C72 E73F65-K69 HydrophobicContact CE1-CD 4.42Å; F65-K69 HydrophobicContact CZ-CD 4.31Å; F65-K69 VanDerWaalsContact O-CB 3.27Å; F65-K69 WeakPolarHBondContact O-CB 3.44Å; F65-K69 PolarHBondContact O-N 2.87Å; K69-F71 VanDerWaalsContact C-N 3.33Å; K69-F71 PolarHBondContact O-N 2.92Å; K69-C72 PolarHBondContact O-N 3.08Å; K69-E73 VanDerWaalsContact CE-CD 3.48Å; K69-E73 WeakPolarHBondContact CE-OE1 3.46Å; K69-E73 HydrophobicContact CG-CG 4.37Å; K69-E73 IonicContact NZ-OE1 3.58Å; K69-E73 WeakPolarHBondContact O-CB 3.29Å; K69-E73 WeakPolarHBondContact O-CG 3.4Å; K69-E73 PolarHBondContact O-N 3.05Å
70D89.4Confident82.6Confident38 Ų3842.8 Ų42.820%0.20325%0.246CC..Hα-helixtrans-58.5-42.8176.2178.7-2.9000111.8L66 I68 E73 N74 K164L66-D70 WeakPolarHBondContact O-CB 3.43Å; L66-D70 PolarHBondContact O-N 3.32Å; I68-D70 PolarHBondContact O-N 3.34Å; D70-E73 PolarHBondContact O-N 3.33Å; D70-N74 WeakPolarHBondContact O-CB 3.47Å; D70-N74 PolarHBondContact O-N 2.67Å; D70-N74 PolarHBondContact O-ND2 3.31Å; D70-N74 PolarHBondContact OD1-ND2 3.41Å; D70-K164 VanDerWaalsContact CG-CE 3.47Å; D70-K164 VanDerWaalsContact OD1-CE 3.32Å; D70-K164 WeakPolarHBondContact OD1-CE 3.26Å; D70-K164 IonicContact OD1-NZ 3.76Å; D70-K164 PolarHBondContact OD1-NZ 3Å; D70-K164 VanDerWaalsContact OD1-NZ 3.12Å; D70-K164 VanDerWaalsContact OD2-CE 3.29Å; D70-K164 WeakPolarHBondContact OD2-CE 3.1Å; D70-K164 IonicContact OD2-NZ 3.95Å; D70-K164 PolarHBondContact OD2-NZ 3.36Å
71F90.2Very high81.3Confident7 Ų740.5 Ų40.53%0.03122%0.22CC..Hα-helixtrans-59.9-46.7174.3176.2-101.3000112.7L67 I68 K69 V75 S76 I155 K158 F159 K164L67-F71 WeakPolarHBondContact O-CB 3.39Å; L67-F71 PolarHBondContact O-N 3.36Å; I68-F71 WeakPolarHBondContact O-CB 3.38Å; I68-F71 PolarHBondContact O-N 2.96Å; K69-F71 VanDerWaalsContact C-N 3.33Å; K69-F71 PolarHBondContact O-N 2.92Å; F71-V75 HydrophobicContact CD2-CB 3.76Å; F71-V75 HydrophobicContact CD2-CG1 4.07Å; F71-V75 HydrophobicContact CD2-CG2 3.97Å; F71-V75 HydrophobicContact CE2-CB 3.8Å; F71-V75 HydrophobicContact CE2-CG1 3.63Å; F71-V75 HydrophobicContact CE2-CG2 4.38Å; F71-V75 HydrophobicContact CG-CB 4.49Å; F71-V75 HydrophobicContact CZ-CG1 4.39Å; F71-V75 WeakPolarHBondContact O-CA 3.3Å; F71-V75 VanDerWaalsContact O-CB 3.27Å; F71-V75 WeakPolarHBondContact O-CB 3.48Å; F71-V75 PolarHBondContact O-N 3.46Å; F71-S76 PolarHBondContact O-N 3.21Å; F71-I155 HydrophobicContact CE1-CG2 4.18Å; F71-K158 HydrophobicContact CE1-CB 4.28Å; F71-K158 HydrophobicContact CZ-CB 3.79Å; F71-F159 HydrophobicContact CB-CD2 3.94Å; F71-F159 HydrophobicContact CD1-CB 3.83Å; F71-F159 HydrophobicContact CD1-CD2 4.21Å; F71-F159 HydrophobicContact CE1-CB 3.87Å; F71-F159 HydrophobicContact CG-CB 4.3Å; F71-F159 AromaticContact CG-CD2 3.96Å; F71-F159 HydrophobicContact CG-CD2 3.96Å; F71-F159 HydrophobicContact CZ-CB 4.4Å; F71-K164 HydrophobicContact CB-CB 4.22Å; F71-K164 HydrophobicContact CB-CG 4.04Å; F71-K164 HydrophobicContact CD2-CG 4.34Å
72C83.8Confident80.1Confident0 Ų041.2 Ų41.20%022%0.223CC..Hα-helixtrans-64.5-45.8179.5-68.40000111.9I68 K69 D77 V78 C80 L151I68-C72 PolarHBondContact O-N 3.04Å; I68-C72 PolarHBondContact O-SG 2.61Å; K69-C72 PolarHBondContact O-N 3.08Å; C72-D77 PolarHBondContact O-N 2.91Å; C72-V78 CarbonylContact C-O 3.57Å; C72-V78 WeakPolarHBondContact CB-O 3.36Å; C72-V78 PolarHBondContact O-N 2.84Å; C72-C80 HydrophobicContact CB-CB 4.46Å; C72-L151 VanDerWaalsContact SG-CD2 3.6Å
73E81.6Confident78.9Confident83 Ų8338.8 Ų38.839%0.38821%0.213SC..Hα-helixtrans-70.8-33.1-177-70.7177.2163.700113.4K69 D70K69-E73 VanDerWaalsContact CE-CD 3.48Å; K69-E73 WeakPolarHBondContact CE-OE1 3.46Å; K69-E73 HydrophobicContact CG-CG 4.37Å; K69-E73 IonicContact NZ-OE1 3.58Å; K69-E73 WeakPolarHBondContact O-CB 3.29Å; K69-E73 WeakPolarHBondContact O-CG 3.4Å; K69-E73 PolarHBondContact O-N 3.05Å; D70-E73 PolarHBondContact O-N 3.33Å
74N80.6Confident77.6Confident115 Ų11542 Ų4262%0.61523%0.227SC*.Hα-helixtrans-113.3-15-171.5-63.3-50.4000115.4D70D70-N74 WeakPolarHBondContact O-CB 3.47Å; D70-N74 PolarHBondContact O-N 2.67Å; D70-N74 PolarHBondContact O-ND2 3.31Å; D70-N74 PolarHBondContact OD1-ND2 3.41Å
75V74.1Confident76.5Confident89 Ų8946.3 Ų46.354%0.53925%0.247SC..THydrogen-bonded Turntrans-123.4-36.4-173.7-171.20000112.9F71F71-V75 HydrophobicContact CD2-CB 3.76Å; F71-V75 HydrophobicContact CD2-CG1 4.07Å; F71-V75 HydrophobicContact CD2-CG2 3.97Å; F71-V75 HydrophobicContact CE2-CB 3.8Å; F71-V75 HydrophobicContact CE2-CG1 3.63Å; F71-V75 HydrophobicContact CE2-CG2 4.38Å; F71-V75 HydrophobicContact CG-CB 4.49Å; F71-V75 HydrophobicContact CZ-CG1 4.39Å; F71-V75 WeakPolarHBondContact O-CA 3.3Å; F71-V75 VanDerWaalsContact O-CB 3.27Å; F71-V75 WeakPolarHBondContact O-CB 3.48Å; F71-V75 PolarHBondContact O-N 3.46Å
76S67.1Low75.9Confident32 Ų3244.7 Ų44.722%0.22424%0.24CC..SBendtrans-102.7-3.9-173.5-168.90000114.7F71 V78F71-S76 PolarHBondContact O-N 3.21Å; S76-V78 PolarHBondContact O-N 2.94Å
77D64.9Low75Confident155 Ų15546.1 Ų46.183%0.82925%0.245SC*.  trans52.320.5-171.5-67.7-30000114.4C72C72-D77 PolarHBondContact O-N 2.91Å
78V62.7Low73.8Confident43 Ų4352.8 Ų52.826%0.26127%0.274SS..  trans-96.1115.1177.1177.10000107.9C72 S76 C80 I155C72-V78 CarbonylContact C-O 3.57Å; C72-V78 WeakPolarHBondContact CB-O 3.36Å; C72-V78 PolarHBondContact O-N 2.84Å; S76-V78 PolarHBondContact O-N 2.94Å; V78-C80 PolarHBondContact O-N 2.94Å; V78-I155 HydrophobicContact CB-CD1 4.46Å; V78-I155 HydrophobicContact CG1-CD1 4.19Å; V78-I155 HydrophobicContact CG2-CD1 3.92Å
79A60.3Low72.9Confident41 Ų4154.5 Ų54.534%0.33928%0.284SS..  trans-64.1121.6173.600000109.2P81 Y106A79-P81 VanDerWaalsContact O-CD 3.31Å; A79-P81 WeakPolarHBondContact O-CD 3.28Å; A79-Y106 HydrophobicContact CB-CD1 4Å; A79-Y106 HydrophobicContact CB-CE1 4.18Å
80C60.4Low72Confident11 Ų1154 Ų547%0.07428%0.282CS..  trans-91.9108.1166.5-176.30000107.8C72 V78C72-C80 HydrophobicContact CB-CB 4.46Å; V78-C80 PolarHBondContact O-N 2.94Å
81P60.4Low71.3Confident14 Ų1454.7 Ų54.79%0.09129%0.285CS..  trans-63.2147.6-177-24.538.1000111.8A79 I83 Y106 I147A79-P81 VanDerWaalsContact O-CD 3.31Å; A79-P81 WeakPolarHBondContact O-CD 3.28Å; P81-I83 HydrophobicContact CB-CD1 3.8Å; P81-I83 HydrophobicContact CB-CG1 3.83Å; P81-I83 HydrophobicContact CG-CD1 4.34Å; P81-I83 PolarHBondContact O-N 3.18Å; P81-Y106 HydrophobicContact CB-CD1 4.41Å; P81-Y106 HydrophobicContact CB-CD2 4.48Å; P81-Y106 HydrophobicContact CB-CG 4.28Å; P81-Y106 HydrophobicContact CG-CD1 4.39Å; P81-Y106 HydrophobicContact CG-CG 4.48Å; P81-I147 HydrophobicContact CB-CD1 4.39Å; P81-I147 HydrophobicContact CG-CD1 3.63Å
82Q66.3Low70.8Confident40 Ų4057.3 Ų57.319%0.18730%0.3CS..THydrogen-bonded Turntrans-73.838.1179.2-65.5178.8-5.700113.1K84 E85 F86Q82-K84 PolarHBondContact O-N 2.7Å; Q82-E85 WeakPolarHBondContact O-CB 3.19Å; Q82-E85 PolarHBondContact O-N 3.39Å; Q82-E85 VanDerWaalsContact O-N 3.14Å; Q82-E85 PolarHBondContact OE1-OE2 3.23Å; Q82-F86 PolarHBondContact O-N 3.49Å
83I68.4Low70.6Confident11 Ų1165 Ų656%0.05634%0.336CS..Hα-helixtrans-66.6-36.4-173.8-63.7159.5000111.7P81 E85 F86 E87 F140 V144 I147P81-I83 HydrophobicContact CB-CD1 3.8Å; P81-I83 HydrophobicContact CB-CG1 3.83Å; P81-I83 HydrophobicContact CG-CD1 4.34Å; P81-I83 PolarHBondContact O-N 3.18Å; I83-E85 PolarHBondContact O-N 2.85Å; I83-E85 VanDerWaalsContact O-N 3.16Å; I83-F86 WeakPolarHBondContact O-CA 3.37Å; I83-F86 WeakPolarHBondContact O-CB 3.29Å; I83-F86 PolarHBondContact O-N 2.67Å; I83-E87 HydrophobicContact CG2-CG 4.25Å; I83-E87 PolarHBondContact O-N 2.9Å; I83-F140 HydrophobicContact CD1-CB 4.22Å; I83-F140 HydrophobicContact CG1-CB 4.1Å; I83-F140 HydrophobicContact CG1-CG 4.33Å; I83-F140 HydrophobicContact CG2-CB 3.64Å; I83-F140 HydrophobicContact CG2-CG 4.37Å; I83-V144 HydrophobicContact CB-CG2 4.07Å; I83-V144 HydrophobicContact CD1-CG2 3.89Å; I83-V144 HydrophobicContact CG2-CG2 3.32Å; I83-I147 HydrophobicContact CD1-CD1 3.5Å; I83-I147 VanDerWaalsContact CD1-CD1 3.5Å
84K68Low70.8Confident71 Ų7165.2 Ų65.231%0.30934%0.337SS..Hα-helixtrans-62-23.5175.5-71.8-167.4-178.4177.20113.5F59 F65 Q82 K88F59-K84 VanDerWaalsContact CE1-CE 3.48Å; F59-K84 VanDerWaalsContact CE1-NZ 3.26Å; F65-K84 HydrophobicContact CD2-CD 4.21Å; F65-K84 VanDerWaalsContact CD2-NZ 3.27Å; F65-K84 HydrophobicContact CE1-CD 4.49Å; F65-K84 HydrophobicContact CE2-CD 3.79Å; F65-K84 HydrophobicContact CZ-CD 3.94Å; Q82-K84 PolarHBondContact O-N 2.7Å; K84-K88 WeakPolarHBondContact O-CD 3.13Å; K84-K88 VanDerWaalsContact O-CG 3.25Å; K84-K88 WeakPolarHBondContact O-CG 3.43Å
85E72.1Confident71Confident89 Ų8961.1 Ų61.142%0.41631%0.312SS..Hα-helixtrans-77-39.2173-68176.1-165.200110.4Q82 I83 K88 L89 K98Q82-E85 WeakPolarHBondContact O-CB 3.19Å; Q82-E85 PolarHBondContact O-N 3.39Å; Q82-E85 VanDerWaalsContact O-N 3.14Å; Q82-E85 PolarHBondContact OE1-OE2 3.23Å; I83-E85 PolarHBondContact O-N 2.85Å; I83-E85 VanDerWaalsContact O-N 3.16Å; E85-K88 WeakPolarHBondContact O-CB 3.31Å; E85-K88 PolarHBondContact O-N 3.33Å; E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 2.98Å; E85-K98 IonicContact OE2-NZ 2.65Å
86F78.6Confident71.6Confident0 Ų058.9 Ų58.90%030%0.297CS..Hα-helixtrans-62.2-42.7173.4169-88000112.9Q82 I83 K88 L89 R95 K98 A99 I102 P136 S137 L139 F140Q82-F86 PolarHBondContact O-N 3.49Å; I83-F86 WeakPolarHBondContact O-CA 3.37Å; I83-F86 WeakPolarHBondContact O-CB 3.29Å; I83-F86 PolarHBondContact O-N 2.67Å; F86-K88 PolarHBondContact O-N 3.49Å; F86-L89 WeakPolarHBondContact O-CB 3.24Å; F86-L89 PolarHBondContact O-N 3.17Å; F86-R95 HydrophobicContact CD2-CB 4.24Å; F86-R95 HydrophobicContact CD2-CG 4.15Å; F86-R95 HydrophobicContact CE2-CB 3.52Å; F86-R95 HydrophobicContact CE2-CG 3.7Å; F86-R95 WeakPolarHBondContact CE2-O 3.26Å; F86-R95 HydrophobicContact CZ-CB 4.09Å; F86-R95 HydrophobicContact CZ-CG 4.06Å; F86-K98 HydrophobicContact CB-CG 4.24Å; F86-K98 HydrophobicContact CD2-CB 4.31Å; F86-K98 HydrophobicContact CD2-CG 4.46Å; F86-A99 HydrophobicContact CD2-CB 4.17Å; F86-A99 HydrophobicContact CE2-CB 3.68Å; F86-A99 HydrophobicContact CZ-CB 4.49Å; F86-I102 HydrophobicContact CB-CD1 3.61Å; F86-I102 HydrophobicContact CG-CD1 4.28Å; F86-P136 WeakPolarHBondContact CE1-O 3.25Å; F86-P136 WeakPolarHBondContact CZ-O 3.31Å; F86-S137 WeakPolarHBondContact CE1-O 3.48Å; F86-L139 HydrophobicContact CE1-CB 3.89Å; F86-L139 HydrophobicContact CE2-CD2 4.41Å; F86-L139 HydrophobicContact CZ-CB 3.76Å; F86-L139 HydrophobicContact CZ-CD2 3.93Å; F86-L139 HydrophobicContact CZ-CG 4.42Å; F86-F140 AromaticContact CD1-CD2 3.5Å; F86-F140 HydrophobicContact CD1-CD2 3.5Å; F86-F140 AromaticContact CD1-CE2 3.95Å; F86-F140 HydrophobicContact CD1-CE2 3.95Å; F86-F140 HydrophobicContact CD2-CD2 4.23Å; F86-F140 AromaticContact CD2-CE2 3.8Å; F86-F140 HydrophobicContact CD2-CE2 3.8Å; F86-F140 AromaticContact CE1-CD2 3.6Å; F86-F140 HydrophobicContact CE1-CD2 3.6Å; F86-F140 AromaticContact CE1-CE2 3.99Å; F86-F140 HydrophobicContact CE1-CE2 3.99Å; F86-F140 HydrophobicContact CE2-CD2 4.33Å; F86-F140 AromaticContact CE2-CE2 3.86Å; F86-F140 HydrophobicContact CE2-CE2 3.86Å; F86-F140 AromaticContact CG-CD2 3.83Å; F86-F140 HydrophobicContact CG-CD2 3.83Å; F86-F140 AromaticContact CG-CE2 3.84Å; F86-F140 HydrophobicContact CG-CE2 3.84Å; F86-F140 HydrophobicContact CZ-CD2 4.02Å; F86-F140 AromaticContact CZ-CE2 3.94Å; F86-F140 HydrophobicContact CZ-CE2 3.94Å
87E74.4Confident72.7Confident74 Ų7462.4 Ų62.435%0.34632%0.317SS..Hα-helixtrans-61.8-26.9177.6-71.2170.217900112.5I83I83-E87 HydrophobicContact CG2-CG 4.25Å; I83-E87 PolarHBondContact O-N 2.9Å
88K70.3Confident73.7Confident142 Ų14256.4 Ų56.462%0.61728%0.284SS*.THydrogen-bonded Turntrans-83.5-12.7174.9-67.7172.6-175.9-172.20113.2K84 E85 F86 E90K84-K88 WeakPolarHBondContact O-CD 3.13Å; K84-K88 VanDerWaalsContact O-CG 3.25Å; K84-K88 WeakPolarHBondContact O-CG 3.43Å; E85-K88 WeakPolarHBondContact O-CB 3.31Å; E85-K88 PolarHBondContact O-N 3.33Å; F86-K88 PolarHBondContact O-N 3.49Å; K88-E90 PolarHBondContact O-N 2.75Å
89L71.2Confident74.9Confident43 Ų4354.4 Ų54.423%0.22527%0.271CS..  trans-77.8123.8172.8-65.4175.9000108E85 F86 E94 R95 K98E85-L89 WeakPolarHBondContact O-CG 3.36Å; E85-L89 PolarHBondContact O-N 2.98Å; F86-L89 WeakPolarHBondContact O-CB 3.24Å; F86-L89 PolarHBondContact O-N 3.17Å; L89-E94 HydrophobicContact CD1-CB 4.43Å; L89-E94 HydrophobicContact CD2-CB 4.34Å; L89-R95 HydrophobicContact CB-CG 3.58Å; L89-R95 WeakPolarHBondContact O-CD 3.47Å; L89-R95 VanDerWaalsContact O-CG 3.29Å; L89-R95 WeakPolarHBondContact O-CG 3.13Å; L89-K98 HydrophobicContact CD1-CB 3.26Å; L89-K98 HydrophobicContact CD1-CD 4.32Å; L89-K98 HydrophobicContact CD1-CG 3.55Å
90E66.7Low76.2Confident36 Ų3658.3 Ų58.317%0.16828%0.277CS..  trans-102.2-31.8-168.2-81.3-163-152.800110.8K88 Q454 L458K88-E90 PolarHBondContact O-N 2.75Å; E90-Q454 VanDerWaalsContact C-NE2 3.29Å; E90-Q454 HydrophobicContact CB-CG 3.89Å; E90-Q454 HydrophobicContact CG-CG 4.27Å; E90-Q454 PolarHBondContact O-NE2 3.12Å; E90-Q454 PolarHBondContact O-OE1 3.34Å; E90-Q454 WeakPolarHBondContact OE2-CG 3.48Å; E90-L458 HydrophobicContact CB-CD1 3.36Å; E90-L458 HydrophobicContact CB-CD2 4.35Å; E90-L458 HydrophobicContact CB-CG 4.16Å; E90-L458 HydrophobicContact CG-CD1 3.93Å; E90-L458 HydrophobicContact CG-CD2 3.99Å; E90-L458 HydrophobicContact CG-CG 4.17Å; E90-L458 WeakPolarHBondContact OE1-CD2 3.5Å; E90-L458 WeakPolarHBondContact OE2-CD1 3.49Å; E90-L458 WeakPolarHBondContact OE2-CG 3.49Å
91L75.2Confident77.5Confident53 Ų5361.4 Ų61.428%0.27729%0.291SS..SBendtrans-79.5132.5175.1-63.9174.3000111.9E93 E94 R95L91-E93 PolarHBondContact O-N 2.95Å; L91-E94 HydrophobicContact CB-CB 4.23Å; L91-E94 HydrophobicContact CB-CG 3.98Å; L91-E94 HydrophobicContact CD1-CG 4.23Å; L91-E94 PolarHBondContact O-N 3.47Å; L91-R95 WeakPolarHBondContact O-CB 3.43Å; L91-R95 PolarHBondContact O-N 3.4Å
92N78.7Confident78.7Confident62 Ų6260.9 Ų60.933%0.33229%0.287SS..Hα-helixtrans-60.3-33.5178.4-171.459.6000112.6L96 G133 T135N92-L96 VanDerWaalsContact O-CB 3.31Å; N92-L96 WeakPolarHBondContact O-CB 3.38Å; N92-L96 PolarHBondContact O-N 3.01Å; N92-G133 PolarHBondContact ND2-O 3.46Å; N92-T135 PolarHBondContact O-OG1 3.47Å; N92-T135 WeakPolarHBondContact OD1-CA 3.48Å; N92-T135 PolarHBondContact OD1-N 2.62Å; N92-T135 PolarHBondContact OD1-O 3.09Å; N92-T135 PolarHBondContact OD1-OG1 3.33Å
93E81.6Confident79.6Confident162 Ų16260 Ų6076%0.75728%0.283SS*.Hα-helixtrans-67.1-44.6177.7-64.6-177.7174.800112L91 L96 V97L91-E93 PolarHBondContact O-N 2.95Å; E93-L96 PolarHBondContact O-N 3.27Å; E93-V97 WeakPolarHBondContact O-CG2 3.48Å; E93-V97 PolarHBondContact O-N 2.86Å; E93-V97 VanDerWaalsContact O-N 3.13Å
94E84.8Confident80.4Confident87 Ų8764.4 Ų64.441%0.40731%0.306SS..Hα-helixtrans-65.9-42.6175.5-64.1-177.815800111L89 L91 L96 V97 K98L89-E94 HydrophobicContact CD1-CB 4.43Å; L89-E94 HydrophobicContact CD2-CB 4.34Å; L91-E94 HydrophobicContact CB-CB 4.23Å; L91-E94 HydrophobicContact CB-CG 3.98Å; L91-E94 HydrophobicContact CD1-CG 4.23Å; L91-E94 PolarHBondContact O-N 3.47Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.33Å; E94-V97 PolarHBondContact O-N 3.18Å; E94-K98 WeakPolarHBondContact O-CB 3.25Å; E94-K98 PolarHBondContact O-N 3.44Å
95R85.4Confident81.1Confident28 Ų2867.9 Ų67.911%0.10632%0.317CS..Hα-helixtrans-58.9-42.9173.1-81.4-162.1-56.3-135.210.8111.4F86 L89 L91 V97 K98 A99 T135F86-R95 HydrophobicContact CD2-CB 4.24Å; F86-R95 HydrophobicContact CD2-CG 4.15Å; F86-R95 HydrophobicContact CE2-CB 3.52Å; F86-R95 HydrophobicContact CE2-CG 3.7Å; F86-R95 WeakPolarHBondContact CE2-O 3.26Å; F86-R95 HydrophobicContact CZ-CB 4.09Å; F86-R95 HydrophobicContact CZ-CG 4.06Å; L89-R95 HydrophobicContact CB-CG 3.58Å; L89-R95 WeakPolarHBondContact O-CD 3.47Å; L89-R95 VanDerWaalsContact O-CG 3.29Å; L89-R95 WeakPolarHBondContact O-CG 3.13Å; L91-R95 WeakPolarHBondContact O-CB 3.43Å; L91-R95 PolarHBondContact O-N 3.4Å; R95-V97 PolarHBondContact O-N 3.35Å; R95-K98 PolarHBondContact O-N 2.95Å; R95-A99 WeakPolarHBondContact O-CA 3.39Å; R95-A99 WeakPolarHBondContact O-CB 3.35Å; R95-A99 PolarHBondContact O-N 2.65Å; R95-T135 WeakPolarHBondContact CB-OG1 3.48Å; R95-T135 PolarHBondContact NE-O 3.1Å; R95-T135 PolarHBondContact NH2-O 3.19Å
96L87Confident81.5Confident43 Ų4364.9 Ų64.923%0.22530%0.302CS..Hα-helixtrans-62.5-43.3178.8-177.764.1000111.9N92 E93 E94 R100 L130 T135N92-L96 VanDerWaalsContact O-CB 3.31Å; N92-L96 WeakPolarHBondContact O-CB 3.38Å; N92-L96 PolarHBondContact O-N 3.01Å; E93-L96 PolarHBondContact O-N 3.27Å; E94-L96 VanDerWaalsContact C-N 3.32Å; E94-L96 PolarHBondContact O-N 3.33Å; L96-R100 WeakPolarHBondContact O-CG 3.41Å; L96-R100 PolarHBondContact O-N 2.81Å; L96-R100 VanDerWaalsContact O-N 3.09Å; L96-L130 HydrophobicContact CD1-CD2 4.34Å; L96-T135 HydrophobicContact CB-CG2 4.21Å; L96-T135 HydrophobicContact CD1-CG2 3.7Å; L96-T135 PolarHBondContact N-OG1 3.25Å
97V89Confident81.6Confident106 Ų10665 Ų6564%0.64230%0.303SS*.Hα-helixtrans-62.3-50.2175.81740000110.5E93 E94 R95 A99 R100 E101E93-V97 WeakPolarHBondContact O-CG2 3.48Å; E93-V97 PolarHBondContact O-N 2.86Å; E93-V97 VanDerWaalsContact O-N 3.13Å; E94-V97 PolarHBondContact O-N 3.18Å; R95-V97 PolarHBondContact O-N 3.35Å; V97-A99 PolarHBondContact O-N 3.04Å; V97-R100 PolarHBondContact O-N 3.18Å; V97-E101 PolarHBondContact O-N 3.39Å
98K86.4Confident82Confident29 Ų2964.4 Ų64.413%0.12630%0.301CS..Hα-helixtrans-67.4-36.6-179.1-16971.7-174.4169.80112.4E85 F86 L89 E94 R95 E101 I102E85-K98 IonicContact OE2-NZ 2.65Å; F86-K98 HydrophobicContact CB-CG 4.24Å; F86-K98 HydrophobicContact CD2-CB 4.31Å; F86-K98 HydrophobicContact CD2-CG 4.46Å; L89-K98 HydrophobicContact CD1-CB 3.26Å; L89-K98 HydrophobicContact CD1-CD 4.32Å; L89-K98 HydrophobicContact CD1-CG 3.55Å; E94-K98 WeakPolarHBondContact O-CB 3.25Å; E94-K98 PolarHBondContact O-N 3.44Å; R95-K98 PolarHBondContact O-N 2.95Å; K98-E101 WeakPolarHBondContact CD-OE2 3.36Å; K98-E101 IonicContact NZ-OE1 2.65Å; K98-E101 IonicContact NZ-OE2 3.75Å; K98-E101 PolarHBondContact NZ-OE2 3.4Å; K98-E101 WeakPolarHBondContact O-CB 3.03Å; K98-E101 PolarHBondContact O-N 3.3Å; K98-I102 HydrophobicContact CG-CD1 3.99Å; K98-I102 HydrophobicContact CG-CG1 4.44Å; K98-I102 WeakPolarHBondContact O-CB 3.3Å; K98-I102 VanDerWaalsContact O-CG1 3.27Å; K98-I102 WeakPolarHBondContact O-CG1 3.4Å; K98-I102 PolarHBondContact O-N 3.4Å
99A87Confident82.5Confident0 Ų059.8 Ų59.80%029%0.289CS..Hα-helixtrans-65.1-40.9177.700000111.4F86 R95 V97 I102 Y103 L130 T135 L139 F140F86-A99 HydrophobicContact CD2-CB 4.17Å; F86-A99 HydrophobicContact CE2-CB 3.68Å; F86-A99 HydrophobicContact CZ-CB 4.49Å; R95-A99 WeakPolarHBondContact O-CA 3.39Å; R95-A99 WeakPolarHBondContact O-CB 3.35Å; R95-A99 PolarHBondContact O-N 2.65Å; V97-A99 PolarHBondContact O-N 3.04Å; A99-I102 PolarHBondContact O-N 3.17Å; A99-Y103 VanDerWaalsContact O-CB 3.23Å; A99-Y103 WeakPolarHBondContact O-CB 3.37Å; A99-Y103 PolarHBondContact O-N 3.42Å; A99-L130 HydrophobicContact CB-CD2 3.65Å; A99-T135 HydrophobicContact CB-CG2 4.17Å; A99-L139 HydrophobicContact CB-CD2 3.83Å; A99-F140 HydrophobicContact CB-CE2 3.76Å; A99-F140 HydrophobicContact CB-CZ 3.78Å
100R88.9Confident82.7Confident123 Ų12359.6 Ų59.646%0.46429%0.287SS..Hα-helixtrans-63.6-43.9172.1-72.2-179.6-174.2-78.4-6.5111.5L96 V97 I102 Y103 D104 L130L96-R100 WeakPolarHBondContact O-CG 3.41Å; L96-R100 PolarHBondContact O-N 2.81Å; L96-R100 VanDerWaalsContact O-N 3.09Å; V97-R100 PolarHBondContact O-N 3.18Å; R100-I102 PolarHBondContact O-N 3.32Å; R100-Y103 PolarHBondContact O-N 3.47Å; R100-D104 WeakPolarHBondContact O-CB 3.29Å; R100-D104 PolarHBondContact O-N 3.17Å; R100-L130 HydrophobicContact CG-CD2 4.11Å; R100-L130 PolarHBondContact NH2-O 2.93Å; R100-L130 VanDerWaalsContact NH2-O 3.14Å
101E88.2Confident83.3Confident76 Ų7660.7 Ų60.736%0.35529%0.293SS..Hα-helixtrans-57.7-48174.8-167.5-159.316300111.5V97 K98 R105V97-E101 PolarHBondContact O-N 3.39Å; K98-E101 WeakPolarHBondContact CD-OE2 3.36Å; K98-E101 IonicContact NZ-OE1 2.65Å; K98-E101 IonicContact NZ-OE2 3.75Å; K98-E101 PolarHBondContact NZ-OE2 3.4Å; K98-E101 WeakPolarHBondContact O-CB 3.03Å; K98-E101 PolarHBondContact O-N 3.3Å; E101-R105 WeakPolarHBondContact O-CB 3.13Å; E101-R105 PolarHBondContact O-N 2.73Å; E101-R105 IonicContact OE1-NH1 2.86Å
102I84.6Confident83.6Confident3 Ų364.3 Ų64.32%0.01531%0.312CS..Hα-helixtrans-62.5-46.1178.7-70.8168.1000110.5F86 K98 A99 R100 Y106 F140F86-I102 HydrophobicContact CB-CD1 3.61Å; F86-I102 HydrophobicContact CG-CD1 4.28Å; K98-I102 HydrophobicContact CG-CD1 3.99Å; K98-I102 HydrophobicContact CG-CG1 4.44Å; K98-I102 WeakPolarHBondContact O-CB 3.3Å; K98-I102 VanDerWaalsContact O-CG1 3.27Å; K98-I102 WeakPolarHBondContact O-CG1 3.4Å; K98-I102 PolarHBondContact O-N 3.4Å; A99-I102 PolarHBondContact O-N 3.17Å; R100-I102 PolarHBondContact O-N 3.32Å; I102-Y106 HydrophobicContact CG2-CD2 4.29Å; I102-Y106 WeakPolarHBondContact O-CB 3.39Å; I102-Y106 WeakPolarHBondContact O-CD2 3.34Å; I102-Y106 PolarHBondContact O-N 3.17Å; I102-F140 HydrophobicContact CB-CE1 4.48Å; I102-F140 HydrophobicContact CB-CE2 4.5Å; I102-F140 HydrophobicContact CB-CZ 4.01Å; I102-F140 HydrophobicContact CD1-CE2 4.12Å; I102-F140 HydrophobicContact CD1-CZ 4.48Å; I102-F140 HydrophobicContact CG2-CD1 4.4Å; I102-F140 HydrophobicContact CG2-CE1 3.82Å; I102-F140 HydrophobicContact CG2-CE2 4.4Å; I102-F140 HydrophobicContact CG2-CZ 3.82Å
103Y86.2Confident83.7Confident23 Ų2364.6 Ų64.69%0.0932%0.323CS..Iπ-helixtrans-62-49.8-179.7-178.7-95000111.6A99 R100 R105 I107 M108 V126 L130A99-Y103 VanDerWaalsContact O-CB 3.23Å; A99-Y103 WeakPolarHBondContact O-CB 3.37Å; A99-Y103 PolarHBondContact O-N 3.42Å; R100-Y103 PolarHBondContact O-N 3.47Å; Y103-R105 PolarHBondContact O-N 2.88Å; Y103-I107 HydrophobicContact CD2-CB 3.99Å; Y103-I107 HydrophobicContact CD2-CD1 3.9Å; Y103-I107 HydrophobicContact CD2-CG2 4Å; Y103-I107 HydrophobicContact CE2-CB 4.36Å; Y103-I107 HydrophobicContact CE2-CG2 3.89Å; Y103-I107 WeakPolarHBondContact O-CB 3.44Å; Y103-I107 PolarHBondContact O-N 2.76Å; Y103-I107 VanDerWaalsContact O-N 3.13Å; Y103-M108 HydrophobicContact CE1-CB 4.36Å; Y103-M108 HydrophobicContact CE1-CE 3.46Å; Y103-M108 VanDerWaalsContact CE1-CE 3.46Å; Y103-M108 WeakPolarHBondContact O-CB 3.43Å; Y103-M108 PolarHBondContact O-N 3.14Å; Y103-V126 HydrophobicContact CD2-CG1 3.93Å; Y103-L130 HydrophobicContact CD1-CD1 4.16Å; Y103-L130 HydrophobicContact CD2-CD1 3.74Å; Y103-L130 HydrophobicContact CE2-CD1 4.42Å; Y103-L130 HydrophobicContact CG-CD1 3.59Å
104D85.3Confident83.3Confident102 Ų10265 Ų6555%0.54533%0.325SS..Iπ-helixtrans-67.5-39.5-178-69.8-17.3000112R100R100-D104 WeakPolarHBondContact O-CB 3.29Å; R100-D104 PolarHBondContact O-N 3.17Å
105R82.2Confident82.7Confident145 Ų14563.8 Ų63.855%0.54733%0.325SS..Iπ-helixtrans-78.5-37.1-173.5-173.3173.4-176.6165.21.2114E101 Y103 A109E101-R105 WeakPolarHBondContact O-CB 3.13Å; E101-R105 PolarHBondContact O-N 2.73Å; E101-R105 IonicContact OE1-NH1 2.86Å; Y103-R105 PolarHBondContact O-N 2.88Å; R105-A109 WeakPolarHBondContact O-CB 3.24Å
106Y79.2Confident82Confident25 Ų2565.6 Ų65.610%0.09834%0.335CS..Iπ-helixtrans-110.6-57.7-173.4-60.6-84.9000111A79 P81 I102 E110A79-Y106 HydrophobicContact CB-CD1 4Å; A79-Y106 HydrophobicContact CB-CE1 4.18Å; P81-Y106 HydrophobicContact CB-CD1 4.41Å; P81-Y106 HydrophobicContact CB-CD2 4.48Å; P81-Y106 HydrophobicContact CB-CG 4.28Å; P81-Y106 HydrophobicContact CG-CD1 4.39Å; P81-Y106 HydrophobicContact CG-CG 4.48Å; I102-Y106 HydrophobicContact CG2-CD2 4.29Å; I102-Y106 WeakPolarHBondContact O-CB 3.39Å; I102-Y106 WeakPolarHBondContact O-CD2 3.34Å; I102-Y106 PolarHBondContact O-N 3.17Å; Y106-E110 WeakPolarHBondContact O-CB 3.38Å; Y106-E110 WeakPolarHBondContact O-CG 3.45Å; Y106-E110 PolarHBondContact O-N 3.13Å; Y106-E110 VanDerWaalsContact O-N 3.15Å
107I80.9Confident81.2Confident4 Ų470.7 Ų70.72%0.02136%0.357CS..Iπ-helixtrans-71.2-54.9-170.8-59.4170.5000110.7Y103 A109 E110 M111 L123 V126 F140 Y143Y103-I107 HydrophobicContact CD2-CB 3.99Å; Y103-I107 HydrophobicContact CD2-CD1 3.9Å; Y103-I107 HydrophobicContact CD2-CG2 4Å; Y103-I107 HydrophobicContact CE2-CB 4.36Å; Y103-I107 HydrophobicContact CE2-CG2 3.89Å; Y103-I107 WeakPolarHBondContact O-CB 3.44Å; Y103-I107 PolarHBondContact O-N 2.76Å; Y103-I107 VanDerWaalsContact O-N 3.13Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 2.89Å; I107-E110 PolarHBondContact O-N 3.45Å; I107-M111 HydrophobicContact CG2-CG 4.48Å; I107-M111 HydrophobicContact CG2-SD 4.12Å; I107-M111 WeakPolarHBondContact O-CB 3.27Å; I107-M111 VanDerWaalsContact O-CG 3.26Å; I107-M111 WeakPolarHBondContact O-CG 2.78Å; I107-M111 PolarHBondContact O-N 3.48Å; I107-L123 HydrophobicContact CG2-CD2 3.63Å; I107-V126 HydrophobicContact CD1-CG1 4.44Å; I107-F140 HydrophobicContact CD1-CD1 4.33Å; I107-F140 HydrophobicContact CD1-CE1 3.91Å; I107-Y143 HydrophobicContact CD1-CD1 4.17Å; I107-Y143 HydrophobicContact CD1-CD2 4.44Å; I107-Y143 HydrophobicContact CD1-CE1 3.67Å; I107-Y143 HydrophobicContact CD1-CE2 3.98Å; I107-Y143 HydrophobicContact CG1-CD1 4.36Å; I107-Y143 HydrophobicContact CG1-CE1 3.76Å; I107-Y143 HydrophobicContact CG2-CE1 4.21Å; I107-Y143 WeakPolarHBondContact CG2-OH 3.42Å
108M82.7Confident80.7Confident60 Ų6066.3 Ų66.330%0.29633%0.33SS..Iπ-helixtrans-64.2-39.4-179.1-176.563.57200111.5Y103 M111 L112Y103-M108 HydrophobicContact CE1-CB 4.36Å; Y103-M108 HydrophobicContact CE1-CE 3.46Å; Y103-M108 VanDerWaalsContact CE1-CE 3.46Å; Y103-M108 WeakPolarHBondContact O-CB 3.43Å; Y103-M108 PolarHBondContact O-N 3.14Å; M108-M111 PolarHBondContact O-N 2.88Å; M108-L112 HydrophobicContact CG-CD1 3.99Å; M108-L112 HydrophobicContact CG-CG 4.33Å; M108-L112 WeakPolarHBondContact O-CB 3.34Å; M108-L112 VanDerWaalsContact O-CG 3.23Å; M108-L112 WeakPolarHBondContact O-CG 3.27Å; M108-L112 PolarHBondContact O-N 3.02Å; M108-L112 HydrophobicContact SD-CD1 4.37Å; M108-L112 HydrophobicContact SD-CG 4.21Å
109A80.7Confident80.6Confident46 Ų4667.8 Ų67.838%0.3834%0.341SS..Hα-helixtrans-59.8-47.117700000112.1R105 I107 L112 A113R105-A109 WeakPolarHBondContact O-CB 3.24Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 2.89Å; A109-L112 PolarHBondContact O-N 3.16Å; A109-A113 WeakPolarHBondContact O-CB 3.32Å; A109-A113 PolarHBondContact O-N 2.91Å
110E76.5Confident80.5Confident39 Ų3975.3 Ų75.318%0.18237%0.374CS..Hα-helixtrans-69.4-35.4176.7-72177.9-165.800112.8Y106 I107 A113 H114 S115 H116 Y118Y106-E110 WeakPolarHBondContact O-CB 3.38Å; Y106-E110 WeakPolarHBondContact O-CG 3.45Å; Y106-E110 PolarHBondContact O-N 3.13Å; Y106-E110 VanDerWaalsContact O-N 3.15Å; I107-E110 PolarHBondContact O-N 3.45Å; E110-A113 CarbonylContact O-C 3.56Å; E110-A113 PolarHBondContact O-N 3.49Å; E110-H114 PolarHBondContact O-N 3.21Å; E110-S115 PolarHBondContact O-N 3.34Å; E110-H116 HydrophobicContact CB-CB 3.92Å; E110-Y118 WeakPolarHBondContact OE2-CE2 3.48Å
111M78.9Confident80.4Confident58 Ų5876 Ų7629%0.28638%0.382SS..Hα-helixtrans-60.5-46.2173.1-75.7-178.676.200111.5I107 M108 A113 H114 L123I107-M111 HydrophobicContact CG2-CG 4.48Å; I107-M111 HydrophobicContact CG2-SD 4.12Å; I107-M111 WeakPolarHBondContact O-CB 3.27Å; I107-M111 VanDerWaalsContact O-CG 3.26Å; I107-M111 WeakPolarHBondContact O-CG 2.78Å; I107-M111 PolarHBondContact O-N 3.48Å; M108-M111 PolarHBondContact O-N 2.88Å; M111-A113 VanDerWaalsContact C-N 3.33Å; M111-H114 PolarHBondContact O-N 2.92Å; M111-H114 PolarHBondContact O-ND1 3.48Å; M111-L123 HydrophobicContact CE-CD2 4.39Å; M111-L123 HydrophobicContact CG-CD2 4.03Å; M111-L123 HydrophobicContact SD-CD2 3.59Å; M111-L123 VanDerWaalsContact SD-CD2 3.59Å
112L82.8Confident80.2Confident130 Ų13072.5 Ų72.568%0.68137%0.366SS*.Hα-helixtrans-67.2-33.7177.7-70.5172.6000112.3M108 A109 H114M108-L112 HydrophobicContact CG-CD1 3.99Å; M108-L112 HydrophobicContact CG-CG 4.33Å; M108-L112 WeakPolarHBondContact O-CB 3.34Å; M108-L112 VanDerWaalsContact O-CG 3.23Å; M108-L112 WeakPolarHBondContact O-CG 3.27Å; M108-L112 PolarHBondContact O-N 3.02Å; M108-L112 HydrophobicContact SD-CD1 4.37Å; M108-L112 HydrophobicContact SD-CG 4.21Å; A109-L112 PolarHBondContact O-N 3.16Å; L112-H114 VanDerWaalsContact C-N 3.25Å; L112-H114 PolarHBondContact O-N 3.47Å
113A80.1Confident80.2Confident68 Ų6873.2 Ų73.256%0.56237%0.37SS*.THydrogen-bonded Turntrans-78.6-6.617500000113.7A109 E110 M111 S115A109-A113 WeakPolarHBondContact O-CB 3.32Å; A109-A113 PolarHBondContact O-N 2.91Å; E110-A113 CarbonylContact O-C 3.56Å; E110-A113 PolarHBondContact O-N 3.49Å; M111-A113 VanDerWaalsContact C-N 3.33Å; A113-S115 PolarHBondContact O-N 3.36Å
114H73.5Confident80.3Confident170 Ų17075.1 Ų75.179%0.78738%0.384SS*.THydrogen-bonded Turntrans54.130.6-172.5-58.1-22.6000113.3E110 M111 L112E110-H114 PolarHBondContact O-N 3.21Å; M111-H114 PolarHBondContact O-N 2.92Å; M111-H114 PolarHBondContact O-ND1 3.48Å; L112-H114 VanDerWaalsContact C-N 3.25Å; L112-H114 PolarHBondContact O-N 3.47Å
115S70.9Confident80.5Confident61 Ų6173.4 Ų73.443%0.42737%0.372SS..  trans-107.51.6-177.662.70000113.2E110 A113E110-S115 PolarHBondContact O-N 3.34Å; A113-S115 PolarHBondContact O-N 3.36Å
116H71.1Confident80.7Confident66 Ų6666.5 Ų66.531%0.30635%0.346SS..  trans-73.3144.9-1777989.7000112.4E110 Y118E110-H116 HydrophobicContact CB-CB 3.92Å; H116-Y118 HydrophobicContact CB-CD2 4.02Å
117H71.1Confident81.1Confident150 Ų15069.4 Ų69.469%0.69436%0.361SS*.  trans-110.15.7173.6-65.2-54.1000113.3
118Y78.4Confident81.6Confident15 Ų1572.3 Ų72.36%0.05938%0.376CS..  trans-72.9146-176.1-53.9-64.3000113.3E110 H116 Y143 E146 I147E110-Y118 WeakPolarHBondContact OE2-CE2 3.48Å; H116-Y118 HydrophobicContact CB-CD2 4.02Å; Y118-Y143 AromaticContact CD1-CD1 3.47Å; Y118-Y143 HydrophobicContact CD1-CD1 3.47Å; Y118-Y143 VanDerWaalsContact CD1-CD1 3.47Å; Y118-Y143 AromaticContact CD1-CE1 3.68Å; Y118-Y143 HydrophobicContact CD1-CE1 3.68Å; Y118-Y143 HydrophobicContact CD2-CD1 4.06Å; Y118-Y143 AromaticContact CD2-CE1 3.52Å; Y118-Y143 HydrophobicContact CD2-CE1 3.52Å; Y118-Y143 AromaticContact CE1-CD1 3.57Å; Y118-Y143 HydrophobicContact CE1-CD1 3.57Å; Y118-Y143 HydrophobicContact CE1-CE1 4.06Å; Y118-Y143 HydrophobicContact CE2-CD1 4.14Å; Y118-Y143 AromaticContact CE2-CE1 3.9Å; Y118-Y143 HydrophobicContact CE2-CE1 3.9Å; Y118-Y143 AromaticContact CG-CD1 3.74Å; Y118-Y143 HydrophobicContact CG-CD1 3.74Å; Y118-Y143 AromaticContact CG-CE1 3.4Å; Y118-Y143 HydrophobicContact CG-CE1 3.4Å; Y118-Y143 VanDerWaalsContact CG-CE1 3.4Å; Y118-Y143 AromaticContact CZ-CD1 3.92Å; Y118-E146 WeakPolarHBondContact CA-OE2 3.34Å; Y118-E146 HydrophobicContact CD1-CB 4.37Å; Y118-I147 HydrophobicContact CE1-CD1 4.38Å; Y118-I147 HydrophobicContact CE1-CG1 3.86Å
119T84.1Confident81.9Confident60 Ų6071.2 Ų71.237%0.36837%0.37SS..  trans-64.9152.5174.967.20000111.3E121 A122 L123 E146T119-E121 WeakPolarHBondContact CB-OE2 3.43Å; T119-E121 PolarHBondContact O-N 3.26Å; T119-A122 PolarHBondContact O-N 3.19Å; T119-A122 WeakPolarHBondContact OG1-CB 3.37Å; T119-A122 PolarHBondContact OG1-N 2.96Å; T119-L123 WeakPolarHBondContact O-CG 3.41Å; T119-L123 PolarHBondContact O-N 3.35Å; T119-E146 VanDerWaalsContact CB-OE1 3.31Å; T119-E146 WeakPolarHBondContact CB-OE1 3.37Å; T119-E146 WeakPolarHBondContact CG2-OE1 3.25Å; T119-E146 PolarHBondContact N-OE2 3.39Å; T119-E146 PolarHBondContact OG1-OE1 3.46Å
120K84.6Confident82.3Confident158 Ų15869.5 Ų69.569%0.68736%0.355SS*.Hα-helixtrans-62.7-34177.2-171.9178.3178.7-177.60110.7L123 V124K120-L123 PolarHBondContact O-N 2.73Å; K120-V124 HydrophobicContact CG-CG2 4.44Å; K120-V124 VanDerWaalsContact O-CG2 3.29Å; K120-V124 WeakPolarHBondContact O-CG2 3.46Å; K120-V124 PolarHBondContact O-N 2.72Å
121E86.2Confident82.9Confident138 Ų13874 Ų7465%0.64538%0.378SS*.Hα-helixtrans-62.7-46.4177.6-65.470.5-155.700111.4T119 V124 H125T119-E121 WeakPolarHBondContact CB-OE2 3.43Å; T119-E121 PolarHBondContact O-N 3.26Å; E121-V124 PolarHBondContact O-N 3.33Å; E121-H125 VanDerWaalsContact O-CB 3.31Å; E121-H125 WeakPolarHBondContact O-CB 3.32Å; E121-H125 PolarHBondContact O-N 3.49Å
122A85.1Confident83.3Confident2 Ų278.4 Ų78.42%0.01740%0.395CS..Hα-helixtrans-63-43.6176.300000112.1T119 H125 V126 P142 Y143 E146T119-A122 PolarHBondContact O-N 3.19Å; T119-A122 WeakPolarHBondContact OG1-CB 3.37Å; T119-A122 PolarHBondContact OG1-N 2.96Å; A122-H125 PolarHBondContact O-N 2.89Å; A122-V126 PolarHBondContact O-N 3.09Å; A122-P142 HydrophobicContact CB-CB 3.96Å; A122-Y143 HydrophobicContact CB-CD2 4.24Å; A122-Y143 HydrophobicContact CB-CE2 4.01Å; A122-Y143 VanDerWaalsContact O-CE2 3.24Å; A122-Y143 WeakPolarHBondContact O-CE2 3.27Å; A122-E146 WeakPolarHBondContact CB-OE1 3.36Å
123L84.7Confident83.4Confident18 Ų1873.3 Ų73.39%0.09437%0.374CS..Hα-helixtrans-57.7-51.7176.4-71.2161.6000112.2I107 M111 T119 K120 H125 Q127 Y143I107-L123 HydrophobicContact CG2-CD2 3.63Å; M111-L123 HydrophobicContact CE-CD2 4.39Å; M111-L123 HydrophobicContact CG-CD2 4.03Å; M111-L123 HydrophobicContact SD-CD2 3.59Å; M111-L123 VanDerWaalsContact SD-CD2 3.59Å; T119-L123 WeakPolarHBondContact O-CG 3.41Å; T119-L123 PolarHBondContact O-N 3.35Å; K120-L123 PolarHBondContact O-N 2.73Å; L123-H125 VanDerWaalsContact C-N 3.34Å; L123-H125 PolarHBondContact O-N 2.86Å; L123-Q127 WeakPolarHBondContact O-CB 3.37Å; L123-Q127 PolarHBondContact O-N 2.87Å; L123-Q127 VanDerWaalsContact O-N 3.1Å; L123-Y143 VanDerWaalsContact CA-OH 3.28Å; L123-Y143 WeakPolarHBondContact CA-OH 3.05Å; L123-Y143 WeakPolarHBondContact CD2-OH 3.45Å
124V87.8Confident83.7Confident62 Ų6274.3 Ų74.338%0.37637%0.37SS..Hα-helixtrans-64.2-40.4179.3172.90000111.1K120 E121 V126 Q127 D128K120-V124 HydrophobicContact CG-CG2 4.44Å; K120-V124 VanDerWaalsContact O-CG2 3.29Å; K120-V124 WeakPolarHBondContact O-CG2 3.46Å; K120-V124 PolarHBondContact O-N 2.72Å; E121-V124 PolarHBondContact O-N 3.33Å; V124-V126 PolarHBondContact O-N 3.48Å; V124-Q127 PolarHBondContact O-N 3.41Å; V124-D128 WeakPolarHBondContact O-CB 3.46Å; V124-D128 PolarHBondContact O-N 3.02Å
125H89.1Confident84.2Confident67 Ų6766.2 Ų66.231%0.3133%0.332SS..Hα-helixtrans-56.8-50.7179.6177.884.6000112.5E121 A122 L123 H129 L139E121-H125 VanDerWaalsContact O-CB 3.31Å; E121-H125 WeakPolarHBondContact O-CB 3.32Å; E121-H125 PolarHBondContact O-N 3.49Å; A122-H125 PolarHBondContact O-N 2.89Å; L123-H125 VanDerWaalsContact C-N 3.34Å; L123-H125 PolarHBondContact O-N 2.86Å; H125-H129 AromaticContact CE1-CE1 3.3Å; H125-H129 PolarHBondContact CE1-CE1 3.19Å; H125-H129 AromaticContact CE1-ND1 3.77Å; H125-H129 AromaticContact ND1-CE1 3.7Å; H125-H129 AromaticContact ND1-ND1 3.97Å; H125-H129 AromaticContact NE2-CE1 3.74Å; H125-H129 AromaticContact NE2-ND1 3.86Å; H125-H129 PolarHBondContact O-N 3.04Å; H125-H129 PolarHBondContact O-ND1 3.26Å; H125-L139 PolarHBondContact CD2-O 3.11Å
126V87Confident84.8Confident0 Ų064.8 Ų64.80%032%0.321CS..Hα-helixtrans-69.4-41.5-179.7168.80000111.2Y103 I107 A122 V124 D128 H129 L130 L139 F140 Y143Y103-V126 HydrophobicContact CD2-CG1 3.93Å; I107-V126 HydrophobicContact CD1-CG1 4.44Å; A122-V126 PolarHBondContact O-N 3.09Å; V124-V126 PolarHBondContact O-N 3.48Å; V126-D128 VanDerWaalsContact C-N 3.34Å; V126-D128 PolarHBondContact O-N 3.43Å; V126-H129 PolarHBondContact O-N 3.26Å; V126-L130 HydrophobicContact CG1-CD1 3.75Å; V126-L130 HydrophobicContact CG1-CG 4.19Å; V126-L130 WeakPolarHBondContact O-CB 3.34Å; V126-L130 WeakPolarHBondContact O-CG 3.32Å; V126-L130 PolarHBondContact O-N 2.68Å; V126-L139 HydrophobicContact CG2-CD1 4.19Å; V126-L139 HydrophobicContact CG2-CG 4.37Å; V126-F140 HydrophobicContact CG1-CD1 4.37Å; V126-F140 HydrophobicContact CG1-CE1 3.76Å; V126-F140 HydrophobicContact CG1-CZ 4.4Å; V126-F140 HydrophobicContact CG2-CD1 3.96Å; V126-F140 HydrophobicContact CG2-CE1 4.19Å; V126-Y143 HydrophobicContact CB-CE2 3.88Å; V126-Y143 HydrophobicContact CG2-CD2 3.58Å; V126-Y143 HydrophobicContact CG2-CE2 3.32Å
127Q87.8Confident85.3Confident86 Ų8664.4 Ų64.440%0.40233%0.326SS..Hα-helixtrans-60.3-43.5179.1-171.2178.16.200111.9L123 V124 H129 L130 M131L123-Q127 WeakPolarHBondContact O-CB 3.37Å; L123-Q127 PolarHBondContact O-N 2.87Å; L123-Q127 VanDerWaalsContact O-N 3.1Å; V124-Q127 PolarHBondContact O-N 3.41Å; Q127-H129 PolarHBondContact O-N 3.02Å; Q127-L130 PolarHBondContact O-N 2.91Å; Q127-M131 WeakPolarHBondContact O-CG 3.22Å; Q127-M131 PolarHBondContact O-N 2.66Å
128D89.9Confident85.8Confident64 Ų6461.7 Ų61.734%0.34232%0.317SS..Hα-helixtrans-63.8-41.2179.6-83.2-4.2000112.6V124 V126 M131 K132V124-D128 WeakPolarHBondContact O-CB 3.46Å; V124-D128 PolarHBondContact O-N 3.02Å; V126-D128 VanDerWaalsContact C-N 3.34Å; V126-D128 PolarHBondContact O-N 3.43Å; D128-M131 PolarHBondContact O-N 3.06Å; D128-K132 VanDerWaalsContact O-CG 3.29Å; D128-K132 WeakPolarHBondContact O-CG 3.5Å; D128-K132 PolarHBondContact O-N 3.23Å; D128-K132 VanDerWaalsContact O-N 3.11Å
129H89.6Confident86.2Confident37 Ų3761 Ų6117%0.17131%0.314CS..Hα-helixtrans-69-42.9177.5-7987000112H125 V126 Q127 M131 K132 G133 D134 L139H125-H129 AromaticContact CE1-CE1 3.3Å; H125-H129 PolarHBondContact CE1-CE1 3.19Å; H125-H129 AromaticContact CE1-ND1 3.77Å; H125-H129 AromaticContact ND1-CE1 3.7Å; H125-H129 AromaticContact ND1-ND1 3.97Å; H125-H129 AromaticContact NE2-CE1 3.74Å; H125-H129 AromaticContact NE2-ND1 3.86Å; H125-H129 PolarHBondContact O-N 3.04Å; H125-H129 PolarHBondContact O-ND1 3.26Å; V126-H129 PolarHBondContact O-N 3.26Å; Q127-H129 PolarHBondContact O-N 3.02Å; H129-M131 VanDerWaalsContact C-N 3.28Å; H129-M131 PolarHBondContact O-N 3.2Å; H129-K132 PolarHBondContact O-N 3.28Å; H129-K132 VanDerWaalsContact O-N 3.13Å; H129-G133 PolarHBondContact O-N 3.1Å; H129-D134 WeakPolarHBondContact CB-O 3.34Å; H129-D134 PolarHBondContact CD2-O 2.86Å; H129-D134 PolarHBondContact O-N 2.93Å; H129-L139 HydrophobicContact CB-CD1 3.3Å
130L88.9Confident86.2Confident11 Ų1158.2 Ų58.26%0.05830%0.297CS..Hα-helixtrans-61.4-34.6174.5-74.4176.3000112.8L96 A99 R100 Y103 V126 Q127 T135L96-L130 HydrophobicContact CD1-CD2 4.34Å; A99-L130 HydrophobicContact CB-CD2 3.65Å; R100-L130 HydrophobicContact CG-CD2 4.11Å; R100-L130 PolarHBondContact NH2-O 2.93Å; R100-L130 VanDerWaalsContact NH2-O 3.14Å; Y103-L130 HydrophobicContact CD1-CD1 4.16Å; Y103-L130 HydrophobicContact CD2-CD1 3.74Å; Y103-L130 HydrophobicContact CE2-CD1 4.42Å; Y103-L130 HydrophobicContact CG-CD1 3.59Å; V126-L130 HydrophobicContact CG1-CD1 3.75Å; V126-L130 HydrophobicContact CG1-CG 4.19Å; V126-L130 WeakPolarHBondContact O-CB 3.34Å; V126-L130 WeakPolarHBondContact O-CG 3.32Å; V126-L130 PolarHBondContact O-N 2.68Å; Q127-L130 PolarHBondContact O-N 2.91Å; L130-T135 HydrophobicContact CD2-CG2 4.32Å
131M88.7Confident86.1Confident134 Ų13454.8 Ų54.866%0.6628%0.284SS*.Hα-helixtrans-70.2-36.2173.9-75.4-162.7-63.600112.6Q127 D128 H129 G133Q127-M131 WeakPolarHBondContact O-CG 3.22Å; Q127-M131 PolarHBondContact O-N 2.66Å; D128-M131 PolarHBondContact O-N 3.06Å; H129-M131 VanDerWaalsContact C-N 3.28Å; H129-M131 PolarHBondContact O-N 3.2Å; M131-G133 VanDerWaalsContact C-N 3.32Å
132K88.5Confident85.9Confident150 Ų15050.2 Ų50.265%0.65227%0.266SS*.Hα-helixtrans-77.5-17.2177.7-69.9168.7-172.8169.10113.4D128 H129 D134D128-K132 VanDerWaalsContact O-CG 3.29Å; D128-K132 WeakPolarHBondContact O-CG 3.5Å; D128-K132 PolarHBondContact O-N 3.23Å; D128-K132 VanDerWaalsContact O-N 3.11Å; H129-K132 PolarHBondContact O-N 3.28Å; H129-K132 VanDerWaalsContact O-N 3.13Å; K132-D134 HydrophobicContact CB-CB 4.4Å; K132-D134 PolarHBondContact O-N 3.03Å
133G85.1Confident85.7Confident23 Ų2350.2 Ų50.224%0.23727%0.265CS..THydrogen-bonded Turntrans72.712.1-173.500000113.6N92 H129 M131N92-G133 PolarHBondContact ND2-O 3.46Å; H129-G133 PolarHBondContact O-N 3.1Å; M131-G133 VanDerWaalsContact C-N 3.32Å
134D85Confident85.3Confident89 Ų8951 Ų5148%0.47627%0.27SS..  trans-98.3103.6177.5-175.914.6000108.3H129 K132 P136H129-D134 WeakPolarHBondContact CB-O 3.34Å; H129-D134 PolarHBondContact CD2-O 2.86Å; H129-D134 PolarHBondContact O-N 2.93Å; K132-D134 HydrophobicContact CB-CB 4.4Å; K132-D134 PolarHBondContact O-N 3.03Å; D134-P136 VanDerWaalsContact O-CD 3.26Å; D134-P136 WeakPolarHBondContact O-CD 3.48Å
135T84.9Confident84.9Confident0 Ų051 Ų510%027%0.271CS..  trans-113.885.9-177.653.70000109.1N92 R95 L96 A99 L130 L139N92-T135 PolarHBondContact O-OG1 3.47Å; N92-T135 WeakPolarHBondContact OD1-CA 3.48Å; N92-T135 PolarHBondContact OD1-N 2.62Å; N92-T135 PolarHBondContact OD1-O 3.09Å; N92-T135 PolarHBondContact OD1-OG1 3.33Å; R95-T135 WeakPolarHBondContact CB-OG1 3.48Å; R95-T135 PolarHBondContact NE-O 3.1Å; R95-T135 PolarHBondContact NH2-O 3.19Å; L96-T135 HydrophobicContact CB-CG2 4.21Å; L96-T135 HydrophobicContact CD1-CG2 3.7Å; L96-T135 PolarHBondContact N-OG1 3.25Å; A99-T135 HydrophobicContact CB-CG2 4.17Å; L130-T135 HydrophobicContact CD2-CG2 4.32Å; T135-L139 HydrophobicContact CG2-CD2 3.83Å
136P84.2Confident84.5Confident30 Ų3049.5 Ų49.520%0.19526%0.264CS..  trans-68.1159.2174.432.7-37.9000110.2F86 D134 D138 L139F86-P136 WeakPolarHBondContact CE1-O 3.25Å; F86-P136 WeakPolarHBondContact CZ-O 3.31Å; D134-P136 VanDerWaalsContact O-CD 3.26Å; D134-P136 WeakPolarHBondContact O-CD 3.48Å; P136-D138 VanDerWaalsContact CB-OD1 3.27Å; P136-D138 WeakPolarHBondContact CB-OD1 3.5Å; P136-D138 WeakPolarHBondContact CG-OD1 3.36Å; P136-D138 PolarHBondContact O-N 3.17Å; P136-D138 VanDerWaalsContact O-N 3.16Å; P136-L139 HydrophobicContact CG-CB 4.25Å; P136-L139 WeakPolarHBondContact O-CB 3.41Å; P136-L139 PolarHBondContact O-N 2.78Å
137S80Confident83.9Confident59 Ų5950.2 Ų50.241%0.41327%0.268SS..THydrogen-bonded Turntrans-61.4-24.6-178.345.40000113.1F86F86-S137 WeakPolarHBondContact CE1-O 3.48Å
138D82.8Confident83.3Confident92 Ų9249 Ų4949%0.49226%0.26SS..THydrogen-bonded Turntrans-98.214.4178.765.4-19.3000112.8P136 F140 Q141P136-D138 VanDerWaalsContact CB-OD1 3.27Å; P136-D138 WeakPolarHBondContact CB-OD1 3.5Å; P136-D138 WeakPolarHBondContact CG-OD1 3.36Å; P136-D138 PolarHBondContact O-N 3.17Å; P136-D138 VanDerWaalsContact O-N 3.16Å; D138-F140 PolarHBondContact O-N 3.07Å; D138-F140 VanDerWaalsContact O-N 3.12Å; D138-Q141 HydrophobicContact CB-CB 4.11Å; D138-Q141 WeakPolarHBondContact O-CB 3.48Å; D138-Q141 PolarHBondContact O-N 2.8Å
139L86Confident82.9Confident0 Ų050.6 Ų50.60%027%0.268CS..THydrogen-bonded Turntrans-48.1-43.2178.7171.160.8000113.2F86 A99 H125 V126 H129 T135 P136 Q141F86-L139 HydrophobicContact CE1-CB 3.89Å; F86-L139 HydrophobicContact CE2-CD2 4.41Å; F86-L139 HydrophobicContact CZ-CB 3.76Å; F86-L139 HydrophobicContact CZ-CD2 3.93Å; F86-L139 HydrophobicContact CZ-CG 4.42Å; A99-L139 HydrophobicContact CB-CD2 3.83Å; H125-L139 PolarHBondContact CD2-O 3.11Å; V126-L139 HydrophobicContact CG2-CD1 4.19Å; V126-L139 HydrophobicContact CG2-CG 4.37Å; H129-L139 HydrophobicContact CB-CD1 3.3Å; T135-L139 HydrophobicContact CG2-CD2 3.83Å; P136-L139 HydrophobicContact CG-CB 4.25Å; P136-L139 WeakPolarHBondContact O-CB 3.41Å; P136-L139 PolarHBondContact O-N 2.78Å; L139-Q141 VanDerWaalsContact C-N 3.34Å
140F84.6Confident82.3Confident2 Ų252 Ų521%0.00928%0.275CS..THydrogen-bonded Turntrans-90.66.2-178.8-65.5-75.9000112.8I83 F86 A99 I102 I107 V126 D138 P142 Y143 V144I83-F140 HydrophobicContact CD1-CB 4.22Å; I83-F140 HydrophobicContact CG1-CB 4.1Å; I83-F140 HydrophobicContact CG1-CG 4.33Å; I83-F140 HydrophobicContact CG2-CB 3.64Å; I83-F140 HydrophobicContact CG2-CG 4.37Å; F86-F140 AromaticContact CD1-CD2 3.5Å; F86-F140 HydrophobicContact CD1-CD2 3.5Å; F86-F140 AromaticContact CD1-CE2 3.95Å; F86-F140 HydrophobicContact CD1-CE2 3.95Å; F86-F140 HydrophobicContact CD2-CD2 4.23Å; F86-F140 AromaticContact CD2-CE2 3.8Å; F86-F140 HydrophobicContact CD2-CE2 3.8Å; F86-F140 AromaticContact CE1-CD2 3.6Å; F86-F140 HydrophobicContact CE1-CD2 3.6Å; F86-F140 AromaticContact CE1-CE2 3.99Å; F86-F140 HydrophobicContact CE1-CE2 3.99Å; F86-F140 HydrophobicContact CE2-CD2 4.33Å; F86-F140 AromaticContact CE2-CE2 3.86Å; F86-F140 HydrophobicContact CE2-CE2 3.86Å; F86-F140 AromaticContact CG-CD2 3.83Å; F86-F140 HydrophobicContact CG-CD2 3.83Å; F86-F140 AromaticContact CG-CE2 3.84Å; F86-F140 HydrophobicContact CG-CE2 3.84Å; F86-F140 HydrophobicContact CZ-CD2 4.02Å; F86-F140 AromaticContact CZ-CE2 3.94Å; F86-F140 HydrophobicContact CZ-CE2 3.94Å; A99-F140 HydrophobicContact CB-CE2 3.76Å; A99-F140 HydrophobicContact CB-CZ 3.78Å; I102-F140 HydrophobicContact CB-CE1 4.48Å; I102-F140 HydrophobicContact CB-CE2 4.5Å; I102-F140 HydrophobicContact CB-CZ 4.01Å; I102-F140 HydrophobicContact CD1-CE2 4.12Å; I102-F140 HydrophobicContact CD1-CZ 4.48Å; I102-F140 HydrophobicContact CG2-CD1 4.4Å; I102-F140 HydrophobicContact CG2-CE1 3.82Å; I102-F140 HydrophobicContact CG2-CE2 4.4Å; I102-F140 HydrophobicContact CG2-CZ 3.82Å; I107-F140 HydrophobicContact CD1-CD1 4.33Å; I107-F140 HydrophobicContact CD1-CE1 3.91Å; V126-F140 HydrophobicContact CG1-CD1 4.37Å; V126-F140 HydrophobicContact CG1-CE1 3.76Å; V126-F140 HydrophobicContact CG1-CZ 4.4Å; V126-F140 HydrophobicContact CG2-CD1 3.96Å; V126-F140 HydrophobicContact CG2-CE1 4.19Å; D138-F140 PolarHBondContact O-N 3.07Å; D138-F140 VanDerWaalsContact O-N 3.12Å; F140-P142 VanDerWaalsContact C-CD 3.43Å; F140-P142 VanDerWaalsContact C-N 3.31Å; F140-Y143 HydrophobicContact CD1-CD2 4.32Å; F140-Y143 CarbonylContact O-C 3.59Å; F140-Y143 WeakPolarHBondContact O-CA 3.48Å; F140-Y143 WeakPolarHBondContact O-CB 3.42Å; F140-Y143 PolarHBondContact O-N 3.32Å; F140-V144 WeakPolarHBondContact O-CG2 3.29Å; F140-V144 PolarHBondContact O-N 2.98Å
141Q82Confident81.9Confident87 Ų8751.7 Ų51.741%0.40727%0.274SS..Hα-helixtrans-53.9-38.8-177.4-172.462.237.700113.8D138 L139 V144 T145D138-Q141 HydrophobicContact CB-CB 4.11Å; D138-Q141 WeakPolarHBondContact O-CB 3.48Å; D138-Q141 PolarHBondContact O-N 2.8Å; L139-Q141 VanDerWaalsContact C-N 3.34Å; Q141-V144 PolarHBondContact O-N 2.97Å; Q141-T145 WeakPolarHBondContact O-CB 3.44Å; Q141-T145 PolarHBondContact O-N 3.19Å; Q141-T145 PolarHBondContact O-OG1 2.75Å
142P83Confident81.7Confident41 Ų4150 Ų5027%0.26626%0.263SS..Hα-helixtrans-60.1-45.2172.2-24.635.9000112.4A122 F140 T145 E146A122-P142 HydrophobicContact CB-CB 3.96Å; F140-P142 VanDerWaalsContact C-CD 3.43Å; F140-P142 VanDerWaalsContact C-N 3.31Å; P142-T145 PolarHBondContact O-N 3.12Å; P142-E146 WeakPolarHBondContact O-CG 3.37Å; P142-E146 PolarHBondContact O-N 3.09Å
143Y80Confident81.4Confident2 Ų244.4 Ų44.41%0.00825%0.247CC..Hα-helixtrans-64-44.4175.1-78.5-93.1000112.2I107 Y118 A122 L123 V126 F140 T145 E146 I147I107-Y143 HydrophobicContact CD1-CD1 4.17Å; I107-Y143 HydrophobicContact CD1-CD2 4.44Å; I107-Y143 HydrophobicContact CD1-CE1 3.67Å; I107-Y143 HydrophobicContact CD1-CE2 3.98Å; I107-Y143 HydrophobicContact CG1-CD1 4.36Å; I107-Y143 HydrophobicContact CG1-CE1 3.76Å; I107-Y143 HydrophobicContact CG2-CE1 4.21Å; I107-Y143 WeakPolarHBondContact CG2-OH 3.42Å; Y118-Y143 AromaticContact CD1-CD1 3.47Å; Y118-Y143 HydrophobicContact CD1-CD1 3.47Å; Y118-Y143 VanDerWaalsContact CD1-CD1 3.47Å; Y118-Y143 AromaticContact CD1-CE1 3.68Å; Y118-Y143 HydrophobicContact CD1-CE1 3.68Å; Y118-Y143 HydrophobicContact CD2-CD1 4.06Å; Y118-Y143 AromaticContact CD2-CE1 3.52Å; Y118-Y143 HydrophobicContact CD2-CE1 3.52Å; Y118-Y143 AromaticContact CE1-CD1 3.57Å; Y118-Y143 HydrophobicContact CE1-CD1 3.57Å; Y118-Y143 HydrophobicContact CE1-CE1 4.06Å; Y118-Y143 HydrophobicContact CE2-CD1 4.14Å; Y118-Y143 AromaticContact CE2-CE1 3.9Å; Y118-Y143 HydrophobicContact CE2-CE1 3.9Å; Y118-Y143 AromaticContact CG-CD1 3.74Å; Y118-Y143 HydrophobicContact CG-CD1 3.74Å; Y118-Y143 AromaticContact CG-CE1 3.4Å; Y118-Y143 HydrophobicContact CG-CE1 3.4Å; Y118-Y143 VanDerWaalsContact CG-CE1 3.4Å; Y118-Y143 AromaticContact CZ-CD1 3.92Å; A122-Y143 HydrophobicContact CB-CD2 4.24Å; A122-Y143 HydrophobicContact CB-CE2 4.01Å; A122-Y143 VanDerWaalsContact O-CE2 3.24Å; A122-Y143 WeakPolarHBondContact O-CE2 3.27Å; L123-Y143 VanDerWaalsContact CA-OH 3.28Å; L123-Y143 WeakPolarHBondContact CA-OH 3.05Å; L123-Y143 WeakPolarHBondContact CD2-OH 3.45Å; V126-Y143 HydrophobicContact CB-CE2 3.88Å; V126-Y143 HydrophobicContact CG2-CD2 3.58Å; V126-Y143 HydrophobicContact CG2-CE2 3.32Å; F140-Y143 HydrophobicContact CD1-CD2 4.32Å; F140-Y143 CarbonylContact O-C 3.59Å; F140-Y143 WeakPolarHBondContact O-CA 3.48Å; F140-Y143 WeakPolarHBondContact O-CB 3.42Å; F140-Y143 PolarHBondContact O-N 3.32Å; Y143-T145 PolarHBondContact O-N 3.22Å; Y143-E146 PolarHBondContact O-N 2.97Å; Y143-I147 WeakPolarHBondContact O-CB 3.3Å; Y143-I147 VanDerWaalsContact O-CD1 3.3Å; Y143-I147 WeakPolarHBondContact O-CD1 3.45Å; Y143-I147 WeakPolarHBondContact O-CG1 3.24Å; Y143-I147 PolarHBondContact O-N 3.3Å
144V75.6Confident81.3Confident34 Ų3449.6 Ų49.621%0.20627%0.265CS..Hα-helixtrans-55.9-45.8176.8174.30000109.4I83 F140 Q141 I147 Y148I83-V144 HydrophobicContact CB-CG2 4.07Å; I83-V144 HydrophobicContact CD1-CG2 3.89Å; I83-V144 HydrophobicContact CG2-CG2 3.32Å; F140-V144 WeakPolarHBondContact O-CG2 3.29Å; F140-V144 PolarHBondContact O-N 2.98Å; Q141-V144 PolarHBondContact O-N 2.97Å; V144-I147 PolarHBondContact O-N 2.65Å; V144-Y148 WeakPolarHBondContact O-CB 3.24Å; V144-Y148 PolarHBondContact O-N 3.24Å
145T80.1Confident81.4Confident64 Ų6446.5 Ų46.539%0.39325%0.248SC..Hα-helixtrans-61.4-47.5179.2-52.30000111.1Q141 P142 Y143 Y148 D149Q141-T145 WeakPolarHBondContact O-CB 3.44Å; Q141-T145 PolarHBondContact O-N 3.19Å; Q141-T145 PolarHBondContact O-OG1 2.75Å; P142-T145 PolarHBondContact O-N 3.12Å; Y143-T145 PolarHBondContact O-N 3.22Å; T145-Y148 WeakPolarHBondContact O-CB 3.48Å; T145-Y148 PolarHBondContact O-N 2.78Å; T145-D149 PolarHBondContact O-N 3.5Å
146E79.9Confident81.7Confident34 Ų3447.2 Ų47.216%0.15925%0.252CS..Hα-helixtrans-66.1-42.7179.1-70.3179.6-159.600113Y118 T119 A122 P142 Y143 Y148 D149 Q150Y118-E146 WeakPolarHBondContact CA-OE2 3.34Å; Y118-E146 HydrophobicContact CD1-CB 4.37Å; T119-E146 VanDerWaalsContact CB-OE1 3.31Å; T119-E146 WeakPolarHBondContact CB-OE1 3.37Å; T119-E146 WeakPolarHBondContact CG2-OE1 3.25Å; T119-E146 PolarHBondContact N-OE2 3.39Å; T119-E146 PolarHBondContact OG1-OE1 3.46Å; A122-E146 WeakPolarHBondContact CB-OE1 3.36Å; P142-E146 WeakPolarHBondContact O-CG 3.37Å; P142-E146 PolarHBondContact O-N 3.09Å; Y143-E146 PolarHBondContact O-N 2.97Å; E146-Y148 VanDerWaalsContact C-N 3.3Å; E146-Y148 PolarHBondContact O-N 2.89Å; E146-D149 PolarHBondContact O-N 3.11Å; E146-Q150 WeakPolarHBondContact O-CG 3.12Å; E146-Q150 PolarHBondContact O-N 2.58Å
147I75Confident82Confident16 Ų1650.2 Ų50.28%0.08227%0.266CS..Hα-helixtrans-62.2-42.3174.2-66.7158.7000109.8P81 I83 Y118 Y143 V144 D149 Q150 L151P81-I147 HydrophobicContact CB-CD1 4.39Å; P81-I147 HydrophobicContact CG-CD1 3.63Å; I83-I147 HydrophobicContact CD1-CD1 3.5Å; I83-I147 VanDerWaalsContact CD1-CD1 3.5Å; Y118-I147 HydrophobicContact CE1-CD1 4.38Å; Y118-I147 HydrophobicContact CE1-CG1 3.86Å; Y143-I147 WeakPolarHBondContact O-CB 3.3Å; Y143-I147 VanDerWaalsContact O-CD1 3.3Å; Y143-I147 WeakPolarHBondContact O-CD1 3.45Å; Y143-I147 WeakPolarHBondContact O-CG1 3.24Å; Y143-I147 PolarHBondContact O-N 3.3Å; V144-I147 PolarHBondContact O-N 2.65Å; I147-D149 VanDerWaalsContact C-N 3.32Å; I147-D149 PolarHBondContact O-N 3.06Å; I147-Q150 PolarHBondContact O-N 2.85Å; I147-L151 HydrophobicContact CG2-CD1 3.76Å; I147-L151 HydrophobicContact CG2-CG 4.12Å; I147-L151 WeakPolarHBondContact O-CB 3.33Å; I147-L151 VanDerWaalsContact O-CG 3.23Å; I147-L151 WeakPolarHBondContact O-CG 3.07Å; I147-L151 PolarHBondContact O-N 3.16Å
148Y76.5Confident82.5Confident59 Ų5952 Ų5223%0.23127%0.267CS..Hα-helixtrans-62.1-42.2179.1-162.6-90.4000111.3F55 Q56 F59 V144 T145 E146 L151 K152F55-Y148 HydrophobicContact CD1-CD1 4.17Å; F55-Y148 AromaticContact CD1-CE1 3.61Å; F55-Y148 HydrophobicContact CD1-CE1 3.61Å; F55-Y148 HydrophobicContact CD1-CE2 4.04Å; F55-Y148 AromaticContact CD1-CZ 3.53Å; F55-Y148 AromaticContact CE1-CD1 3.63Å; F55-Y148 HydrophobicContact CE1-CD1 3.63Å; F55-Y148 AromaticContact CE1-CD2 3.51Å; F55-Y148 HydrophobicContact CE1-CD2 3.51Å; F55-Y148 AromaticContact CE1-CE1 3.44Å; F55-Y148 HydrophobicContact CE1-CE1 3.44Å; F55-Y148 VanDerWaalsContact CE1-CE1 3.44Å; F55-Y148 AromaticContact CE1-CE2 3.32Å; F55-Y148 HydrophobicContact CE1-CE2 3.32Å; F55-Y148 AromaticContact CE1-CG 3.65Å; F55-Y148 HydrophobicContact CE1-CG 3.65Å; F55-Y148 AromaticContact CE1-CZ 3.27Å; F55-Y148 WeakPolarHBondContact CE1-O 3.32Å; F55-Y148 HydrophobicContact CZ-CD2 4.03Å; F55-Y148 AromaticContact CZ-CE2 3.99Å; F55-Y148 HydrophobicContact CZ-CE2 3.99Å; F55-Y148 HydrophobicContact CZ-CG 4.41Å; Q56-Y148 VanDerWaalsContact CA-OH 3.24Å; Q56-Y148 WeakPolarHBondContact CA-OH 3.39Å; Q56-Y148 HydrophobicContact CG-CE1 4.46Å; Q56-Y148 WeakPolarHBondContact CG-OH 3.47Å; F59-Y148 HydrophobicContact CD1-CD2 4.36Å; F59-Y148 AromaticContact CD1-CE2 3.76Å; F59-Y148 HydrophobicContact CD1-CE2 3.76Å; F59-Y148 HydrophobicContact CE1-CD2 4.27Å; F59-Y148 HydrophobicContact CE1-CE2 4.09Å; F59-Y148 HydrophobicContact CG-CE2 4.41Å; V144-Y148 WeakPolarHBondContact O-CB 3.24Å; V144-Y148 PolarHBondContact O-N 3.24Å; T145-Y148 WeakPolarHBondContact O-CB 3.48Å; T145-Y148 PolarHBondContact O-N 2.78Å; E146-Y148 VanDerWaalsContact C-N 3.3Å; E146-Y148 PolarHBondContact O-N 2.89Å; Y148-L151 PolarHBondContact O-N 3.02Å; Y148-K152 WeakPolarHBondContact O-CB 3.47Å; Y148-K152 PolarHBondContact O-N 3.3Å
149D80.3Confident83Confident98 Ų9847.7 Ų47.752%0.52424%0.244SC..Hα-helixtrans-67.3-39.5176.4-75.6-23.9000112.3T145 E146 I147T145-D149 PolarHBondContact O-N 3.5Å; E146-D149 PolarHBondContact O-N 3.11Å; I147-D149 VanDerWaalsContact C-N 3.32Å; I147-D149 PolarHBondContact O-N 3.06Å
150Q78Confident83.4Confident66 Ų6649.2 Ų49.231%0.30825%0.251SS..Hα-helixtrans-63.4-47173.7-71.4172.815.800111.8E146 I147 K152 G153E146-Q150 WeakPolarHBondContact O-CG 3.12Å; E146-Q150 PolarHBondContact O-N 2.58Å; I147-Q150 PolarHBondContact O-N 2.85Å; Q150-K152 VanDerWaalsContact C-N 3.34Å; Q150-K152 PolarHBondContact O-N 3.19Å; Q150-G153 PolarHBondContact O-N 3.28Å
151L79.7Confident83.7Confident5 Ų554.7 Ų54.73%0.02628%0.277CS..Iπ-helixtrans-65.8-37-179.7-71.9177.9000112.1F55 F59 C72 I147 Y148 G153 I155 F156F55-L151 HydrophobicContact CE1-CB 4.36Å; F55-L151 HydrophobicContact CE2-CB 3.77Å; F55-L151 HydrophobicContact CZ-CB 3.5Å; F55-L151 HydrophobicContact CZ-CD1 4.21Å; F59-L151 HydrophobicContact CE2-CD1 4.24Å; C72-L151 VanDerWaalsContact SG-CD2 3.6Å; I147-L151 HydrophobicContact CG2-CD1 3.76Å; I147-L151 HydrophobicContact CG2-CG 4.12Å; I147-L151 WeakPolarHBondContact O-CB 3.33Å; I147-L151 VanDerWaalsContact O-CG 3.23Å; I147-L151 WeakPolarHBondContact O-CG 3.07Å; I147-L151 PolarHBondContact O-N 3.16Å; Y148-L151 PolarHBondContact O-N 3.02Å; L151-G153 PolarHBondContact O-N 2.95Å; L151-I155 HydrophobicContact CD2-CB 4.47Å; L151-I155 HydrophobicContact CD2-CD1 4.01Å; L151-I155 HydrophobicContact CD2-CG2 3.89Å; L151-F156 WeakPolarHBondContact O-CB 3.45Å; L151-F156 PolarHBondContact O-N 2.91Å
152K84.3Confident84.1Confident100 Ų10051.4 Ų51.444%0.43526%0.264SS..Iπ-helixtrans-64.9-24.7-177.3-178.9-178.9173.2-175.10113.9F55 Y148 Q150F55-K152 HydrophobicContact CB-CG 4.2Å; F55-K152 HydrophobicContact CD1-CB 3.63Å; F55-K152 HydrophobicContact CD1-CG 3.96Å; F55-K152 HydrophobicContact CE1-CB 3.99Å; F55-K152 HydrophobicContact CG-CB 4.12Å; F55-K152 HydrophobicContact CG-CG 4.32Å; Y148-K152 WeakPolarHBondContact O-CB 3.47Å; Y148-K152 PolarHBondContact O-N 3.3Å; Q150-K152 VanDerWaalsContact C-N 3.34Å; Q150-K152 PolarHBondContact O-N 3.19Å
153G82.5Confident84.6Confident32 Ų3254.9 Ų54.933%0.3328%0.277SS..Iπ-helixtrans-83.8-129.7-178.500000113.2Q150 L151 I155 F156 D157Q150-G153 PolarHBondContact O-N 3.28Å; L151-G153 PolarHBondContact O-N 2.95Å; G153-I155 PolarHBondContact O-N 3.38Å; G153-F156 PolarHBondContact O-N 2.98Å; G153-D157 PolarHBondContact O-N 2.91Å
154E83.9Confident85.3Confident131 Ų13157 Ų5761%0.61229%0.286SS*.Iπ-helixtrans-54.6-31.4-174.4-168.4-171.815500113.5D157 K158E154-D157 PolarHBondContact O-N 3.16Å; E154-K158 HydrophobicContact CG-CD 4.5Å; E154-K158 WeakPolarHBondContact O-CG 3.42Å; E154-K158 PolarHBondContact O-N 3.46Å; E154-K158 WeakPolarHBondContact OE1-CE 3.48Å; E154-K158 IonicContact OE1-NZ 3.58Å; E154-K158 PolarHBondContact OE1-NZ 2.9Å
155I86Confident86.3Confident24 Ų2455.4 Ų55.412%0.12328%0.276CS..Iπ-helixtrans-65.8-42.7178.4-60.1172.8000110.6F71 V78 L151 G153 K158 F159F71-I155 HydrophobicContact CE1-CG2 4.18Å; V78-I155 HydrophobicContact CB-CD1 4.46Å; V78-I155 HydrophobicContact CG1-CD1 4.19Å; V78-I155 HydrophobicContact CG2-CD1 3.92Å; L151-I155 HydrophobicContact CD2-CB 4.47Å; L151-I155 HydrophobicContact CD2-CD1 4.01Å; L151-I155 HydrophobicContact CD2-CG2 3.89Å; G153-I155 PolarHBondContact O-N 3.38Å; I155-K158 PolarHBondContact O-N 3.31Å; I155-F159 PolarHBondContact O-N 3.11Å
156F91.2Very high87.1Confident15 Ų1553.1 Ų53.17%0.06626%0.262CS..Hα-helixtrans-67.1-38.6177-176.5-114.2000111.6F55 I58 L151 G153 K158 F159 L160F55-F156 HydrophobicContact CB-CD1 3.98Å; F55-F156 HydrophobicContact CB-CD2 4.04Å; F55-F156 HydrophobicContact CB-CE1 4.09Å; F55-F156 HydrophobicContact CB-CE2 4.14Å; F55-F156 HydrophobicContact CB-CG 3.94Å; F55-F156 HydrophobicContact CB-CZ 4.17Å; F55-F156 HydrophobicContact CD2-CB 4.23Å; F55-F156 AromaticContact CD2-CD2 3.62Å; F55-F156 HydrophobicContact CD2-CD2 3.62Å; F55-F156 HydrophobicContact CD2-CE2 4.17Å; F55-F156 HydrophobicContact CD2-CG 4Å; F55-F156 HydrophobicContact CG-CD2 4.31Å; F55-F156 HydrophobicContact CG-CG 4.4Å; F55-F156 VanDerWaalsContact N-CZ 3.29Å; I58-F156 HydrophobicContact CD1-CE2 4.1Å; I58-F156 HydrophobicContact CD1-CZ 3.95Å; L151-F156 WeakPolarHBondContact O-CB 3.45Å; L151-F156 PolarHBondContact O-N 2.91Å; G153-F156 PolarHBondContact O-N 2.98Å; F156-K158 VanDerWaalsContact C-N 3.35Å; F156-K158 PolarHBondContact O-N 3.08Å; F156-F159 AromaticContact CD2-CD1 3.89Å; F156-F159 HydrophobicContact CD2-CD1 3.89Å; F156-F159 AromaticContact CE2-CD1 3.8Å; F156-F159 HydrophobicContact CE2-CD1 3.8Å; F156-F159 HydrophobicContact CE2-CE1 4.17Å; F156-F159 WeakPolarHBondContact O-CB 3.31Å; F156-F159 PolarHBondContact O-N 3.42Å; F156-F159 VanDerWaalsContact O-N 3.13Å; F156-L160 HydrophobicContact CD1-CD1 4.08Å; F156-L160 HydrophobicContact CD1-CG 4.3Å; F156-L160 HydrophobicContact CE1-CD1 3.67Å; F156-L160 HydrophobicContact CE1-CD2 4.18Å; F156-L160 HydrophobicContact CE1-CG 3.95Å; F156-L160 HydrophobicContact CE2-CD2 4.22Å; F156-L160 HydrophobicContact CE2-CG 4.39Å; F156-L160 HydrophobicContact CZ-CD1 4.16Å; F156-L160 HydrophobicContact CZ-CD2 3.78Å; F156-L160 HydrophobicContact CZ-CG 4Å; F156-L160 WeakPolarHBondContact O-CG 3.37Å; F156-L160 PolarHBondContact O-N 2.84Å
157D90.9Very high87.9Confident94 Ų9452.1 Ų52.150%0.50326%0.257SS..Hα-helixtrans-60.6-45.1174-66.9-27.9000110.9G153 E154 F159 L160 E161G153-D157 PolarHBondContact O-N 2.91Å; E154-D157 PolarHBondContact O-N 3.16Å; D157-F159 VanDerWaalsContact C-N 3.32Å; D157-F159 PolarHBondContact O-N 2.74Å; D157-L160 PolarHBondContact O-N 2.89Å; D157-E161 PolarHBondContact O-N 3.24Å; D157-E161 VanDerWaalsContact O-N 3.13Å
158K91Very high89Confident97 Ų9751.4 Ų51.442%0.42225%0.253SS..Hα-helixtrans-62.7-36.9173.3-70.3174.1-179.21650112.5F71 E154 I155 F156 E161 S162F71-K158 HydrophobicContact CE1-CB 4.28Å; F71-K158 HydrophobicContact CZ-CB 3.79Å; E154-K158 HydrophobicContact CG-CD 4.5Å; E154-K158 WeakPolarHBondContact O-CG 3.42Å; E154-K158 PolarHBondContact O-N 3.46Å; E154-K158 WeakPolarHBondContact OE1-CE 3.48Å; E154-K158 IonicContact OE1-NZ 3.58Å; E154-K158 PolarHBondContact OE1-NZ 2.9Å; I155-K158 PolarHBondContact O-N 3.31Å; F156-K158 VanDerWaalsContact C-N 3.35Å; F156-K158 PolarHBondContact O-N 3.08Å; K158-E161 PolarHBondContact O-N 3.35Å; K158-S162 PolarHBondContact O-N 2.86Å
159F92.9Very high90Very high1 Ų148.6 Ų48.60%0.00424%0.242CC..Hα-helixtrans-62.1-46.6173.9166.2-99.3000110.9I58 L67 I68 F71 I155 F156 D157 E161 S162 K164 Y165I58-F159 HydrophobicContact CD1-CE1 4.39Å; I58-F159 HydrophobicContact CG2-CE1 4.16Å; I58-F159 HydrophobicContact CG2-CZ 4.39Å; L67-F159 HydrophobicContact CB-CE2 4.33Å; I68-F159 HydrophobicContact CD1-CE1 4.32Å; I68-F159 HydrophobicContact CD1-CZ 4.46Å; I68-F159 HydrophobicContact CG1-CD1 4.13Å; I68-F159 HydrophobicContact CG1-CD2 3.93Å; I68-F159 HydrophobicContact CG1-CE1 3.9Å; I68-F159 HydrophobicContact CG1-CE2 3.69Å; I68-F159 HydrophobicContact CG1-CG 4.14Å; I68-F159 HydrophobicContact CG1-CZ 3.67Å; F71-F159 HydrophobicContact CB-CD2 3.94Å; F71-F159 HydrophobicContact CD1-CB 3.83Å; F71-F159 HydrophobicContact CD1-CD2 4.21Å; F71-F159 HydrophobicContact CE1-CB 3.87Å; F71-F159 HydrophobicContact CG-CB 4.3Å; F71-F159 AromaticContact CG-CD2 3.96Å; F71-F159 HydrophobicContact CG-CD2 3.96Å; F71-F159 HydrophobicContact CZ-CB 4.4Å; I155-F159 PolarHBondContact O-N 3.11Å; F156-F159 AromaticContact CD2-CD1 3.89Å; F156-F159 HydrophobicContact CD2-CD1 3.89Å; F156-F159 AromaticContact CE2-CD1 3.8Å; F156-F159 HydrophobicContact CE2-CD1 3.8Å; F156-F159 HydrophobicContact CE2-CE1 4.17Å; F156-F159 WeakPolarHBondContact O-CB 3.31Å; F156-F159 PolarHBondContact O-N 3.42Å; F156-F159 VanDerWaalsContact O-N 3.13Å; D157-F159 VanDerWaalsContact C-N 3.32Å; D157-F159 PolarHBondContact O-N 2.74Å; F159-E161 PolarHBondContact O-N 3.34Å; F159-S162 VanDerWaalsContact O-CB 3.31Å; F159-S162 WeakPolarHBondContact O-CB 3.35Å; F159-S162 PolarHBondContact O-N 3.44Å; F159-S162 PolarHBondContact O-OG 3.47Å; F159-K164 HydrophobicContact CD2-CB 4.25Å; F159-K164 HydrophobicContact CE2-CB 3.91Å; F159-Y165 HydrophobicContact CD1-CD2 4.39Å; F159-Y165 AromaticContact CE1-CD2 3.65Å; F159-Y165 HydrophobicContact CE1-CD2 3.65Å; F159-Y165 HydrophobicContact CE1-CG 4.26Å; F159-Y165 HydrophobicContact CZ-CD2 4.12Å; F159-Y165 WeakPolarHBondContact O-CB 3.28Å
160L93.5Very high90.8Very high31 Ų3144 Ų4416%0.16222%0.218CC..Hα-helixtrans-59.6-31.1177.6-70.4-179.5000112.3R40 I58 F156 D157 Y165R40-L160 PolarHBondContact NH2-O 3.39Å; I58-L160 HydrophobicContact CD1-CD2 4.45Å; F156-L160 HydrophobicContact CD1-CD1 4.08Å; F156-L160 HydrophobicContact CD1-CG 4.3Å; F156-L160 HydrophobicContact CE1-CD1 3.67Å; F156-L160 HydrophobicContact CE1-CD2 4.18Å; F156-L160 HydrophobicContact CE1-CG 3.95Å; F156-L160 HydrophobicContact CE2-CD2 4.22Å; F156-L160 HydrophobicContact CE2-CG 4.39Å; F156-L160 HydrophobicContact CZ-CD1 4.16Å; F156-L160 HydrophobicContact CZ-CD2 3.78Å; F156-L160 HydrophobicContact CZ-CG 4Å; F156-L160 WeakPolarHBondContact O-CG 3.37Å; F156-L160 PolarHBondContact O-N 2.84Å; D157-L160 PolarHBondContact O-N 2.89Å; L160-Y165 HydrophobicContact CD2-CD1 4.23Å; L160-Y165 HydrophobicContact CD2-CD2 3.67Å; L160-Y165 HydrophobicContact CD2-CE1 4.13Å; L160-Y165 HydrophobicContact CD2-CE2 3.56Å; L160-Y165 HydrophobicContact CD2-CG 4.01Å; L160-Y165 WeakPolarHBondContact O-CD1 3.47Å
161E90.8Very high91.8Very high117 Ų11741 Ų4155%0.54720%0.203SC..Hα-helixtrans-74.5-24.6174.1-69.9-168.4-156.100113.6R40 D157 K158 F159 K548R40-E161 PolarHBondContact NH1-O 3.23Å; R40-E161 PolarHBondContact NH2-O 3.45Å; D157-E161 PolarHBondContact O-N 3.24Å; D157-E161 VanDerWaalsContact O-N 3.13Å; K158-E161 PolarHBondContact O-N 3.35Å; F159-E161 PolarHBondContact O-N 3.34Å; E161-K548 IonicContact OE2-NZ 3.19Å; E161-K548 PolarHBondContact OE2-NZ 3.11Å
162S92Very high92.7Very high19 Ų1941.5 Ų41.513%0.13321%0.205CC..SBendtrans-76.2166.3-16879.50000116.3R40 K158 F159 K164 Y165 T166R40-S162 PolarHBondContact NH1-O 3.43Å; K158-S162 PolarHBondContact O-N 2.86Å; F159-S162 VanDerWaalsContact O-CB 3.31Å; F159-S162 WeakPolarHBondContact O-CB 3.35Å; F159-S162 PolarHBondContact O-N 3.44Å; F159-S162 PolarHBondContact O-OG 3.47Å; S162-K164 PolarHBondContact O-N 2.94Å; S162-K164 PolarHBondContact OG-N 2.79Å; S162-K164 VanDerWaalsContact OG-N 3.15Å; S162-Y165 PolarHBondContact O-N 2.87Å; S162-Y165 PolarHBondContact OG-N 2.8Å; S162-T166 PolarHBondContact O-N 3.16Å; S162-T166 PolarHBondContact O-OG1 3.18Å
163E92.7Very high93.3Very high114 Ų11437.1 Ų37.153%0.53319%0.187SC..Hα-helixtrans-64.6-24168.3-65.2-169.9158.100112.4T166 R167 K536E163-T166 VanDerWaalsContact O-CB 3.25Å; E163-T166 WeakPolarHBondContact O-CB 3.43Å; E163-T166 PolarHBondContact O-N 3.46Å; E163-R167 PolarHBondContact O-N 3.47Å; E163-K536 IonicContact OE1-NZ 3.69Å; E163-K536 PolarHBondContact OE1-NZ 3.28Å
164K94.5Very high93.9Very high46 Ų4637.8 Ų37.820%0.218%0.182CC..Hα-helixtrans-69.7-36.2177.2-60.3-63.1-177.4177.70112L67 D70 F71 F159 S162 T166 R167 F168L67-K164 HydrophobicContact CD2-CD 4.47Å; D70-K164 VanDerWaalsContact CG-CE 3.47Å; D70-K164 VanDerWaalsContact OD1-CE 3.32Å; D70-K164 WeakPolarHBondContact OD1-CE 3.26Å; D70-K164 IonicContact OD1-NZ 3.76Å; D70-K164 PolarHBondContact OD1-NZ 3Å; D70-K164 VanDerWaalsContact OD1-NZ 3.12Å; D70-K164 VanDerWaalsContact OD2-CE 3.29Å; D70-K164 WeakPolarHBondContact OD2-CE 3.1Å; D70-K164 IonicContact OD2-NZ 3.95Å; D70-K164 PolarHBondContact OD2-NZ 3.36Å; F71-K164 HydrophobicContact CB-CB 4.22Å; F71-K164 HydrophobicContact CB-CG 4.04Å; F71-K164 HydrophobicContact CD2-CG 4.34Å; F159-K164 HydrophobicContact CD2-CB 4.25Å; F159-K164 HydrophobicContact CE2-CB 3.91Å; S162-K164 PolarHBondContact O-N 2.94Å; S162-K164 PolarHBondContact OG-N 2.79Å; S162-K164 VanDerWaalsContact OG-N 3.15Å; K164-T166 VanDerWaalsContact C-N 3.34Å; K164-R167 WeakPolarHBondContact O-CB 3.5Å; K164-R167 PolarHBondContact O-N 3.21Å; K164-F168 PolarHBondContact O-N 3.46Å
165Y96.4Very high94.5Very high0 Ų032.2 Ų32.20%016%0.156CC..Hα-helixtrans-69-34.7170.2179.2-112.4000112.4H44 I58 F159 L160 S162 R167 F168 C169H44-Y165 HydrophobicContact CB-CE1 4.26Å; H44-Y165 AromaticContact ND1-CE1 3.44Å; H44-Y165 WeakPolarHBondContact ND1-CE1 3.45Å; H44-Y165 AromaticContact ND1-CZ 3.5Å; H44-Y165 PolarHBondContact ND1-OH 2.95Å; I58-Y165 HydrophobicContact CD1-CD2 4.28Å; I58-Y165 HydrophobicContact CD1-CE2 3.8Å; F159-Y165 HydrophobicContact CD1-CD2 4.39Å; F159-Y165 AromaticContact CE1-CD2 3.65Å; F159-Y165 HydrophobicContact CE1-CD2 3.65Å; F159-Y165 HydrophobicContact CE1-CG 4.26Å; F159-Y165 HydrophobicContact CZ-CD2 4.12Å; F159-Y165 WeakPolarHBondContact O-CB 3.28Å; L160-Y165 HydrophobicContact CD2-CD1 4.23Å; L160-Y165 HydrophobicContact CD2-CD2 3.67Å; L160-Y165 HydrophobicContact CD2-CE1 4.13Å; L160-Y165 HydrophobicContact CD2-CE2 3.56Å; L160-Y165 HydrophobicContact CD2-CG 4.01Å; L160-Y165 WeakPolarHBondContact O-CD1 3.47Å; S162-Y165 PolarHBondContact O-N 2.87Å; S162-Y165 PolarHBondContact OG-N 2.8Å; Y165-R167 VanDerWaalsContact C-N 3.29Å; Y165-R167 PolarHBondContact O-N 2.93Å; Y165-F168 HydrophobicContact CD2-CB 4.41Å; Y165-F168 HydrophobicContact CD2-CD1 4.06Å; Y165-F168 AromaticContact CE2-CD1 3.86Å; Y165-F168 HydrophobicContact CE2-CD1 3.86Å; Y165-F168 HydrophobicContact CE2-CE1 4.45Å; Y165-F168 WeakPolarHBondContact O-CB 3.41Å; Y165-F168 PolarHBondContact O-N 3.22Å; Y165-C169 PolarHBondContact O-N 3.33Å; Y165-C169 PolarHBondContact O-SG 2.94Å; Y165-C169 VanDerWaalsContact O-SG 3.32Å
166T96.3Very high95Very high17 Ų1734.2 Ų34.210%0.10417%0.167CC..Hα-helixtrans-58.3-44.9170.9-50.90000110.6P37 R40 S162 E163 K164 F168 C169 Q170P37-T166 HydrophobicContact CB-CG2 3.81Å; R40-T166 HydrophobicContact CB-CG2 4.06Å; R40-T166 WeakPolarHBondContact CD-OG1 3.45Å; R40-T166 PolarHBondContact NH1-OG1 3.17Å; S162-T166 PolarHBondContact O-N 3.16Å; S162-T166 PolarHBondContact O-OG1 3.18Å; E163-T166 VanDerWaalsContact O-CB 3.25Å; E163-T166 WeakPolarHBondContact O-CB 3.43Å; E163-T166 PolarHBondContact O-N 3.46Å; K164-T166 VanDerWaalsContact C-N 3.34Å; T166-F168 PolarHBondContact O-N 3.42Å; T166-C169 WeakPolarHBondContact O-CB 3.49Å; T166-C169 PolarHBondContact O-N 2.7Å; T166-Q170 WeakPolarHBondContact O-CG 3.39Å; T166-Q170 PolarHBondContact O-N 2.55Å
167R97.3Very high95.1Very high12 Ų1235.4 Ų35.45%0.04517%0.174CC..Hα-helixtrans-62.4-39.7174.1-173.955.957.169.43.2113L67 E163 K164 Y165 C169 Q170 W171 N525 D529 E532L67-R167 HydrophobicContact CD1-CB 4.45Å; L67-R167 HydrophobicContact CD1-CG 4.31Å; L67-R167 HydrophobicContact CD2-CB 4.14Å; L67-R167 HydrophobicContact CD2-CG 3.79Å; E163-R167 PolarHBondContact O-N 3.47Å; K164-R167 WeakPolarHBondContact O-CB 3.5Å; K164-R167 PolarHBondContact O-N 3.21Å; Y165-R167 VanDerWaalsContact C-N 3.29Å; Y165-R167 PolarHBondContact O-N 2.93Å; R167-C169 VanDerWaalsContact C-N 3.33Å; R167-C169 PolarHBondContact O-N 2.71Å; R167-Q170 VanDerWaalsContact CD-OE1 3.23Å; R167-Q170 WeakPolarHBondContact O-CB 3.29Å; R167-Q170 PolarHBondContact O-N 2.73Å; R167-W171 VanDerWaalsContact O-CD1 3.29Å; R167-W171 PolarHBondContact O-N 3.35Å; R167-W171 VanDerWaalsContact O-N 3.1Å; R167-N525 VanDerWaalsContact CD-OD1 3.27Å; R167-N525 WeakPolarHBondContact CD-OD1 3.46Å; R167-N525 PolarHBondContact NH1-O 3.26Å; R167-N525 PolarHBondContact NH1-OD1 3.49Å; R167-D529 IonicContact CZ-OD1 3.75Å; R167-D529 IonicContact NH1-OD1 2.78Å; R167-D529 PolarHBondContact NH1-OD1 2.9Å; R167-D529 IonicContact NH2-OD1 2.65Å; R167-D529 PolarHBondContact NH2-OD1 3.46Å; R167-E532 IonicContact NH2-OE1 3.65Å; R167-E532 IonicContact NH2-OE2 2.78Å; R167-E532 PolarHBondContact NH2-OE2 3.41Å
168F98Very high95.2Very high2 Ų233.3 Ų33.31%0.00916%0.162CC..Hα-helixtrans-59.6-44.8173.4175.8-102.3000111.3L47 I58 L67 K164 Y165 T166 Q170 W171 K172L47-F168 HydrophobicContact CD1-CE1 4Å; I58-F168 HydrophobicContact CB-CZ 4.41Å; I58-F168 HydrophobicContact CD1-CD1 4.27Å; I58-F168 HydrophobicContact CD1-CE1 3.92Å; I58-F168 HydrophobicContact CD1-CZ 4.47Å; I58-F168 HydrophobicContact CG1-CE1 3.9Å; I58-F168 HydrophobicContact CG1-CZ 3.96Å; I58-F168 HydrophobicContact CG2-CD1 4.49Å; I58-F168 HydrophobicContact CG2-CD2 4.2Å; I58-F168 HydrophobicContact CG2-CE1 4.28Å; I58-F168 HydrophobicContact CG2-CE2 3.98Å; I58-F168 HydrophobicContact CG2-CG 4.45Å; I58-F168 HydrophobicContact CG2-CZ 4.02Å; L67-F168 VanDerWaalsContact CD1-CA 3.46Å; L67-F168 HydrophobicContact CD1-CB 3.62Å; L67-F168 HydrophobicContact CD1-CD2 4.28Å; L67-F168 HydrophobicContact CD1-CG 4.47Å; K164-F168 PolarHBondContact O-N 3.46Å; Y165-F168 HydrophobicContact CD2-CB 4.41Å; Y165-F168 HydrophobicContact CD2-CD1 4.06Å; Y165-F168 AromaticContact CE2-CD1 3.86Å; Y165-F168 HydrophobicContact CE2-CD1 3.86Å; Y165-F168 HydrophobicContact CE2-CE1 4.45Å; Y165-F168 WeakPolarHBondContact O-CB 3.41Å; Y165-F168 PolarHBondContact O-N 3.22Å; T166-F168 PolarHBondContact O-N 3.42Å; F168-Q170 VanDerWaalsContact C-N 3.32Å; F168-Q170 PolarHBondContact O-N 3.06Å; F168-W171 PolarHBondContact O-N 3.27Å; F168-K172 HydrophobicContact CZ-CD 4.49Å; F168-K172 WeakPolarHBondContact O-CB 3.35Å; F168-K172 PolarHBondContact O-N 2.68Å
169C97.8Very high95.3Very high0 Ų036.4 Ų36.40%018%0.178CC..Hα-helixtrans-61.2-38.9176.5-67.80000112.5R40 M43 Y165 T166 R167 K172 N173R40-C169 HydrophobicContact CB-CB 4.32Å; M43-C169 HydrophobicContact CB-CB 3.88Å; M43-C169 HydrophobicContact CG-CB 4.49Å; Y165-C169 PolarHBondContact O-N 3.33Å; Y165-C169 PolarHBondContact O-SG 2.94Å; Y165-C169 VanDerWaalsContact O-SG 3.32Å; T166-C169 WeakPolarHBondContact O-CB 3.49Å; T166-C169 PolarHBondContact O-N 2.7Å; R167-C169 VanDerWaalsContact C-N 3.33Å; R167-C169 PolarHBondContact O-N 2.71Å; C169-K172 PolarHBondContact O-N 2.92Å; C169-N173 WeakPolarHBondContact O-CB 3.36Å; C169-N173 PolarHBondContact O-N 2.7Å
170Q97.8Very high95.5Very high2 Ų237.1 Ų37.11%0.00918%0.182CC..Hα-helixtrans-61.5-48.2175.6-69.9170.9-51.600111.7L34 P35 V39 T166 R167 F168 N173 L174 E532L34-Q170 HydrophobicContact CB-CB 4.26Å; L34-Q170 HydrophobicContact CD1-CB 4.39Å; P35-Q170 HydrophobicContact CG-CB 3.99Å; P35-Q170 HydrophobicContact CG-CG 4.2Å; P35-Q170 WeakPolarHBondContact O-CG 3.33Å; P35-Q170 PolarHBondContact O-NE2 2.81Å; V39-Q170 HydrophobicContact CG1-CB 4.42Å; V39-Q170 HydrophobicContact CG1-CG 3.74Å; T166-Q170 WeakPolarHBondContact O-CG 3.39Å; T166-Q170 PolarHBondContact O-N 2.55Å; R167-Q170 VanDerWaalsContact CD-OE1 3.23Å; R167-Q170 WeakPolarHBondContact O-CB 3.29Å; R167-Q170 PolarHBondContact O-N 2.73Å; F168-Q170 VanDerWaalsContact C-N 3.32Å; F168-Q170 PolarHBondContact O-N 3.06Å; Q170-N173 PolarHBondContact O-N 2.94Å; Q170-L174 PolarHBondContact O-N 2.76Å; Q170-E532 PolarHBondContact NE2-OE1 2.84Å
171W98.3Very high95.6Very high2 Ų238.8 Ų38.81%0.00819%0.194CC..Hα-helixtrans-63.7-42.3176-79.1111.5000112.3I32 L34 L63 R167 F168 N173 L174 E175 W512 I516 F521 V524 N525I32-W171 HydrophobicContact CG2-CH2 4.43Å; I32-W171 HydrophobicContact CG2-CZ3 4.23Å; L34-W171 HydrophobicContact CD1-CZ2 4.41Å; L34-W171 HydrophobicContact CD2-CD2 3.81Å; L34-W171 HydrophobicContact CD2-CE3 3.9Å; L34-W171 HydrophobicContact CD2-CG 4.43Å; L34-W171 HydrophobicContact CD2-CH2 4.07Å; L34-W171 HydrophobicContact CD2-CZ2 3.97Å; L34-W171 HydrophobicContact CD2-CZ3 4.02Å; L63-W171 HydrophobicContact CD1-CB 4.11Å; L63-W171 HydrophobicContact CD1-CD2 4.13Å; L63-W171 HydrophobicContact CD1-CE3 4.24Å; L63-W171 HydrophobicContact CD1-CG 4.1Å; R167-W171 VanDerWaalsContact O-CD1 3.29Å; R167-W171 PolarHBondContact O-N 3.35Å; R167-W171 VanDerWaalsContact O-N 3.1Å; F168-W171 PolarHBondContact O-N 3.27Å; W171-N173 VanDerWaalsContact C-N 3.33Å; W171-N173 PolarHBondContact O-N 2.65Å; W171-L174 HydrophobicContact CE3-CD1 4.36Å; W171-L174 HydrophobicContact CZ3-CD1 4.48Å; W171-L174 PolarHBondContact O-N 2.8Å; W171-E175 PolarHBondContact O-N 2.87Å; W171-W512 AromaticContact CE3-CH2 3.94Å; W171-W512 HydrophobicContact CE3-CH2 3.94Å; W171-W512 HydrophobicContact CE3-CZ2 4.41Å; W171-I516 HydrophobicContact CE3-CG2 4.13Å; W171-I516 HydrophobicContact CH2-CG2 3.6Å; W171-I516 HydrophobicContact CZ2-CG2 4.23Å; W171-I516 HydrophobicContact CZ3-CD1 4.34Å; W171-I516 HydrophobicContact CZ3-CG1 4.39Å; W171-I516 HydrophobicContact CZ3-CG2 3.56Å; W171-F521 AromaticContact CD1-CE2 3.95Å; W171-F521 AromaticContact CE2-CD2 3.79Å; W171-F521 AromaticContact CE2-CE2 3.93Å; W171-F521 AromaticContact CZ2-CD2 3.82Å; W171-F521 HydrophobicContact CZ2-CD2 3.82Å; W171-F521 HydrophobicContact CZ2-CE2 4.39Å; W171-F521 AromaticContact NE1-CD2 3.85Å; W171-F521 AromaticContact NE1-CE2 3.51Å; W171-V524 HydrophobicContact CH2-CB 3.88Å; W171-V524 HydrophobicContact CH2-CG1 3.61Å; W171-V524 HydrophobicContact CH2-CG2 4.32Å; W171-V524 HydrophobicContact CZ2-CB 3.88Å; W171-V524 HydrophobicContact CZ2-CG1 3.59Å; W171-N525 PolarHBondContact NE1-OD1 2.82Å
172K97.8Very high95.9Very high16 Ų1635.8 Ų35.87%0.0718%0.181CC..Hα-helixtrans-68.2-33.7-179-162.762.6178.1-179.10112.4M43 L47 F168 C169 E175 L176M43-K172 HydrophobicContact CE-CB 4.4Å; M43-K172 HydrophobicContact CE-CG 4.32Å; L47-K172 HydrophobicContact CD2-CG 4.08Å; F168-K172 HydrophobicContact CZ-CD 4.49Å; F168-K172 WeakPolarHBondContact O-CB 3.35Å; F168-K172 PolarHBondContact O-N 2.68Å; C169-K172 PolarHBondContact O-N 2.92Å; K172-E175 HydrophobicContact CD-CB 4.49Å; K172-E175 WeakPolarHBondContact CD-OE2 3.27Å; K172-E175 IonicContact NZ-OE1 2.6Å; K172-E175 PolarHBondContact NZ-OE1 3.2Å; K172-E175 IonicContact NZ-OE2 3.6Å; K172-E175 PolarHBondContact NZ-OE2 3.33Å; K172-E175 PolarHBondContact O-N 3.44Å; K172-L176 HydrophobicContact CD-CD1 4.47Å; K172-L176 HydrophobicContact CD-CG 4.47Å; K172-L176 HydrophobicContact CG-CD1 3.99Å; K172-L176 HydrophobicContact CG-CG 4.4Å; K172-L176 WeakPolarHBondContact O-CB 3.31Å; K172-L176 VanDerWaalsContact O-CG 3.31Å; K172-L176 WeakPolarHBondContact O-CG 3.43Å; K172-L176 PolarHBondContact O-N 2.87Å; K172-L176 VanDerWaalsContact O-N 3.07Å
173N97Very high96.1Very high7 Ų741.2 Ų41.24%0.03721%0.208CC..Hα-helixtrans-62.5-42.5171.9-178.5-100000111.7P35 V39 M43 C169 Q170 W171 N177 D635P35-N173 HydrophobicContact CG-CB 4.19Å; V39-N173 HydrophobicContact CG2-CB 3.88Å; M43-N173 HydrophobicContact CE-CB 4.41Å; M43-N173 HydrophobicContact CG-CB 3.89Å; M43-N173 HydrophobicContact SD-CB 3.79Å; M43-N173 PolarHBondContact SD-ND2 3.46Å; M43-N173 VanDerWaalsContact SD-ND2 3.42Å; C169-N173 WeakPolarHBondContact O-CB 3.36Å; C169-N173 PolarHBondContact O-N 2.7Å; Q170-N173 PolarHBondContact O-N 2.94Å; W171-N173 VanDerWaalsContact C-N 3.33Å; W171-N173 PolarHBondContact O-N 2.65Å; N173-N177 PolarHBondContact ND2-ND2 3.34Å; N173-N177 VanDerWaalsContact ND2-ND2 3.16Å; N173-N177 VanDerWaalsContact O-CB 3.31Å; N173-N177 WeakPolarHBondContact O-CB 3.43Å; N173-N177 PolarHBondContact O-N 2.73Å; N173-N177 PolarHBondContact O-ND2 3Å; N173-D635 PolarHBondContact ND2-OD2 3Å
174L96Very high96.3Very high46 Ų4637.4 Ų37.424%0.24119%0.191CC..Hα-helixtrans-64.6-44174.5-71.6-179.4000112.4I32 L34 Q170 W171 L176 N177 L178I32-L174 HydrophobicContact CG2-CD1 3.66Å; L34-L174 HydrophobicContact CD2-CD1 3.44Å; L34-L174 VanDerWaalsContact CD2-CD1 3.44Å; Q170-L174 PolarHBondContact O-N 2.76Å; W171-L174 HydrophobicContact CE3-CD1 4.36Å; W171-L174 HydrophobicContact CZ3-CD1 4.48Å; W171-L174 PolarHBondContact O-N 2.8Å; L174-L176 PolarHBondContact O-N 3.4Å; L174-N177 PolarHBondContact O-N 2.69Å; L174-L178 PolarHBondContact O-N 2.87Å
175E96.8Very high96.3Very high14 Ų1435.8 Ų35.87%0.06518%0.184CC..Hα-helixtrans-57-49.8179.4-171.9-175142.800111.5W171 K172 S509 W512 Q513W171-E175 PolarHBondContact O-N 2.87Å; K172-E175 HydrophobicContact CD-CB 4.49Å; K172-E175 WeakPolarHBondContact CD-OE2 3.27Å; K172-E175 IonicContact NZ-OE1 2.6Å; K172-E175 PolarHBondContact NZ-OE1 3.2Å; K172-E175 IonicContact NZ-OE2 3.6Å; K172-E175 PolarHBondContact NZ-OE2 3.33Å; K172-E175 PolarHBondContact O-N 3.44Å; E175-S509 WeakPolarHBondContact OE1-CB 3.48Å; E175-S509 PolarHBondContact OE1-OG 3.32Å; E175-W512 HydrophobicContact CB-CE3 3.91Å; E175-W512 HydrophobicContact CB-CH2 3.69Å; E175-W512 HydrophobicContact CB-CZ2 4.31Å; E175-W512 HydrophobicContact CB-CZ3 3.47Å; E175-W512 VanDerWaalsContact CB-CZ3 3.47Å; E175-W512 HydrophobicContact CG-CD2 4.14Å; E175-W512 HydrophobicContact CG-CE3 3.54Å; E175-W512 HydrophobicContact CG-CH2 4.28Å; E175-W512 HydrophobicContact CG-CZ3 3.63Å; E175-Q513 PolarHBondContact OE2-NE2 3.28Å
176L95.5Very high96.3Very high67 Ų6738.6 Ų38.635%0.35120%0.204SC..Hα-helixtrans-78-21.1-173-65.1173.2000113.4M43 Y46 K172 L174 I637M43-L176 HydrophobicContact CE-CD1 3.92Å; Y46-L176 HydrophobicContact CD1-CD1 4.19Å; Y46-L176 HydrophobicContact CE1-CD1 3.5Å; K172-L176 HydrophobicContact CD-CD1 4.47Å; K172-L176 HydrophobicContact CD-CG 4.47Å; K172-L176 HydrophobicContact CG-CD1 3.99Å; K172-L176 HydrophobicContact CG-CG 4.4Å; K172-L176 WeakPolarHBondContact O-CB 3.31Å; K172-L176 VanDerWaalsContact O-CG 3.31Å; K172-L176 WeakPolarHBondContact O-CG 3.43Å; K172-L176 PolarHBondContact O-N 2.87Å; K172-L176 VanDerWaalsContact O-N 3.07Å; L174-L176 PolarHBondContact O-N 3.4Å; L176-I637 HydrophobicContact CB-CD1 3.5Å; L176-I637 VanDerWaalsContact CB-CD1 3.5Å; L176-I637 HydrophobicContact CD1-CD1 3.8Å; L176-I637 HydrophobicContact CG-CD1 4.3Å
177N93.8Very high96.1Very high40 Ų4040.5 Ų40.521%0.21422%0.216CC..THydrogen-bonded Turntrans-10315.1178.3-67.8-58000113.2N173 L174 Q179 D635N173-N177 PolarHBondContact ND2-ND2 3.34Å; N173-N177 VanDerWaalsContact ND2-ND2 3.16Å; N173-N177 VanDerWaalsContact O-CB 3.31Å; N173-N177 WeakPolarHBondContact O-CB 3.43Å; N173-N177 PolarHBondContact O-N 2.73Å; N173-N177 PolarHBondContact O-ND2 3Å; L174-N177 PolarHBondContact O-N 2.69Å; N177-Q179 PolarHBondContact O-N 3.07Å; N177-Q179 VanDerWaalsContact O-N 3.1Å; N177-D635 HydrophobicContact CB-CB 4.2Å; N177-D635 VanDerWaalsContact CG-CB 3.46Å; N177-D635 WeakPolarHBondContact ND2-CB 3.08Å; N177-D635 PolarHBondContact ND2-OD1 3.15Å; N177-D635 WeakPolarHBondContact OD1-CB 3.43Å; N177-D635 PolarHBondContact OD1-OD1 2.87Å
178L93.8Very high95.7Very high49 Ų4941.5 Ų41.526%0.25722%0.221SC..  trans-66.9110.5-178.8-168.868.8000111L174 L180 Y254 T507L174-L178 PolarHBondContact O-N 2.87Å; L178-L180 HydrophobicContact CD1-CD2 4.2Å; L178-L180 HydrophobicContact CD2-CD1 4.19Å; L178-L180 HydrophobicContact CD2-CD2 4.25Å; L178-L180 HydrophobicContact CD2-CG 4.12Å; L178-L180 HydrophobicContact CG-CD2 4.17Å; L178-L180 HydrophobicContact CG-CG 4.05Å; L178-Y254 HydrophobicContact CD2-CD1 4.13Å; L178-Y254 HydrophobicContact CD2-CE1 3.76Å; L178-T507 HydrophobicContact CD2-CG2 4.14Å
179Q92.7Very high95.1Very high162 Ų16242 Ų4276%0.75722%0.222SC*.  trans-113.295.1174.5-67.1-173.8-5.100109.8N177N177-Q179 PolarHBondContact O-N 3.07Å; N177-Q179 VanDerWaalsContact O-N 3.1Å
180L96.2Very high94.6Very high17 Ų1743.5 Ų43.59%0.08923%0.23CC..  trans-79142.9-177.6-68.1171.5000112.3L178 D184 F185 Y254 F256L178-L180 HydrophobicContact CD1-CD2 4.2Å; L178-L180 HydrophobicContact CD2-CD1 4.19Å; L178-L180 HydrophobicContact CD2-CD2 4.25Å; L178-L180 HydrophobicContact CD2-CG 4.12Å; L178-L180 HydrophobicContact CG-CD2 4.17Å; L178-L180 HydrophobicContact CG-CG 4.05Å; L180-D184 HydrophobicContact CD2-CB 4.07Å; L180-F185 HydrophobicContact CB-CE2 4.36Å; L180-F185 HydrophobicContact CD1-CE2 4.37Å; L180-F185 HydrophobicContact CD1-CZ 4.1Å; L180-F185 HydrophobicContact CD2-CE2 4.19Å; L180-F185 HydrophobicContact CD2-CZ 4.22Å; L180-Y254 HydrophobicContact CD1-CD1 3.48Å; L180-Y254 VanDerWaalsContact CD1-CD1 3.48Å; L180-Y254 HydrophobicContact CD1-CD2 4.09Å; L180-Y254 HydrophobicContact CD1-CE1 4.14Å; L180-Y254 HydrophobicContact CD1-CG 3.44Å; L180-Y254 VanDerWaalsContact CD1-CG 3.44Å; L180-F256 HydrophobicContact CB-CB 4.22Å; L180-F256 HydrophobicContact CB-CD1 3.84Å; L180-F256 HydrophobicContact CB-CD2 4.43Å; L180-F256 HydrophobicContact CB-CE1 4.29Å; L180-F256 HydrophobicContact CB-CG 3.91Å; L180-F256 HydrophobicContact CD1-CD1 4.22Å; L180-F256 WeakPolarHBondContact O-CD2 3.33Å
181T96.6Very high93.9Very high65 Ų6544.7 Ų44.740%0.39924%0.236SC..  trans-129.7169.1171.969.60000109.9N183 D184 F185T181-N183 PolarHBondContact O-N 3.33Å; T181-N183 PolarHBondContact OG1-N 2.9Å; T181-D184 PolarHBondContact N-OD2 3.32Å; T181-D184 WeakPolarHBondContact O-CB 3.32Å; T181-D184 PolarHBondContact O-N 3.26Å; T181-D184 PolarHBondContact OG1-OD2 3.37Å; T181-F185 WeakPolarHBondContact O-CD2 3.26Å
182M96.3Very high93.2Very high55 Ų5545.6 Ų45.627%0.27125%0.246SC..G310 helixtrans-57.8-29.4173.1-65-62.4-66.100112.6D184 F185 V187 M213 F256 T258 V263M182-D184 PolarHBondContact O-N 3.3Å; M182-F185 PolarHBondContact O-N 2.71Å; M182-F185 VanDerWaalsContact O-N 3.12Å; M182-V187 HydrophobicContact CE-CG2 4.11Å; M182-M213 HydrophobicContact CE-CE 4.13Å; M182-M213 HydrophobicContact CE-SD 3.47Å; M182-M213 WeakPolarHBondContact CE-SD 3.19Å; M182-M213 HydrophobicContact SD-CE 4.25Å; M182-M213 HydrophobicContact SD-SD 4Å; M182-F256 HydrophobicContact CG-CE2 4.47Å; M182-F256 HydrophobicContact SD-CE2 4.05Å; M182-F256 HydrophobicContact SD-CZ 4.01Å; M182-T258 HydrophobicContact CG-CG2 3.78Å; M182-T258 HydrophobicContact SD-CG2 4.47Å; M182-V263 HydrophobicContact SD-CG2 3.99Å
183N96Very high92.5Very high132 Ų13248 Ų4871%0.70626%0.255SS*.G310 helixtrans-70.1-12.7179.7-68.9-24.7000113.3K30 T181K30-N183 WeakPolarHBondContact CE-O 3.42Å; K30-N183 PolarHBondContact NZ-O 2.89Å; T181-N183 PolarHBondContact O-N 3.33Å; T181-N183 PolarHBondContact OG1-N 2.9Å
184D96.5Very high91.8Very high34 Ų3449.5 Ų49.518%0.18227%0.272CS..G310 helixtrans-83.6-0.2175.5-55.4-52.9000112.1K30 L180 T181 M182 A205K30-D184 IonicContact NZ-OD1 3.12Å; K30-D184 PolarHBondContact NZ-OD1 3.16Å; L180-D184 HydrophobicContact CD2-CB 4.07Å; T181-D184 PolarHBondContact N-OD2 3.32Å; T181-D184 WeakPolarHBondContact O-CB 3.32Å; T181-D184 PolarHBondContact O-N 3.26Å; T181-D184 PolarHBondContact OG1-OD2 3.37Å; M182-D184 PolarHBondContact O-N 3.3Å; D184-A205 WeakPolarHBondContact O-CB 2.87Å; D184-A205 PolarHBondContact O-N 3.32Å
185F96.5Very high91Very high12 Ų1249.3 Ų49.35%0.05328%0.281CS..EExtended strand (participates in β ladder)trans-130.1129.5178.9-58.4-87.5000111.1L180 T181 M182 V187 C202 R203 K204 M213 Y254 F256 I265L180-F185 HydrophobicContact CB-CE2 4.36Å; L180-F185 HydrophobicContact CD1-CE2 4.37Å; L180-F185 HydrophobicContact CD1-CZ 4.1Å; L180-F185 HydrophobicContact CD2-CE2 4.19Å; L180-F185 HydrophobicContact CD2-CZ 4.22Å; T181-F185 WeakPolarHBondContact O-CD2 3.26Å; M182-F185 PolarHBondContact O-N 2.71Å; M182-F185 VanDerWaalsContact O-N 3.12Å; F185-V187 PolarHBondContact O-N 3.22Å; F185-C202 HydrophobicContact CB-CB 4.32Å; F185-R203 CarbonylContact C-O 3.48Å; F185-R203 VanDerWaalsContact CA-O 3.29Å; F185-R203 WeakPolarHBondContact CA-O 3.25Å; F185-K204 HydrophobicContact CD1-CB 4.16Å; F185-K204 HydrophobicContact CD1-CG 4.18Å; F185-K204 HydrophobicContact CE1-CB 4.02Å; F185-K204 HydrophobicContact CE1-CD 4.37Å; F185-K204 HydrophobicContact CE1-CG 3.76Å; F185-K204 HydrophobicContact CZ-CG 4.31Å; F185-M213 HydrophobicContact CB-CE 3.41Å; F185-M213 VanDerWaalsContact CB-CE 3.41Å; F185-M213 HydrophobicContact CD1-CE 4.1Å; F185-M213 HydrophobicContact CD2-CE 3.69Å; F185-M213 HydrophobicContact CG-CE 3.45Å; F185-M213 VanDerWaalsContact CG-CE 3.45Å; F185-Y254 HydrophobicContact CZ-CD2 4.38Å; F185-F256 HydrophobicContact CD2-CE1 4.21Å; F185-F256 HydrophobicContact CD2-CZ 4.07Å; F185-F256 HydrophobicContact CE2-CD1 4.46Å; F185-F256 AromaticContact CE2-CE1 3.52Å; F185-F256 HydrophobicContact CE2-CE1 3.52Å; F185-F256 AromaticContact CE2-CZ 3.79Å; F185-F256 HydrophobicContact CE2-CZ 3.79Å; F185-F256 HydrophobicContact CZ-CE1 4.13Å; F185-I265 HydrophobicContact CD1-CD1 4.11Å; F185-I265 HydrophobicContact CE1-CD1 3.72Å; F185-I265 HydrophobicContact CE1-CG1 3.9Å; F185-I265 HydrophobicContact CE1-CG2 4.19Å; F185-I265 HydrophobicContact CE2-CD1 4.22Å; F185-I265 HydrophobicContact CE2-CG1 4.38Å; F185-I265 HydrophobicContact CZ-CD1 3.79Å; F185-I265 HydrophobicContact CZ-CG1 3.69Å
186S94.3Very high90.6Very high59 Ų5950.7 Ų50.741%0.41329%0.287SS..EExtended strand (participates in β ladder)trans-80.9103.4162.91780000108.1H188 C202 R203S186-H188 PolarHBondContact O-CD2 2.92Å; S186-C202 CarbonylContact O-C 3.59Å; S186-C202 VanDerWaalsContact O-CA 3.28Å; S186-C202 WeakPolarHBondContact O-CA 3.44Å; S186-R203 PolarHBondContact N-O 3.36Å; S186-R203 PolarHBondContact O-N 3.48Å
187V93.3Very high90.4Very high58 Ų5847.8 Ų47.835%0.35227%0.272SS..EExtended strand (participates in β ladder)trans-80.6134.1180-173.80000110M182 F185 Y200 M213M182-V187 HydrophobicContact CE-CG2 4.11Å; F185-V187 PolarHBondContact O-N 3.22Å; V187-Y200 HydrophobicContact CG1-CD1 3.7Å; V187-Y200 HydrophobicContact CG1-CG 3.76Å; V187-M213 HydrophobicContact CG2-CE 3.98Å; V187-M213 HydrophobicContact CG2-SD 3.84Å
188H89.6Confident90.3Very high33 Ų3347.2 Ų47.215%0.15327%0.268CS..EExtended strand (participates in β ladder)trans-108.5-153.1177.1-62.9-81.2000110.1Y13 A16 S186 G201Y13-H188 HydrophobicContact CD2-CB 3.88Å; A16-H188 VanDerWaalsContact CB-CE1 3.47Å; A16-H188 WeakPolarHBondContact CB-CE1 3.39Å; S186-H188 PolarHBondContact O-CD2 2.92Å; H188-G201 WeakPolarHBondContact CA-O 3.47Å; H188-G201 WeakPolarHBondContact CB-O 3.46Å; H188-G201 PolarHBondContact N-O 3.41Å
189R85Confident90.3Very high12 Ų1246.4 Ų46.45%0.04527%0.265CS..EExtended strand (participates in β ladder)trans-62.9159.4-17870.8169.6-87.8176.9-14.5113.6A9 D10 Y13 I191 Y200 G201 V472 A475A9-R189 HydrophobicContact CB-CB 4.05Å; D10-R189 VanDerWaalsContact OD1-CD 3.23Å; D10-R189 WeakPolarHBondContact OD1-CD 3.33Å; D10-R189 IonicContact OD1-CZ 2.86Å; D10-R189 IonicContact OD1-NE 2.58Å; D10-R189 IonicContact OD1-NH1 3.44Å; D10-R189 PolarHBondContact OD1-NH1 3.03Å; D10-R189 IonicContact OD2-NH1 3.09Å; D10-R189 PolarHBondContact OD2-NH1 2.85Å; Y13-R189 HydrophobicContact CD1-CG 4.03Å; Y13-R189 HydrophobicContact CD2-CG 4.24Å; Y13-R189 HydrophobicContact CG-CG 3.77Å; R189-I191 HydrophobicContact CG-CG2 4.19Å; R189-Y200 WeakPolarHBondContact O-CA 3.42Å; R189-G201 PolarHBondContact O-N 3.42Å; R189-V472 VanDerWaalsContact NH2-CG1 3.3Å; R189-A475 PolarHBondContact NH2-O 2.85Å
190I85.8Confident90.3Very high32 Ų3240.6 Ų40.616%0.16424%0.237CC..EExtended strand (participates in β ladder)trans-67.4133.2164.8-58.7170.4000108.4G192 E198 V199 Y200 I480I190-G192 WeakPolarHBondContact CG2-O 3.25Å; I190-E198 HydrophobicContact CG2-CB 4.47Å; I190-V199 CarbonylContact C-O 3.58Å; I190-V199 WeakPolarHBondContact CA-O 3.31Å; I190-V199 WeakPolarHBondContact CG2-O 3.43Å; I190-Y200 HydrophobicContact CD1-CE1 4.09Å; I190-Y200 HydrophobicContact CG1-CD1 3.66Å; I190-Y200 HydrophobicContact CG1-CE1 3.36Å; I190-I480 HydrophobicContact CB-CD1 4.46Å; I190-I480 HydrophobicContact CG2-CD1 3.84Å; I190-I480 HydrophobicContact CG2-CG2 4.11Å
191I84.6Confident90.1Very high27 Ų2739.8 Ų39.814%0.13823%0.233CC..EExtended strand (participates in β ladder)trans-116.9-7.6177.361.2173.7000112.4Y13 R189 V199 A212 L268 A474Y13-I191 HydrophobicContact CE1-CG2 4.34Å; Y13-I191 HydrophobicContact CE2-CG2 4.38Å; R189-I191 HydrophobicContact CG-CG2 4.19Å; I191-V199 HydrophobicContact CD1-CG1 3.92Å; I191-V199 HydrophobicContact CG1-CB 4.1Å; I191-V199 HydrophobicContact CG1-CG1 3.75Å; I191-V199 WeakPolarHBondContact CG1-O 3.28Å; I191-V199 PolarHBondContact N-O 3.39Å; I191-A212 HydrophobicContact CD1-CB 4.1Å; I191-L268 HydrophobicContact CD1-CD1 3.75Å; I191-A474 WeakPolarHBondContact O-CB 3.17Å
192G82.6Confident90Very high20 Ų2036.7 Ų36.721%0.20621%0.214CC..EExtended strand (participates in β ladder)trans-173.5166.5173.900000113I190 V199I190-G192 WeakPolarHBondContact CG2-O 3.25Å; G192-V199 PolarHBondContact N-O 3.04Å; G192-V199 PolarHBondContact O-N 2.89Å
193R84Confident89.9Confident68 Ų6835.1 Ų35.126%0.25721%0.205SC..EExtended strand (participates in β ladder)trans-137.1140174.6173.4177.4-76.5175.3-1.4110.8E198 I480 G481 N482 F483R193-E198 IonicContact CZ-OE1 3.71Å; R193-E198 IonicContact NE-OE1 2.68Å; R193-E198 IonicContact NH2-OE1 3.55Å; R193-E198 PolarHBondContact NH2-OE1 3.04Å; R193-I480 HydrophobicContact CB-CG2 3.41Å; R193-I480 VanDerWaalsContact CB-CG2 3.41Å; R193-I480 WeakPolarHBondContact CD-O 3.49Å; R193-I480 HydrophobicContact CG-CG2 4.46Å; R193-I480 PolarHBondContact NH1-O 3.48Å; R193-G481 VanDerWaalsContact CZ-C 3.45Å; R193-G481 PolarHBondContact NH1-O 3.15Å; R193-G481 PolarHBondContact NH2-O 2.81Å; R193-N482 VanDerWaalsContact NH1-CA 3.34Å; R193-N482 PolarHBondContact NH1-O 2.9Å; R193-N482 VanDerWaalsContact NH2-C 3.29Å; R193-F483 HydrophobicContact CG-CE1 4.16Å; R193-F483 HydrophobicContact CG-CE2 4.21Å; R193-F483 HydrophobicContact CG-CZ 3.73Å; R193-F483 VanDerWaalsContact NH2-N 3.12Å
194G81.3Confident89.9Confident38 Ų3828.9 Ų28.939%0.39217%0.171SC..  trans-117.3-171172.600000112.7F196 G197 F483G194-F196 VanDerWaalsContact C-N 3.3Å; G194-F196 PolarHBondContact O-N 2.99Å; G194-G197 PolarHBondContact N-O 2.92Å; G194-F483 WeakPolarHBondContact O-CZ 3.3Å
195G80.4Confident89.8Confident42 Ų4227.5 Ų27.543%0.43317%0.165SC..SBendtrans-68.3-24.9-178.900000115K224G195-K224 PolarHBondContact O-NZ 2.78Å
196F87.8Confident89.7Confident43 Ų4328.3 Ų28.319%0.18917%0.169CC..SBendtrans-114.8-8.3-174.5-57.8-72000113.9G194 L216 D217 I221 K224 L229G194-F196 VanDerWaalsContact C-N 3.3Å; G194-F196 PolarHBondContact O-N 2.99Å; F196-L216 HydrophobicContact CB-CB 4.31Å; F196-L216 HydrophobicContact CB-CD2 4.14Å; F196-D217 PolarHBondContact O-N 2.9Å; F196-I221 HydrophobicContact CB-CG1 4.08Å; F196-I221 HydrophobicContact CD1-CB 4.43Å; F196-I221 HydrophobicContact CD1-CG1 3.89Å; F196-I221 HydrophobicContact CG-CG1 4.12Å; F196-K224 HydrophobicContact CD1-CB 4.44Å; F196-K224 HydrophobicContact CD1-CD 4.24Å; F196-K224 HydrophobicContact CE1-CB 3.72Å; F196-K224 HydrophobicContact CE1-CD 4.04Å; F196-L229 HydrophobicContact CE2-CD1 4.2Å; F196-L229 HydrophobicContact CZ-CD1 4.1Å
197G91.3Very high89.7Confident5 Ų525.5 Ų25.55%0.05215%0.15CC..EExtended strand (participates in β ladder)trans-179.3-174.8-163.200000114.8G194 C215G194-G197 PolarHBondContact N-O 2.92Å; G197-C215 CarbonylContact C-O 3.55Å; G197-C215 WeakPolarHBondContact CA-O 3.49Å
198E92.2Very high89.6Confident28 Ų2822.7 Ų22.713%0.13113%0.133CC..EExtended strand (participates in β ladder)trans-125.2153.3-174.8-57.9177.1143.800109.8I190 R193 Y200 C215 F483I190-E198 HydrophobicContact CG2-CB 4.47Å; R193-E198 IonicContact CZ-OE1 3.71Å; R193-E198 IonicContact NE-OE1 2.68Å; R193-E198 IonicContact NH2-OE1 3.55Å; R193-E198 PolarHBondContact NH2-OE1 3.04Å; E198-Y200 HydrophobicContact CB-CD2 4.43Å; E198-Y200 HydrophobicContact CB-CE2 3.67Å; E198-Y200 PolarHBondContact OE2-OH 3.32Å; E198-C215 PolarHBondContact N-O 2.87Å; E198-C215 PolarHBondContact O-N 3.35Å; E198-F483 HydrophobicContact CG-CD2 3.94Å; E198-F483 HydrophobicContact CG-CE2 3.62Å
199V92.6Very high89.7Confident32 Ų3223.6 Ų23.619%0.19414%0.136CC..EExtended strand (participates in β ladder)trans-113.3128.8176.2-170.70000108I190 I191 G192 A212 M213 K214I190-V199 CarbonylContact C-O 3.58Å; I190-V199 WeakPolarHBondContact CA-O 3.31Å; I190-V199 WeakPolarHBondContact CG2-O 3.43Å; I191-V199 HydrophobicContact CD1-CG1 3.92Å; I191-V199 HydrophobicContact CG1-CB 4.1Å; I191-V199 HydrophobicContact CG1-CG1 3.75Å; I191-V199 WeakPolarHBondContact CG1-O 3.28Å; I191-V199 PolarHBondContact N-O 3.39Å; G192-V199 PolarHBondContact N-O 3.04Å; G192-V199 PolarHBondContact O-N 2.89Å; V199-A212 HydrophobicContact CG1-CB 4.06Å; V199-M213 CarbonylContact C-O 3.51Å; V199-M213 WeakPolarHBondContact CA-O 3.15Å; V199-K214 HydrophobicContact CG2-CB 4.11Å; V199-K214 HydrophobicContact CG2-CG 4.02Å
200Y92.5Very high90.1Very high41 Ų4124 Ų2416%0.16114%0.139CC..EExtended strand (participates in β ladder)trans-116.3149.1180-56.2-101.8000110.2V187 R189 I190 E198 A212 M213 C215V187-Y200 HydrophobicContact CG1-CD1 3.7Å; V187-Y200 HydrophobicContact CG1-CG 3.76Å; R189-Y200 WeakPolarHBondContact O-CA 3.42Å; I190-Y200 HydrophobicContact CD1-CE1 4.09Å; I190-Y200 HydrophobicContact CG1-CD1 3.66Å; I190-Y200 HydrophobicContact CG1-CE1 3.36Å; E198-Y200 HydrophobicContact CB-CD2 4.43Å; E198-Y200 HydrophobicContact CB-CE2 3.67Å; E198-Y200 PolarHBondContact OE2-OH 3.32Å; Y200-A212 CarbonylContact O-C 3.58Å; Y200-A212 WeakPolarHBondContact O-CA 3.47Å; Y200-M213 PolarHBondContact N-O 2.75Å; Y200-M213 PolarHBondContact O-N 3.39Å; Y200-C215 HydrophobicContact CD2-CB 4.47Å; Y200-C215 HydrophobicContact CE2-CB 4.06Å
201G92.4Very high90.5Very high0 Ų022.6 Ų22.60%013%0.132CC..EExtended strand (participates in β ladder)trans-71.3137.6158.100000109.5H188 R189H188-G201 WeakPolarHBondContact CA-O 3.47Å; H188-G201 WeakPolarHBondContact CB-O 3.46Å; H188-G201 PolarHBondContact N-O 3.41Å; R189-G201 PolarHBondContact O-N 3.42Å
202C94.5Very high91Very high0 Ų021.6 Ų21.60%013%0.128CC..EExtended strand (participates in β ladder)trans-143.9157.5174.9730000112.4F185 S186 M210 Y211 M213F185-C202 HydrophobicContact CB-CB 4.32Å; S186-C202 CarbonylContact O-C 3.59Å; S186-C202 VanDerWaalsContact O-CA 3.28Å; S186-C202 WeakPolarHBondContact O-CA 3.44Å; C202-M210 CarbonylContact O-C 3.58Å; C202-M210 WeakPolarHBondContact O-CA 3.46Å; C202-Y211 PolarHBondContact N-O 3.09Å; C202-Y211 PolarHBondContact O-N 3.13Å; C202-M213 HydrophobicContact CB-CB 4.2Å; C202-M213 HydrophobicContact CB-CE 4.24Å
203R94.2Very high91.7Very high22 Ų2220.7 Ų20.78%0.08312%0.118CC..EExtended strand (participates in β ladder)trans-113.2128.5170.3-172.5-173.7-59.6-84.5-2.4110.2A16 F185 S186 A205 G208 K209 M210A16-R203 VanDerWaalsContact C-NH2 3.26Å; A16-R203 VanDerWaalsContact CB-NH2 3.35Å; A16-R203 PolarHBondContact O-NH2 3.38Å; F185-R203 CarbonylContact C-O 3.48Å; F185-R203 VanDerWaalsContact CA-O 3.29Å; F185-R203 WeakPolarHBondContact CA-O 3.25Å; S186-R203 PolarHBondContact N-O 3.36Å; S186-R203 PolarHBondContact O-N 3.48Å; R203-A205 PolarHBondContact O-N 3.01Å; R203-G208 WeakPolarHBondContact CG-O 3.36Å; R203-G208 PolarHBondContact NH1-O 3.18Å; R203-K209 CarbonylContact C-O 3.54Å; R203-K209 WeakPolarHBondContact CA-O 3.4Å; R203-M210 HydrophobicContact CB-SD 3.68Å; R203-M210 HydrophobicContact CG-SD 4.04Å; R203-M210 VanDerWaalsContact CZ-SD 3.58Å
204K95.6Very high92.3Very high0 Ų018.7 Ų18.70%011%0.111CC..EExtended strand (participates in β ladder)trans-69.8125.4170.7-159.4-175.7-179.4-104.80109.8F185 D206 G208 K209 Y211 Y254 E515F185-K204 HydrophobicContact CD1-CB 4.16Å; F185-K204 HydrophobicContact CD1-CG 4.18Å; F185-K204 HydrophobicContact CE1-CB 4.02Å; F185-K204 HydrophobicContact CE1-CD 4.37Å; F185-K204 HydrophobicContact CE1-CG 3.76Å; F185-K204 HydrophobicContact CZ-CG 4.31Å; K204-D206 VanDerWaalsContact C-N 3.32Å; K204-D206 WeakPolarHBondContact CD-OD1 3.25Å; K204-D206 WeakPolarHBondContact CE-OD1 3.32Å; K204-D206 VanDerWaalsContact CG-OD1 3.27Å; K204-D206 WeakPolarHBondContact CG-OD1 3.44Å; K204-D206 IonicContact NZ-OD1 3.22Å; K204-D206 PolarHBondContact NZ-OD1 3Å; K204-D206 IonicContact NZ-OD2 3.99Å; K204-D206 PolarHBondContact NZ-OD2 3.49Å; K204-D206 PolarHBondContact O-N 2.97Å; K204-G208 VanDerWaalsContact O-CA 3.24Å; K204-G208 WeakPolarHBondContact O-CA 3.36Å; K204-G208 PolarHBondContact O-N 3.3Å; K204-K209 PolarHBondContact N-O 3.16Å; K204-Y211 HydrophobicContact CB-CD2 4.41Å; K204-Y211 HydrophobicContact CB-CE2 4.5Å; K204-Y254 HydrophobicContact CD-CE2 3.96Å; K204-Y254 WeakPolarHBondContact CE-OH 3.34Å; K204-E515 WeakPolarHBondContact CD-OE1 3.21Å
205A95.3Very high93.1Very high5 Ų517.3 Ų17.34%0.04110%0.095CC..THydrogen-bonded Turntrans-70.2-25.1-164.600000113.9A28 S29 K30 D184 R203A28-A205 CarbonylContact C-O 3.55Å; A28-A205 VanDerWaalsContact CA-O 3.32Å; A28-A205 WeakPolarHBondContact CA-O 3.18Å; S29-A205 PolarHBondContact N-O 2.97Å; S29-A205 WeakPolarHBondContact OG-CB 3.31Å; S29-A205 PolarHBondContact OG-O 2.81Å; K30-A205 HydrophobicContact CB-CB 4.32Å; K30-A205 HydrophobicContact CD-CB 3.89Å; K30-A205 HydrophobicContact CG-CB 4.04Å; K30-A205 PolarHBondContact N-O 3.27Å; D184-A205 WeakPolarHBondContact O-CB 2.87Å; D184-A205 PolarHBondContact O-N 3.32Å; R203-A205 PolarHBondContact O-N 3.01Å
206D94.1Very high93.8Very high29 Ų2915.6 Ų15.616%0.1558%0.076CC..THydrogen-bonded Turntrans-97.2-20.6-172.562.2-12.9000114.7A28 K30 I32 K204A28-D206 VanDerWaalsContact CB-O 3.26Å; A28-D206 WeakPolarHBondContact CB-O 3.4Å; K30-D206 HydrophobicContact CB-CB 4.24Å; K30-D206 WeakPolarHBondContact O-CA 3.38Å; I32-D206 HydrophobicContact CD1-CB 4.35Å; I32-D206 HydrophobicContact CG1-CB 3.87Å; K204-D206 VanDerWaalsContact C-N 3.32Å; K204-D206 WeakPolarHBondContact CD-OD1 3.25Å; K204-D206 WeakPolarHBondContact CE-OD1 3.32Å; K204-D206 VanDerWaalsContact CG-OD1 3.27Å; K204-D206 WeakPolarHBondContact CG-OD1 3.44Å; K204-D206 IonicContact NZ-OD1 3.22Å; K204-D206 PolarHBondContact NZ-OD1 3Å; K204-D206 IonicContact NZ-OD2 3.99Å; K204-D206 PolarHBondContact NZ-OD2 3.49Å; K204-D206 PolarHBondContact O-N 2.97Å
207T93.9Very high94.2Very high0 Ų015.7 Ų15.70%08%0.079CC..THydrogen-bonded Turntrans-114.5-20.2177.360.50000112.5P24 I32 K209 E515 I516 V520P24-T207 CarbonylContact C-O 3.51Å; I32-T207 HydrophobicContact CD1-CG2 4.48Å; T207-K209 PolarHBondContact O-N 2.77Å; T207-K209 PolarHBondContact OG1-N 2.83Å; T207-E515 VanDerWaalsContact CB-OE1 3.26Å; T207-E515 WeakPolarHBondContact CB-OE1 3.21Å; T207-E515 HydrophobicContact CG2-CG 3.96Å; T207-E515 VanDerWaalsContact CG2-OE1 3.31Å; T207-E515 WeakPolarHBondContact CG2-OE1 3.45Å; T207-E515 PolarHBondContact OG1-OE1 3.34Å; T207-I516 HydrophobicContact CG2-CD1 3.75Å; T207-V520 HydrophobicContact CG2-CG2 4.26Å
208G91.5Very high94.5Very high0 Ų015.5 Ų15.50%08%0.077CC..  trans74.56-173.800000114.5P24 R203 K204P24-G208 WeakPolarHBondContact O-CA 3.39Å; R203-G208 WeakPolarHBondContact CG-O 3.36Å; R203-G208 PolarHBondContact NH1-O 3.18Å; K204-G208 VanDerWaalsContact O-CA 3.24Å; K204-G208 WeakPolarHBondContact O-CA 3.36Å; K204-G208 PolarHBondContact O-N 3.3Å
209K92.4Very high94.7Very high51 Ų5117.6 Ų17.622%0.2229%0.085CC..  trans-70.1139.6179.8-173.5167.5174.5-175.20111.8R203 K204 T207 Y211 E515R203-K209 CarbonylContact C-O 3.54Å; R203-K209 WeakPolarHBondContact CA-O 3.4Å; K204-K209 PolarHBondContact N-O 3.16Å; T207-K209 PolarHBondContact O-N 2.77Å; T207-K209 PolarHBondContact OG1-N 2.83Å; K209-Y211 HydrophobicContact CB-CD2 4.47Å; K209-Y211 HydrophobicContact CB-CE2 3.92Å; K209-Y211 HydrophobicContact CD-CE1 4.45Å; K209-Y211 HydrophobicContact CD-CE2 3.72Å; K209-Y211 VanDerWaalsContact CD-OH 3.28Å; K209-Y211 WeakPolarHBondContact CD-OH 3.4Å; K209-Y211 WeakPolarHBondContact CE-OH 3.21Å; K209-Y211 HydrophobicContact CG-CD2 4.22Å; K209-Y211 HydrophobicContact CG-CE2 3.63Å; K209-Y211 PolarHBondContact NZ-OH 3.21Å; K209-E515 HydrophobicContact CB-CG 4.21Å; K209-E515 HydrophobicContact CD-CB 3.89Å; K209-E515 HydrophobicContact CD-CG 3.53Å
210M92.3Very high94.8Very high22 Ų2216.7 Ų16.711%0.1088%0.078CC..EExtended strand (participates in β ladder)trans-88144.4177-66.5-67.7-66.700111.4Y13 A16 M17 S20 C202 R203 L268Y13-M210 HydrophobicContact CE2-CE 4.46Å; A16-M210 HydrophobicContact CB-CE 4.04Å; A16-M210 HydrophobicContact CB-SD 4.25Å; M17-M210 HydrophobicContact CG-CE 4.35Å; S20-M210 VanDerWaalsContact CB-CG 3.43Å; S20-M210 VanDerWaalsContact OG-CG 3.31Å; S20-M210 WeakPolarHBondContact OG-CG 3.39Å; C202-M210 CarbonylContact O-C 3.58Å; C202-M210 WeakPolarHBondContact O-CA 3.46Å; R203-M210 HydrophobicContact CB-SD 3.68Å; R203-M210 HydrophobicContact CG-SD 4.04Å; R203-M210 VanDerWaalsContact CZ-SD 3.58Å; M210-L268 HydrophobicContact CB-CD2 4.01Å; M210-L268 HydrophobicContact CE-CD2 4.28Å
211Y95.1Very high94.9Very high1 Ų114.7 Ų14.70%0.0047%0.071CC..EExtended strand (participates in β ladder)trans-147.8164.1-177.2-76.8-70.3000111.4C202 K204 K209 T253 Y254 I265 L266 E515C202-Y211 PolarHBondContact N-O 3.09Å; C202-Y211 PolarHBondContact O-N 3.13Å; K204-Y211 HydrophobicContact CB-CD2 4.41Å; K204-Y211 HydrophobicContact CB-CE2 4.5Å; K209-Y211 HydrophobicContact CB-CD2 4.47Å; K209-Y211 HydrophobicContact CB-CE2 3.92Å; K209-Y211 HydrophobicContact CD-CE1 4.45Å; K209-Y211 HydrophobicContact CD-CE2 3.72Å; K209-Y211 VanDerWaalsContact CD-OH 3.28Å; K209-Y211 WeakPolarHBondContact CD-OH 3.4Å; K209-Y211 WeakPolarHBondContact CE-OH 3.21Å; K209-Y211 HydrophobicContact CG-CD2 4.22Å; K209-Y211 HydrophobicContact CG-CE2 3.63Å; K209-Y211 PolarHBondContact NZ-OH 3.21Å; Y211-T253 VanDerWaalsContact CE1-OG1 3.25Å; Y211-T253 WeakPolarHBondContact CE1-OG1 3.26Å; Y211-T253 WeakPolarHBondContact OH-CG2 3.45Å; Y211-T253 PolarHBondContact OH-OG1 2.87Å; Y211-Y254 HydrophobicContact CE2-CE2 4.2Å; Y211-I265 HydrophobicContact CD1-CG2 3.6Å; Y211-I265 HydrophobicContact CD2-CG2 3.79Å; Y211-I265 HydrophobicContact CE1-CG2 4.19Å; Y211-I265 HydrophobicContact CE2-CG2 4.37Å; Y211-I265 HydrophobicContact CG-CG2 3.35Å; Y211-L266 WeakPolarHBondContact CD1-O 3.25Å; Y211-E515 PolarHBondContact OH-OE2 3.48Å
212A95.4Very high95.1Very high7 Ų717.8 Ų17.86%0.0588%0.084CC..EExtended strand (participates in β ladder)trans-93.8132.4160.100000109.7I191 V199 Y200 I265 L266 L268I191-A212 HydrophobicContact CD1-CB 4.1Å; V199-A212 HydrophobicContact CG1-CB 4.06Å; Y200-A212 CarbonylContact O-C 3.58Å; Y200-A212 WeakPolarHBondContact O-CA 3.47Å; A212-I265 WeakPolarHBondContact O-CA 3.34Å; A212-L266 HydrophobicContact CB-CB 4.36Å; A212-L266 PolarHBondContact N-O 2.84Å; A212-L266 PolarHBondContact O-N 2.87Å; A212-L268 HydrophobicContact CB-CD1 4.07Å
213M97.5Very high95.1Very high0 Ų021.6 Ų21.60%010%0.104CC..EExtended strand (participates in β ladder)trans-110.2104.4177.7179-173.3-7900109.4M182 F185 V187 V199 Y200 C202 C215 V263 F264 I265M182-M213 HydrophobicContact CE-CE 4.13Å; M182-M213 HydrophobicContact CE-SD 3.47Å; M182-M213 WeakPolarHBondContact CE-SD 3.19Å; M182-M213 HydrophobicContact SD-CE 4.25Å; M182-M213 HydrophobicContact SD-SD 4Å; F185-M213 HydrophobicContact CB-CE 3.41Å; F185-M213 VanDerWaalsContact CB-CE 3.41Å; F185-M213 HydrophobicContact CD1-CE 4.1Å; F185-M213 HydrophobicContact CD2-CE 3.69Å; F185-M213 HydrophobicContact CG-CE 3.45Å; F185-M213 VanDerWaalsContact CG-CE 3.45Å; V187-M213 HydrophobicContact CG2-CE 3.98Å; V187-M213 HydrophobicContact CG2-SD 3.84Å; V199-M213 CarbonylContact C-O 3.51Å; V199-M213 WeakPolarHBondContact CA-O 3.15Å; Y200-M213 PolarHBondContact N-O 2.75Å; Y200-M213 PolarHBondContact O-N 3.39Å; C202-M213 HydrophobicContact CB-CB 4.2Å; C202-M213 HydrophobicContact CB-CE 4.24Å; M213-C215 VanDerWaalsContact CG-SG 3.59Å; M213-C215 VanDerWaalsContact SD-SG 3.66Å; M213-V263 HydrophobicContact CE-CG1 4.39Å; M213-V263 HydrophobicContact CG-CG1 3.5Å; M213-V263 VanDerWaalsContact CG-CG1 3.5Å; M213-V263 HydrophobicContact SD-CG1 4.1Å; M213-F264 CarbonylContact C-O 3.53Å; M213-F264 WeakPolarHBondContact CA-O 3.3Å; M213-I265 HydrophobicContact CB-CD1 3.99Å; M213-I265 HydrophobicContact CE-CD1 3.79Å; M213-I265 HydrophobicContact CG-CD1 3.86Å
214K96.4Very high95Very high27 Ų2725.8 Ų25.812%0.11712%0.123CC..EExtended strand (participates in β ladder)trans-89.3108.2174.8-178.2175.3-173.8-176.30108.9V199 L216 E233 V263 F264 L266 D330V199-K214 HydrophobicContact CG2-CB 4.11Å; V199-K214 HydrophobicContact CG2-CG 4.02Å; K214-L216 HydrophobicContact CD-CD2 4.44Å; K214-L216 HydrophobicContact CG-CD2 3.93Å; K214-E233 IonicContact NZ-OE1 2.85Å; K214-E233 PolarHBondContact NZ-OE1 3.32Å; K214-E233 IonicContact NZ-OE2 3.55Å; K214-E233 PolarHBondContact NZ-OE2 3.33Å; K214-V263 WeakPolarHBondContact O-CA 3.24Å; K214-F264 HydrophobicContact CB-CB 4.25Å; K214-F264 HydrophobicContact CB-CD2 4.48Å; K214-F264 HydrophobicContact CG-CD2 4.46Å; K214-F264 PolarHBondContact N-O 2.97Å; K214-F264 PolarHBondContact O-N 3.39Å; K214-L266 HydrophobicContact CB-CD1 4.15Å; K214-L266 HydrophobicContact CD-CD1 4.33Å; K214-D330 IonicContact NZ-OD1 3.84Å
215C97.2Very high94.9Very high8 Ų833.7 Ų33.75%0.05416%0.16CC..EExtended strand (participates in β ladder)trans-102.8111-179.2-71.20000110.1G197 E198 Y200 M213 K261 L262G197-C215 CarbonylContact C-O 3.55Å; G197-C215 WeakPolarHBondContact CA-O 3.49Å; E198-C215 PolarHBondContact N-O 2.87Å; E198-C215 PolarHBondContact O-N 3.35Å; Y200-C215 HydrophobicContact CD2-CB 4.47Å; Y200-C215 HydrophobicContact CE2-CB 4.06Å; M213-C215 VanDerWaalsContact CG-SG 3.59Å; M213-C215 VanDerWaalsContact SD-SG 3.66Å; C215-K261 HydrophobicContact CB-CD 4.45Å; C215-L262 CarbonylContact C-O 3.59Å; C215-L262 WeakPolarHBondContact CA-O 3.28Å
216L96.3Very high94.9Very high6 Ų633.5 Ų33.53%0.03116%0.158CC..EExtended strand (participates in β ladder)trans-97.5132174.2-46.5-173.1000110.6F196 K214 I221 A230 K261 L262 F264F196-L216 HydrophobicContact CB-CB 4.31Å; F196-L216 HydrophobicContact CB-CD2 4.14Å; K214-L216 HydrophobicContact CD-CD2 4.44Å; K214-L216 HydrophobicContact CG-CD2 3.93Å; L216-I221 HydrophobicContact CB-CD1 3.78Å; L216-I221 HydrophobicContact CB-CG1 4.47Å; L216-I221 HydrophobicContact CD1-CD1 4.29Å; L216-A230 HydrophobicContact CD1-CB 4.08Å; L216-K261 CarbonylContact O-C 3.57Å; L216-K261 WeakPolarHBondContact O-CA 3.49Å; L216-L262 HydrophobicContact CB-CB 4.31Å; L216-L262 PolarHBondContact N-O 2.83Å; L216-L262 PolarHBondContact O-N 3.37Å; L216-F264 HydrophobicContact CD1-CE2 3.75Å; L216-F264 HydrophobicContact CG-CE2 4.12Å
217D95.9Very high94.9Very high45 Ų4533.9 Ų33.924%0.24116%0.159CC..EExtended strand (participates in β ladder)trans-81.5121.1177.4179.3-33.1000110.2F196 K219 R220 I221F196-D217 PolarHBondContact O-N 2.9Å; D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 PolarHBondContact O-N 2.82Å; D217-K219 WeakPolarHBondContact OD1-CA 3.36Å; D217-K219 VanDerWaalsContact OD1-CB 3.27Å; D217-K219 WeakPolarHBondContact OD1-CB 3.46Å; D217-K219 PolarHBondContact OD1-N 3.49Å; D217-R220 HydrophobicContact CB-CB 3.84Å; D217-R220 WeakPolarHBondContact O-CB 3.36Å; D217-R220 PolarHBondContact O-N 3.07Å; D217-R220 VanDerWaalsContact O-N 3.09Å; D217-R220 PolarHBondContact OD1-N 2.96Å; D217-I221 WeakPolarHBondContact O-CG1 3.46Å; D217-I221 PolarHBondContact O-N 3.41Å
218K96.8Very high94.9Very high2 Ų239.3 Ų39.31%0.00919%0.192CC..Hα-helixtrans-60.9-35.5-179.1-72.8178.6172.4177.50112.7I221 K222 T258 D260 L262 L493 Y501K218-I221 PolarHBondContact O-N 2.86Å; K218-K222 WeakPolarHBondContact O-CB 3.48Å; K218-K222 PolarHBondContact O-N 3.3Å; K218-T258 PolarHBondContact NZ-O 3.05Å; K218-D260 WeakPolarHBondContact CB-O 3.35Å; K218-D260 WeakPolarHBondContact CG-O 3.33Å; K218-D260 PolarHBondContact N-O 2.9Å; K218-L262 HydrophobicContact CG-CD2 4.39Å; K218-L262 HydrophobicContact CG-CG 4.18Å; K218-L493 HydrophobicContact CB-CD1 3.74Å; K218-L493 HydrophobicContact CB-CD2 3.88Å; K218-L493 HydrophobicContact CB-CG 4.48Å; K218-L493 HydrophobicContact CD-CD1 4.1Å; K218-Y501 HydrophobicContact CD-CD2 4.29Å; K218-Y501 HydrophobicContact CD-CE2 4.31Å; K218-Y501 HydrophobicContact CG-CE2 4.23Å
219K96.1Very high95Very high72 Ų7242.6 Ų42.631%0.31321%0.209SC..Hα-helixtrans-67.9-38.9175.5-62.5179.5-179.9176.20110.7D217 K222 L223 V488 I491 L493D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 PolarHBondContact O-N 2.82Å; D217-K219 WeakPolarHBondContact OD1-CA 3.36Å; D217-K219 VanDerWaalsContact OD1-CB 3.27Å; D217-K219 WeakPolarHBondContact OD1-CB 3.46Å; D217-K219 PolarHBondContact OD1-N 3.49Å; K219-K222 PolarHBondContact O-N 3.41Å; K219-L223 WeakPolarHBondContact O-CB 3.44Å; K219-L223 PolarHBondContact O-N 2.93Å; K219-V488 HydrophobicContact CB-CB 3.9Å; K219-V488 HydrophobicContact CB-CG1 3.99Å; K219-V488 HydrophobicContact CD-CB 4.09Å; K219-V488 HydrophobicContact CD-CG2 4.34Å; K219-I491 HydrophobicContact CB-CB 4.18Å; K219-I491 HydrophobicContact CB-CG2 3.97Å; K219-I491 WeakPolarHBondContact CE-O 3.29Å; K219-I491 HydrophobicContact CG-CB 4.46Å; K219-I491 HydrophobicContact CG-CG2 4.25Å; K219-L493 HydrophobicContact CG-CD1 4.46Å; K219-L493 HydrophobicContact CG-CD2 4.39Å; K219-L493 HydrophobicContact CG-CG 4.24Å
220R95Very high95.1Very high12 Ų1240.2 Ų40.25%0.04520%0.199CC..Hα-helixtrans-65.7-42176.1-152.173.1163.5-93.333.8111.7D217 L223 K224 F483 D487D217-R220 HydrophobicContact CB-CB 3.84Å; D217-R220 WeakPolarHBondContact O-CB 3.36Å; D217-R220 PolarHBondContact O-N 3.07Å; D217-R220 VanDerWaalsContact O-N 3.09Å; D217-R220 PolarHBondContact OD1-N 2.96Å; R220-L223 PolarHBondContact O-N 3.48Å; R220-K224 WeakPolarHBondContact O-CB 3.5Å; R220-K224 PolarHBondContact O-N 3.18Å; R220-K224 VanDerWaalsContact O-N 3.16Å; R220-F483 VanDerWaalsContact NH1-CD2 3.33Å; R220-D487 IonicContact CZ-OD2 3.41Å; R220-D487 IonicContact NE-OD2 2.73Å; R220-D487 IonicContact NH2-OD2 3.66Å; R220-D487 PolarHBondContact NH2-OD2 3.35Å
221I95.7Very high95.3Very high0 Ų041.2 Ų41.20%021%0.205CC..Hα-helixtrans-57.6-52173.3-69.2167.4000109.6F196 L216 D217 K218 L223 K224 Q225 G226 E227 A230 L262 Y501F196-I221 HydrophobicContact CB-CG1 4.08Å; F196-I221 HydrophobicContact CD1-CB 4.43Å; F196-I221 HydrophobicContact CD1-CG1 3.89Å; F196-I221 HydrophobicContact CG-CG1 4.12Å; L216-I221 HydrophobicContact CB-CD1 3.78Å; L216-I221 HydrophobicContact CB-CG1 4.47Å; L216-I221 HydrophobicContact CD1-CD1 4.29Å; D217-I221 WeakPolarHBondContact O-CG1 3.46Å; D217-I221 PolarHBondContact O-N 3.41Å; K218-I221 PolarHBondContact O-N 2.86Å; I221-L223 PolarHBondContact O-N 3.19Å; I221-K224 CarbonylContact O-C 3.6Å; I221-K224 PolarHBondContact O-N 3.44Å; I221-Q225 PolarHBondContact O-N 3.02Å; I221-G226 VanDerWaalsContact CG2-C 3.46Å; I221-G226 PolarHBondContact O-N 2.86Å; I221-E227 HydrophobicContact CG2-CB 4.35Å; I221-E227 HydrophobicContact CG2-CG 3.92Å; I221-A230 HydrophobicContact CD1-CB 3.96Å; I221-L262 HydrophobicContact CD1-CD1 3.66Å; I221-L262 HydrophobicContact CD1-CG 4.29Å; I221-Y501 WeakPolarHBondContact CG2-OH 3.48Å
222K95.7Very high95.3Very high64 Ų6442.8 Ų42.828%0.27821%0.214SC..Hα-helixtrans-60.2-44.6179.7-178.6170.5-178.9171.80113.1K218 K219 K224 Q225 E227 I491 K492 L493 D497K218-K222 WeakPolarHBondContact O-CB 3.48Å; K218-K222 PolarHBondContact O-N 3.3Å; K219-K222 PolarHBondContact O-N 3.41Å; K222-K224 PolarHBondContact O-N 3.32Å; K222-Q225 PolarHBondContact O-N 3.25Å; K222-E227 WeakPolarHBondContact CA-OE1 3.25Å; K222-I491 HydrophobicContact CB-CG2 4.29Å; K222-I491 HydrophobicContact CD-CG2 3.91Å; K222-I491 HydrophobicContact CG-CG2 4.21Å; K222-K492 PolarHBondContact NZ-O 3.16Å; K222-L493 HydrophobicContact CD-CD2 4.39Å; K222-D497 IonicContact NZ-OD1 2.65Å; K222-D497 PolarHBondContact NZ-OD1 2.63Å; K222-D497 IonicContact NZ-OD2 2.69Å; K222-D497 PolarHBondContact NZ-OD2 3.32Å
223L93.9Very high95.3Very high81 Ų8143 Ų4342%0.42421%0.213SC..Hα-helixtrans-57.6-38.7177.6179.266.6000112K219 R220 I221 I491K219-L223 WeakPolarHBondContact O-CB 3.44Å; K219-L223 PolarHBondContact O-N 2.93Å; R220-L223 PolarHBondContact O-N 3.48Å; I221-L223 PolarHBondContact O-N 3.19Å; L223-I491 HydrophobicContact CB-CG1 4.46Å; L223-I491 HydrophobicContact CD1-CD1 4.07Å; L223-I491 HydrophobicContact CD1-CG1 4.31Å
224K93.1Very high95.3Very high109 Ų10944.9 Ų44.947%0.47422%0.22SC..THydrogen-bonded Turntrans-97.85-176.4-69.5-177.2-180-177.20113.9G195 F196 R220 I221 K222 G226G195-K224 PolarHBondContact O-NZ 2.78Å; F196-K224 HydrophobicContact CD1-CB 4.44Å; F196-K224 HydrophobicContact CD1-CD 4.24Å; F196-K224 HydrophobicContact CE1-CB 3.72Å; F196-K224 HydrophobicContact CE1-CD 4.04Å; R220-K224 WeakPolarHBondContact O-CB 3.5Å; R220-K224 PolarHBondContact O-N 3.18Å; R220-K224 VanDerWaalsContact O-N 3.16Å; I221-K224 CarbonylContact O-C 3.6Å; I221-K224 PolarHBondContact O-N 3.44Å; K222-K224 PolarHBondContact O-N 3.32Å; K224-G226 PolarHBondContact O-N 3.05Å
225Q94.4Very high95.3Very high167 Ų16747 Ų4778%0.7823%0.232SC*.THydrogen-bonded Turntrans53.341-175.9-57.6178.4-18.300112.8I221 K222 E227I221-Q225 PolarHBondContact O-N 3.02Å; K222-Q225 PolarHBondContact O-N 3.25Å; Q225-E227 VanDerWaalsContact CA-OE2 3.24Å; Q225-E227 WeakPolarHBondContact CA-OE2 3.39Å
226G94Very high95.3Very high1 Ų147 Ų471%0.0123%0.231CC..  trans-93.29.9-173.600000115.3I221 K224 T228 L229 A230I221-G226 VanDerWaalsContact CG2-C 3.46Å; I221-G226 PolarHBondContact O-N 2.86Å; K224-G226 PolarHBondContact O-N 3.05Å; G226-T228 VanDerWaalsContact C-N 3.32Å; G226-T228 PolarHBondContact O-N 2.87Å; G226-L229 WeakPolarHBondContact O-CB 3.38Å; G226-L229 PolarHBondContact O-N 2.81Å; G226-L229 VanDerWaalsContact O-N 3.09Å; G226-A230 PolarHBondContact O-N 3.1Å
227E95.1Very high95.4Very high37 Ų3746.8 Ų46.817%0.17323%0.23CC..Hα-helixtrans-59.3-44.5-171.4-61.883.817100111.2I221 K222 Q225 L229 A230 L231 L500 Y501I221-E227 HydrophobicContact CG2-CB 4.35Å; I221-E227 HydrophobicContact CG2-CG 3.92Å; K222-E227 WeakPolarHBondContact CA-OE1 3.25Å; Q225-E227 VanDerWaalsContact CA-OE2 3.24Å; Q225-E227 WeakPolarHBondContact CA-OE2 3.39Å; E227-L229 VanDerWaalsContact C-N 3.31Å; E227-L229 PolarHBondContact O-N 2.87Å; E227-A230 PolarHBondContact O-N 3.25Å; E227-L231 WeakPolarHBondContact O-CB 3.41Å; E227-L231 WeakPolarHBondContact O-CG 3.44Å; E227-L231 PolarHBondContact O-N 2.88Å; E227-L500 HydrophobicContact CB-CD1 4.46Å; E227-L500 HydrophobicContact CG-CD1 4.07Å; E227-Y501 WeakPolarHBondContact CG-OH 3.22Å
228T93.5Very high95.4Very high114 Ų11445.7 Ų45.770%0.69923%0.226SC*.Hα-helixtrans-62.6-37.8177.1-53.20000111.9G226 N232G226-T228 VanDerWaalsContact C-N 3.32Å; G226-T228 PolarHBondContact O-N 2.87Å; T228-N232 WeakPolarHBondContact O-CB 3.28Å; T228-N232 PolarHBondContact O-N 2.8Å
229L92.5Very high95.4Very high68 Ų6848.6 Ų48.636%0.35624%0.241SC..Hα-helixtrans-67.1-45.9178.1-72.9170.6000111.5F196 G226 E227 N232 E233 L333F196-L229 HydrophobicContact CE2-CD1 4.2Å; F196-L229 HydrophobicContact CZ-CD1 4.1Å; G226-L229 WeakPolarHBondContact O-CB 3.38Å; G226-L229 PolarHBondContact O-N 2.81Å; G226-L229 VanDerWaalsContact O-N 3.09Å; E227-L229 VanDerWaalsContact C-N 3.31Å; E227-L229 PolarHBondContact O-N 2.87Å; L229-N232 PolarHBondContact O-N 2.86Å; L229-E233 PolarHBondContact O-N 2.54Å; L229-L333 HydrophobicContact CD2-CD2 3.57Å
230A95Very high95.3Very high1 Ų145.2 Ų45.21%0.00823%0.227CC..Hα-helixtrans-64.2-42179.300000112.3L216 I221 G226 E227 R234 L262L216-A230 HydrophobicContact CD1-CB 4.08Å; I221-A230 HydrophobicContact CD1-CB 3.96Å; G226-A230 PolarHBondContact O-N 3.1Å; E227-A230 PolarHBondContact O-N 3.25Å; A230-R234 PolarHBondContact O-N 3.04Å; A230-L262 HydrophobicContact CB-CD1 3.91Å
231L96.2Very high95.4Very high44 Ų4444.8 Ų44.823%0.2323%0.226CC..Hα-helixtrans-68.6-39.6175.4-71.8172.8000112.1E227 R234 I235 Y501 F504E227-L231 WeakPolarHBondContact O-CB 3.41Å; E227-L231 WeakPolarHBondContact O-CG 3.44Å; E227-L231 PolarHBondContact O-N 2.88Å; L231-R234 PolarHBondContact O-N 3.47Å; L231-I235 WeakPolarHBondContact O-CG1 3.17Å; L231-I235 PolarHBondContact O-N 2.94Å; L231-I235 VanDerWaalsContact O-N 3.11Å; L231-Y501 HydrophobicContact CD2-CD1 3.95Å; L231-Y501 HydrophobicContact CD2-CE1 4.37Å; L231-Y501 HydrophobicContact CG-CD1 4.38Å; L231-Y501 HydrophobicContact CG-CE1 4.32Å; L231-F504 HydrophobicContact CD2-CD2 4.34Å
232N95.3Very high95.2Very high34 Ų3447.5 Ų47.518%0.18224%0.243CC..Hα-helixtrans-61.5-45.8176.1-175.666.2000111T228 L229 R234 I235 M236 G332 A334T228-N232 WeakPolarHBondContact O-CB 3.28Å; T228-N232 PolarHBondContact O-N 2.8Å; L229-N232 PolarHBondContact O-N 2.86Å; N232-R234 VanDerWaalsContact C-N 3.28Å; N232-R234 PolarHBondContact O-N 3.31Å; N232-I235 PolarHBondContact O-N 2.87Å; N232-I235 VanDerWaalsContact O-N 3.08Å; N232-M236 VanDerWaalsContact O-CG 3.3Å; N232-M236 WeakPolarHBondContact O-CG 3.31Å; N232-M236 PolarHBondContact O-N 3.19Å; N232-G332 PolarHBondContact ND2-O 3.27Å; N232-A334 PolarHBondContact ND2-O 2.82Å
233E96Very high94.7Very high10 Ų1046.4 Ų46.45%0.04725%0.249CC..Hα-helixtrans-54.8-45.6176.9-166.2173.2177.100111.4K214 L229 I235 M236 L237 F264K214-E233 IonicContact NZ-OE1 2.85Å; K214-E233 PolarHBondContact NZ-OE1 3.32Å; K214-E233 IonicContact NZ-OE2 3.55Å; K214-E233 PolarHBondContact NZ-OE2 3.33Å; L229-E233 PolarHBondContact O-N 2.54Å; E233-I235 PolarHBondContact O-N 3.38Å; E233-M236 PolarHBondContact O-N 3.08Å; E233-L237 HydrophobicContact CG-CD1 3.85Å; E233-L237 HydrophobicContact CG-CG 4.36Å; E233-L237 VanDerWaalsContact O-CB 3.25Å; E233-L237 WeakPolarHBondContact O-CB 3.26Å; E233-L237 WeakPolarHBondContact O-CG 3.27Å; E233-L237 PolarHBondContact O-N 3.21Å; E233-F264 HydrophobicContact CB-CZ 4.38Å
234R97.2Very high94Very high41 Ų4148 Ų4816%0.15525%0.254CS..Hα-helixtrans-60.4-42.5176.5-168.3-149.265.283.11113.1A230 L231 N232 S238 A255 F264 F504A230-R234 PolarHBondContact O-N 3.04Å; L231-R234 PolarHBondContact O-N 3.47Å; N232-R234 VanDerWaalsContact C-N 3.28Å; N232-R234 PolarHBondContact O-N 3.31Å; R234-S238 WeakPolarHBondContact O-CB 3.47Å; R234-S238 PolarHBondContact O-N 3.28Å; R234-A255 HydrophobicContact CG-CB 4.24Å; R234-F264 HydrophobicContact CB-CE1 3.72Å; R234-F264 HydrophobicContact CB-CZ 4.23Å; R234-F264 HydrophobicContact CG-CE1 4.12Å; R234-F504 HydrophobicContact CB-CD2 4.37Å; R234-F504 HydrophobicContact CB-CE2 3.99Å; R234-F504 WeakPolarHBondContact CD-O 3.36Å; R234-F504 HydrophobicContact CG-CD2 4.23Å; R234-F504 HydrophobicContact CG-CE2 4.07Å
235I97Very high93.4Very high72 Ų7246.9 Ų46.937%0.36925%0.253SS..Hα-helixtrans-66.7-49178.6-63.3164000109.7L231 N232 E233 S238 L239L231-I235 WeakPolarHBondContact O-CG1 3.17Å; L231-I235 PolarHBondContact O-N 2.94Å; L231-I235 VanDerWaalsContact O-N 3.11Å; N232-I235 PolarHBondContact O-N 2.87Å; N232-I235 VanDerWaalsContact O-N 3.08Å; E233-I235 PolarHBondContact O-N 3.38Å; I235-S238 WeakPolarHBondContact O-CB 3.23Å; I235-S238 PolarHBondContact O-N 3.36Å; I235-L239 HydrophobicContact CG2-CD1 4.2Å; I235-L239 WeakPolarHBondContact O-CG 3.39Å; I235-L239 PolarHBondContact O-N 3.2Å
236M97.2Very high93.2Very high6 Ų639 Ų393%0.0322%0.217CC..Hα-helixtrans-62.1-46.3-178.7-64.3-60.6102.400111.3N232 E233 S238 L239 V240 I308 L331 A334 D336N232-M236 VanDerWaalsContact O-CG 3.3Å; N232-M236 WeakPolarHBondContact O-CG 3.31Å; N232-M236 PolarHBondContact O-N 3.19Å; E233-M236 PolarHBondContact O-N 3.08Å; M236-S238 VanDerWaalsContact C-N 3.3Å; M236-S238 PolarHBondContact O-N 2.76Å; M236-L239 HydrophobicContact CE-CD1 3.87Å; M236-L239 PolarHBondContact O-N 2.86Å; M236-V240 WeakPolarHBondContact O-CG2 3.42Å; M236-V240 PolarHBondContact O-N 2.84Å; M236-I308 HydrophobicContact SD-CG2 4.2Å; M236-L331 HydrophobicContact CB-CB 3.97Å; M236-L331 HydrophobicContact CB-CD2 4.37Å; M236-A334 HydrophobicContact CB-CB 4.19Å; M236-A334 HydrophobicContact CG-CB 3.82Å; M236-A334 HydrophobicContact SD-CB 4.1Å; M236-D336 HydrophobicContact CE-CB 4.01Å
237L97.3Very high93.2Very high3 Ų339.8 Ų39.82%0.01622%0.222CC..Hα-helixtrans-57.5-42.6174-80.1168.4000111.8E233 L239 V240 S241 M252 F264 L266 L331E233-L237 HydrophobicContact CG-CD1 3.85Å; E233-L237 HydrophobicContact CG-CG 4.36Å; E233-L237 VanDerWaalsContact O-CB 3.25Å; E233-L237 WeakPolarHBondContact O-CB 3.26Å; E233-L237 WeakPolarHBondContact O-CG 3.27Å; E233-L237 PolarHBondContact O-N 3.21Å; L237-L239 PolarHBondContact O-N 3.01Å; L237-V240 WeakPolarHBondContact O-CG2 3.32Å; L237-S241 WeakPolarHBondContact O-CB 3.37Å; L237-S241 PolarHBondContact O-N 3.03Å; L237-S241 PolarHBondContact O-OG 2.78Å; L237-M252 HydrophobicContact CB-CB 3.86Å; L237-M252 HydrophobicContact CB-CE 4.14Å; L237-M252 HydrophobicContact CB-SD 3.98Å; L237-M252 HydrophobicContact CD1-CB 4.3Å; L237-M252 HydrophobicContact CD1-SD 4.18Å; L237-M252 HydrophobicContact CD2-CB 4.15Å; L237-M252 HydrophobicContact CG-CB 4.35Å; L237-F264 HydrophobicContact CD1-CD1 3.7Å; L237-F264 HydrophobicContact CD1-CE1 4.02Å; L237-F264 HydrophobicContact CD1-CG 4.43Å; L237-L266 HydrophobicContact CD1-CD2 3.88Å; L237-L266 HydrophobicContact CD2-CD2 4.01Å; L237-L331 HydrophobicContact CD2-CD1 3.47Å; L237-L331 VanDerWaalsContact CD2-CD1 3.47Å; L237-L331 HydrophobicContact CG-CD1 4.07Å
238S96.6Very high93.3Very high22 Ų2238 Ų3815%0.15421%0.214CC..Hα-helixtrans-60.8-45.2176.4-172.60000111.8R234 I235 M236 S241 T242R234-S238 WeakPolarHBondContact O-CB 3.47Å; R234-S238 PolarHBondContact O-N 3.28Å; I235-S238 WeakPolarHBondContact O-CB 3.23Å; I235-S238 PolarHBondContact O-N 3.36Å; M236-S238 VanDerWaalsContact C-N 3.3Å; M236-S238 PolarHBondContact O-N 2.76Å; S238-S241 PolarHBondContact O-N 2.52Å; S238-T242 VanDerWaalsContact O-CG2 3.29Å; S238-T242 WeakPolarHBondContact O-CG2 3.24Å; S238-T242 PolarHBondContact O-N 3.27Å; S238-T242 PolarHBondContact O-OG1 2.88Å; S238-T242 VanDerWaalsContact O-OG1 3.12Å
239L95.7Very high93.5Very high62 Ų6232.6 Ų32.633%0.32518%0.18SC..Hα-helixtrans-67.8-38.5-177.4-66171.6000112.8I235 M236 L237 T242 R306 I308 D336I235-L239 HydrophobicContact CG2-CD1 4.2Å; I235-L239 WeakPolarHBondContact O-CG 3.39Å; I235-L239 PolarHBondContact O-N 3.2Å; M236-L239 HydrophobicContact CE-CD1 3.87Å; M236-L239 PolarHBondContact O-N 2.86Å; L237-L239 PolarHBondContact O-N 3.01Å; L239-T242 PolarHBondContact O-OG1 3.4Å; L239-R306 WeakPolarHBondContact O-CD 3.45Å; L239-I308 HydrophobicContact CB-CD1 3.7Å; L239-I308 HydrophobicContact CD1-CD1 4.3Å; L239-D336 HydrophobicContact CD1-CB 4.36Å
240V95.9Very high93.7Very high1 Ų129.6 Ų29.61%0.00617%0.165CC..Hα-helixtrans-77.9-26.2179.5-58.70000113.1M236 L237 I249 H302 M303 I308 L331M236-V240 WeakPolarHBondContact O-CG2 3.42Å; M236-V240 PolarHBondContact O-N 2.84Å; L237-V240 WeakPolarHBondContact O-CG2 3.32Å; V240-I249 HydrophobicContact CG2-CG2 4.19Å; V240-H302 PolarHBondContact O-NE2 2.83Å; V240-M303 HydrophobicContact CG1-CG 4.15Å; V240-I308 HydrophobicContact CG1-CD1 3.55Å; V240-L331 HydrophobicContact CG1-CD2 4.08Å; V240-L331 HydrophobicContact CG2-CD1 3.99Å; V240-L331 HydrophobicContact CG2-CD2 4.46Å
241S95.8Very high93.8Very high4 Ų429.6 Ų29.63%0.02816%0.164CC..Hα-helixtrans-90.4-7.9-175-51.70000114.1L237 S238 C251 M252 I508L237-S241 WeakPolarHBondContact O-CB 3.37Å; L237-S241 PolarHBondContact O-N 3.03Å; L237-S241 PolarHBondContact O-OG 2.78Å; S238-S241 PolarHBondContact O-N 2.52Å; S241-C251 WeakPolarHBondContact OG-CA 3.25Å; S241-C251 WeakPolarHBondContact OG-CB 3.49Å; S241-M252 WeakPolarHBondContact CB-O 3.23Å; S241-M252 PolarHBondContact OG-N 2.9Å; S241-I508 WeakPolarHBondContact O-CG2 3.36Å
242T91Very high93.9Very high57 Ų5727.5 Ų27.535%0.3515%0.153SC..SBendtrans-98.6147.2176.353.80000112.7S238 L239 R306 I508S238-T242 VanDerWaalsContact O-CG2 3.29Å; S238-T242 WeakPolarHBondContact O-CG2 3.24Å; S238-T242 PolarHBondContact O-N 3.27Å; S238-T242 PolarHBondContact O-OG1 2.88Å; S238-T242 VanDerWaalsContact O-OG1 3.12Å; L239-T242 PolarHBondContact O-OG1 3.4Å; T242-R306 PolarHBondContact O-NH2 3.1Å; T242-I508 HydrophobicContact CG2-CD1 4.17Å; T242-I508 HydrophobicContact CG2-CG2 4.07Å
243G85.3Confident94Very high40 Ų4025.9 Ų25.941%0.41215%0.145SC..SBendtrans85.2-137.3-176.800000111.9D245 E510G243-D245 PolarHBondContact O-N 2.8Å; G243-E510 WeakPolarHBondContact CA-OE1 3.45Å; G243-E510 WeakPolarHBondContact CA-OE2 3.25Å; G243-E510 PolarHBondContact N-OE1 2.65Å; G243-E510 PolarHBondContact N-OE2 3.34Å
244Q79.1Confident94.1Very high115 Ų11525.4 Ų25.454%0.53714%0.143SC..SBendtrans-57.3130.2176.6-175175.30.600110.8H302 Y457Q244-H302 PolarHBondContact O-CE1 3.15Å; Q244-Y457 PolarHBondContact NE2-OH 2.86Å; Q244-Y457 VanDerWaalsContact NE2-OH 3.09Å
245D81.4Confident94.2Very high85 Ų8523.6 Ų23.646%0.45514%0.136SC..  trans-67.4145.1175.8-167.823.5000110.8G243 Y457 R511G243-D245 PolarHBondContact O-N 2.8Å; D245-Y457 PolarHBondContact O-OH 2.95Å; D245-R511 IonicContact OD1-CZ 2.71Å; D245-R511 IonicContact OD1-NH1 2.84Å; D245-R511 PolarHBondContact OD1-NH1 2.99Å; D245-R511 IonicContact OD1-NH2 3.59Å
246C89.7Confident94.2Very high2 Ų220.2 Ų20.21%0.01412%0.119CC..  trans-119.1117.9177.3-173.90000110F248 I249 H302C246-F248 PolarHBondContact O-N 3.45Å; C246-I249 HydrophobicContact CB-CD1 4.25Å; C246-I249 HydrophobicContact CB-CG1 4.48Å; C246-H302 HydrophobicContact CB-CB 4.31Å
247P94.2Very high94.2Very high17 Ų1722.1 Ų22.111%0.1113%0.128CC..THydrogen-bonded Turntrans-72.8-7.618017.6-17.9000114.3R327 Y457 R459P247-R327 WeakPolarHBondContact O-CD 3.44Å; P247-R327 VanDerWaalsContact O-CG 3.31Å; P247-R327 WeakPolarHBondContact O-CG 3.44Å; P247-R327 VanDerWaalsContact O-CZ 3.3Å; P247-R327 PolarHBondContact O-NE 3.41Å; P247-Y457 HydrophobicContact CG-CD2 4.39Å; P247-Y457 HydrophobicContact CG-CE2 4.33Å; P247-Y457 VanDerWaalsContact CG-O 3.3Å; P247-Y457 WeakPolarHBondContact CG-O 3.35Å; P247-R459 HydrophobicContact CB-CG 4.17Å
248F97.8Very high94.1Very high1 Ų123.1 Ų23.10%0.00413%0.134CC..THydrogen-bonded Turntrans-113.811.7-171-48.6-65.1000114C246 E295 L298 R327 I328 V456 Y457 R459C246-F248 PolarHBondContact O-N 3.45Å; F248-E295 WeakPolarHBondContact CB-O 3.38Å; F248-E295 HydrophobicContact CD1-CB 3.66Å; F248-E295 HydrophobicContact CD1-CG 4.01Å; F248-E295 HydrophobicContact CE1-CB 3.85Å; F248-E295 HydrophobicContact CE1-CG 3.69Å; F248-E295 HydrophobicContact CG-CB 4.5Å; F248-E295 WeakPolarHBondContact CG-O 3.45Å; F248-L298 HydrophobicContact CD2-CB 3.35Å; F248-L298 HydrophobicContact CD2-CD1 4.21Å; F248-L298 HydrophobicContact CD2-CG 4.42Å; F248-L298 HydrophobicContact CE2-CB 3.43Å; F248-L298 VanDerWaalsContact CE2-CB 3.43Å; F248-L298 HydrophobicContact CE2-CD1 3.36Å; F248-L298 HydrophobicContact CE2-CG 4.03Å; F248-L298 HydrophobicContact CG-CB 4.22Å; F248-L298 HydrophobicContact CZ-CB 4.36Å; F248-L298 HydrophobicContact CZ-CD1 3.75Å; F248-R327 CarbonylContact O-C 3.47Å; F248-R327 VanDerWaalsContact O-CA 3.32Å; F248-R327 WeakPolarHBondContact O-CA 3.38Å; F248-I328 PolarHBondContact O-N 3.48Å; F248-V456 HydrophobicContact CE1-CG1 4.36Å; F248-V456 HydrophobicContact CZ-CG1 4.04Å; F248-V456 VanDerWaalsContact CZ-O 3.28Å; F248-V456 WeakPolarHBondContact CZ-O 3.34Å; F248-Y457 HydrophobicContact CE2-CD2 4.07Å; F248-R459 HydrophobicContact CE1-CG 4.31Å
249I97.7Very high94Very high0 Ų027.4 Ų27.40%016%0.161CC..BIsolated β-bridgetrans-130.3138.9175.5-58.6169.7000108.2V240 C246 C251 H302 M303 R327 I328 L331V240-I249 HydrophobicContact CG2-CG2 4.19Å; C246-I249 HydrophobicContact CB-CD1 4.25Å; C246-I249 HydrophobicContact CB-CG1 4.48Å; I249-C251 PolarHBondContact O-N 2.81Å; I249-C251 VanDerWaalsContact O-N 3.14Å; I249-H302 HydrophobicContact CD1-CB 4.05Å; I249-H302 VanDerWaalsContact CD1-CD2 3.48Å; I249-H302 WeakPolarHBondContact CD1-CD2 3.31Å; I249-M303 HydrophobicContact CB-CE 4.48Å; I249-M303 HydrophobicContact CD1-CE 3.62Å; I249-M303 HydrophobicContact CD1-CG 3.68Å; I249-M303 HydrophobicContact CG1-CE 3.71Å; I249-M303 HydrophobicContact CG2-CE 3.94Å; I249-R327 WeakPolarHBondContact O-CD 3.36Å; I249-R327 PolarHBondContact O-NH1 3.5Å; I249-I328 WeakPolarHBondContact CA-O 3.45Å; I249-L331 HydrophobicContact CG2-CD1 4.22Å
250V97.1Very high93.9Very high5 Ų527.9 Ų27.93%0.0316%0.164CC..  trans-72103.3168.8177.80000108L266 D267 M269 L319 R327 I328V250-L266 HydrophobicContact CG1-CB 3.83Å; V250-L266 HydrophobicContact CG1-CD1 4.32Å; V250-D267 HydrophobicContact CG1-CB 4.32Å; V250-M269 HydrophobicContact CG2-CG 3.71Å; V250-M269 HydrophobicContact CG2-SD 4.46Å; V250-L319 HydrophobicContact CG2-CD1 4.33Å; V250-R327 HydrophobicContact CG2-CB 3.8Å; V250-I328 PolarHBondContact N-O 3.33Å
251C97Very high94Very high0 Ų030.9 Ų30.90%018%0.177CC..  trans-93.1157.6-176.5-72.50000111.6S241 I249 L266 D267S241-C251 WeakPolarHBondContact OG-CA 3.25Å; S241-C251 WeakPolarHBondContact OG-CB 3.49Å; I249-C251 PolarHBondContact O-N 2.81Å; I249-C251 VanDerWaalsContact O-N 3.14Å; C251-L266 CarbonylContact O-C 3.56Å; C251-L266 VanDerWaalsContact O-CA 3.3Å; C251-L266 WeakPolarHBondContact O-CA 3.32Å; C251-D267 WeakPolarHBondContact CB-OD2 3.35Å; C251-D267 PolarHBondContact N-OD2 2.92Å; C251-D267 PolarHBondContact O-N 3.21Å
252M97.8Very high94.1Very high0 Ų030.7 Ų30.70%018%0.176CC..EExtended strand (participates in β ladder)trans-97.1133.9178.1-179.2-179.472.300110.4L237 S241 Y254 A255 F264 I265 L266 I506 I508 R511L237-M252 HydrophobicContact CB-CB 3.86Å; L237-M252 HydrophobicContact CB-CE 4.14Å; L237-M252 HydrophobicContact CB-SD 3.98Å; L237-M252 HydrophobicContact CD1-CB 4.3Å; L237-M252 HydrophobicContact CD1-SD 4.18Å; L237-M252 HydrophobicContact CD2-CB 4.15Å; L237-M252 HydrophobicContact CG-CB 4.35Å; S241-M252 WeakPolarHBondContact CB-O 3.23Å; S241-M252 PolarHBondContact OG-N 2.9Å; M252-Y254 WeakPolarHBondContact CG-O 3.47Å; M252-A255 HydrophobicContact SD-CB 3.75Å; M252-F264 HydrophobicContact SD-CD1 3.84Å; M252-F264 HydrophobicContact SD-CE1 4.47Å; M252-I265 WeakPolarHBondContact CA-O 3.47Å; M252-L266 HydrophobicContact CB-CD2 3.79Å; M252-L266 HydrophobicContact CG-CD2 4.18Å; M252-I506 HydrophobicContact CE-CG2 3.61Å; M252-I506 HydrophobicContact SD-CG2 4.46Å; M252-I508 HydrophobicContact CE-CD1 4Å; M252-I508 HydrophobicContact CE-CG1 4.21Å; M252-I508 VanDerWaalsContact O-CG1 3.23Å; M252-I508 WeakPolarHBondContact O-CG1 3.35Å; M252-R511 WeakPolarHBondContact O-CD 3.3Å
253T97.7Very high94.4Very high0 Ų028 Ų280%016%0.159CC..EExtended strand (participates in β ladder)trans-96.1-41.7167.9-53.20000111Y211 I265 I508 R511Y211-T253 VanDerWaalsContact CE1-OG1 3.25Å; Y211-T253 WeakPolarHBondContact CE1-OG1 3.26Å; Y211-T253 WeakPolarHBondContact OH-CG2 3.45Å; Y211-T253 PolarHBondContact OH-OG1 2.87Å; T253-I265 PolarHBondContact N-O 3.36Å; T253-I508 PolarHBondContact O-N 3.29Å; T253-R511 HydrophobicContact CG2-CB 3.8Å
254Y98.2Very high95.1Very high0 Ų026.1 Ų26.10%014%0.14CC..EExtended strand (participates in β ladder)trans-138147.7-177.9-43.5-78.1000110.9L178 L180 F185 K204 Y211 M252 I265 I506 T507 W512 E515L178-Y254 HydrophobicContact CD2-CD1 4.13Å; L178-Y254 HydrophobicContact CD2-CE1 3.76Å; L180-Y254 HydrophobicContact CD1-CD1 3.48Å; L180-Y254 VanDerWaalsContact CD1-CD1 3.48Å; L180-Y254 HydrophobicContact CD1-CD2 4.09Å; L180-Y254 HydrophobicContact CD1-CE1 4.14Å; L180-Y254 HydrophobicContact CD1-CG 3.44Å; L180-Y254 VanDerWaalsContact CD1-CG 3.44Å; F185-Y254 HydrophobicContact CZ-CD2 4.38Å; K204-Y254 HydrophobicContact CD-CE2 3.96Å; K204-Y254 WeakPolarHBondContact CE-OH 3.34Å; Y211-Y254 HydrophobicContact CE2-CE2 4.2Å; M252-Y254 WeakPolarHBondContact CG-O 3.47Å; Y254-I265 HydrophobicContact CD2-CB 3.68Å; Y254-I265 HydrophobicContact CD2-CG1 3.98Å; Y254-I265 HydrophobicContact CD2-CG2 3.67Å; Y254-I265 HydrophobicContact CE2-CG2 4.3Å; Y254-I265 HydrophobicContact CG-CB 4.31Å; Y254-I265 HydrophobicContact CG-CG1 4.45Å; Y254-I265 PolarHBondContact N-O 3.28Å; Y254-I265 PolarHBondContact O-N 3.44Å; Y254-I506 CarbonylContact C-O 3.57Å; Y254-I506 WeakPolarHBondContact CA-O 3.46Å; Y254-T507 HydrophobicContact CD1-CG2 3.85Å; Y254-T507 HydrophobicContact CE1-CG2 3.82Å; Y254-W512 HydrophobicContact CE1-CB 4.31Å; Y254-W512 AromaticContact CE1-CD1 3.76Å; Y254-W512 HydrophobicContact CE1-CG 4.41Å; Y254-W512 VanDerWaalsContact OH-CD1 3.31Å; Y254-E515 PolarHBondContact OH-OE2 2.97Å
255A98.4Very high96Very high3 Ų320.6 Ų20.63%0.02511%0.114CC..EExtended strand (participates in β ladder)trans-127139.715400000109.1R234 M252 V263 F264 F504 N505 I506R234-A255 HydrophobicContact CG-CB 4.24Å; M252-A255 HydrophobicContact SD-CB 3.75Å; A255-V263 CarbonylContact C-O 3.48Å; A255-V263 VanDerWaalsContact CA-O 3.25Å; A255-V263 WeakPolarHBondContact CA-O 3.06Å; A255-F264 HydrophobicContact CB-CD1 4.14Å; A255-F264 HydrophobicContact CB-CE1 4.49Å; A255-F504 HydrophobicContact CB-CD1 4.2Å; A255-F504 HydrophobicContact CB-CE1 3.66Å; A255-F504 HydrophobicContact CB-CZ 4.06Å; A255-N505 CarbonylContact O-C 3.57Å; A255-N505 VanDerWaalsContact O-CA 3.24Å; A255-N505 WeakPolarHBondContact O-CA 3.16Å; A255-I506 HydrophobicContact CB-CG2 3.86Å; A255-I506 PolarHBondContact N-O 3.36Å; A255-I506 PolarHBondContact O-N 2.77Å
256F98.1Very high96.8Very high2 Ų217.1 Ų17.11%0.00910%0.095CC..EExtended strand (participates in β ladder)trans-149.4168.3174.567.2-85.3000110.1L180 M182 F185 V263 I265 F504 N505L180-F256 HydrophobicContact CB-CB 4.22Å; L180-F256 HydrophobicContact CB-CD1 3.84Å; L180-F256 HydrophobicContact CB-CD2 4.43Å; L180-F256 HydrophobicContact CB-CE1 4.29Å; L180-F256 HydrophobicContact CB-CG 3.91Å; L180-F256 HydrophobicContact CD1-CD1 4.22Å; L180-F256 WeakPolarHBondContact O-CD2 3.33Å; M182-F256 HydrophobicContact CG-CE2 4.47Å; M182-F256 HydrophobicContact SD-CE2 4.05Å; M182-F256 HydrophobicContact SD-CZ 4.01Å; F185-F256 HydrophobicContact CD2-CE1 4.21Å; F185-F256 HydrophobicContact CD2-CZ 4.07Å; F185-F256 HydrophobicContact CE2-CD1 4.46Å; F185-F256 AromaticContact CE2-CE1 3.52Å; F185-F256 HydrophobicContact CE2-CE1 3.52Å; F185-F256 AromaticContact CE2-CZ 3.79Å; F185-F256 HydrophobicContact CE2-CZ 3.79Å; F185-F256 HydrophobicContact CZ-CE1 4.13Å; F256-V263 HydrophobicContact CD1-CB 4.15Å; F256-V263 HydrophobicContact CD1-CG1 4.28Å; F256-V263 HydrophobicContact CD2-CB 4.23Å; F256-V263 HydrophobicContact CD2-CG2 4.42Å; F256-V263 HydrophobicContact CE1-CB 3.84Å; F256-V263 HydrophobicContact CE1-CG1 3.55Å; F256-V263 HydrophobicContact CE2-CB 3.91Å; F256-V263 HydrophobicContact CE2-CG1 4.19Å; F256-V263 HydrophobicContact CE2-CG2 3.92Å; F256-V263 HydrophobicContact CG-CB 4.34Å; F256-V263 HydrophobicContact CZ-CB 3.71Å; F256-V263 HydrophobicContact CZ-CG1 3.49Å; F256-V263 VanDerWaalsContact CZ-CG1 3.49Å; F256-V263 HydrophobicContact CZ-CG2 4.07Å; F256-V263 PolarHBondContact N-O 3.49Å; F256-V263 WeakPolarHBondContact O-CA 3.31Å; F256-V263 WeakPolarHBondContact O-CB 3.39Å; F256-V263 PolarHBondContact O-N 2.64Å; F256-V263 VanDerWaalsContact O-O 3.14Å; F256-I265 HydrophobicContact CD1-CG1 4.48Å; F256-I265 HydrophobicContact CE1-CD1 4.03Å; F256-I265 HydrophobicContact CE1-CG1 3.94Å; F256-F504 VanDerWaalsContact O-CE1 3.3Å; F256-F504 WeakPolarHBondContact O-CE1 3.47Å; F256-N505 WeakPolarHBondContact CA-OD1 3.32Å
257Q96.7Very high97Very high46 Ų4617.9 Ų17.922%0.21510%0.099CC..EExtended strand (participates in β ladder)trans-127.1151.7179.271.9-173.6-61.900112.2K261 L262 Y501 F504 N505Q257-K261 WeakPolarHBondContact CA-O 3.5Å; Q257-K261 WeakPolarHBondContact CB-O 3.35Å; Q257-L262 HydrophobicContact CB-CD2 3.91Å; Q257-Y501 PolarHBondContact NE2-O 3.01Å; Q257-F504 HydrophobicContact CB-CD1 4.28Å; Q257-N505 PolarHBondContact N-OD1 3.43Å; Q257-N505 VanDerWaalsContact N-OD1 3.11Å
258T95.5Very high96.9Very high24 Ų2418.5 Ų18.515%0.14710%0.102CC..  trans-105176.7163.267.90000108.6M182 K218 D260 K261M182-T258 HydrophobicContact CG-CG2 3.78Å; M182-T258 HydrophobicContact SD-CG2 4.47Å; K218-T258 PolarHBondContact NZ-O 3.05Å; T258-D260 PolarHBondContact O-N 3.39Å; T258-D260 VanDerWaalsContact O-N 3.11Å; T258-D260 PolarHBondContact OG1-OD1 2.99Å; T258-K261 PolarHBondContact N-O 2.9Å; T258-K261 WeakPolarHBondContact OG1-CB 3.41Å; T258-K261 PolarHBondContact OG1-N 3.35Å
259P94.3Very high96.6Very high111 Ų11119.3 Ų19.372%0.72111%0.106SC*.SBendtrans-53.7-29.9174.7-29.738.2000114L493P259-L493 WeakPolarHBondContact O-CD1 3.15Å
260D94.4Very high96Very high72 Ų7220.6 Ų20.639%0.38511%0.112SC..SBendtrans-120.4-12.9-171.262.8-29.7000114.9K218 T258K218-D260 WeakPolarHBondContact CB-O 3.35Å; K218-D260 WeakPolarHBondContact CG-O 3.33Å; K218-D260 PolarHBondContact N-O 2.9Å; T258-D260 PolarHBondContact O-N 3.39Å; T258-D260 VanDerWaalsContact O-N 3.11Å; T258-D260 PolarHBondContact OG1-OD1 2.99Å
261K96.7Very high95.5Very high65 Ų6520.3 Ų20.328%0.28311%0.111SC..EExtended strand (participates in β ladder)trans-129.5150.4-176-56.9179-177.7-177.30113C215 L216 Q257 T258 V263C215-K261 HydrophobicContact CB-CD 4.45Å; L216-K261 CarbonylContact O-C 3.57Å; L216-K261 WeakPolarHBondContact O-CA 3.49Å; Q257-K261 WeakPolarHBondContact CA-O 3.5Å; Q257-K261 WeakPolarHBondContact CB-O 3.35Å; T258-K261 PolarHBondContact N-O 2.9Å; T258-K261 WeakPolarHBondContact OG1-CB 3.41Å; T258-K261 PolarHBondContact OG1-N 3.35Å; K261-V263 HydrophobicContact CB-CG2 4.26Å
262L98Very high95.1Very high0 Ų021 Ų210%012%0.117CC..EExtended strand (participates in β ladder)trans-103.2131.6160.8-57.4-180000108C215 L216 K218 I221 A230 Q257 Y501 F504C215-L262 CarbonylContact C-O 3.59Å; C215-L262 WeakPolarHBondContact CA-O 3.28Å; L216-L262 HydrophobicContact CB-CB 4.31Å; L216-L262 PolarHBondContact N-O 2.83Å; L216-L262 PolarHBondContact O-N 3.37Å; K218-L262 HydrophobicContact CG-CD2 4.39Å; K218-L262 HydrophobicContact CG-CG 4.18Å; I221-L262 HydrophobicContact CD1-CD1 3.66Å; I221-L262 HydrophobicContact CD1-CG 4.29Å; A230-L262 HydrophobicContact CB-CD1 3.91Å; Q257-L262 HydrophobicContact CB-CD2 3.91Å; L262-Y501 HydrophobicContact CD1-CD1 3.77Å; L262-Y501 HydrophobicContact CD1-CE1 3.52Å; L262-Y501 HydrophobicContact CD1-CG 4.48Å; L262-Y501 HydrophobicContact CD2-CD1 3.82Å; L262-Y501 HydrophobicContact CD2-CD2 4.23Å; L262-Y501 HydrophobicContact CD2-CE1 4.32Å; L262-Y501 HydrophobicContact CD2-CG 3.78Å; L262-Y501 HydrophobicContact CG-CD1 4.4Å; L262-Y501 HydrophobicContact CG-CE1 4.44Å; L262-F504 HydrophobicContact CB-CE1 3.97Å; L262-F504 HydrophobicContact CB-CE2 4.1Å; L262-F504 HydrophobicContact CB-CZ 3.67Å; L262-F504 HydrophobicContact CD1-CD2 4.26Å; L262-F504 HydrophobicContact CD1-CE2 3.92Å; L262-F504 HydrophobicContact CD1-CZ 4.35Å; L262-F504 HydrophobicContact CD2-CD1 4.07Å; L262-F504 HydrophobicContact CD2-CD2 4.08Å; L262-F504 HydrophobicContact CD2-CE1 4.21Å; L262-F504 HydrophobicContact CD2-CE2 4.23Å; L262-F504 HydrophobicContact CD2-CG 4.02Å; L262-F504 HydrophobicContact CD2-CZ 4.3Å; L262-F504 HydrophobicContact CG-CE2 4.31Å; L262-F504 HydrophobicContact CG-CZ 4.33Å
263V98.4Very high94.8Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-125.1124.7-172.1-172.50000109.8M182 M213 K214 A255 F256 K261 I265M182-V263 HydrophobicContact SD-CG2 3.99Å; M213-V263 HydrophobicContact CE-CG1 4.39Å; M213-V263 HydrophobicContact CG-CG1 3.5Å; M213-V263 VanDerWaalsContact CG-CG1 3.5Å; M213-V263 HydrophobicContact SD-CG1 4.1Å; K214-V263 WeakPolarHBondContact O-CA 3.24Å; A255-V263 CarbonylContact C-O 3.48Å; A255-V263 VanDerWaalsContact CA-O 3.25Å; A255-V263 WeakPolarHBondContact CA-O 3.06Å; F256-V263 HydrophobicContact CD1-CB 4.15Å; F256-V263 HydrophobicContact CD1-CG1 4.28Å; F256-V263 HydrophobicContact CD2-CB 4.23Å; F256-V263 HydrophobicContact CD2-CG2 4.42Å; F256-V263 HydrophobicContact CE1-CB 3.84Å; F256-V263 HydrophobicContact CE1-CG1 3.55Å; F256-V263 HydrophobicContact CE2-CB 3.91Å; F256-V263 HydrophobicContact CE2-CG1 4.19Å; F256-V263 HydrophobicContact CE2-CG2 3.92Å; F256-V263 HydrophobicContact CG-CB 4.34Å; F256-V263 HydrophobicContact CZ-CB 3.71Å; F256-V263 HydrophobicContact CZ-CG1 3.49Å; F256-V263 VanDerWaalsContact CZ-CG1 3.49Å; F256-V263 HydrophobicContact CZ-CG2 4.07Å; F256-V263 PolarHBondContact N-O 3.49Å; F256-V263 WeakPolarHBondContact O-CA 3.31Å; F256-V263 WeakPolarHBondContact O-CB 3.39Å; F256-V263 PolarHBondContact O-N 2.64Å; F256-V263 VanDerWaalsContact O-O 3.14Å; K261-V263 HydrophobicContact CB-CG2 4.26Å; V263-I265 HydrophobicContact CG1-CD1 4.13Å
264F98.4Very high94.5Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-108.8134.7170.6-55.9-94.8000109.6M213 K214 L216 E233 R234 L237 M252 A255 L266 F504M213-F264 CarbonylContact C-O 3.53Å; M213-F264 WeakPolarHBondContact CA-O 3.3Å; K214-F264 HydrophobicContact CB-CB 4.25Å; K214-F264 HydrophobicContact CB-CD2 4.48Å; K214-F264 HydrophobicContact CG-CD2 4.46Å; K214-F264 PolarHBondContact N-O 2.97Å; K214-F264 PolarHBondContact O-N 3.39Å; L216-F264 HydrophobicContact CD1-CE2 3.75Å; L216-F264 HydrophobicContact CG-CE2 4.12Å; E233-F264 HydrophobicContact CB-CZ 4.38Å; R234-F264 HydrophobicContact CB-CE1 3.72Å; R234-F264 HydrophobicContact CB-CZ 4.23Å; R234-F264 HydrophobicContact CG-CE1 4.12Å; L237-F264 HydrophobicContact CD1-CD1 3.7Å; L237-F264 HydrophobicContact CD1-CE1 4.02Å; L237-F264 HydrophobicContact CD1-CG 4.43Å; M252-F264 HydrophobicContact SD-CD1 3.84Å; M252-F264 HydrophobicContact SD-CE1 4.47Å; A255-F264 HydrophobicContact CB-CD1 4.14Å; A255-F264 HydrophobicContact CB-CE1 4.49Å; F264-L266 HydrophobicContact CB-CD1 4.4Å; F264-L266 HydrophobicContact CB-CD2 4Å; F264-L266 HydrophobicContact CB-CG 4.03Å; F264-F504 HydrophobicContact CD1-CZ 4.25Å; F264-F504 HydrophobicContact CD2-CZ 4.35Å; F264-F504 HydrophobicContact CE1-CE2 4.01Å; F264-F504 AromaticContact CE1-CZ 3.67Å; F264-F504 HydrophobicContact CE1-CZ 3.67Å; F264-F504 HydrophobicContact CE2-CE2 4.3Å; F264-F504 AromaticContact CE2-CZ 3.78Å; F264-F504 HydrophobicContact CE2-CZ 3.78Å; F264-F504 AromaticContact CZ-CE2 3.64Å; F264-F504 HydrophobicContact CZ-CE2 3.64Å; F264-F504 AromaticContact CZ-CZ 3.42Å; F264-F504 HydrophobicContact CZ-CZ 3.42Å; F264-F504 VanDerWaalsContact CZ-CZ 3.42Å
265I98.4Very high94.2Very high0 Ų026.8 Ų26.80%015%0.146CC..EExtended strand (participates in β ladder)trans-107.1111.4172.7-54.5-61.1000108.2F185 Y211 A212 M213 M252 T253 Y254 F256 V263F185-I265 HydrophobicContact CD1-CD1 4.11Å; F185-I265 HydrophobicContact CE1-CD1 3.72Å; F185-I265 HydrophobicContact CE1-CG1 3.9Å; F185-I265 HydrophobicContact CE1-CG2 4.19Å; F185-I265 HydrophobicContact CE2-CD1 4.22Å; F185-I265 HydrophobicContact CE2-CG1 4.38Å; F185-I265 HydrophobicContact CZ-CD1 3.79Å; F185-I265 HydrophobicContact CZ-CG1 3.69Å; Y211-I265 HydrophobicContact CD1-CG2 3.6Å; Y211-I265 HydrophobicContact CD2-CG2 3.79Å; Y211-I265 HydrophobicContact CE1-CG2 4.19Å; Y211-I265 HydrophobicContact CE2-CG2 4.37Å; Y211-I265 HydrophobicContact CG-CG2 3.35Å; A212-I265 WeakPolarHBondContact O-CA 3.34Å; M213-I265 HydrophobicContact CB-CD1 3.99Å; M213-I265 HydrophobicContact CE-CD1 3.79Å; M213-I265 HydrophobicContact CG-CD1 3.86Å; M252-I265 WeakPolarHBondContact CA-O 3.47Å; T253-I265 PolarHBondContact N-O 3.36Å; Y254-I265 HydrophobicContact CD2-CB 3.68Å; Y254-I265 HydrophobicContact CD2-CG1 3.98Å; Y254-I265 HydrophobicContact CD2-CG2 3.67Å; Y254-I265 HydrophobicContact CE2-CG2 4.3Å; Y254-I265 HydrophobicContact CG-CB 4.31Å; Y254-I265 HydrophobicContact CG-CG1 4.45Å; Y254-I265 PolarHBondContact N-O 3.28Å; Y254-I265 PolarHBondContact O-N 3.44Å; F256-I265 HydrophobicContact CD1-CG1 4.48Å; F256-I265 HydrophobicContact CE1-CD1 4.03Å; F256-I265 HydrophobicContact CE1-CG1 3.94Å; V263-I265 HydrophobicContact CG1-CD1 4.13Å
266L97.5Very high93.7Very high11 Ų1130.7 Ų30.76%0.05816%0.161CC..EExtended strand (participates in β ladder)trans-120.7160.5-167-56.3179.4000111Y211 A212 K214 L237 V250 C251 M252 F264 L268Y211-L266 WeakPolarHBondContact CD1-O 3.25Å; A212-L266 HydrophobicContact CB-CB 4.36Å; A212-L266 PolarHBondContact N-O 2.84Å; A212-L266 PolarHBondContact O-N 2.87Å; K214-L266 HydrophobicContact CB-CD1 4.15Å; K214-L266 HydrophobicContact CD-CD1 4.33Å; L237-L266 HydrophobicContact CD1-CD2 3.88Å; L237-L266 HydrophobicContact CD2-CD2 4.01Å; V250-L266 HydrophobicContact CG1-CB 3.83Å; V250-L266 HydrophobicContact CG1-CD1 4.32Å; C251-L266 CarbonylContact O-C 3.56Å; C251-L266 VanDerWaalsContact O-CA 3.3Å; C251-L266 WeakPolarHBondContact O-CA 3.32Å; M252-L266 HydrophobicContact CB-CD2 3.79Å; M252-L266 HydrophobicContact CG-CD2 4.18Å; F264-L266 HydrophobicContact CB-CD1 4.4Å; F264-L266 HydrophobicContact CB-CD2 4Å; F264-L266 HydrophobicContact CB-CG 4.03Å; L266-L268 PolarHBondContact O-N 3.44Å
267D95.2Very high93.3Very high19 Ų1931 Ų3110%0.10216%0.162CC..  trans-52.1134.4170-63.1-36.9000111.1V250 C251 M269 R327 R511V250-D267 HydrophobicContact CG1-CB 4.32Å; C251-D267 WeakPolarHBondContact CB-OD2 3.35Å; C251-D267 PolarHBondContact N-OD2 2.92Å; C251-D267 PolarHBondContact O-N 3.21Å; D267-M269 PolarHBondContact O-N 2.68Å; D267-R327 IonicContact OD2-NH1 2.82Å; D267-R327 PolarHBondContact OD2-NH1 3.45Å; D267-R511 IonicContact OD1-CZ 3.58Å; D267-R511 IonicContact OD1-NE 3.86Å; D267-R511 IonicContact OD1-NH2 3.43Å; D267-R511 PolarHBondContact OD1-NH2 3.31Å; D267-R511 IonicContact OD2-CZ 3.67Å; D267-R511 IonicContact OD2-NH2 2.68Å; D267-R511 PolarHBondContact OD2-NH2 2.98Å
268L92.5Very high93.1Very high30 Ų3029.5 Ų29.516%0.15716%0.155CC..  trans-79.9118.6-179.4-178.161.3000110.6M17 I191 M210 A212 L266M17-L268 HydrophobicContact CE-CD2 3.96Å; I191-L268 HydrophobicContact CD1-CD1 3.75Å; M210-L268 HydrophobicContact CB-CD2 4.01Å; M210-L268 HydrophobicContact CE-CD2 4.28Å; A212-L268 HydrophobicContact CB-CD1 4.07Å; L266-L268 PolarHBondContact O-N 3.44Å
269M90.8Very high92.7Very high18 Ų1832.6 Ų32.69%0.08917%0.174CC..  trans-114.7105.4174.5-57.3-58.7-70.200109.1V250 D267 L319 L320 D321 R327V250-M269 HydrophobicContact CG2-CG 3.71Å; V250-M269 HydrophobicContact CG2-SD 4.46Å; D267-M269 PolarHBondContact O-N 2.68Å; M269-L319 HydrophobicContact CB-CB 3.66Å; M269-L319 HydrophobicContact CB-CD1 3.8Å; M269-L319 HydrophobicContact CB-CG 4.38Å; M269-L319 HydrophobicContact CE-CB 4.08Å; M269-L319 WeakPolarHBondContact CE-O 3.42Å; M269-L319 HydrophobicContact CG-CB 3.87Å; M269-L319 HydrophobicContact CG-CD1 4.01Å; M269-L320 VanDerWaalsContact CE-C 3.43Å; M269-D321 HydrophobicContact CE-CB 3.96Å; M269-D321 HydrophobicContact SD-CB 4.29Å; M269-R327 HydrophobicContact CE-CB 3.76Å; M269-R327 HydrophobicContact CE-CG 3.57Å; M269-R327 HydrophobicContact SD-CB 4.23Å; M269-R327 VanDerWaalsContact SD-CD 3.57Å; M269-R327 HydrophobicContact SD-CG 3.92Å
270N84.2Confident92.3Very high26 Ų2633.4 Ų33.414%0.13917%0.168CC..  trans-109.46.4-172.471-45000114M17 E322 N473M17-N270 HydrophobicContact CE-CB 3.7Å; M17-N270 WeakPolarHBondContact CE-ND2 3.38Å; M17-N270 HydrophobicContact SD-CB 3.87Å; M17-N270 PolarHBondContact SD-ND2 3.37Å; M17-N270 VanDerWaalsContact SD-ND2 3.43Å; N270-E322 PolarHBondContact OD1-N 3.15Å; N270-N473 WeakPolarHBondContact O-CB 3.32Å; N270-N473 PolarHBondContact O-ND2 3.09Å
271G87.2Confident91.9Very high0 Ų034.5 Ų34.50%017%0.171CC..SBendtrans-90.61.7-179.900000113.9H277 L320G271-H277 PolarHBondContact O-NE2 2.9Å; G271-L320 WeakPolarHBondContact CA-O 3.29Å; G271-L320 PolarHBondContact N-O 3.38Å
272G88Confident91.7Very high13 Ų1332.9 Ų32.913%0.13417%0.173CC..  trans81.4-167.9-174.300000112.9L319 L320 N473G272-L319 CarbonylContact O-C 3.48Å; G272-L319 WeakPolarHBondContact O-CA 3.19Å; G272-L320 PolarHBondContact O-N 2.87Å; G272-N473 WeakPolarHBondContact CA-O 3.46Å; G272-N473 PolarHBondContact N-O 3.43Å; G272-N473 VanDerWaalsContact N-O 3.17Å
273D91.2Very high91.5Very high44 Ų4436.5 Ų36.524%0.23520%0.195CC..BIsolated β-bridgetrans-114159178.567.662.4000112.4H275 Y276 H277 I318 L319D273-H275 PolarHBondContact O-N 2.92Å; D273-H275 VanDerWaalsContact OD1-CA 3.28Å; D273-H275 WeakPolarHBondContact OD1-CA 3.41Å; D273-H275 WeakPolarHBondContact OD1-CB 3.47Å; D273-H275 PolarHBondContact OD1-N 3.18Å; D273-Y276 WeakPolarHBondContact O-CB 3.47Å; D273-Y276 PolarHBondContact O-N 2.95Å; D273-Y276 PolarHBondContact OD1-N 2.91Å; D273-H277 PolarHBondContact O-CD2 3.08Å; D273-H277 PolarHBondContact O-N 2.95Å; D273-H277 VanDerWaalsContact O-N 3.12Å; D273-I318 CarbonylContact C-O 3.52Å; D273-I318 VanDerWaalsContact CA-O 3.3Å; D273-I318 WeakPolarHBondContact CA-O 3.31Å; D273-L319 HydrophobicContact CB-CD2 3.63Å
274L93.4Very high91.4Very high0 Ų036.7 Ų36.70%020%0.195CC..Hα-helixtrans-64.3-20.7179.8-80.1-177.8000113L278 F284 Y292 P315 I318 L320 V326 L379L274-L278 WeakPolarHBondContact O-CB 3.23Å; L274-L278 PolarHBondContact O-N 3.33Å; L274-F284 HydrophobicContact CD2-CZ 4.3Å; L274-Y292 HydrophobicContact CD1-CD1 4.49Å; L274-Y292 HydrophobicContact CD1-CG 4.25Å; L274-Y292 HydrophobicContact CD2-CD1 4.21Å; L274-Y292 HydrophobicContact CD2-CD2 4.11Å; L274-Y292 HydrophobicContact CD2-CE1 4.04Å; L274-Y292 HydrophobicContact CD2-CE2 3.93Å; L274-Y292 HydrophobicContact CD2-CG 4.24Å; L274-P315 HydrophobicContact CB-CB 3.95Å; L274-P315 WeakPolarHBondContact CB-O 3.39Å; L274-P315 PolarHBondContact N-O 3.02Å; L274-I318 HydrophobicContact CB-CB 4.27Å; L274-I318 HydrophobicContact CD1-CB 3.75Å; L274-I318 HydrophobicContact CD1-CG1 4.32Å; L274-I318 HydrophobicContact CD1-CG2 3.43Å; L274-I318 VanDerWaalsContact CD1-CG2 3.43Å; L274-I318 HydrophobicContact CG-CB 4.04Å; L274-I318 HydrophobicContact CG-CG2 3.85Å; L274-I318 PolarHBondContact N-O 2.73Å; L274-L320 HydrophobicContact CD2-CD1 3.88Å; L274-L320 HydrophobicContact CG-CD1 3.94Å; L274-V326 HydrophobicContact CD1-CG1 4.41Å; L274-V326 HydrophobicContact CD2-CG1 4.49Å; L274-V326 HydrophobicContact CG-CG1 4.34Å; L274-L379 HydrophobicContact CB-CD2 4.48Å; L274-L379 HydrophobicContact CD1-CD1 4.32Å; L274-L379 HydrophobicContact CD1-CD2 4.41Å
275H91.5Very high91.2Very high79 Ų7940.8 Ų40.837%0.36622%0.22SC..Hα-helixtrans-71.8-42.4175.217938.2000111.7D273 T279 P315 A316D273-H275 PolarHBondContact O-N 2.92Å; D273-H275 VanDerWaalsContact OD1-CA 3.28Å; D273-H275 WeakPolarHBondContact OD1-CA 3.41Å; D273-H275 WeakPolarHBondContact OD1-CB 3.47Å; D273-H275 PolarHBondContact OD1-N 3.18Å; H275-T279 PolarHBondContact O-N 3.13Å; H275-T279 VanDerWaalsContact O-N 3.11Å; H275-T279 PolarHBondContact O-OG1 3.34Å; H275-P315 HydrophobicContact CB-CB 4.08Å; H275-P315 PolarHBondContact N-O 3.27Å; H275-A316 HydrophobicContact CB-CB 3.95Å
276Y87.8Confident91.2Very high85 Ų8542.4 Ų42.433%0.33323%0.228SC..Hα-helixtrans-58.5-51.5171.6173.1-99.2000110.5D273 L278 T279 Q280D273-Y276 WeakPolarHBondContact O-CB 3.47Å; D273-Y276 PolarHBondContact O-N 2.95Å; D273-Y276 PolarHBondContact OD1-N 2.91Å; Y276-L278 PolarHBondContact O-N 2.86Å; Y276-T279 WeakPolarHBondContact O-CA 3.33Å; Y276-T279 WeakPolarHBondContact O-CB 3.39Å; Y276-T279 PolarHBondContact O-N 2.86Å; Y276-Q280 HydrophobicContact CD1-CG 4.37Å; Y276-Q280 HydrophobicContact CD2-CG 4.24Å; Y276-Q280 HydrophobicContact CE1-CG 3.94Å; Y276-Q280 HydrophobicContact CE2-CG 3.79Å; Y276-Q280 PolarHBondContact O-N 3.11Å
277H89.7Confident91.1Very high9 Ų948.8 Ų48.84%0.04226%0.258CS..Hα-helixtrans-63.6-40.1179.6-72.6-63.4000113G271 D273 T279 Q280 H281 F284 L465G271-H277 PolarHBondContact O-NE2 2.9Å; D273-H277 PolarHBondContact O-CD2 3.08Å; D273-H277 PolarHBondContact O-N 2.95Å; D273-H277 VanDerWaalsContact O-N 3.12Å; H277-T279 PolarHBondContact O-N 3.08Å; H277-Q280 PolarHBondContact O-N 3.44Å; H277-H281 WeakPolarHBondContact O-CA 3.1Å; H277-H281 WeakPolarHBondContact O-CB 3.12Å; H277-H281 PolarHBondContact O-N 2.8Å; H277-F284 HydrophobicContact CB-CZ 4.33Å; H277-L465 HydrophobicContact CB-CD1 4.22Å
278L91.6Very high91.2Very high13 Ų1349.8 Ų49.87%0.06826%0.261CS..Hα-helixtrans-59-32.2172.2179.162.5000112.4L274 Y276 G282 V283 F284 K378 L379L274-L278 WeakPolarHBondContact O-CB 3.23Å; L274-L278 PolarHBondContact O-N 3.33Å; Y276-L278 PolarHBondContact O-N 2.86Å; L278-G282 WeakPolarHBondContact CD1-O 3.17Å; L278-G282 CarbonylContact O-C 3.56Å; L278-G282 VanDerWaalsContact O-CA 3.29Å; L278-G282 WeakPolarHBondContact O-CA 3.46Å; L278-G282 PolarHBondContact O-N 3.3Å; L278-V283 HydrophobicContact CD1-CG1 4.49Å; L278-F284 HydrophobicContact CB-CE2 4.23Å; L278-F284 HydrophobicContact CD1-CD2 4.18Å; L278-F284 HydrophobicContact CD1-CE2 4.24Å; L278-K378 HydrophobicContact CD2-CD 4.41Å; L278-K378 HydrophobicContact CD2-CG 3.89Å; L278-L379 HydrophobicContact CD2-CD2 4.47Å
279T88.3Confident91.4Very high90 Ų9048.3 Ų48.355%0.55225%0.254SS*.Hα-helixtrans-77.7-37.6179.5-54.20000111.9H275 Y276 H277H275-T279 PolarHBondContact O-N 3.13Å; H275-T279 VanDerWaalsContact O-N 3.11Å; H275-T279 PolarHBondContact O-OG1 3.34Å; Y276-T279 WeakPolarHBondContact O-CA 3.33Å; Y276-T279 WeakPolarHBondContact O-CB 3.39Å; Y276-T279 PolarHBondContact O-N 2.86Å; H277-T279 PolarHBondContact O-N 3.08Å
280Q85.8Confident91.7Very high127 Ų12749.7 Ų49.759%0.59326%0.258SS*.Hα-helixtrans-83.7-45.8-179.3-63.1-58.6-3400113.1Y276 H277Y276-Q280 HydrophobicContact CD1-CG 4.37Å; Y276-Q280 HydrophobicContact CD2-CG 4.24Å; Y276-Q280 HydrophobicContact CE1-CG 3.94Å; Y276-Q280 HydrophobicContact CE2-CG 3.79Å; Y276-Q280 PolarHBondContact O-N 3.11Å; H277-Q280 PolarHBondContact O-N 3.44Å
281H85.8Confident92.3Very high95 Ų9549.1 Ų49.144%0.4426%0.255SS..Hα-helixtrans-79.4-27.1-178.3-171.9-99.7000112.6H277 E288 L465H277-H281 WeakPolarHBondContact O-CA 3.1Å; H277-H281 WeakPolarHBondContact O-CB 3.12Å; H277-H281 PolarHBondContact O-N 2.8Å; H281-E288 IonicContact CE1-OE1 3.2Å; H281-E288 IonicContact CE1-OE2 2.88Å; H281-L465 HydrophobicContact CB-CD1 4.28Å
282G91.8Very high92.9Very high31 Ų3149.1 Ų49.132%0.3226%0.255SS..  trans85-167.3-165.300000111.8L278L278-G282 WeakPolarHBondContact CD1-O 3.17Å; L278-G282 CarbonylContact O-C 3.56Å; L278-G282 VanDerWaalsContact O-CA 3.29Å; L278-G282 WeakPolarHBondContact O-CA 3.46Å; L278-G282 PolarHBondContact O-N 3.3Å
283V94.4Very high93.3Very high76 Ų7648.5 Ų48.546%0.46125%0.248SC..SBendtrans-65.1146-179.5-62.20000111.3L278 L379L278-V283 HydrophobicContact CD1-CG1 4.49Å; V283-L379 WeakPolarHBondContact CA-O 3.48Å
284F95.2Very high93.7Very high4 Ų446.4 Ų46.42%0.01824%0.237CC..PPolyproline II helixtrans-84.5146.4176.8-67.4-82.8000110.6L274 H277 L278 E288 M289 Y292 L379 L380L274-F284 HydrophobicContact CD2-CZ 4.3Å; H277-F284 HydrophobicContact CB-CZ 4.33Å; L278-F284 HydrophobicContact CB-CE2 4.23Å; L278-F284 HydrophobicContact CD1-CD2 4.18Å; L278-F284 HydrophobicContact CD1-CE2 4.24Å; F284-E288 WeakPolarHBondContact CA-OE2 3.31Å; F284-E288 HydrophobicContact CB-CB 4.17Å; F284-E288 HydrophobicContact CD1-CB 3.91Å; F284-M289 HydrophobicContact CB-CB 4.45Å; F284-Y292 HydrophobicContact CD1-CE2 4.04Å; F284-Y292 AromaticContact CE1-CE2 3.7Å; F284-Y292 HydrophobicContact CE1-CE2 3.7Å; F284-Y292 HydrophobicContact CZ-CE2 4.11Å; F284-L379 HydrophobicContact CD2-CB 4.04Å; F284-L379 HydrophobicContact CD2-CD2 3.81Å; F284-L379 HydrophobicContact CD2-CG 4.44Å; F284-L379 HydrophobicContact CE2-CD2 3.8Å; F284-L379 PolarHBondContact N-O 3.22Å; F284-L380 WeakPolarHBondContact O-CD2 3.47Å
285V95.8Very high93.9Very high86 Ų8646.5 Ų46.552%0.52124%0.237SC..PPolyproline II helixtrans-77.3163.6167.8-59.50000110.7E287 E288 M289V285-E287 HydrophobicContact CG2-CB 4.42Å; V285-E287 PolarHBondContact O-N 2.89Å; V285-E287 VanDerWaalsContact O-N 3.16Å; V285-E288 HydrophobicContact CG2-CB 4.32Å; V285-E288 HydrophobicContact CG2-CG 3.61Å; V285-E288 PolarHBondContact N-OE2 3.33Å; V285-E288 PolarHBondContact O-N 3.11Å; V285-E288 VanDerWaalsContact O-N 3.13Å; V285-M289 PolarHBondContact O-N 2.86Å
286E97Very high94.3Very high35 Ų3542.8 Ų42.816%0.16422%0.22CC..Hα-helixtrans-56.8-34.6-175.9-70-171.2-168.100113.7R290 L380 F412 S413 C416 F447E286-R290 VanDerWaalsContact O-CB 3.24Å; E286-R290 WeakPolarHBondContact O-CB 3.35Å; E286-R290 PolarHBondContact O-N 3.02Å; E286-L380 HydrophobicContact CG-CD2 4.17Å; E286-F412 VanDerWaalsContact OE1-CA 3.29Å; E286-F412 WeakPolarHBondContact OE1-CA 3.45Å; E286-S413 PolarHBondContact OE1-N 2.85Å; E286-S413 PolarHBondContact OE1-OG 3.04Å; E286-S413 VanDerWaalsContact OE2-CB 3.27Å; E286-S413 WeakPolarHBondContact OE2-CB 3.25Å; E286-S413 PolarHBondContact OE2-OG 3.39Å; E286-C416 HydrophobicContact CG-CB 4.28Å; E286-C416 VanDerWaalsContact OE1-CB 3.26Å; E286-C416 WeakPolarHBondContact OE1-CB 3.3Å; E286-C416 WeakPolarHBondContact OE2-CB 3.41Å; E286-F447 HydrophobicContact CB-CE2 4.31Å; E286-F447 HydrophobicContact CB-CZ 4.45Å
287E95.8Very high94.8Very high145 Ų14538.8 Ų38.868%0.67820%0.204SC*.Hα-helixtrans-66.1-44.5178-174176.6176.400112.4V285 R290 F291V285-E287 HydrophobicContact CG2-CB 4.42Å; V285-E287 PolarHBondContact O-N 2.89Å; V285-E287 VanDerWaalsContact O-N 3.16Å; E287-R290 WeakPolarHBondContact O-CB 3.44Å; E287-R290 PolarHBondContact O-N 3.3Å; E287-F291 PolarHBondContact O-N 3.23Å
288E96.5Very high95.2Very high39 Ų3938.9 Ų38.918%0.18221%0.205CC..Hα-helixtrans-68.6-43.4177.7-57.1171.4146.300110.8H281 F284 V285 R290 F291 Y292 P464H281-E288 IonicContact CE1-OE1 3.2Å; H281-E288 IonicContact CE1-OE2 2.88Å; F284-E288 WeakPolarHBondContact CA-OE2 3.31Å; F284-E288 HydrophobicContact CB-CB 4.17Å; F284-E288 HydrophobicContact CD1-CB 3.91Å; V285-E288 HydrophobicContact CG2-CB 4.32Å; V285-E288 HydrophobicContact CG2-CG 3.61Å; V285-E288 PolarHBondContact N-OE2 3.33Å; V285-E288 PolarHBondContact O-N 3.11Å; V285-E288 VanDerWaalsContact O-N 3.13Å; E288-R290 VanDerWaalsContact C-N 3.3Å; E288-R290 PolarHBondContact O-N 2.65Å; E288-F291 WeakPolarHBondContact O-CB 3.35Å; E288-F291 PolarHBondContact O-N 2.91Å; E288-Y292 WeakPolarHBondContact O-CD2 3.29Å; E288-Y292 PolarHBondContact O-N 3.1Å; E288-P464 HydrophobicContact CB-CB 3.73Å; E288-P464 HydrophobicContact CB-CG 3.98Å; E288-P464 HydrophobicContact CG-CB 3.61Å; E288-P464 HydrophobicContact CG-CG 4.42Å
289M96.9Very high95.5Very high0 Ų038.3 Ų38.30%020%0.202CC..Hα-helixtrans-60.8-40.2175.3-179.7-79.2-78.300111.1F284 V285 F291 Y292 A293 L376 L379 L380 F447F284-M289 HydrophobicContact CB-CB 4.45Å; V285-M289 PolarHBondContact O-N 2.86Å; M289-F291 VanDerWaalsContact C-N 3.27Å; M289-F291 PolarHBondContact O-N 3.36Å; M289-Y292 PolarHBondContact O-N 2.85Å; M289-A293 VanDerWaalsContact O-CB 3.23Å; M289-A293 WeakPolarHBondContact O-CB 3.5Å; M289-A293 PolarHBondContact O-N 2.85Å; M289-A293 HydrophobicContact SD-CB 3.83Å; M289-L376 HydrophobicContact CE-CD1 4.36Å; M289-L376 HydrophobicContact CG-CD2 4.18Å; M289-L376 HydrophobicContact SD-CB 4.22Å; M289-L376 HydrophobicContact SD-CD1 3.82Å; M289-L376 HydrophobicContact SD-CD2 3.71Å; M289-L376 HydrophobicContact SD-CG 4.11Å; M289-L379 HydrophobicContact CG-CB 4.37Å; M289-L379 HydrophobicContact CG-CD1 4.43Å; M289-L380 HydrophobicContact CB-CD2 3.98Å; M289-L380 HydrophobicContact CE-CD1 3.82Å; M289-L380 HydrophobicContact CE-CD2 4.23Å; M289-L380 HydrophobicContact CE-CG 4.23Å; M289-L380 HydrophobicContact CG-CD2 4.22Å; M289-L380 HydrophobicContact CG-CG 4.26Å; M289-F447 HydrophobicContact CE-CE1 3.88Å; M289-F447 HydrophobicContact CE-CE2 4.33Å; M289-F447 HydrophobicContact CE-CZ 3.44Å; M289-F447 VanDerWaalsContact CE-CZ 3.44Å; M289-F447 HydrophobicContact SD-CE1 4.35Å; M289-F447 HydrophobicContact SD-CZ 4.36Å
290R97.8Very high96Very high47 Ų4734 Ų3418%0.17718%0.176CC..Hα-helixtrans-57.4-39.9178.5-174.1-172-60114.27.6111.9E286 E287 E288 A294 F447 F448 I451E286-R290 VanDerWaalsContact O-CB 3.24Å; E286-R290 WeakPolarHBondContact O-CB 3.35Å; E286-R290 PolarHBondContact O-N 3.02Å; E287-R290 WeakPolarHBondContact O-CB 3.44Å; E287-R290 PolarHBondContact O-N 3.3Å; E288-R290 VanDerWaalsContact C-N 3.3Å; E288-R290 PolarHBondContact O-N 2.65Å; R290-A294 WeakPolarHBondContact O-CB 3.37Å; R290-A294 PolarHBondContact O-N 2.84Å; R290-F447 HydrophobicContact CB-CE1 3.76Å; R290-F447 HydrophobicContact CB-CZ 3.97Å; R290-F447 WeakPolarHBondContact CD-O 3.39Å; R290-F447 HydrophobicContact CG-CD1 4.29Å; R290-F447 HydrophobicContact CG-CE1 3.76Å; R290-F447 HydrophobicContact CG-CZ 4.34Å; R290-F447 PolarHBondContact NE-O 3.04Å; R290-F448 HydrophobicContact CG-CD1 3.83Å; R290-F448 HydrophobicContact CG-CE1 4.02Å; R290-I451 HydrophobicContact CG-CD1 4.06Å; R290-I451 HydrophobicContact CG-CG1 4.02Å
291F97.8Very high96.5Very high14 Ų1428.8 Ų28.86%0.06115%0.152CC..Hα-helixtrans-59.2-55.8175.3172.4-87.9000111.2E287 E288 M289 A293 A294 E295 H325 L461 P463 P464E287-F291 PolarHBondContact O-N 3.23Å; E288-F291 WeakPolarHBondContact O-CB 3.35Å; E288-F291 PolarHBondContact O-N 2.91Å; M289-F291 VanDerWaalsContact C-N 3.27Å; M289-F291 PolarHBondContact O-N 3.36Å; F291-A293 VanDerWaalsContact C-N 3.31Å; F291-A293 PolarHBondContact O-N 2.54Å; F291-A294 PolarHBondContact O-N 2.64Å; F291-E295 HydrophobicContact CZ-CG 4.41Å; F291-E295 WeakPolarHBondContact CZ-OE1 3.16Å; F291-E295 PolarHBondContact O-N 2.95Å; F291-H325 AromaticContact CZ-ND1 3.73Å; F291-L461 HydrophobicContact CD2-CB 4.09Å; F291-L461 HydrophobicContact CE2-CB 3.86Å; F291-P463 HydrophobicContact CE1-CB 3.93Å; F291-P463 HydrophobicContact CE1-CG 4.29Å; F291-P463 HydrophobicContact CE2-CB 4.3Å; F291-P463 HydrophobicContact CE2-CG 4.14Å; F291-P463 HydrophobicContact CZ-CB 3.72Å; F291-P463 HydrophobicContact CZ-CG 3.62Å; F291-P464 HydrophobicContact CB-CG 4.32Å; F291-P464 HydrophobicContact CD1-CG 4.04Å; F291-P464 HydrophobicContact CG-CG 4.32Å
292Y97.9Very high97.1Very high0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-64.6-36.4-179.4-63.5-54.5000112.5L274 F284 E288 M289 A294 E295 V296 V326 P464 L465L274-Y292 HydrophobicContact CD1-CD1 4.49Å; L274-Y292 HydrophobicContact CD1-CG 4.25Å; L274-Y292 HydrophobicContact CD2-CD1 4.21Å; L274-Y292 HydrophobicContact CD2-CD2 4.11Å; L274-Y292 HydrophobicContact CD2-CE1 4.04Å; L274-Y292 HydrophobicContact CD2-CE2 3.93Å; L274-Y292 HydrophobicContact CD2-CG 4.24Å; F284-Y292 HydrophobicContact CD1-CE2 4.04Å; F284-Y292 AromaticContact CE1-CE2 3.7Å; F284-Y292 HydrophobicContact CE1-CE2 3.7Å; F284-Y292 HydrophobicContact CZ-CE2 4.11Å; E288-Y292 WeakPolarHBondContact O-CD2 3.29Å; E288-Y292 PolarHBondContact O-N 3.1Å; M289-Y292 PolarHBondContact O-N 2.85Å; Y292-A294 VanDerWaalsContact C-N 3.34Å; Y292-A294 PolarHBondContact O-N 3.26Å; Y292-E295 PolarHBondContact O-N 2.98Å; Y292-V296 WeakPolarHBondContact O-CB 3.28Å; Y292-V296 VanDerWaalsContact O-CG2 3.29Å; Y292-V296 WeakPolarHBondContact O-CG2 3.3Å; Y292-V296 PolarHBondContact O-N 3.47Å; Y292-V326 HydrophobicContact CD1-CB 4.41Å; Y292-V326 HydrophobicContact CD1-CG1 3.44Å; Y292-V326 VanDerWaalsContact CD1-CG1 3.44Å; Y292-V326 HydrophobicContact CD1-CG2 4.09Å; Y292-V326 HydrophobicContact CE1-CG1 3.64Å; Y292-P464 HydrophobicContact CD2-CG 4.4Å; Y292-P464 HydrophobicContact CE1-CG 4.38Å; Y292-P464 HydrophobicContact CE2-CG 3.64Å; Y292-L465 WeakPolarHBondContact OH-CB 3.41Å
293A98.4Very high97.3Very high0 Ų023.6 Ų23.60%012%0.119CC..Hα-helixtrans-60.6-43.1175.600000111.7M289 F291 V296 I297 F372 L376 F448M289-A293 VanDerWaalsContact O-CB 3.23Å; M289-A293 WeakPolarHBondContact O-CB 3.5Å; M289-A293 PolarHBondContact O-N 2.85Å; M289-A293 HydrophobicContact SD-CB 3.83Å; F291-A293 VanDerWaalsContact C-N 3.31Å; F291-A293 PolarHBondContact O-N 2.54Å; A293-V296 PolarHBondContact O-N 3.05Å; A293-I297 WeakPolarHBondContact O-CB 3.4Å; A293-I297 WeakPolarHBondContact O-CD1 3.12Å; A293-I297 WeakPolarHBondContact O-CG1 3.36Å; A293-I297 PolarHBondContact O-N 3.21Å; A293-F372 HydrophobicContact CB-CE2 4.24Å; A293-F372 HydrophobicContact CB-CZ 3.91Å; A293-L376 HydrophobicContact CB-CD1 4.21Å; A293-L376 HydrophobicContact CB-CD2 3.78Å; A293-F448 HydrophobicContact CB-CE1 3.94Å; A293-F448 HydrophobicContact CB-CZ 4.03Å
294A98.5Very high97.5Very high0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-62.8-45.5179.100000112R290 F291 Y292 I297 L298 I451 W453 V456R290-A294 WeakPolarHBondContact O-CB 3.37Å; R290-A294 PolarHBondContact O-N 2.84Å; F291-A294 PolarHBondContact O-N 2.64Å; Y292-A294 VanDerWaalsContact C-N 3.34Å; Y292-A294 PolarHBondContact O-N 3.26Å; A294-I297 PolarHBondContact O-N 3.31Å; A294-L298 PolarHBondContact O-N 3.22Å; A294-I451 HydrophobicContact CB-CG2 4.19Å; A294-W453 HydrophobicContact CB-CH2 4.13Å; A294-W453 HydrophobicContact CB-CZ3 3.99Å; A294-V456 HydrophobicContact CB-CG1 4.09Å; A294-V456 HydrophobicContact CB-CG2 3.97Å
295E98.4Very high97.5Very high2 Ų228.4 Ų28.41%0.00913%0.13CC..Hα-helixtrans-64.9-42.9177.8-65.1-163.3144.100112.1F248 F291 Y292 I297 L298 G299 H325 V326 V456F248-E295 WeakPolarHBondContact CB-O 3.38Å; F248-E295 HydrophobicContact CD1-CB 3.66Å; F248-E295 HydrophobicContact CD1-CG 4.01Å; F248-E295 HydrophobicContact CE1-CB 3.85Å; F248-E295 HydrophobicContact CE1-CG 3.69Å; F248-E295 HydrophobicContact CG-CB 4.5Å; F248-E295 WeakPolarHBondContact CG-O 3.45Å; F291-E295 HydrophobicContact CZ-CG 4.41Å; F291-E295 WeakPolarHBondContact CZ-OE1 3.16Å; F291-E295 PolarHBondContact O-N 2.95Å; Y292-E295 PolarHBondContact O-N 2.98Å; E295-I297 PolarHBondContact O-N 3.13Å; E295-L298 PolarHBondContact O-N 2.87Å; E295-G299 PolarHBondContact O-N 3.42Å; E295-H325 IonicContact OE1-CE1 3.73Å; E295-H325 IonicContact OE1-CG 2.69Å; E295-H325 IonicContact OE1-ND1 2.65Å; E295-H325 PolarHBondContact OE1-ND1 3.5Å; E295-V326 HydrophobicContact CB-CG2 3.63Å; E295-V326 HydrophobicContact CG-CG2 4.44Å; E295-V326 WeakPolarHBondContact OE2-CG2 3.42Å; E295-V326 PolarHBondContact OE2-N 3.12Å; E295-V456 HydrophobicContact CG-CG1 3.86Å
296V98.5Very high97.5Very high1 Ų127.3 Ų27.31%0.00612%0.116CC..Hα-helixtrans-65.8-37177.7172.80000111.8Y292 A293 L298 G299 L300 L313 I318 V326 I328 F372 M375Y292-V296 WeakPolarHBondContact O-CB 3.28Å; Y292-V296 VanDerWaalsContact O-CG2 3.29Å; Y292-V296 WeakPolarHBondContact O-CG2 3.3Å; Y292-V296 PolarHBondContact O-N 3.47Å; A293-V296 PolarHBondContact O-N 3.05Å; V296-L298 VanDerWaalsContact C-N 3.31Å; V296-L298 PolarHBondContact O-N 3.25Å; V296-G299 PolarHBondContact O-N 2.81Å; V296-L300 HydrophobicContact CG1-CD1 4.23Å; V296-L300 HydrophobicContact CG1-CG 4.29Å; V296-L300 WeakPolarHBondContact O-CG 3.29Å; V296-L300 PolarHBondContact O-N 3.02Å; V296-L313 HydrophobicContact CG1-CD1 4.13Å; V296-L313 HydrophobicContact CG1-CD2 4.13Å; V296-I318 HydrophobicContact CG2-CD1 3.98Å; V296-I318 HydrophobicContact CG2-CG1 4.43Å; V296-I318 HydrophobicContact CG2-CG2 4.3Å; V296-V326 HydrophobicContact CG2-CG2 4.22Å; V296-I328 HydrophobicContact CG1-CD1 4.28Å; V296-F372 HydrophobicContact CB-CE2 4.25Å; V296-F372 HydrophobicContact CG1-CD2 3.86Å; V296-F372 HydrophobicContact CG1-CE2 4.05Å; V296-M375 HydrophobicContact CB-CE 4.37Å; V296-M375 HydrophobicContact CG1-CE 4.06Å; V296-M375 HydrophobicContact CG2-CE 4.14Å
297I98.6Very high97.5Very high0 Ų032.2 Ų32.20%013%0.134CC..Hα-helixtrans-57.8-45.2174.6-76.7164.3000110.7A293 A294 E295 L300 E301 W369 F372 A439 L442 K443 F448 W453A293-I297 WeakPolarHBondContact O-CB 3.4Å; A293-I297 WeakPolarHBondContact O-CD1 3.12Å; A293-I297 WeakPolarHBondContact O-CG1 3.36Å; A293-I297 PolarHBondContact O-N 3.21Å; A294-I297 PolarHBondContact O-N 3.31Å; E295-I297 PolarHBondContact O-N 3.13Å; I297-L300 PolarHBondContact O-N 3.39Å; I297-E301 VanDerWaalsContact O-CB 3.3Å; I297-E301 WeakPolarHBondContact O-CB 3.2Å; I297-E301 PolarHBondContact O-N 2.9Å; I297-W369 HydrophobicContact CG1-CZ3 4.23Å; I297-F372 HydrophobicContact CD1-CE1 4.27Å; I297-F372 HydrophobicContact CD1-CE2 4.47Å; I297-F372 HydrophobicContact CD1-CZ 3.69Å; I297-F372 HydrophobicContact CG1-CE1 4.25Å; I297-F372 HydrophobicContact CG1-CE2 3.92Å; I297-F372 HydrophobicContact CG1-CZ 3.58Å; I297-A439 HydrophobicContact CG2-CB 4.15Å; I297-L442 HydrophobicContact CD1-CB 4.11Å; I297-L442 HydrophobicContact CD1-CD2 4.18Å; I297-L442 HydrophobicContact CG1-CD2 4.34Å; I297-K443 HydrophobicContact CG2-CG 4.23Å; I297-F448 HydrophobicContact CD1-CE1 4.19Å; I297-F448 HydrophobicContact CD1-CE2 3.87Å; I297-F448 HydrophobicContact CD1-CZ 3.58Å; I297-W453 HydrophobicContact CB-CH2 4.29Å; I297-W453 HydrophobicContact CB-CZ3 4.1Å; I297-W453 HydrophobicContact CD1-CH2 3.83Å; I297-W453 HydrophobicContact CD1-CZ3 4.49Å; I297-W453 HydrophobicContact CG2-CH2 4.06Å; I297-W453 HydrophobicContact CG2-CZ3 3.84Å
298L98Very high97.6Very high12 Ų1225.3 Ų25.36%0.06310%0.102CC..Hα-helixtrans-68.4-35179.1-66.2-177.1000112.3F248 A294 E295 V296 E301 H302 W453 V456F248-L298 HydrophobicContact CD2-CB 3.35Å; F248-L298 HydrophobicContact CD2-CD1 4.21Å; F248-L298 HydrophobicContact CD2-CG 4.42Å; F248-L298 HydrophobicContact CE2-CB 3.43Å; F248-L298 VanDerWaalsContact CE2-CB 3.43Å; F248-L298 HydrophobicContact CE2-CD1 3.36Å; F248-L298 HydrophobicContact CE2-CG 4.03Å; F248-L298 HydrophobicContact CG-CB 4.22Å; F248-L298 HydrophobicContact CZ-CB 4.36Å; F248-L298 HydrophobicContact CZ-CD1 3.75Å; A294-L298 PolarHBondContact O-N 3.22Å; E295-L298 PolarHBondContact O-N 2.87Å; V296-L298 VanDerWaalsContact C-N 3.31Å; V296-L298 PolarHBondContact O-N 3.25Å; L298-E301 WeakPolarHBondContact CD2-OE2 3.29Å; L298-H302 PolarHBondContact O-N 3.37Å; L298-H302 VanDerWaalsContact O-N 3.12Å; L298-W453 HydrophobicContact CD1-CE3 4.38Å; L298-W453 HydrophobicContact CD2-CE3 3.91Å; L298-W453 HydrophobicContact CD2-CZ3 4.35Å; L298-W453 HydrophobicContact CG-CE3 4.08Å; L298-W453 HydrophobicContact CG-CZ3 4.28Å; L298-V456 HydrophobicContact CD1-CB 3.9Å; L298-V456 HydrophobicContact CD1-CG1 3.58Å
299G98.1Very high97.7Very high0 Ų023.4 Ų23.40%09%0.093CC..Hα-helixtrans-62.6-48.1171.400000112.7E295 V296 H302 M303E295-G299 PolarHBondContact O-N 3.42Å; V296-G299 PolarHBondContact O-N 2.81Å; G299-H302 PolarHBondContact O-N 3.07Å; G299-M303 PolarHBondContact O-N 2.79Å
300L98.5Very high97.7Very high0 Ų023.5 Ų23.50%09%0.093CC..Hα-helixtrans-63.2-43.5176.7-70178.2000111.7V296 I297 H302 M303 H304 L313 I328 D368 W369 F372V296-L300 HydrophobicContact CG1-CD1 4.23Å; V296-L300 HydrophobicContact CG1-CG 4.29Å; V296-L300 WeakPolarHBondContact O-CG 3.29Å; V296-L300 PolarHBondContact O-N 3.02Å; I297-L300 PolarHBondContact O-N 3.39Å; L300-H302 VanDerWaalsContact C-N 3.27Å; L300-H302 PolarHBondContact O-N 2.87Å; L300-M303 PolarHBondContact O-N 3.29Å; L300-M303 VanDerWaalsContact O-N 3.13Å; L300-H304 WeakPolarHBondContact O-CB 3.18Å; L300-H304 PolarHBondContact O-CD2 2.64Å; L300-H304 VanDerWaalsContact O-CD2 3.22Å; L300-H304 PolarHBondContact O-N 3.41Å; L300-L313 HydrophobicContact CD1-CD2 3.92Å; L300-L313 HydrophobicContact CD2-CD2 4.4Å; L300-I328 HydrophobicContact CD2-CD1 4Å; L300-I328 HydrophobicContact CG-CD1 4.11Å; L300-D368 HydrophobicContact CD1-CB 4.35Å; L300-D368 HydrophobicContact CD2-CB 3.98Å; L300-W369 HydrophobicContact CB-CH2 4.26Å; L300-W369 HydrophobicContact CB-CZ3 4.48Å; L300-W369 HydrophobicContact CD1-CE3 4.16Å; L300-W369 HydrophobicContact CD1-CH2 4.42Å; L300-W369 HydrophobicContact CD1-CZ3 3.85Å; L300-F372 HydrophobicContact CD1-CB 4.32Å; L300-F372 HydrophobicContact CD1-CD2 4.38Å
301E97.7Very high97.7Very high18 Ų1822.6 Ų22.68%0.0849%0.09CC..Hα-helixtrans-55.7-43.3176.9179.4178.5-145.100112I297 L298 M303 H304 R305 A439 K443I297-E301 VanDerWaalsContact O-CB 3.3Å; I297-E301 WeakPolarHBondContact O-CB 3.2Å; I297-E301 PolarHBondContact O-N 2.9Å; L298-E301 WeakPolarHBondContact CD2-OE2 3.29Å; E301-M303 VanDerWaalsContact C-N 3.33Å; E301-M303 PolarHBondContact O-N 3.03Å; E301-H304 PolarHBondContact O-N 3.47Å; E301-R305 VanDerWaalsContact CD-NH2 3.33Å; E301-R305 HydrophobicContact CG-CG 4.3Å; E301-R305 WeakPolarHBondContact O-CB 3.34Å; E301-R305 VanDerWaalsContact O-CG 3.27Å; E301-R305 WeakPolarHBondContact O-CG 3.46Å; E301-R305 PolarHBondContact O-N 3.41Å; E301-R305 IonicContact OE1-CZ 3.67Å; E301-R305 VanDerWaalsContact OE1-CZ 3.29Å; E301-R305 IonicContact OE1-NE 3.76Å; E301-R305 PolarHBondContact OE1-NE 3.22Å; E301-R305 IonicContact OE1-NH2 2.9Å; E301-R305 PolarHBondContact OE1-NH2 2.92Å; E301-R305 IonicContact OE2-NH2 3.74Å; E301-A439 HydrophobicContact CB-CB 3.81Å; E301-A439 HydrophobicContact CG-CB 3.94Å; E301-K443 IonicContact OE1-NZ 3.81Å; E301-K443 PolarHBondContact OE1-NZ 2.9Å; E301-K443 WeakPolarHBondContact OE2-CE 3.32Å; E301-K443 IonicContact OE2-NZ 3.66Å; E301-K443 PolarHBondContact OE2-NZ 3.4Å
302H96.8Very high97.7Very high16 Ų1622.3 Ų22.37%0.0749%0.089CC..Hα-helixtrans-61.3-40.6178.1-177.188.1000112.9V240 Q244 C246 I249 L298 G299 L300 R306V240-H302 PolarHBondContact O-NE2 2.83Å; Q244-H302 PolarHBondContact O-CE1 3.15Å; C246-H302 HydrophobicContact CB-CB 4.31Å; I249-H302 HydrophobicContact CD1-CB 4.05Å; I249-H302 VanDerWaalsContact CD1-CD2 3.48Å; I249-H302 WeakPolarHBondContact CD1-CD2 3.31Å; L298-H302 PolarHBondContact O-N 3.37Å; L298-H302 VanDerWaalsContact O-N 3.12Å; G299-H302 PolarHBondContact O-N 3.07Å; L300-H302 VanDerWaalsContact C-N 3.27Å; L300-H302 PolarHBondContact O-N 2.87Å; H302-R306 PolarHBondContact CE1-NH1 3.04Å; H302-R306 PolarHBondContact CE1-NH2 2.64Å; H302-R306 PolarHBondContact ND1-NH1 2.97Å; H302-R306 PolarHBondContact NE2-NH1 3.25Å; H302-R306 PolarHBondContact O-NH1 3.33Å
303M97.8Very high97.7Very high0 Ų022.3 Ų22.30%09%0.089CC..Hα-helixtrans-68.6-46.2174.7-62.4-169.6-165.400111.1V240 I249 G299 L300 E301 R305 R306 Y307 I308 Y310 I328 L331V240-M303 HydrophobicContact CG1-CG 4.15Å; I249-M303 HydrophobicContact CB-CE 4.48Å; I249-M303 HydrophobicContact CD1-CE 3.62Å; I249-M303 HydrophobicContact CD1-CG 3.68Å; I249-M303 HydrophobicContact CG1-CE 3.71Å; I249-M303 HydrophobicContact CG2-CE 3.94Å; G299-M303 PolarHBondContact O-N 2.79Å; L300-M303 PolarHBondContact O-N 3.29Å; L300-M303 VanDerWaalsContact O-N 3.13Å; E301-M303 VanDerWaalsContact C-N 3.33Å; E301-M303 PolarHBondContact O-N 3.03Å; M303-R305 PolarHBondContact O-N 3.22Å; M303-R306 CarbonylContact O-C 3.46Å; M303-R306 WeakPolarHBondContact O-CA 3.46Å; M303-R306 WeakPolarHBondContact O-CB 3.46Å; M303-R306 PolarHBondContact O-N 3.32Å; M303-Y307 PolarHBondContact O-N 3.12Å; M303-I308 CarbonylContact C-O 3.57Å; M303-I308 HydrophobicContact CB-CB 4.09Å; M303-I308 HydrophobicContact CB-CG2 4.28Å; M303-I308 WeakPolarHBondContact O-CB 3.5Å; M303-I308 PolarHBondContact O-N 3.21Å; M303-Y310 HydrophobicContact CE-CD2 4.06Å; M303-Y310 HydrophobicContact SD-CD2 3.98Å; M303-Y310 HydrophobicContact SD-CG 4.21Å; M303-I328 HydrophobicContact CE-CB 4.11Å; M303-I328 HydrophobicContact CE-CD1 4.24Å; M303-I328 HydrophobicContact CE-CG2 3.84Å; M303-L331 HydrophobicContact CE-CD2 3.79Å; M303-L331 HydrophobicContact CE-CG 4.49Å; M303-L331 HydrophobicContact SD-CD2 3.92Å
304H97.6Very high97.5Very high25 Ų2524.1 Ų24.112%0.11610%0.097CC..Hα-helixtrans-65.8-38.1-176-65.8-179.3000112.2L300 E301 R306 Y307 I308 S365 D368 W369L300-H304 WeakPolarHBondContact O-CB 3.18Å; L300-H304 PolarHBondContact O-CD2 2.64Å; L300-H304 VanDerWaalsContact O-CD2 3.22Å; L300-H304 PolarHBondContact O-N 3.41Å; E301-H304 PolarHBondContact O-N 3.47Å; H304-R306 PolarHBondContact O-N 3.42Å; H304-Y307 PolarHBondContact O-N 3.45Å; H304-I308 PolarHBondContact CD2-O 3.45Å; H304-S365 WeakPolarHBondContact ND1-CB 3.15Å; H304-D368 IonicContact CD2-OD2 3.29Å; H304-D368 IonicContact CE1-OD2 2.68Å; H304-D368 IonicContact NE2-OD2 2.91Å; H304-D368 PolarHBondContact NE2-OD2 3.17Å; H304-W369 AromaticContact CE1-CE2 3.81Å; H304-W369 AromaticContact CE1-CZ2 3.84Å; H304-W369 AromaticContact CE1-NE1 3.94Å; H304-W369 AromaticContact ND1-CE2 3.86Å; H304-W369 AromaticContact ND1-CZ2 3.61Å; H304-W369 AromaticContact ND1-NE1 3.93Å
305R95.3Very high97.4Very high156 Ų15624.1 Ų24.159%0.58910%0.097SC*.THydrogen-bonded Turntrans-61.1-22.1172.3-74.5176.2-178.9-1720.2112.9E301 M303E301-R305 VanDerWaalsContact CD-NH2 3.33Å; E301-R305 HydrophobicContact CG-CG 4.3Å; E301-R305 WeakPolarHBondContact O-CB 3.34Å; E301-R305 VanDerWaalsContact O-CG 3.27Å; E301-R305 WeakPolarHBondContact O-CG 3.46Å; E301-R305 PolarHBondContact O-N 3.41Å; E301-R305 IonicContact OE1-CZ 3.67Å; E301-R305 VanDerWaalsContact OE1-CZ 3.29Å; E301-R305 IonicContact OE1-NE 3.76Å; E301-R305 PolarHBondContact OE1-NE 3.22Å; E301-R305 IonicContact OE1-NH2 2.9Å; E301-R305 PolarHBondContact OE1-NH2 2.92Å; E301-R305 IonicContact OE2-NH2 3.74Å; M303-R305 PolarHBondContact O-N 3.22Å
306R95.5Very high97Very high63 Ų6325.8 Ų25.824%0.23811%0.111CC..THydrogen-bonded Turntrans-99.212.4174.8-70.1170.1174.269.5-1.7112.9L239 T242 H302 M303 H304 I308L239-R306 WeakPolarHBondContact O-CD 3.45Å; T242-R306 PolarHBondContact O-NH2 3.1Å; H302-R306 PolarHBondContact CE1-NH1 3.04Å; H302-R306 PolarHBondContact CE1-NH2 2.64Å; H302-R306 PolarHBondContact ND1-NH1 2.97Å; H302-R306 PolarHBondContact NE2-NH1 3.25Å; H302-R306 PolarHBondContact O-NH1 3.33Å; M303-R306 CarbonylContact O-C 3.46Å; M303-R306 WeakPolarHBondContact O-CA 3.46Å; M303-R306 WeakPolarHBondContact O-CB 3.46Å; M303-R306 PolarHBondContact O-N 3.32Å; H304-R306 PolarHBondContact O-N 3.42Å; R306-I308 VanDerWaalsContact C-N 3.26Å; R306-I308 HydrophobicContact CB-CD1 3.99Å; R306-I308 HydrophobicContact CB-CG1 4.28Å; R306-I308 PolarHBondContact O-N 3.47Å
307Y97Very high96.9Very high138 Ų13826.4 Ų26.454%0.54111%0.114SC..THydrogen-bonded Turntrans57.536.8-177-50.4-87.3000113.1M303 H304 D336 F337M303-Y307 PolarHBondContact O-N 3.12Å; H304-Y307 PolarHBondContact O-N 3.45Å; Y307-D336 CarbonylContact O-C 3.35Å; Y307-D336 WeakPolarHBondContact O-CA 3.36Å; Y307-F337 HydrophobicContact CD1-CD2 4.36Å; Y307-F337 AromaticContact CD1-CE2 3.84Å; Y307-F337 HydrophobicContact CD1-CE2 3.84Å; Y307-F337 HydrophobicContact CD1-CZ 4.46Å; Y307-F337 HydrophobicContact CG-CE2 4.41Å; Y307-F337 WeakPolarHBondContact O-CD1 3.29Å; Y307-F337 VanDerWaalsContact O-CE1 3.31Å; Y307-F337 WeakPolarHBondContact O-CE1 3.4Å; Y307-F337 WeakPolarHBondContact O-CG 3.11Å; Y307-F337 PolarHBondContact O-N 3.38Å
308I97.9Very high96.8Very high0 Ų026.4 Ų26.40%011%0.114CC..EExtended strand (participates in β ladder)trans-108.6125.2176.7-62.2167000108.6M236 L239 V240 M303 H304 R306 A334 C335M236-I308 HydrophobicContact SD-CG2 4.2Å; L239-I308 HydrophobicContact CB-CD1 3.7Å; L239-I308 HydrophobicContact CD1-CD1 4.3Å; V240-I308 HydrophobicContact CG1-CD1 3.55Å; M303-I308 CarbonylContact C-O 3.57Å; M303-I308 HydrophobicContact CB-CB 4.09Å; M303-I308 HydrophobicContact CB-CG2 4.28Å; M303-I308 WeakPolarHBondContact O-CB 3.5Å; M303-I308 PolarHBondContact O-N 3.21Å; H304-I308 PolarHBondContact CD2-O 3.45Å; R306-I308 VanDerWaalsContact C-N 3.26Å; R306-I308 HydrophobicContact CB-CD1 3.99Å; R306-I308 HydrophobicContact CB-CG1 4.28Å; R306-I308 PolarHBondContact O-N 3.47Å; I308-A334 HydrophobicContact CG2-CB 4.06Å; I308-C335 WeakPolarHBondContact CA-O 3.18Å
309V98.3Very high96.7Very high0 Ų027.6 Ų27.60%012%0.121CC..EExtended strand (participates in β ladder)trans-99.2132169.260.80000108.9R311 A334 C335 F337 P342 D364 A367 D368V309-R311 HydrophobicContact CB-CG 4.28Å; V309-R311 HydrophobicContact CG1-CG 3.88Å; V309-R311 HydrophobicContact CG2-CG 3.64Å; V309-A334 CarbonylContact O-C 3.53Å; V309-A334 WeakPolarHBondContact O-CA 3.37Å; V309-A334 WeakPolarHBondContact O-CB 3.04Å; V309-C335 HydrophobicContact CG1-CB 3.91Å; V309-C335 WeakPolarHBondContact CG1-O 3.19Å; V309-C335 PolarHBondContact N-O 3.44Å; V309-C335 PolarHBondContact O-N 3.28Å; V309-F337 HydrophobicContact CB-CD1 3.96Å; V309-F337 HydrophobicContact CB-CE1 4.07Å; V309-F337 HydrophobicContact CG1-CD1 4.04Å; V309-P342 HydrophobicContact CG1-CG 4.13Å; V309-D364 VanDerWaalsContact CG2-O 3.29Å; V309-D364 WeakPolarHBondContact CG2-O 3.43Å; V309-A367 HydrophobicContact CG2-CB 4.19Å; V309-D368 WeakPolarHBondContact CG2-OD2 2.96Å
310Y98.3Very high96.5Very high1 Ų127.6 Ų27.60%0.00412%0.121CC..  trans-82.4-43-171.9178.6-113.9000113.3M303 D312 L313 N317 I328 S329 D330 L331 A334 D368M303-Y310 HydrophobicContact CE-CD2 4.06Å; M303-Y310 HydrophobicContact SD-CD2 3.98Å; M303-Y310 HydrophobicContact SD-CG 4.21Å; Y310-D312 HydrophobicContact CE1-CB 4.37Å; Y310-D312 WeakPolarHBondContact CE1-O 3.41Å; Y310-D312 PolarHBondContact O-N 3.32Å; Y310-D312 VanDerWaalsContact O-N 3.1Å; Y310-L313 HydrophobicContact CD1-CB 3.94Å; Y310-L313 HydrophobicContact CD1-CD1 4.01Å; Y310-L313 HydrophobicContact CE1-CB 4.12Å; Y310-L313 HydrophobicContact CE1-CD1 3.96Å; Y310-N317 VanDerWaalsContact OH-CB 3.24Å; Y310-N317 WeakPolarHBondContact OH-CB 3.48Å; Y310-N317 PolarHBondContact OH-ND2 2.73Å; Y310-I328 HydrophobicContact CD1-CG2 4.2Å; Y310-I328 HydrophobicContact CD2-CG2 4.04Å; Y310-I328 HydrophobicContact CE1-CG2 3.8Å; Y310-I328 HydrophobicContact CE2-CG2 3.63Å; Y310-I328 HydrophobicContact CG-CG2 4.33Å; Y310-S329 WeakPolarHBondContact CE2-O 3.45Å; Y310-S329 VanDerWaalsContact CZ-O 3.3Å; Y310-S329 PolarHBondContact OH-O 3.43Å; Y310-D330 WeakPolarHBondContact CE2-O 3.33Å; Y310-D330 PolarHBondContact OH-O 3Å; Y310-L331 HydrophobicContact CD2-CD2 4.27Å; Y310-L331 HydrophobicContact CD2-CG 4.46Å; Y310-L331 HydrophobicContact CE2-CG 4.33Å; Y310-A334 HydrophobicContact CD2-CB 4.49Å; Y310-A334 WeakPolarHBondContact O-CA 3.33Å; Y310-D368 PolarHBondContact N-OD1 3.45Å; Y310-D368 PolarHBondContact N-OD2 3.44Å
311R97.5Very high96.1Very high28 Ų2828.4 Ų28.411%0.10613%0.125CC..  trans67-7.6172-52.2-170.3-66179.5-4.2118.2V309 L333 G347 Y363 D368V309-R311 HydrophobicContact CB-CG 4.28Å; V309-R311 HydrophobicContact CG1-CG 3.88Å; V309-R311 HydrophobicContact CG2-CG 3.64Å; R311-L333 PolarHBondContact NE-O 2.91Å; R311-L333 PolarHBondContact NH2-O 2.55Å; R311-G347 VanDerWaalsContact O-CA 3.3Å; R311-G347 WeakPolarHBondContact O-CA 3.4Å; R311-Y363 WeakPolarHBondContact CD-OH 3.29Å; R311-Y363 HydrophobicContact CG-CE2 4.22Å; R311-Y363 PolarHBondContact NH1-OH 3.01Å; R311-D368 PolarHBondContact N-OD1 2.92Å
312D96.7Very high95.6Very high9 Ų929.6 Ų29.65%0.04813%0.131CC..  trans-127.335.9179.3-158.236.3000113.9Y310 K314 N317 L333 T348Y310-D312 HydrophobicContact CE1-CB 4.37Å; Y310-D312 WeakPolarHBondContact CE1-O 3.41Å; Y310-D312 PolarHBondContact O-N 3.32Å; Y310-D312 VanDerWaalsContact O-N 3.1Å; D312-K314 PolarHBondContact O-N 3.13Å; D312-K314 IonicContact OD1-NZ 3.47Å; D312-K314 PolarHBondContact OD1-NZ 3.21Å; D312-K314 VanDerWaalsContact OD2-CE 3.31Å; D312-K314 WeakPolarHBondContact OD2-CE 3.41Å; D312-K314 IonicContact OD2-NZ 3.86Å; D312-K314 PolarHBondContact OD2-NZ 3.34Å; D312-N317 PolarHBondContact O-ND2 3.14Å; D312-N317 PolarHBondContact OD2-ND2 3.27Å; D312-L333 HydrophobicContact CB-CB 4.31Å; D312-L333 HydrophobicContact CB-CD1 3.98Å; D312-T348 WeakPolarHBondContact OD1-CB 3.49Å; D312-T348 PolarHBondContact OD1-N 2.68Å; D312-T348 VanDerWaalsContact OD1-N 3.11Å; D312-T348 PolarHBondContact OD1-OG1 3.22Å
313L97.8Very high95.3Very high0 Ų031.9 Ų31.90%014%0.143CC..  trans-70.1115.1-178.7-160.769000111.9V296 L300 Y310 I318 I328 Y351 F372 M375V296-L313 HydrophobicContact CG1-CD1 4.13Å; V296-L313 HydrophobicContact CG1-CD2 4.13Å; L300-L313 HydrophobicContact CD1-CD2 3.92Å; L300-L313 HydrophobicContact CD2-CD2 4.4Å; Y310-L313 HydrophobicContact CD1-CB 3.94Å; Y310-L313 HydrophobicContact CD1-CD1 4.01Å; Y310-L313 HydrophobicContact CE1-CB 4.12Å; Y310-L313 HydrophobicContact CE1-CD1 3.96Å; L313-I318 HydrophobicContact CD1-CD1 3.78Å; L313-I328 HydrophobicContact CD1-CD1 4.43Å; L313-Y351 WeakPolarHBondContact O-CD1 3.35Å; L313-F372 HydrophobicContact CD2-CB 3.72Å; L313-F372 HydrophobicContact CD2-CD2 4.25Å; L313-M375 HydrophobicContact CD1-SD 4.43Å; L313-M375 HydrophobicContact CG-SD 4.06Å
314K95.5Very high95.1Very high38 Ų3831.9 Ų31.917%0.16514%0.143CC..SBendtrans-158.2159179.364.3-166172.2-161.10109.6D312 A316 N317 T348 Y351D312-K314 PolarHBondContact O-N 3.13Å; D312-K314 IonicContact OD1-NZ 3.47Å; D312-K314 PolarHBondContact OD1-NZ 3.21Å; D312-K314 VanDerWaalsContact OD2-CE 3.31Å; D312-K314 WeakPolarHBondContact OD2-CE 3.41Å; D312-K314 IonicContact OD2-NZ 3.86Å; D312-K314 PolarHBondContact OD2-NZ 3.34Å; K314-A316 HydrophobicContact CG-CB 4.31Å; K314-A316 PolarHBondContact O-N 2.66Å; K314-A316 VanDerWaalsContact O-N 3.08Å; K314-N317 VanDerWaalsContact CE-CG 3.42Å; K314-N317 WeakPolarHBondContact CE-ND2 3.21Å; K314-N317 WeakPolarHBondContact CE-OD1 3.47Å; K314-N317 HydrophobicContact CG-CB 4.29Å; K314-N317 PolarHBondContact O-N 3.27Å; K314-T348 HydrophobicContact CD-CG2 4.15Å; K314-T348 WeakPolarHBondContact CD-OG1 2.96Å; K314-T348 PolarHBondContact NZ-OG1 2.78Å; K314-Y351 HydrophobicContact CB-CD1 4.27Å; K314-Y351 HydrophobicContact CB-CD2 4.16Å; K314-Y351 HydrophobicContact CB-CE1 4Å; K314-Y351 HydrophobicContact CB-CE2 3.86Å; K314-Y351 HydrophobicContact CB-CG 4.35Å
315P94.8Very high95Very high0 Ų031.3 Ų31.30%014%0.141CC..G310 helixtrans-56.8-31.4-177.6-27.536.5000114.6L274 H275 N317 I318 M375 K378 L379L274-P315 HydrophobicContact CB-CB 3.95Å; L274-P315 WeakPolarHBondContact CB-O 3.39Å; L274-P315 PolarHBondContact N-O 3.02Å; H275-P315 HydrophobicContact CB-CB 4.08Å; H275-P315 PolarHBondContact N-O 3.27Å; P315-N317 PolarHBondContact O-N 2.99Å; P315-I318 PolarHBondContact O-N 2.81Å; P315-M375 HydrophobicContact CG-CG 3.93Å; P315-K378 HydrophobicContact CG-CD 4.04Å; P315-K378 HydrophobicContact CG-CG 4.47Å; P315-L379 HydrophobicContact CB-CD2 4.44Å; P315-L379 HydrophobicContact CG-CD2 4.29Å
316A91.9Very high95.1Very high37 Ų3724 Ų2431%0.30611%0.113SC..G310 helixtrans-68.4-18.1178.900000114H275 K314H275-A316 HydrophobicContact CB-CB 3.95Å; K314-A316 HydrophobicContact CG-CB 4.31Å; K314-A316 PolarHBondContact O-N 2.66Å; K314-A316 VanDerWaalsContact O-N 3.08Å
317N95.4Very high95.3Very high13 Ų1322.4 Ų22.47%0.0711%0.107CC..G310 helixtrans-1015.3177.2-68.58000112.5Y310 D312 K314 P315 S329Y310-N317 VanDerWaalsContact OH-CB 3.24Å; Y310-N317 WeakPolarHBondContact OH-CB 3.48Å; Y310-N317 PolarHBondContact OH-ND2 2.73Å; D312-N317 PolarHBondContact O-ND2 3.14Å; D312-N317 PolarHBondContact OD2-ND2 3.27Å; K314-N317 VanDerWaalsContact CE-CG 3.42Å; K314-N317 WeakPolarHBondContact CE-ND2 3.21Å; K314-N317 WeakPolarHBondContact CE-OD1 3.47Å; K314-N317 HydrophobicContact CG-CB 4.29Å; K314-N317 PolarHBondContact O-N 3.27Å; P315-N317 PolarHBondContact O-N 2.99Å; N317-S329 PolarHBondContact O-N 3.16Å
318I97Very high95.3Very high0 Ų015.9 Ų15.90%08%0.082CC..EExtended strand (participates in β ladder)trans-104.5104.8175.1-54.3-54.6000107.8D273 L274 V296 L313 P315 V326 I328 M375D273-I318 CarbonylContact C-O 3.52Å; D273-I318 VanDerWaalsContact CA-O 3.3Å; D273-I318 WeakPolarHBondContact CA-O 3.31Å; L274-I318 HydrophobicContact CB-CB 4.27Å; L274-I318 HydrophobicContact CD1-CB 3.75Å; L274-I318 HydrophobicContact CD1-CG1 4.32Å; L274-I318 HydrophobicContact CD1-CG2 3.43Å; L274-I318 VanDerWaalsContact CD1-CG2 3.43Å; L274-I318 HydrophobicContact CG-CB 4.04Å; L274-I318 HydrophobicContact CG-CG2 3.85Å; L274-I318 PolarHBondContact N-O 2.73Å; V296-I318 HydrophobicContact CG2-CD1 3.98Å; V296-I318 HydrophobicContact CG2-CG1 4.43Å; V296-I318 HydrophobicContact CG2-CG2 4.3Å; L313-I318 HydrophobicContact CD1-CD1 3.78Å; P315-I318 PolarHBondContact O-N 2.81Å; I318-V326 HydrophobicContact CG2-CB 3.49Å; I318-V326 VanDerWaalsContact CG2-CB 3.49Å; I318-V326 HydrophobicContact CG2-CG1 3.68Å; I318-V326 HydrophobicContact CG2-CG2 3.92Å; I318-I328 HydrophobicContact CD1-CB 4.4Å; I318-I328 HydrophobicContact CD1-CG1 3.85Å; I318-M375 HydrophobicContact CD1-SD 4.3Å; I318-M375 HydrophobicContact CG1-SD 3.74Å
319L95.1Very high95.2Very high37 Ų3716.9 Ų16.919%0.1949%0.089CC..EExtended strand (participates in β ladder)trans-94144.4-176.8-56-173.8000110.6V250 M269 G272 D273 V326 R327 S329V250-L319 HydrophobicContact CG2-CD1 4.33Å; M269-L319 HydrophobicContact CB-CB 3.66Å; M269-L319 HydrophobicContact CB-CD1 3.8Å; M269-L319 HydrophobicContact CB-CG 4.38Å; M269-L319 HydrophobicContact CE-CB 4.08Å; M269-L319 WeakPolarHBondContact CE-O 3.42Å; M269-L319 HydrophobicContact CG-CB 3.87Å; M269-L319 HydrophobicContact CG-CD1 4.01Å; G272-L319 CarbonylContact O-C 3.48Å; G272-L319 WeakPolarHBondContact O-CA 3.19Å; D273-L319 HydrophobicContact CB-CD2 3.63Å; L319-V326 CarbonylContact O-C 3.52Å; L319-V326 WeakPolarHBondContact O-CA 3.45Å; L319-R327 PolarHBondContact N-O 3.36Å; L319-R327 PolarHBondContact O-N 3.38Å; L319-S329 WeakPolarHBondContact CD1-OG 3.35Å
320L94.1Very high94.9Very high0 Ų019.8 Ų19.80%010%0.104CC..EExtended strand (participates in β ladder)trans-98.8148.1173.6-68.174.1000109.8M269 G271 G272 L274 H325 V326 L465 P467M269-L320 VanDerWaalsContact CE-C 3.43Å; G271-L320 WeakPolarHBondContact CA-O 3.29Å; G271-L320 PolarHBondContact N-O 3.38Å; G272-L320 PolarHBondContact O-N 2.87Å; L274-L320 HydrophobicContact CD2-CD1 3.88Å; L274-L320 HydrophobicContact CG-CD1 3.94Å; L320-H325 CarbonylContact C-O 3.46Å; L320-H325 WeakPolarHBondContact CA-O 3.14Å; L320-V326 HydrophobicContact CD1-CG1 4.09Å; L320-V326 HydrophobicContact CG-CG1 3.86Å; L320-L465 HydrophobicContact CD2-CD2 4.01Å; L320-P467 HydrophobicContact CB-CG 4.33Å; L320-P467 HydrophobicContact CD2-CG 4.21Å
321D90.9Very high94.7Very high17 Ų1719.8 Ų19.89%0.09111%0.105CC..  trans-93.9-179.8163.980-4.9000111.7M269 N323 G324 H325 R459M269-D321 HydrophobicContact CE-CB 3.96Å; M269-D321 HydrophobicContact SD-CB 4.29Å; D321-N323 PolarHBondContact O-N 3.45Å; D321-N323 VanDerWaalsContact O-N 3.11Å; D321-N323 WeakPolarHBondContact OD1-CA 3.38Å; D321-N323 PolarHBondContact OD1-N 3.3Å; D321-G324 PolarHBondContact O-N 3.03Å; D321-G324 PolarHBondContact OD1-N 3.18Å; D321-G324 VanDerWaalsContact OD1-N 3.1Å; D321-H325 PolarHBondContact N-O 3.19Å; D321-H325 PolarHBondContact OD1-N 2.99Å; D321-H325 VanDerWaalsContact OD1-N 3.11Å; D321-R459 IonicContact OD1-NH2 3.23Å; D321-R459 IonicContact OD2-CZ 2.81Å; D321-R459 IonicContact OD2-NH1 2.7Å; D321-R459 IonicContact OD2-NH2 3.67Å; D321-R459 PolarHBondContact OD2-NH2 2.73Å
322E86.5Confident94.4Very high44 Ų4418.8 Ų18.821%0.20610%0.102CC..THydrogen-bonded Turntrans-61.2-17-179.858.4177.6-153.400115.8K21 N270K21-E322 VanDerWaalsContact CE-CD 3.48Å; K21-E322 WeakPolarHBondContact CE-OE1 3.12Å; K21-E322 WeakPolarHBondContact CE-OE2 3.08Å; K21-E322 IonicContact NZ-OE1 2.68Å; K21-E322 PolarHBondContact NZ-OE1 2.96Å; K21-E322 IonicContact NZ-OE2 2.7Å; K21-E322 PolarHBondContact NZ-OE2 3.15Å; N270-E322 PolarHBondContact OD1-N 3.15Å
323N90.2Very high94.2Very high63 Ų6320.4 Ų20.434%0.33711%0.111SC..THydrogen-bonded Turntrans-97.4-8.9178.3-62.7-44.4000111.4D321 P463D321-N323 PolarHBondContact O-N 3.45Å; D321-N323 VanDerWaalsContact O-N 3.11Å; D321-N323 WeakPolarHBondContact OD1-CA 3.38Å; D321-N323 PolarHBondContact OD1-N 3.3Å; N323-P463 VanDerWaalsContact O-CG 3.28Å; N323-P463 WeakPolarHBondContact O-CG 3.21Å
324G93.3Very high94.2Very high0 Ų020.4 Ų20.40%011%0.111CC..SBendtrans95.44178.900000114.9D321 L465D321-G324 PolarHBondContact O-N 3.03Å; D321-G324 PolarHBondContact OD1-N 3.18Å; D321-G324 VanDerWaalsContact OD1-N 3.1Å; G324-L465 VanDerWaalsContact CA-O 3.31Å; G324-L465 WeakPolarHBondContact CA-O 3.43Å
325H96.6Very high94.3Very high14 Ų1419.9 Ų19.97%0.06511%0.112CC..  trans-79.3148.4174.9-68-88.9000110.6F291 E295 L320 D321 R459 L461 P463F291-H325 AromaticContact CZ-ND1 3.73Å; E295-H325 IonicContact OE1-CE1 3.73Å; E295-H325 IonicContact OE1-CG 2.69Å; E295-H325 IonicContact OE1-ND1 2.65Å; E295-H325 PolarHBondContact OE1-ND1 3.5Å; L320-H325 CarbonylContact C-O 3.46Å; L320-H325 WeakPolarHBondContact CA-O 3.14Å; D321-H325 PolarHBondContact N-O 3.19Å; D321-H325 PolarHBondContact OD1-N 2.99Å; D321-H325 VanDerWaalsContact OD1-N 3.11Å; H325-R459 VanDerWaalsContact CB-NH2 3.31Å; H325-R459 PolarHBondContact CD2-NH2 3.06Å; H325-R459 PolarHBondContact CE1-O 3.18Å; H325-R459 VanDerWaalsContact CE1-O 3.3Å; H325-R459 VanDerWaalsContact CG-NH2 3.33Å; H325-R459 PolarHBondContact NE2-O 3.03Å; H325-L461 PolarHBondContact CE1-O 2.62Å; H325-P463 WeakPolarHBondContact NE2-CG 3.04Å
326V97.7Very high94.4Very high2 Ų222.6 Ų22.61%0.01213%0.126CC..EExtended strand (participates in β ladder)trans-103.8150.7-174.6-64.50000114.5L274 Y292 E295 V296 I318 L319 L320L274-V326 HydrophobicContact CD1-CG1 4.41Å; L274-V326 HydrophobicContact CD2-CG1 4.49Å; L274-V326 HydrophobicContact CG-CG1 4.34Å; Y292-V326 HydrophobicContact CD1-CB 4.41Å; Y292-V326 HydrophobicContact CD1-CG1 3.44Å; Y292-V326 VanDerWaalsContact CD1-CG1 3.44Å; Y292-V326 HydrophobicContact CD1-CG2 4.09Å; Y292-V326 HydrophobicContact CE1-CG1 3.64Å; E295-V326 HydrophobicContact CB-CG2 3.63Å; E295-V326 HydrophobicContact CG-CG2 4.44Å; E295-V326 WeakPolarHBondContact OE2-CG2 3.42Å; E295-V326 PolarHBondContact OE2-N 3.12Å; V296-V326 HydrophobicContact CG2-CG2 4.22Å; I318-V326 HydrophobicContact CG2-CB 3.49Å; I318-V326 VanDerWaalsContact CG2-CB 3.49Å; I318-V326 HydrophobicContact CG2-CG1 3.68Å; I318-V326 HydrophobicContact CG2-CG2 3.92Å; L319-V326 CarbonylContact O-C 3.52Å; L319-V326 WeakPolarHBondContact O-CA 3.45Å; L320-V326 HydrophobicContact CD1-CG1 4.09Å; L320-V326 HydrophobicContact CG-CG1 3.86Å
327R98Very high94.6Very high30 Ų3022 Ų2211%0.11312%0.117CC..EExtended strand (participates in β ladder)trans-134.2142.8168-57.4-168.8-179.3-150.3-6.7111.6P247 F248 I249 V250 D267 M269 L319P247-R327 WeakPolarHBondContact O-CD 3.44Å; P247-R327 VanDerWaalsContact O-CG 3.31Å; P247-R327 WeakPolarHBondContact O-CG 3.44Å; P247-R327 VanDerWaalsContact O-CZ 3.3Å; P247-R327 PolarHBondContact O-NE 3.41Å; F248-R327 CarbonylContact O-C 3.47Å; F248-R327 VanDerWaalsContact O-CA 3.32Å; F248-R327 WeakPolarHBondContact O-CA 3.38Å; I249-R327 WeakPolarHBondContact O-CD 3.36Å; I249-R327 PolarHBondContact O-NH1 3.5Å; V250-R327 HydrophobicContact CG2-CB 3.8Å; D267-R327 IonicContact OD2-NH1 2.82Å; D267-R327 PolarHBondContact OD2-NH1 3.45Å; M269-R327 HydrophobicContact CE-CB 3.76Å; M269-R327 HydrophobicContact CE-CG 3.57Å; M269-R327 HydrophobicContact SD-CB 4.23Å; M269-R327 VanDerWaalsContact SD-CD 3.57Å; M269-R327 HydrophobicContact SD-CG 3.92Å; L319-R327 PolarHBondContact N-O 3.36Å; L319-R327 PolarHBondContact O-N 3.38Å
328I98.3Very high94.7Very high1 Ų124.3 Ų24.31%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-71.8126.3169.1-54.6172.6000108.3F248 I249 V250 V296 L300 M303 Y310 L313 I318F248-I328 PolarHBondContact O-N 3.48Å; I249-I328 WeakPolarHBondContact CA-O 3.45Å; V250-I328 PolarHBondContact N-O 3.33Å; V296-I328 HydrophobicContact CG1-CD1 4.28Å; L300-I328 HydrophobicContact CD2-CD1 4Å; L300-I328 HydrophobicContact CG-CD1 4.11Å; M303-I328 HydrophobicContact CE-CB 4.11Å; M303-I328 HydrophobicContact CE-CD1 4.24Å; M303-I328 HydrophobicContact CE-CG2 3.84Å; Y310-I328 HydrophobicContact CD1-CG2 4.2Å; Y310-I328 HydrophobicContact CD2-CG2 4.04Å; Y310-I328 HydrophobicContact CE1-CG2 3.8Å; Y310-I328 HydrophobicContact CE2-CG2 3.63Å; Y310-I328 HydrophobicContact CG-CG2 4.33Å; L313-I328 HydrophobicContact CD1-CD1 4.43Å; I318-I328 HydrophobicContact CD1-CB 4.4Å; I318-I328 HydrophobicContact CD1-CG1 3.85Å
329S95.1Very high94.6Very high21 Ų2133.9 Ų33.915%0.14718%0.176CC..  trans-114.8176179.2-1720000111.7Y310 N317 L319Y310-S329 WeakPolarHBondContact CE2-O 3.45Å; Y310-S329 VanDerWaalsContact CZ-O 3.3Å; Y310-S329 PolarHBondContact OH-O 3.43Å; N317-S329 PolarHBondContact O-N 3.16Å; L319-S329 WeakPolarHBondContact CD1-OG 3.35Å
330D91.9Very high94.6Very high61 Ų6139.5 Ų39.533%0.32620%0.198SC..  trans53.382.7174.1-161.5-3000115.5K214 Y310 G332K214-D330 IonicContact NZ-OD1 3.84Å; Y310-D330 WeakPolarHBondContact CE2-O 3.33Å; Y310-D330 PolarHBondContact OH-O 3Å; D330-G332 VanDerWaalsContact C-N 3.29Å; D330-G332 PolarHBondContact O-N 2.84Å; D330-G332 PolarHBondContact OD1-N 3.29Å
331L94.1Very high94.7Very high1 Ų144 Ų441%0.00522%0.218CC..  trans-88.314.1177.6-71.8125.9000113.4M236 L237 V240 I249 M303 Y310 L333 A334M236-L331 HydrophobicContact CB-CB 3.97Å; M236-L331 HydrophobicContact CB-CD2 4.37Å; L237-L331 HydrophobicContact CD2-CD1 3.47Å; L237-L331 VanDerWaalsContact CD2-CD1 3.47Å; L237-L331 HydrophobicContact CG-CD1 4.07Å; V240-L331 HydrophobicContact CG1-CD2 4.08Å; V240-L331 HydrophobicContact CG2-CD1 3.99Å; V240-L331 HydrophobicContact CG2-CD2 4.46Å; I249-L331 HydrophobicContact CG2-CD1 4.22Å; M303-L331 HydrophobicContact CE-CD2 3.79Å; M303-L331 HydrophobicContact CE-CG 4.49Å; M303-L331 HydrophobicContact SD-CD2 3.92Å; Y310-L331 HydrophobicContact CD2-CD2 4.27Å; Y310-L331 HydrophobicContact CD2-CG 4.46Å; Y310-L331 HydrophobicContact CE2-CG 4.33Å; L331-L333 PolarHBondContact O-N 3.39Å; L331-L333 VanDerWaalsContact O-N 3.15Å; L331-A334 HydrophobicContact CB-CB 4.17Å; L331-A334 HydrophobicContact CD2-CB 3.91Å; L331-A334 WeakPolarHBondContact O-CB 3.5Å; L331-A334 PolarHBondContact O-N 2.88Å
332G90.4Very high94.9Very high6 Ų643.8 Ų43.86%0.06222%0.218CC..THydrogen-bonded Turntrans-59.3-30.3-175.700000113.9N232 D330N232-G332 PolarHBondContact ND2-O 3.27Å; D330-G332 VanDerWaalsContact C-N 3.29Å; D330-G332 PolarHBondContact O-N 2.84Å; D330-G332 PolarHBondContact OD1-N 3.29Å
333L94.2Very high95.3Very high44 Ų4446.2 Ų46.223%0.2323%0.229CC..THydrogen-bonded Turntrans-97.60176.6-59.7-175.3000113.9L229 R311 D312 L331 V346L229-L333 HydrophobicContact CD2-CD2 3.57Å; R311-L333 PolarHBondContact NE-O 2.91Å; R311-L333 PolarHBondContact NH2-O 2.55Å; D312-L333 HydrophobicContact CB-CB 4.31Å; D312-L333 HydrophobicContact CB-CD1 3.98Å; L331-L333 PolarHBondContact O-N 3.39Å; L331-L333 VanDerWaalsContact O-N 3.15Å; L333-V346 HydrophobicContact CB-CG1 4.06Å; L333-V346 HydrophobicContact CD1-CG1 4.09Å; L333-V346 HydrophobicContact CD2-CG1 3.78Å; L333-V346 HydrophobicContact CG-CG1 4.19Å
334A97.4Very high95.4Very high0 Ų045.5 Ų45.50%023%0.231CC..  trans-68.5160.9178.300000111.6N232 M236 I308 V309 Y310 L331N232-A334 PolarHBondContact ND2-O 2.82Å; M236-A334 HydrophobicContact CB-CB 4.19Å; M236-A334 HydrophobicContact CG-CB 3.82Å; M236-A334 HydrophobicContact SD-CB 4.1Å; I308-A334 HydrophobicContact CG2-CB 4.06Å; V309-A334 CarbonylContact O-C 3.53Å; V309-A334 WeakPolarHBondContact O-CA 3.37Å; V309-A334 WeakPolarHBondContact O-CB 3.04Å; Y310-A334 HydrophobicContact CD2-CB 4.49Å; Y310-A334 WeakPolarHBondContact O-CA 3.33Å; L331-A334 HydrophobicContact CB-CB 4.17Å; L331-A334 HydrophobicContact CD2-CB 3.91Å; L331-A334 WeakPolarHBondContact O-CB 3.5Å; L331-A334 PolarHBondContact O-N 2.88Å
335C97.3Very high95.4Very high26 Ų2648.6 Ų48.618%0.17625%0.253CS..EExtended strand (participates in β ladder)trans-145.4133.7-178.8-172.40000111.5I308 V309I308-C335 WeakPolarHBondContact CA-O 3.18Å; V309-C335 HydrophobicContact CG1-CB 3.91Å; V309-C335 WeakPolarHBondContact CG1-O 3.19Å; V309-C335 PolarHBondContact N-O 3.44Å; V309-C335 PolarHBondContact O-N 3.28Å
336D97Very high95.1Very high57 Ų5749.6 Ų49.631%0.30526%0.26SS..EExtended strand (participates in β ladder)trans-74.7124.2165.9175.23.1000109.6M236 L239 Y307 S338M236-D336 HydrophobicContact CE-CB 4.01Å; L239-D336 HydrophobicContact CD1-CB 4.36Å; Y307-D336 CarbonylContact O-C 3.35Å; Y307-D336 WeakPolarHBondContact O-CA 3.36Å; D336-S338 WeakPolarHBondContact OD1-CB 3.27Å; D336-S338 PolarHBondContact OD1-N 3.13Å; D336-S338 PolarHBondContact OD1-OG 2.85Å; D336-S338 PolarHBondContact OD2-OG 3.11Å
337F96.8Very high94.8Very high26 Ų2650.4 Ų50.411%0.11427%0.269CS..  trans-113.110.6178.366.3-97.9000113.7Y307 V309 K339 D364Y307-F337 HydrophobicContact CD1-CD2 4.36Å; Y307-F337 AromaticContact CD1-CE2 3.84Å; Y307-F337 HydrophobicContact CD1-CE2 3.84Å; Y307-F337 HydrophobicContact CD1-CZ 4.46Å; Y307-F337 HydrophobicContact CG-CE2 4.41Å; Y307-F337 WeakPolarHBondContact O-CD1 3.29Å; Y307-F337 VanDerWaalsContact O-CE1 3.31Å; Y307-F337 WeakPolarHBondContact O-CE1 3.4Å; Y307-F337 WeakPolarHBondContact O-CG 3.11Å; Y307-F337 PolarHBondContact O-N 3.38Å; V309-F337 HydrophobicContact CB-CD1 3.96Å; V309-F337 HydrophobicContact CB-CE1 4.07Å; V309-F337 HydrophobicContact CG1-CD1 4.04Å; F337-K339 VanDerWaalsContact C-N 3.26Å; F337-K339 PolarHBondContact O-N 3.48Å; F337-D364 HydrophobicContact CD2-CB 4.01Å; F337-D364 HydrophobicContact CE2-CB 3.98Å; F337-D364 HydrophobicContact CG-CB 4.35Å; F337-D364 HydrophobicContact CZ-CB 4.28Å
338S96.2Very high94.4Very high61 Ų6151.1 Ų51.143%0.42728%0.276SS..SBendtrans-58.3-34.7178.961.40000113.4D336D336-S338 WeakPolarHBondContact OD1-CB 3.27Å; D336-S338 PolarHBondContact OD1-N 3.13Å; D336-S338 PolarHBondContact OD1-OG 2.85Å; D336-S338 PolarHBondContact OD2-OG 3.11Å
339K95.5Very high93.9Very high201 Ų20153.8 Ų53.887%0.87429%0.289SS*.SBendtrans-103.9-41.2-179.7-64.1179.9-175.8174.50113.3F337F337-K339 VanDerWaalsContact C-N 3.26Å; F337-K339 PolarHBondContact O-N 3.48Å
340K95.3Very high93.6Very high154 Ų15452.9 Ų52.967%0.6728%0.283SS*.SBendtrans-146.1125-175.8-175.5177.3179.5179.50110.1
341K96.3Very high93.7Very high95 Ų9550.9 Ų50.941%0.41327%0.271SS..  trans-66.1134.5173.9-71.3-169.2-175.6-163.90111.4A362 Y363 D364K341-A362 HydrophobicContact CB-CB 3.87Å; K341-Y363 WeakPolarHBondContact CB-O 3.42Å; K341-D364 HydrophobicContact CD-CB 4.32Å; K341-D364 WeakPolarHBondContact CE-OD2 3.36Å; K341-D364 IonicContact NZ-OD2 3.89Å; K341-D364 PolarHBondContact NZ-OD2 3.36Å
342P95.4Very high93.7Very high13 Ų1351.2 Ų51.28%0.08427%0.272CS..  trans-66.4155.8170.829.1-36.9000111.4V309 A362 Y363V309-P342 HydrophobicContact CG1-CG 4.13Å; P342-A362 CarbonylContact O-C 3.36Å; P342-A362 VanDerWaalsContact O-CA 3.27Å; P342-A362 WeakPolarHBondContact O-CA 2.88Å; P342-Y363 HydrophobicContact CB-CE1 4.33Å; P342-Y363 HydrophobicContact CB-CE2 4.14Å; P342-Y363 VanDerWaalsContact CD-O 3.29Å; P342-Y363 WeakPolarHBondContact CD-O 3.33Å; P342-Y363 HydrophobicContact CG-CD2 3.91Å; P342-Y363 HydrophobicContact CG-CE1 4.39Å; P342-Y363 HydrophobicContact CG-CE2 3.51Å; P342-Y363 HydrophobicContact CG-CG 4.49Å; P342-Y363 WeakPolarHBondContact O-CD1 3.44Å; P342-Y363 PolarHBondContact O-N 2.95Å
343H95Very high93.9Very high95 Ų9550.9 Ų50.944%0.4427%0.269SS..  trans-139.33.5177.160.1-83000112.7V361H343-V361 WeakPolarHBondContact CA-O 3.34Å; H343-V361 WeakPolarHBondContact CB-O 3.27Å
344A92.3Very high93.9Very high47 Ų4749.4 Ų49.439%0.38826%0.262SS..SBendtrans-83.7140.3179.900000110V346 Y363A344-V346 HydrophobicContact CB-CG2 3.92Å; A344-V346 PolarHBondContact O-N 3Å; A344-V346 VanDerWaalsContact O-N 3.12Å; A344-Y363 WeakPolarHBondContact O-CE1 3.41Å; A344-Y363 PolarHBondContact O-OH 2.94Å
345S92.2Very high93.8Very high65 Ų6550.1 Ų50.146%0.45527%0.266SS..  trans-75.598.9173.6-166.20000109.5V356S345-V356 VanDerWaalsContact CA-O 3.26Å; S345-V356 WeakPolarHBondContact CA-O 3.31Å; S345-V356 VanDerWaalsContact CB-O 3.31Å; S345-V356 WeakPolarHBondContact CB-O 3.26Å; S345-V356 PolarHBondContact OG-O 3.3Å
346V91.4Very high93.7Very high36 Ų3649.1 Ų49.122%0.21826%0.259CS..  trans-136.1131.8-174.4178.60000108.4L333 A344L333-V346 HydrophobicContact CB-CG1 4.06Å; L333-V346 HydrophobicContact CD1-CG1 4.09Å; L333-V346 HydrophobicContact CD2-CG1 3.78Å; L333-V346 HydrophobicContact CG-CG1 4.19Å; A344-V346 HydrophobicContact CB-CG2 3.92Å; A344-V346 PolarHBondContact O-N 3Å; A344-V346 VanDerWaalsContact O-N 3.12Å
347G91.1Very high93.5Very high19 Ų1947.2 Ų47.220%0.19625%0.249CC..SBendtrans141.9177.5178.600000111.8R311R311-G347 VanDerWaalsContact O-CA 3.3Å; R311-G347 WeakPolarHBondContact O-CA 3.4Å
348T89.5Confident93.3Very high44 Ų4447.2 Ų47.227%0.2725%0.253SS..  trans-79.9125.7175.2-630000111.2D312 K314 G350 Y351 M352D312-T348 WeakPolarHBondContact OD1-CB 3.49Å; D312-T348 PolarHBondContact OD1-N 2.68Å; D312-T348 VanDerWaalsContact OD1-N 3.11Å; D312-T348 PolarHBondContact OD1-OG1 3.22Å; K314-T348 HydrophobicContact CD-CG2 4.15Å; K314-T348 WeakPolarHBondContact CD-OG1 2.96Å; K314-T348 PolarHBondContact NZ-OG1 2.78Å; T348-G350 PolarHBondContact O-N 2.9Å; T348-Y351 HydrophobicContact CG2-CD2 3.82Å; T348-Y351 HydrophobicContact CG2-CE2 3.97Å; T348-Y351 PolarHBondContact O-N 2.87Å; T348-Y351 VanDerWaalsContact O-N 3.1Å; T348-M352 PolarHBondContact O-N 2.9Å
349H88.6Confident92.7Very high57 Ų5754.1 Ų54.126%0.26428%0.275SS..THydrogen-bonded Turntrans-54.6136.5174.9-63.3-87000111.7M352 E398H349-M352 HydrophobicContact CB-CE 4.23Å; H349-M352 VanDerWaalsContact ND1-CE 3.26Å; H349-M352 WeakPolarHBondContact ND1-CE 3.47Å; H349-E398 IonicContact CE1-OE1 2.79Å; H349-E398 PolarHBondContact CE1-OE1 2.96Å; H349-E398 IonicContact ND1-OE1 3.76Å; H349-E398 PolarHBondContact ND1-OE1 3.3Å
350G88.4Confident92.4Very high2 Ų247.3 Ų47.32%0.02126%0.262CS..THydrogen-bonded Turntrans89.9-2.1-174.200000114.8T348 S384T348-G350 PolarHBondContact O-N 2.9Å; G350-S384 PolarHBondContact O-OG 2.86Å
351Y93.6Very high92.3Very high19 Ų1943 Ų438%0.07525%0.249CC..THydrogen-bonded Turntrans-125.3-21.2168.1-53.4-93000112.4L313 K314 T348 A353 S371 C374 K378L313-Y351 WeakPolarHBondContact O-CD1 3.35Å; K314-Y351 HydrophobicContact CB-CD1 4.27Å; K314-Y351 HydrophobicContact CB-CD2 4.16Å; K314-Y351 HydrophobicContact CB-CE1 4Å; K314-Y351 HydrophobicContact CB-CE2 3.86Å; K314-Y351 HydrophobicContact CB-CG 4.35Å; T348-Y351 HydrophobicContact CG2-CD2 3.82Å; T348-Y351 HydrophobicContact CG2-CE2 3.97Å; T348-Y351 PolarHBondContact O-N 2.87Å; T348-Y351 VanDerWaalsContact O-N 3.1Å; Y351-A353 PolarHBondContact O-N 3.15Å; Y351-S371 WeakPolarHBondContact O-CA 3.46Å; Y351-S371 PolarHBondContact O-OG 3.14Å; Y351-C374 HydrophobicContact CD1-CB 3.61Å; Y351-C374 HydrophobicContact CE1-CB 4.36Å; Y351-C374 HydrophobicContact CG-CB 4.29Å; Y351-K378 HydrophobicContact CE1-CD 4.45Å; Y351-K378 WeakPolarHBondContact OH-CD 3.02Å; Y351-K378 PolarHBondContact OH-NZ 2.73Å
352M94.3Very high92.4Very high8 Ų841.2 Ų41.24%0.03925%0.252CS..  trans-58.9136176.9-70.4-170.7-77.600112T348 H349 V356 L357 T401T348-M352 PolarHBondContact O-N 2.9Å; H349-M352 HydrophobicContact CB-CE 4.23Å; H349-M352 VanDerWaalsContact ND1-CE 3.26Å; H349-M352 WeakPolarHBondContact ND1-CE 3.47Å; M352-V356 HydrophobicContact CB-CG1 4.45Å; M352-V356 HydrophobicContact CG-CG1 4.4Å; M352-V356 HydrophobicContact SD-CG1 4.25Å; M352-L357 HydrophobicContact CB-CD2 4.04Å; M352-L357 HydrophobicContact CB-CG 4.12Å; M352-L357 HydrophobicContact CE-CD2 3.63Å; M352-L357 HydrophobicContact SD-CD2 3.97Å; M352-T401 WeakPolarHBondContact O-CG2 3.09Å
353A94.8Very high92.4Very high0 Ų040.8 Ų40.80%025%0.248CC..  trans-75.7157178.800000112.8Y351 E355 V356 L357 A367 F370Y351-A353 PolarHBondContact O-N 3.15Å; A353-E355 VanDerWaalsContact C-N 3.29Å; A353-E355 VanDerWaalsContact CB-CD 3.43Å; A353-E355 WeakPolarHBondContact CB-OE1 3.34Å; A353-E355 WeakPolarHBondContact CB-OE2 3.46Å; A353-E355 PolarHBondContact O-N 3.48Å; A353-V356 HydrophobicContact CB-CG2 4.08Å; A353-V356 WeakPolarHBondContact O-CB 3.49Å; A353-V356 PolarHBondContact O-N 2.87Å; A353-L357 PolarHBondContact O-N 2.89Å; A353-L357 VanDerWaalsContact O-N 3.11Å; A353-A367 HydrophobicContact CB-CB 4.43Å; A353-F370 VanDerWaalsContact CA-CD1 3.48Å; A353-F370 HydrophobicContact CB-CB 3.6Å; A353-F370 HydrophobicContact CB-CD1 3.9Å; A353-F370 HydrophobicContact CB-CD2 4.5Å; A353-F370 HydrophobicContact CB-CG 3.75Å
354P94.4Very high92.5Very high13 Ų1338 Ų388%0.08424%0.237CC..Hα-helixtrans-53.2-43177.6-25.532.9000113.6V356 L357 A358 F370 T401 F402 R426P354-V356 VanDerWaalsContact C-N 3.27Å; P354-V356 PolarHBondContact O-N 3.41Å; P354-L357 PolarHBondContact O-N 3.21Å; P354-A358 WeakPolarHBondContact O-CB 3.21Å; P354-A358 PolarHBondContact O-N 3.48Å; P354-F370 HydrophobicContact CG-CE2 4.17Å; P354-F370 HydrophobicContact CG-CZ 4.42Å; P354-T401 HydrophobicContact CG-CG2 3.99Å; P354-F402 HydrophobicContact CB-CD1 4.28Å; P354-F402 HydrophobicContact CB-CE1 4.37Å; P354-F402 WeakPolarHBondContact O-CE1 3.32Å; P354-R426 HydrophobicContact CG-CB 4.41Å; P354-R426 HydrophobicContact CG-CG 4.46Å
355E95.1Very high92.8Very high15 Ų1537 Ų377%0.0723%0.227CC..Hα-helixtrans-69.9-21.9179.370.9-78.1-178.500113.7A353 V361 A367 V428 R431A353-E355 VanDerWaalsContact C-N 3.29Å; A353-E355 VanDerWaalsContact CB-CD 3.43Å; A353-E355 WeakPolarHBondContact CB-OE1 3.34Å; A353-E355 WeakPolarHBondContact CB-OE2 3.46Å; A353-E355 PolarHBondContact O-N 3.48Å; E355-V361 HydrophobicContact CB-CG1 4.13Å; E355-A367 WeakPolarHBondContact OE1-CA 3.27Å; E355-A367 PolarHBondContact OE1-N 2.92Å; E355-V428 HydrophobicContact CB-CG2 4.35Å; E355-V428 HydrophobicContact CG-CG2 4.04Å; E355-R431 VanDerWaalsContact CD-NH1 3.31Å; E355-R431 IonicContact OE1-CZ 2.66Å; E355-R431 IonicContact OE1-NH1 3.69Å; E355-R431 PolarHBondContact OE1-NH1 3.43Å; E355-R431 IonicContact OE1-NH2 3.39Å; E355-R431 IonicContact OE2-CZ 3.42Å; E355-R431 IonicContact OE2-NH1 3.94Å; E355-R431 PolarHBondContact OE2-NH1 3.33Å; E355-R431 IonicContact OE2-NH2 3.95Å; E355-R431 PolarHBondContact OE2-NH2 3.01Å
356V95.5Very high93Very high5 Ų534 Ų343%0.0321%0.206CC..Hα-helixtrans-78.7-36.3173.2177.80000110.8S345 M352 A353 P354 Y363 A367S345-V356 VanDerWaalsContact CA-O 3.26Å; S345-V356 WeakPolarHBondContact CA-O 3.31Å; S345-V356 VanDerWaalsContact CB-O 3.31Å; S345-V356 WeakPolarHBondContact CB-O 3.26Å; S345-V356 PolarHBondContact OG-O 3.3Å; M352-V356 HydrophobicContact CB-CG1 4.45Å; M352-V356 HydrophobicContact CG-CG1 4.4Å; M352-V356 HydrophobicContact SD-CG1 4.25Å; A353-V356 HydrophobicContact CB-CG2 4.08Å; A353-V356 WeakPolarHBondContact O-CB 3.49Å; A353-V356 PolarHBondContact O-N 2.87Å; P354-V356 VanDerWaalsContact C-N 3.27Å; P354-V356 PolarHBondContact O-N 3.41Å; V356-Y363 HydrophobicContact CB-CD1 4.46Å; V356-Y363 HydrophobicContact CB-CE1 4.24Å; V356-Y363 HydrophobicContact CG1-CE1 4.15Å; V356-Y363 HydrophobicContact CG2-CD1 3.99Å; V356-Y363 HydrophobicContact CG2-CD2 3.93Å; V356-Y363 HydrophobicContact CG2-CE1 3.98Å; V356-Y363 HydrophobicContact CG2-CE2 3.92Å; V356-Y363 HydrophobicContact CG2-CG 3.98Å; V356-A367 HydrophobicContact CG2-CB 3.49Å; V356-A367 VanDerWaalsContact CG2-CB 3.49Å
357L92.9Very high93.3Very high17 Ų1732.4 Ų32.49%0.08920%0.197CC..Hα-helixtrans-75.6-28.4176.7-65.9174.9000112M352 A353 P354 K359 E398 T401 F402M352-L357 HydrophobicContact CB-CD2 4.04Å; M352-L357 HydrophobicContact CB-CG 4.12Å; M352-L357 HydrophobicContact CE-CD2 3.63Å; M352-L357 HydrophobicContact SD-CD2 3.97Å; A353-L357 PolarHBondContact O-N 2.89Å; A353-L357 VanDerWaalsContact O-N 3.11Å; P354-L357 PolarHBondContact O-N 3.21Å; L357-K359 PolarHBondContact O-N 3.45Å; L357-E398 HydrophobicContact CD1-CB 4.24Å; L357-E398 HydrophobicContact CD1-CG 4.41Å; L357-E398 HydrophobicContact CD2-CB 4.5Å; L357-E398 HydrophobicContact CD2-CG 3.89Å; L357-T401 HydrophobicContact CD1-CG2 3.76Å; L357-F402 HydrophobicContact CB-CE1 4.25Å; L357-F402 HydrophobicContact CB-CE2 3.75Å; L357-F402 HydrophobicContact CB-CZ 3.38Å; L357-F402 HydrophobicContact CD1-CE2 4.17Å; L357-F402 HydrophobicContact CD1-CZ 4.45Å
358A91.3Very high93.7Very high25 Ų2531.5 Ų31.521%0.20719%0.187CC..SBendtrans-69.2112.7179.700000111.4P354 G360 V361 F402P354-A358 WeakPolarHBondContact O-CB 3.21Å; P354-A358 PolarHBondContact O-N 3.48Å; A358-G360 PolarHBondContact O-N 2.79Å; A358-V361 HydrophobicContact CB-CB 3.92Å; A358-V361 HydrophobicContact CB-CG2 3.52Å; A358-V361 PolarHBondContact O-N 2.94Å; A358-F402 HydrophobicContact CB-CE1 4.36Å
359K83.8Confident94.1Very high206 Ų20629.4 Ų29.490%0.89618%0.175SC*.THydrogen-bonded Turntrans-57.6124.3-177.3-71-178.6179.9178.10111.8L357 V361L357-K359 PolarHBondContact O-N 3.45Å; K359-V361 PolarHBondContact O-N 2.79Å
360G89.1Confident94.5Very high58 Ų5826.7 Ų26.760%0.59816%0.162SC*.THydrogen-bonded Turntrans79.2-1.217500000114.6A358A358-G360 PolarHBondContact O-N 2.79Å
361V94.5Very high95Very high65 Ų6526.8 Ų26.839%0.39416%0.162SC..  trans-78.3124.8173.6179.50000108.5H343 E355 A358 K359H343-V361 WeakPolarHBondContact CA-O 3.34Å; H343-V361 WeakPolarHBondContact CB-O 3.27Å; E355-V361 HydrophobicContact CB-CG1 4.13Å; A358-V361 HydrophobicContact CB-CB 3.92Å; A358-V361 HydrophobicContact CB-CG2 3.52Å; A358-V361 PolarHBondContact O-N 2.94Å; K359-V361 PolarHBondContact O-N 2.79Å
362A96.6Very high95.2Very high57 Ų5725.9 Ų25.947%0.47116%0.158SC..  trans-81.4136.8176.400000110.1K341 P342K341-A362 HydrophobicContact CB-CB 3.87Å; P342-A362 CarbonylContact O-C 3.36Å; P342-A362 VanDerWaalsContact O-CA 3.27Å; P342-A362 WeakPolarHBondContact O-CA 2.88Å
363Y97Very high95.3Very high3 Ų325.5 Ų25.51%0.01216%0.157CC..  trans-132.8172.2-178.661.9-94.4000111.7R311 K341 P342 A344 V356 A367R311-Y363 WeakPolarHBondContact CD-OH 3.29Å; R311-Y363 HydrophobicContact CG-CE2 4.22Å; R311-Y363 PolarHBondContact NH1-OH 3.01Å; K341-Y363 WeakPolarHBondContact CB-O 3.42Å; P342-Y363 HydrophobicContact CB-CE1 4.33Å; P342-Y363 HydrophobicContact CB-CE2 4.14Å; P342-Y363 VanDerWaalsContact CD-O 3.29Å; P342-Y363 WeakPolarHBondContact CD-O 3.33Å; P342-Y363 HydrophobicContact CG-CD2 3.91Å; P342-Y363 HydrophobicContact CG-CE1 4.39Å; P342-Y363 HydrophobicContact CG-CE2 3.51Å; P342-Y363 HydrophobicContact CG-CG 4.49Å; P342-Y363 WeakPolarHBondContact O-CD1 3.44Å; P342-Y363 PolarHBondContact O-N 2.95Å; A344-Y363 WeakPolarHBondContact O-CE1 3.41Å; A344-Y363 PolarHBondContact O-OH 2.94Å; V356-Y363 HydrophobicContact CB-CD1 4.46Å; V356-Y363 HydrophobicContact CB-CE1 4.24Å; V356-Y363 HydrophobicContact CG1-CE1 4.15Å; V356-Y363 HydrophobicContact CG2-CD1 3.99Å; V356-Y363 HydrophobicContact CG2-CD2 3.93Å; V356-Y363 HydrophobicContact CG2-CE1 3.98Å; V356-Y363 HydrophobicContact CG2-CE2 3.92Å; V356-Y363 HydrophobicContact CG2-CG 3.98Å; Y363-A367 HydrophobicContact CD2-CB 3.95Å; Y363-A367 HydrophobicContact CE2-CB 4.33Å
364D96.9Very high95.4Very high37 Ų3725.5 Ų25.520%0.19816%0.157CC..  trans-140.3-147.5-178.652.526.2000109.8V309 F337 K341 S366 A367V309-D364 VanDerWaalsContact CG2-O 3.29Å; V309-D364 WeakPolarHBondContact CG2-O 3.43Å; F337-D364 HydrophobicContact CD2-CB 4.01Å; F337-D364 HydrophobicContact CE2-CB 3.98Å; F337-D364 HydrophobicContact CG-CB 4.35Å; F337-D364 HydrophobicContact CZ-CB 4.28Å; K341-D364 HydrophobicContact CD-CB 4.32Å; K341-D364 WeakPolarHBondContact CE-OD2 3.36Å; K341-D364 IonicContact NZ-OD2 3.89Å; K341-D364 PolarHBondContact NZ-OD2 3.36Å; D364-S366 PolarHBondContact O-N 2.99Å; D364-S366 WeakPolarHBondContact OD1-CB 3.31Å; D364-S366 PolarHBondContact OD1-N 3.43Å; D364-S366 VanDerWaalsContact OD1-N 3.1Å; D364-S366 PolarHBondContact OD1-OG 3.49Å; D364-A367 PolarHBondContact O-N 3.21Å
365S97.6Very high95.5Very high26 Ų2624.9 Ų24.918%0.18215%0.153CC..THydrogen-bonded Turntrans-55.8-17.4176.847.80000114.6H304 A367 D368H304-S365 WeakPolarHBondContact ND1-CB 3.15Å; S365-A367 PolarHBondContact O-N 3.38Å; S365-A367 VanDerWaalsContact O-N 3.16Å; S365-D368 PolarHBondContact O-N 2.92Å; S365-D368 VanDerWaalsContact O-N 3.07Å
366S97.6Very high95.6Very high3 Ų324.1 Ų24.12%0.02115%0.149CC..Hα-helixtrans-50.5-34.7173.644.80000114.3D364 D368 W369 R431D364-S366 PolarHBondContact O-N 2.99Å; D364-S366 WeakPolarHBondContact OD1-CB 3.31Å; D364-S366 PolarHBondContact OD1-N 3.43Å; D364-S366 VanDerWaalsContact OD1-N 3.1Å; D364-S366 PolarHBondContact OD1-OG 3.49Å; S366-D368 VanDerWaalsContact C-N 3.32Å; S366-D368 PolarHBondContact O-N 2.85Å; S366-W369 PolarHBondContact O-N 2.75Å; S366-R431 PolarHBondContact O-NH1 3.27Å
367A97.8Very high95.6Very high2 Ų224.6 Ų24.62%0.01715%0.15CC..Hα-helixtrans-64-35.9179.500000113V309 A353 E355 V356 Y363 D364 S365 S371V309-A367 HydrophobicContact CG2-CB 4.19Å; A353-A367 HydrophobicContact CB-CB 4.43Å; E355-A367 WeakPolarHBondContact OE1-CA 3.27Å; E355-A367 PolarHBondContact OE1-N 2.92Å; V356-A367 HydrophobicContact CG2-CB 3.49Å; V356-A367 VanDerWaalsContact CG2-CB 3.49Å; Y363-A367 HydrophobicContact CD2-CB 3.95Å; Y363-A367 HydrophobicContact CE2-CB 4.33Å; D364-A367 PolarHBondContact O-N 3.21Å; S365-A367 PolarHBondContact O-N 3.38Å; S365-A367 VanDerWaalsContact O-N 3.16Å; A367-S371 PolarHBondContact O-N 2.97Å; A367-S371 VanDerWaalsContact O-N 3.11Å; A367-S371 PolarHBondContact O-OG 3.17Å
368D98.5Very high95.7Very high0 Ų025.2 Ų25.20%015%0.152CC..Hα-helixtrans-72.4-34.2-177.4-67.5-27.4000111.4L300 H304 V309 Y310 R311 S365 S366 S371 F372L300-D368 HydrophobicContact CD1-CB 4.35Å; L300-D368 HydrophobicContact CD2-CB 3.98Å; H304-D368 IonicContact CD2-OD2 3.29Å; H304-D368 IonicContact CE1-OD2 2.68Å; H304-D368 IonicContact NE2-OD2 2.91Å; H304-D368 PolarHBondContact NE2-OD2 3.17Å; V309-D368 WeakPolarHBondContact CG2-OD2 2.96Å; Y310-D368 PolarHBondContact N-OD1 3.45Å; Y310-D368 PolarHBondContact N-OD2 3.44Å; R311-D368 PolarHBondContact N-OD1 2.92Å; S365-D368 PolarHBondContact O-N 2.92Å; S365-D368 VanDerWaalsContact O-N 3.07Å; S366-D368 VanDerWaalsContact C-N 3.32Å; S366-D368 PolarHBondContact O-N 2.85Å; D368-S371 PolarHBondContact O-N 3.44Å; D368-F372 VanDerWaalsContact O-CB 3.24Å; D368-F372 WeakPolarHBondContact O-CB 3.4Å; D368-F372 PolarHBondContact O-N 3.26Å
369W98.4Very high95.9Very high0 Ų024 Ų240%014%0.143CC..Hα-helixtrans-66.1-37.6176.7-64.2127000112.7I297 L300 H304 S366 F372 G373 G433 A439 L442I297-W369 HydrophobicContact CG1-CZ3 4.23Å; L300-W369 HydrophobicContact CB-CH2 4.26Å; L300-W369 HydrophobicContact CB-CZ3 4.48Å; L300-W369 HydrophobicContact CD1-CE3 4.16Å; L300-W369 HydrophobicContact CD1-CH2 4.42Å; L300-W369 HydrophobicContact CD1-CZ3 3.85Å; H304-W369 AromaticContact CE1-CE2 3.81Å; H304-W369 AromaticContact CE1-CZ2 3.84Å; H304-W369 AromaticContact CE1-NE1 3.94Å; H304-W369 AromaticContact ND1-CE2 3.86Å; H304-W369 AromaticContact ND1-CZ2 3.61Å; H304-W369 AromaticContact ND1-NE1 3.93Å; S366-W369 PolarHBondContact O-N 2.75Å; W369-F372 HydrophobicContact CE3-CD1 4.43Å; W369-F372 WeakPolarHBondContact O-CB 3.39Å; W369-F372 PolarHBondContact O-N 2.61Å; W369-G373 PolarHBondContact O-N 3.38Å; W369-G433 PolarHBondContact NE1-O 3.42Å; W369-G433 VanDerWaalsContact NE1-O 3.15Å; W369-A439 HydrophobicContact CH2-CB 3.86Å; W369-A439 HydrophobicContact CZ2-CB 4.01Å; W369-L442 HydrophobicContact CD2-CD1 3.99Å; W369-L442 HydrophobicContact CE3-CD1 3.83Å; W369-L442 HydrophobicContact CE3-CD2 3.65Å; W369-L442 HydrophobicContact CE3-CG 4.43Å; W369-L442 HydrophobicContact CH2-CD1 4.02Å; W369-L442 HydrophobicContact CZ2-CD1 4.14Å; W369-L442 HydrophobicContact CZ3-CD1 3.86Å; W369-L442 HydrophobicContact CZ3-CD2 3.68Å; W369-L442 HydrophobicContact CZ3-CG 4.38Å
370F97.6Very high96.4Very high0 Ų014.9 Ų14.90%010%0.104CC..Hα-helixtrans-67.2-44.2172.9-171-85000111.4A353 P354 F372 G373 C374 T401 L404 L424A353-F370 VanDerWaalsContact CA-CD1 3.48Å; A353-F370 HydrophobicContact CB-CB 3.6Å; A353-F370 HydrophobicContact CB-CD1 3.9Å; A353-F370 HydrophobicContact CB-CD2 4.5Å; A353-F370 HydrophobicContact CB-CG 3.75Å; P354-F370 HydrophobicContact CG-CE2 4.17Å; P354-F370 HydrophobicContact CG-CZ 4.42Å; F370-F372 PolarHBondContact O-N 2.75Å; F370-G373 PolarHBondContact O-N 3.49Å; F370-C374 WeakPolarHBondContact CE1-SG 3.26Å; F370-C374 PolarHBondContact O-N 3.23Å; F370-C374 PolarHBondContact O-SG 3.27Å; F370-T401 HydrophobicContact CE1-CG2 3.99Å; F370-T401 HydrophobicContact CZ-CG2 3.87Å; F370-L404 HydrophobicContact CE2-CD2 4.5Å; F370-L404 HydrophobicContact CZ-CD2 3.9Å; F370-L424 HydrophobicContact CD1-CD2 4.39Å; F370-L424 HydrophobicContact CD2-CD2 4.12Å; F370-L424 HydrophobicContact CE1-CD2 4.3Å; F370-L424 HydrophobicContact CE2-CD2 4.01Å; F370-L424 HydrophobicContact CG-CD2 4.31Å; F370-L424 HydrophobicContact CZ-CD2 4.1Å; F370-L424 WeakPolarHBondContact O-CD2 2.85Å
371S97.4Very high96.6Very high3 Ų316.8 Ų16.82%0.0219%0.093CC..Hα-helixtrans-60.8-37.4176.6-53.50000111.3Y351 A367 D368 C374 M375Y351-S371 WeakPolarHBondContact O-CA 3.46Å; Y351-S371 PolarHBondContact O-OG 3.14Å; A367-S371 PolarHBondContact O-N 2.97Å; A367-S371 VanDerWaalsContact O-N 3.11Å; A367-S371 PolarHBondContact O-OG 3.17Å; D368-S371 PolarHBondContact O-N 3.44Å; S371-C374 WeakPolarHBondContact O-CB 3.3Å; S371-C374 PolarHBondContact O-N 3Å; S371-M375 WeakPolarHBondContact O-CB 3.49Å; S371-M375 PolarHBondContact O-N 3.43Å
372F98.2Very high96.4Very high0 Ų015.5 Ų15.50%09%0.093CC..Hα-helixtrans-61.1-49.3174.1174-102.8000111A293 V296 I297 L300 L313 D368 W369 F370 C374 M375 L376 V423 L442A293-F372 HydrophobicContact CB-CE2 4.24Å; A293-F372 HydrophobicContact CB-CZ 3.91Å; V296-F372 HydrophobicContact CB-CE2 4.25Å; V296-F372 HydrophobicContact CG1-CD2 3.86Å; V296-F372 HydrophobicContact CG1-CE2 4.05Å; I297-F372 HydrophobicContact CD1-CE1 4.27Å; I297-F372 HydrophobicContact CD1-CE2 4.47Å; I297-F372 HydrophobicContact CD1-CZ 3.69Å; I297-F372 HydrophobicContact CG1-CE1 4.25Å; I297-F372 HydrophobicContact CG1-CE2 3.92Å; I297-F372 HydrophobicContact CG1-CZ 3.58Å; L300-F372 HydrophobicContact CD1-CB 4.32Å; L300-F372 HydrophobicContact CD1-CD2 4.38Å; L313-F372 HydrophobicContact CD2-CB 3.72Å; L313-F372 HydrophobicContact CD2-CD2 4.25Å; D368-F372 VanDerWaalsContact O-CB 3.24Å; D368-F372 WeakPolarHBondContact O-CB 3.4Å; D368-F372 PolarHBondContact O-N 3.26Å; W369-F372 HydrophobicContact CE3-CD1 4.43Å; W369-F372 WeakPolarHBondContact O-CB 3.39Å; W369-F372 PolarHBondContact O-N 2.61Å; F370-F372 PolarHBondContact O-N 2.75Å; F372-C374 VanDerWaalsContact C-N 3.31Å; F372-C374 PolarHBondContact O-N 2.93Å; F372-M375 HydrophobicContact CD2-CE 4.11Å; F372-M375 HydrophobicContact CE2-CE 4.41Å; F372-M375 WeakPolarHBondContact O-CB 3.45Å; F372-M375 PolarHBondContact O-N 3.09Å; F372-M375 VanDerWaalsContact O-N 3.13Å; F372-L376 HydrophobicContact CD1-CD1 4.09Å; F372-L376 HydrophobicContact CD1-CG 4.31Å; F372-L376 HydrophobicContact CD2-CD2 4.36Å; F372-L376 HydrophobicContact CD2-CG 4.41Å; F372-L376 HydrophobicContact CE1-CD1 3.46Å; F372-L376 VanDerWaalsContact CE1-CD1 3.46Å; F372-L376 HydrophobicContact CE1-CG 4.05Å; F372-L376 HydrophobicContact CE2-CD1 4.23Å; F372-L376 HydrophobicContact CE2-CD2 3.88Å; F372-L376 HydrophobicContact CE2-CG 4.16Å; F372-L376 HydrophobicContact CG-CG 4.5Å; F372-L376 HydrophobicContact CZ-CD1 3.55Å; F372-L376 HydrophobicContact CZ-CD2 4.02Å; F372-L376 HydrophobicContact CZ-CG 3.98Å; F372-L376 WeakPolarHBondContact O-CG 3.33Å; F372-L376 PolarHBondContact O-N 3.44Å; F372-V423 HydrophobicContact CD1-CG1 4.44Å; F372-L442 HydrophobicContact CD1-CD2 4.04Å; F372-L442 HydrophobicContact CE1-CD2 3.68Å
373G97Very high96Very high0 Ų015.7 Ų15.70%08%0.084CC..Hα-helixtrans-54.7-44.4172.600000113.6W369 F370 M375 L376 Y377W369-G373 PolarHBondContact O-N 3.38Å; F370-G373 PolarHBondContact O-N 3.49Å; G373-M375 VanDerWaalsContact C-N 3.33Å; G373-M375 PolarHBondContact O-N 3.23Å; G373-L376 PolarHBondContact O-N 3.36Å; G373-Y377 WeakPolarHBondContact O-CB 3.42Å; G373-Y377 PolarHBondContact O-N 3.29Å
374C95.9Very high95.4Very high0 Ų016 Ų160%09%0.086CC..Hα-helixtrans-63.8-40177.8-69.50000111.9Y351 F370 S371 F372 K378 P385Y351-C374 HydrophobicContact CD1-CB 3.61Å; Y351-C374 HydrophobicContact CE1-CB 4.36Å; Y351-C374 HydrophobicContact CG-CB 4.29Å; F370-C374 WeakPolarHBondContact CE1-SG 3.26Å; F370-C374 PolarHBondContact O-N 3.23Å; F370-C374 PolarHBondContact O-SG 3.27Å; S371-C374 WeakPolarHBondContact O-CB 3.3Å; S371-C374 PolarHBondContact O-N 3Å; F372-C374 VanDerWaalsContact C-N 3.31Å; F372-C374 PolarHBondContact O-N 2.93Å; C374-K378 WeakPolarHBondContact O-CB 3.47Å; C374-K378 PolarHBondContact O-N 3.12Å; C374-K378 VanDerWaalsContact O-N 3.09Å; C374-P385 HydrophobicContact CB-CG 4.25Å
375M97Very high94.8Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-64.8-49.7176-175.9-17176.800111.4V296 L313 P315 I318 S371 F372 G373 Y377 K378 L379V296-M375 HydrophobicContact CB-CE 4.37Å; V296-M375 HydrophobicContact CG1-CE 4.06Å; V296-M375 HydrophobicContact CG2-CE 4.14Å; L313-M375 HydrophobicContact CD1-SD 4.43Å; L313-M375 HydrophobicContact CG-SD 4.06Å; P315-M375 HydrophobicContact CG-CG 3.93Å; I318-M375 HydrophobicContact CD1-SD 4.3Å; I318-M375 HydrophobicContact CG1-SD 3.74Å; S371-M375 WeakPolarHBondContact O-CB 3.49Å; S371-M375 PolarHBondContact O-N 3.43Å; F372-M375 HydrophobicContact CD2-CE 4.11Å; F372-M375 HydrophobicContact CE2-CE 4.41Å; F372-M375 WeakPolarHBondContact O-CB 3.45Å; F372-M375 PolarHBondContact O-N 3.09Å; F372-M375 VanDerWaalsContact O-N 3.13Å; G373-M375 VanDerWaalsContact C-N 3.33Å; G373-M375 PolarHBondContact O-N 3.23Å; M375-Y377 PolarHBondContact O-N 2.74Å; M375-K378 WeakPolarHBondContact O-CB 3.42Å; M375-K378 PolarHBondContact O-N 2.8Å; M375-K378 VanDerWaalsContact O-N 3.12Å; M375-L379 WeakPolarHBondContact O-CG 3.33Å; M375-L379 PolarHBondContact O-N 2.79Å
376L97.2Very high93.6Very high0 Ų013.4 Ų13.40%07%0.071CC..Hα-helixtrans-59.6-46.3179.2-63.7-164.2000111.5M289 A293 F372 G373 K378 L379 L380 L419 I420M289-L376 HydrophobicContact CE-CD1 4.36Å; M289-L376 HydrophobicContact CG-CD2 4.18Å; M289-L376 HydrophobicContact SD-CB 4.22Å; M289-L376 HydrophobicContact SD-CD1 3.82Å; M289-L376 HydrophobicContact SD-CD2 3.71Å; M289-L376 HydrophobicContact SD-CG 4.11Å; A293-L376 HydrophobicContact CB-CD1 4.21Å; A293-L376 HydrophobicContact CB-CD2 3.78Å; F372-L376 HydrophobicContact CD1-CD1 4.09Å; F372-L376 HydrophobicContact CD1-CG 4.31Å; F372-L376 HydrophobicContact CD2-CD2 4.36Å; F372-L376 HydrophobicContact CD2-CG 4.41Å; F372-L376 HydrophobicContact CE1-CD1 3.46Å; F372-L376 VanDerWaalsContact CE1-CD1 3.46Å; F372-L376 HydrophobicContact CE1-CG 4.05Å; F372-L376 HydrophobicContact CE2-CD1 4.23Å; F372-L376 HydrophobicContact CE2-CD2 3.88Å; F372-L376 HydrophobicContact CE2-CG 4.16Å; F372-L376 HydrophobicContact CG-CG 4.5Å; F372-L376 HydrophobicContact CZ-CD1 3.55Å; F372-L376 HydrophobicContact CZ-CD2 4.02Å; F372-L376 HydrophobicContact CZ-CG 3.98Å; F372-L376 WeakPolarHBondContact O-CG 3.33Å; F372-L376 PolarHBondContact O-N 3.44Å; G373-L376 PolarHBondContact O-N 3.36Å; L376-K378 VanDerWaalsContact C-N 3.25Å; L376-K378 PolarHBondContact O-N 2.64Å; L376-L379 PolarHBondContact O-N 3.34Å; L376-L379 VanDerWaalsContact O-N 3.11Å; L376-L380 WeakPolarHBondContact O-CG 3.42Å; L376-L380 PolarHBondContact O-N 3.39Å; L376-L380 VanDerWaalsContact O-N 3.08Å; L376-L419 HydrophobicContact CD1-CD2 3.8Å; L376-L419 HydrophobicContact CD1-CG 4.36Å; L376-I420 HydrophobicContact CB-CD1 3.67Å; L376-I420 HydrophobicContact CD1-CD1 4.34Å
377Y95.3Very high92.1Very high14 Ų1417.5 Ų17.56%0.0559%0.088CC..Hα-helixtrans-57.8-41.5176.2-173-79.2000111.2G373 M375 L380 R381 H383 P385 F412 I420G373-Y377 WeakPolarHBondContact O-CB 3.42Å; G373-Y377 PolarHBondContact O-N 3.29Å; M375-Y377 PolarHBondContact O-N 2.74Å; Y377-L380 PolarHBondContact O-N 2.79Å; Y377-R381 HydrophobicContact CD1-CB 4.13Å; Y377-R381 HydrophobicContact CD1-CG 4.1Å; Y377-R381 HydrophobicContact CE1-CB 3.79Å; Y377-R381 HydrophobicContact CE1-CG 3.71Å; Y377-R381 HydrophobicContact CE2-CG 4.28Å; Y377-R381 WeakPolarHBondContact O-CB 3.43Å; Y377-R381 PolarHBondContact O-N 3.19Å; Y377-H383 WeakPolarHBondContact CD1-O 3.24Å; Y377-H383 AromaticContact CE1-CE1 3.64Å; Y377-H383 AromaticContact CE1-ND1 3.92Å; Y377-P385 HydrophobicContact CD1-CB 3.96Å; Y377-P385 HydrophobicContact CD1-CG 4.3Å; Y377-P385 HydrophobicContact CD2-CB 4.38Å; Y377-P385 HydrophobicContact CE1-CB 4.17Å; Y377-P385 HydrophobicContact CG-CB 4.08Å; Y377-P385 HydrophobicContact CG-CG 4.29Å; Y377-F412 HydrophobicContact CD2-CE2 4.35Å; Y377-F412 HydrophobicContact CE2-CE2 4.25Å; Y377-I420 HydrophobicContact CD2-CG2 4.05Å
378K94.9Very high90.1Very high30 Ų3023.5 Ų23.513%0.1312%0.116CC..Hα-helixtrans-65-38.5176.1-179173.7174.6-173.70112.9L278 P315 Y351 C374 M375 L376 L380 G382 H383L278-K378 HydrophobicContact CD2-CD 4.41Å; L278-K378 HydrophobicContact CD2-CG 3.89Å; P315-K378 HydrophobicContact CG-CD 4.04Å; P315-K378 HydrophobicContact CG-CG 4.47Å; Y351-K378 HydrophobicContact CE1-CD 4.45Å; Y351-K378 WeakPolarHBondContact OH-CD 3.02Å; Y351-K378 PolarHBondContact OH-NZ 2.73Å; C374-K378 WeakPolarHBondContact O-CB 3.47Å; C374-K378 PolarHBondContact O-N 3.12Å; C374-K378 VanDerWaalsContact O-N 3.09Å; M375-K378 WeakPolarHBondContact O-CB 3.42Å; M375-K378 PolarHBondContact O-N 2.8Å; M375-K378 VanDerWaalsContact O-N 3.12Å; L376-K378 VanDerWaalsContact C-N 3.25Å; L376-K378 PolarHBondContact O-N 2.64Å; K378-L380 VanDerWaalsContact C-N 3.28Å; K378-L380 PolarHBondContact O-N 2.84Å; K378-G382 WeakPolarHBondContact O-CA 3.44Å; K378-G382 PolarHBondContact O-N 3.37Å; K378-H383 VanDerWaalsContact CA-O 3.28Å; K378-H383 WeakPolarHBondContact CA-O 3.49Å
379L95.8Very high87.9Confident0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-63.3-36.7175.6-66.2174.7000111.5L274 L278 V283 F284 M289 P315 M375 L376L274-L379 HydrophobicContact CB-CD2 4.48Å; L274-L379 HydrophobicContact CD1-CD1 4.32Å; L274-L379 HydrophobicContact CD1-CD2 4.41Å; L278-L379 HydrophobicContact CD2-CD2 4.47Å; V283-L379 WeakPolarHBondContact CA-O 3.48Å; F284-L379 HydrophobicContact CD2-CB 4.04Å; F284-L379 HydrophobicContact CD2-CD2 3.81Å; F284-L379 HydrophobicContact CD2-CG 4.44Å; F284-L379 HydrophobicContact CE2-CD2 3.8Å; F284-L379 PolarHBondContact N-O 3.22Å; M289-L379 HydrophobicContact CG-CB 4.37Å; M289-L379 HydrophobicContact CG-CD1 4.43Å; P315-L379 HydrophobicContact CB-CD2 4.44Å; P315-L379 HydrophobicContact CG-CD2 4.29Å; M375-L379 WeakPolarHBondContact O-CG 3.33Å; M375-L379 PolarHBondContact O-N 2.79Å; L376-L379 PolarHBondContact O-N 3.34Å; L376-L379 VanDerWaalsContact O-N 3.11Å
380L95.3Very high85.6Confident15 Ų1542.1 Ų42.18%0.07920%0.199CC..Hα-helixtrans-80.3-30.7179.4-66.3173.1000114.3F284 E286 M289 L376 Y377 K378 F412 C416F284-L380 WeakPolarHBondContact O-CD2 3.47Å; E286-L380 HydrophobicContact CG-CD2 4.17Å; M289-L380 HydrophobicContact CB-CD2 3.98Å; M289-L380 HydrophobicContact CE-CD1 3.82Å; M289-L380 HydrophobicContact CE-CD2 4.23Å; M289-L380 HydrophobicContact CE-CG 4.23Å; M289-L380 HydrophobicContact CG-CD2 4.22Å; M289-L380 HydrophobicContact CG-CG 4.26Å; L376-L380 WeakPolarHBondContact O-CG 3.42Å; L376-L380 PolarHBondContact O-N 3.39Å; L376-L380 VanDerWaalsContact O-N 3.08Å; Y377-L380 PolarHBondContact O-N 2.79Å; K378-L380 VanDerWaalsContact C-N 3.28Å; K378-L380 PolarHBondContact O-N 2.84Å; L380-F412 HydrophobicContact CB-CE1 3.91Å; L380-F412 HydrophobicContact CB-CZ 3.96Å; L380-F412 HydrophobicContact CD1-CD1 4.45Å; L380-F412 HydrophobicContact CD1-CE1 3.97Å; L380-F412 HydrophobicContact CD1-CE2 4.41Å; L380-F412 HydrophobicContact CD1-CZ 3.93Å; L380-F412 HydrophobicContact CG-CE1 4.48Å; L380-C416 VanDerWaalsContact CD1-SG 3.59Å
381R92.8Very high83.4Confident97 Ų9745.1 Ų45.137%0.36622%0.218SC..Hα-helixtrans-118.1-10-170.7-60.8-66.7-67.6-129.3-3.5114.7Y377 H383 C411 F412Y377-R381 HydrophobicContact CD1-CB 4.13Å; Y377-R381 HydrophobicContact CD1-CG 4.1Å; Y377-R381 HydrophobicContact CE1-CB 3.79Å; Y377-R381 HydrophobicContact CE1-CG 3.71Å; Y377-R381 HydrophobicContact CE2-CG 4.28Å; Y377-R381 WeakPolarHBondContact O-CB 3.43Å; Y377-R381 PolarHBondContact O-N 3.19Å; R381-H383 PolarHBondContact O-CD2 3.49Å; R381-H383 VanDerWaalsContact O-CD2 3.31Å; R381-H383 PolarHBondContact O-N 2.94Å; R381-C411 PolarHBondContact NH1-SG 2.92Å; R381-F412 HydrophobicContact CG-CE1 4.31Å; R381-F412 HydrophobicContact CG-CZ 3.66Å
382G91Very high81.4Confident38 Ų3854.8 Ų54.839%0.39226%0.259SS..SBendtrans79.3-7.7-177.200000114.6K378K378-G382 WeakPolarHBondContact O-CA 3.44Å; K378-G382 PolarHBondContact O-N 3.37Å
383H88.2Confident79.8Confident62 Ų6259.1 Ų59.129%0.28728%0.283SS..SBendtrans-136.7157.4179.665.282.6000112Y377 K378 R381Y377-H383 WeakPolarHBondContact CD1-O 3.24Å; Y377-H383 AromaticContact CE1-CE1 3.64Å; Y377-H383 AromaticContact CE1-ND1 3.92Å; K378-H383 VanDerWaalsContact CA-O 3.28Å; K378-H383 WeakPolarHBondContact CA-O 3.49Å; R381-H383 PolarHBondContact O-CD2 3.49Å; R381-H383 VanDerWaalsContact O-CD2 3.31Å; R381-H383 PolarHBondContact O-N 2.94Å
384S84.4Confident78.3Confident8 Ų865.7 Ų65.76%0.05631%0.311CS..  trans-67.2148.2173.3158.90000110.2G350 C386 K387G350-S384 PolarHBondContact O-OG 2.86Å; S384-C386 PolarHBondContact O-N 3.1Å; S384-C386 PolarHBondContact OG-N 2.56Å; S384-K387 PolarHBondContact O-N 3.42Å
385P84.2Confident76.9Confident3 Ų369 Ų692%0.01933%0.332CS..THydrogen-bonded Turntrans-58.6-28.8174.822.3-32000112.5C374 Y377 K387 L404 I406 L424C374-P385 HydrophobicContact CB-CG 4.25Å; Y377-P385 HydrophobicContact CD1-CB 3.96Å; Y377-P385 HydrophobicContact CD1-CG 4.3Å; Y377-P385 HydrophobicContact CD2-CB 4.38Å; Y377-P385 HydrophobicContact CE1-CB 4.17Å; Y377-P385 HydrophobicContact CG-CB 4.08Å; Y377-P385 HydrophobicContact CG-CG 4.29Å; P385-K387 VanDerWaalsContact C-N 3.31Å; P385-K387 PolarHBondContact O-N 3.11Å; P385-L404 HydrophobicContact CB-CD1 4.26Å; P385-L404 HydrophobicContact CB-CD2 4.37Å; P385-I406 HydrophobicContact CB-CD1 3.57Å; P385-L424 HydrophobicContact CB-CD1 4.42Å; P385-L424 HydrophobicContact CG-CD1 4.13Å
386C71.8Confident75.4Confident6 Ų672.1 Ų72.14%0.04135%0.348CS..THydrogen-bonded Turntrans-83.8-1.2179.2-57.80000113.9S384 T400 T401S384-C386 PolarHBondContact O-N 3.1Å; S384-C386 PolarHBondContact OG-N 2.56Å; C386-T400 HydrophobicContact CB-CG2 4.11Å; C386-T401 PolarHBondContact SG-OG1 3.36Å
387K65.4Low73.9Confident90 Ų9072.4 Ų72.439%0.39135%0.35SS..  trans-124.850-176.4-69.5-166.6175.6-173.30112.3S384 P385 Q389S384-K387 PolarHBondContact O-N 3.42Å; P385-K387 VanDerWaalsContact C-N 3.31Å; P385-K387 PolarHBondContact O-N 3.11Å; K387-Q389 PolarHBondContact O-N 3.31Å
388Q57.2Low72.9Confident128 Ų12874.8 Ų74.860%0.59836%0.362SS*.  trans-70111.7167.3-65.5-176.21.600108.1
389Q51.3Low71.8Confident172 Ų17279.2 Ų79.280%0.80438%0.381SS*.SBendtrans81.1151.2-174.5-53.5177.89.700115.3K387 V391K387-Q389 PolarHBondContact O-N 3.31Å; Q389-V391 PolarHBondContact O-N 3.21Å
390K49.7Very low70.8Confident218 Ų21881.4 Ų81.495%0.94840%0.395SS*.SBendtrans-62.751.7-170.9-69.5177.6174.5174.70114.4K392K390-K392 PolarHBondContact O-N 3.01Å
391V52Low69.9Low64 Ų6480.8 Ų80.839%0.38839%0.392SS..  trans-86.9111.7177.3-173.90000107.7Q389 D393 D396Q389-V391 PolarHBondContact O-N 3.21Å; V391-D393 VanDerWaalsContact C-N 3.33Å; V391-D393 HydrophobicContact CG1-CB 4.47Å; V391-D396 HydrophobicContact CG1-CB 4.01Å
392K56.2Low69Low206 Ų20680.4 Ų80.490%0.89639%0.392SS*.  trans-82.8-10180-80.7-176.1174.4-179.10113.1K390K390-K392 PolarHBondContact O-N 3.01Å
393D64Low68.4Low91 Ų9184.3 Ų84.349%0.48740%0.403SS..  trans-82.6136.5-169-143.9-20.6000113.3V391V391-D393 VanDerWaalsContact C-N 3.33Å; V391-D393 HydrophobicContact CG1-CB 4.47Å
394K65.7Low67.8Low137 Ų13782.1 Ų82.160%0.59639%0.393SS*.Hα-helixtrans-70.4-40.7-175.2-68.7-177.7-179.5-178.70111.4D396 S397 E398K394-D396 VanDerWaalsContact C-N 3.25Å; K394-D396 PolarHBondContact O-N 3.15Å; K394-S397 PolarHBondContact O-N 3.1Å; K394-E398 PolarHBondContact O-N 3.46Å
395T64.9Low67.3Low71 Ų7188.5 Ų88.544%0.43642%0.422SS..Hα-helixtrans-64.2-33-175.7-10.80000111.8K399T395-K399 WeakPolarHBondContact O-CG 3.23Å; T395-K399 PolarHBondContact O-N 3.08Å
396D67Low67Low65 Ų6590.3 Ų90.335%0.34843%0.431SS..Hα-helixtrans-75.1-33.3179.2-71.2-16.8000112V391 K394 E398 K399 T400V391-D396 HydrophobicContact CG1-CB 4.01Å; K394-D396 VanDerWaalsContact C-N 3.25Å; K394-D396 PolarHBondContact O-N 3.15Å; D396-E398 VanDerWaalsContact C-N 3.32Å; D396-E398 PolarHBondContact O-N 2.7Å; D396-K399 PolarHBondContact O-N 2.88Å; D396-K399 IonicContact OD1-NZ 2.94Å; D396-T400 WeakPolarHBondContact O-CB 3.17Å; D396-T400 PolarHBondContact O-N 3.4Å; D396-T400 PolarHBondContact O-OG1 3.05Å
397S64.4Low67.4Low6 Ų698.1 Ų98.14%0.04247%0.467CS..Hα-helixtrans-62.1-42174.8-60.60000111.3K394 T400 T401K394-S397 PolarHBondContact O-N 3.1Å; S397-T400 PolarHBondContact O-N 2.94Å; S397-T401 PolarHBondContact O-N 3.48Å; S397-T401 VanDerWaalsContact O-N 3.12Å; S397-T401 PolarHBondContact O-OG1 3.27Å; S397-T401 VanDerWaalsContact O-OG1 3.06Å
398E74.5Confident68.1Low63 Ų6398.5 Ų98.529%0.29448%0.479SS..Hα-helixtrans-65.2-48178.3-63.9177.117600111.9H349 L357 K394 D396 T400 T401 F402H349-E398 IonicContact CE1-OE1 2.79Å; H349-E398 PolarHBondContact CE1-OE1 2.96Å; H349-E398 IonicContact ND1-OE1 3.76Å; H349-E398 PolarHBondContact ND1-OE1 3.3Å; L357-E398 HydrophobicContact CD1-CB 4.24Å; L357-E398 HydrophobicContact CD1-CG 4.41Å; L357-E398 HydrophobicContact CD2-CB 4.5Å; L357-E398 HydrophobicContact CD2-CG 3.89Å; K394-E398 PolarHBondContact O-N 3.46Å; D396-E398 VanDerWaalsContact C-N 3.32Å; D396-E398 PolarHBondContact O-N 2.7Å; E398-T400 VanDerWaalsContact C-N 3.3Å; E398-T400 PolarHBondContact O-N 3.06Å; E398-T401 WeakPolarHBondContact O-CB 3.24Å; E398-T401 PolarHBondContact O-N 2.98Å; E398-F402 WeakPolarHBondContact O-CD2 3.31Å; E398-F402 PolarHBondContact O-N 3.49Å
399K72.6Confident69.5Low123 Ų12393.2 Ų93.254%0.53546%0.457SS..Hα-helixtrans-58.2-45.4176.9-71.4173.4-172.6167.90111.1T395 D396 T401 F402 I403T395-K399 WeakPolarHBondContact O-CG 3.23Å; T395-K399 PolarHBondContact O-N 3.08Å; D396-K399 PolarHBondContact O-N 2.88Å; D396-K399 IonicContact OD1-NZ 2.94Å; K399-T401 VanDerWaalsContact C-N 3.28Å; K399-T401 PolarHBondContact O-N 2.85Å; K399-F402 PolarHBondContact O-N 3Å; K399-F402 VanDerWaalsContact O-N 3.16Å; K399-I403 WeakPolarHBondContact O-CG1 3.48Å; K399-I403 PolarHBondContact O-N 3.22Å
400T73.6Confident71.1Confident47 Ų4793.3 Ų93.329%0.28846%0.464SS..Hα-helixtrans-59-39.6178.2-59.30000111.4C386 D396 S397 E398 F402 I403 L404C386-T400 HydrophobicContact CB-CG2 4.11Å; D396-T400 WeakPolarHBondContact O-CB 3.17Å; D396-T400 PolarHBondContact O-N 3.4Å; D396-T400 PolarHBondContact O-OG1 3.05Å; S397-T400 PolarHBondContact O-N 2.94Å; E398-T400 VanDerWaalsContact C-N 3.3Å; E398-T400 PolarHBondContact O-N 3.06Å; T400-F402 VanDerWaalsContact C-N 3.35Å; T400-F402 PolarHBondContact O-N 3.2Å; T400-I403 CarbonylContact O-C 3.56Å; T400-I403 PolarHBondContact O-N 2.89Å; T400-L404 HydrophobicContact CG2-CD1 4.45Å; T400-L404 WeakPolarHBondContact O-CA 3.35Å; T400-L404 WeakPolarHBondContact O-CB 3.19Å; T400-L404 PolarHBondContact O-N 3.34Å
401T76.5Confident73Confident2 Ų287 Ų871%0.01245%0.445CS..Hα-helixtrans-60.4-40176.4-58.40000112.9M352 P354 L357 F370 C386 S397 E398 K399 I403 L404M352-T401 WeakPolarHBondContact O-CG2 3.09Å; P354-T401 HydrophobicContact CG-CG2 3.99Å; L357-T401 HydrophobicContact CD1-CG2 3.76Å; F370-T401 HydrophobicContact CE1-CG2 3.99Å; F370-T401 HydrophobicContact CZ-CG2 3.87Å; C386-T401 PolarHBondContact SG-OG1 3.36Å; S397-T401 PolarHBondContact O-N 3.48Å; S397-T401 VanDerWaalsContact O-N 3.12Å; S397-T401 PolarHBondContact O-OG1 3.27Å; S397-T401 VanDerWaalsContact O-OG1 3.06Å; E398-T401 WeakPolarHBondContact O-CB 3.24Å; E398-T401 PolarHBondContact O-N 2.98Å; K399-T401 VanDerWaalsContact C-N 3.28Å; K399-T401 PolarHBondContact O-N 2.85Å; T401-I403 VanDerWaalsContact C-N 3.33Å; T401-I403 PolarHBondContact O-N 2.84Å; T401-L404 WeakPolarHBondContact O-CB 3.46Å; T401-L404 PolarHBondContact O-N 3.28Å
402F74.5Confident75Confident88 Ų8884.8 Ų84.839%0.38643%0.431SS..Hα-helixtrans-69.8-28.2178.7-71.4-70.7000113.7P354 L357 A358 E398 K399 T400 R426P354-F402 HydrophobicContact CB-CD1 4.28Å; P354-F402 HydrophobicContact CB-CE1 4.37Å; P354-F402 WeakPolarHBondContact O-CE1 3.32Å; L357-F402 HydrophobicContact CB-CE1 4.25Å; L357-F402 HydrophobicContact CB-CE2 3.75Å; L357-F402 HydrophobicContact CB-CZ 3.38Å; L357-F402 HydrophobicContact CD1-CE2 4.17Å; L357-F402 HydrophobicContact CD1-CZ 4.45Å; A358-F402 HydrophobicContact CB-CE1 4.36Å; E398-F402 WeakPolarHBondContact O-CD2 3.31Å; E398-F402 PolarHBondContact O-N 3.49Å; K399-F402 PolarHBondContact O-N 3Å; K399-F402 VanDerWaalsContact O-N 3.16Å; T400-F402 VanDerWaalsContact C-N 3.35Å; T400-F402 PolarHBondContact O-N 3.2Å; F402-R426 WeakPolarHBondContact O-CD 3.3Å; F402-R426 PolarHBondContact O-NH1 2.91Å
403I77.6Confident76.9Confident120 Ų12076.6 Ų76.662%0.61540%0.4SS*.THydrogen-bonded Turntrans-104.79.3179.168178.7000112.9K399 T400 T401 E405K399-I403 WeakPolarHBondContact O-CG1 3.48Å; K399-I403 PolarHBondContact O-N 3.22Å; T400-I403 CarbonylContact O-C 3.56Å; T400-I403 PolarHBondContact O-N 2.89Å; T401-I403 VanDerWaalsContact C-N 3.33Å; T401-I403 PolarHBondContact O-N 2.84Å; I403-E405 PolarHBondContact O-N 2.83Å; I403-E405 VanDerWaalsContact O-N 3.09Å
404L75.7Confident78.4Confident16 Ų1677.3 Ų77.38%0.08441%0.409CS..  trans-64.8113.7-173.6-171.970.4000109.8F370 P385 T400 T401 I406F370-L404 HydrophobicContact CE2-CD2 4.5Å; F370-L404 HydrophobicContact CZ-CD2 3.9Å; P385-L404 HydrophobicContact CB-CD1 4.26Å; P385-L404 HydrophobicContact CB-CD2 4.37Å; T400-L404 HydrophobicContact CG2-CD1 4.45Å; T400-L404 WeakPolarHBondContact O-CA 3.35Å; T400-L404 WeakPolarHBondContact O-CB 3.19Å; T400-L404 PolarHBondContact O-N 3.34Å; T401-L404 WeakPolarHBondContact O-CB 3.46Å; T401-L404 PolarHBondContact O-N 3.28Å; L404-I406 HydrophobicContact CD1-CD1 3.74Å; L404-I406 HydrophobicContact CD2-CD1 3.96Å; L404-I406 HydrophobicContact CD2-CG1 4.25Å; L404-I406 HydrophobicContact CG-CD1 3.81Å; L404-I406 HydrophobicContact CG-CG1 4.13Å
405E74.9Confident79.9Confident142 Ų14275.2 Ų75.266%0.66440%0.401SS*.  trans-118.6110.2167.2-70.7-177-178.300107I403 E407 R426I403-E405 PolarHBondContact O-N 2.83Å; I403-E405 VanDerWaalsContact O-N 3.09Å; E405-E407 PolarHBondContact O-N 3.48Å; E405-R426 IonicContact OE1-CZ 3.55Å; E405-R426 IonicContact OE1-NH2 2.9Å; E405-R426 PolarHBondContact OE1-NH2 2.91Å
406I78.6Confident81.4Confident41 Ų4171.9 Ų71.921%0.2138%0.381CS..  trans-82.7101178.9-57.8-66.7000107.7P385 L404 I420 L424P385-I406 HydrophobicContact CB-CD1 3.57Å; L404-I406 HydrophobicContact CD1-CD1 3.74Å; L404-I406 HydrophobicContact CD2-CD1 3.96Å; L404-I406 HydrophobicContact CD2-CG1 4.25Å; L404-I406 HydrophobicContact CG-CD1 3.81Å; L404-I406 HydrophobicContact CG-CG1 4.13Å; I406-I420 HydrophobicContact CG2-CG2 4.12Å; I406-L424 HydrophobicContact CD1-CD1 3.94Å; I406-L424 HydrophobicContact CG1-CB 4.06Å; I406-L424 HydrophobicContact CG1-CD1 3.73Å
407E78.6Confident82.8Confident170 Ų17070.2 Ų70.279%0.79437%0.372SS*.PPolyproline II helixtrans-64.5135.1167.5-66-174.8164.500109.5E405 A409E405-E407 PolarHBondContact O-N 3.48Å; E407-A409 PolarHBondContact O-N 2.95Å
408P81.4Confident84.3Confident98 Ų9872.7 Ų72.764%0.63639%0.393SS*.PPolyproline II helixtrans-53.1127.7173.3-25.234.1000110.2N417P408-N417 WeakPolarHBondContact CA-OD1 3.48Å; P408-N417 HydrophobicContact CB-CB 4.36Å
409A85.2Confident85.4Confident17 Ų1769.7 Ų69.714%0.1438%0.379CS..PPolyproline II helixtrans-86.1130.817700000109.4E407 C411 F412 N417E407-A409 PolarHBondContact O-N 2.95Å; A409-C411 PolarHBondContact O-N 3.05Å; A409-C411 VanDerWaalsContact O-N 3.13Å; A409-F412 HydrophobicContact CB-CD1 4.48Å; A409-F412 HydrophobicContact CB-CD2 3.63Å; A409-F412 HydrophobicContact CB-CE2 3.87Å; A409-F412 HydrophobicContact CB-CG 3.96Å; A409-F412 HydrophobicContact CB-CZ 4.4Å; A409-F412 PolarHBondContact O-N 2.81Å; A409-N417 PolarHBondContact N-OD1 3.22Å; A409-N417 PolarHBondContact O-ND2 2.81Å
410D86.2Confident86.5Confident175 Ų17563.9 Ų63.994%0.93635%0.354SS*.THydrogen-bonded Turntrans-59.8-25.3178-64.7-30.9000113.1F412D410-F412 VanDerWaalsContact C-N 3.28Å; D410-F412 PolarHBondContact O-N 3.12Å
411C89.3Confident87.5Confident84 Ų8462.7 Ų62.757%0.56835%0.35SS*.THydrogen-bonded Turntrans-78.4-9.5177.664.70000113.9R381 A409R381-C411 PolarHBondContact NH1-SG 2.92Å; A409-C411 PolarHBondContact O-N 3.05Å; A409-C411 VanDerWaalsContact O-N 3.13Å
412F93.3Very high88.4Confident18 Ų1863.2 Ų63.28%0.07936%0.357CS..SBendtrans-99.3143.1178.6-62.8-17.6000110.4E286 Y377 L380 R381 A409 D410 C416 N417E286-F412 VanDerWaalsContact OE1-CA 3.29Å; E286-F412 WeakPolarHBondContact OE1-CA 3.45Å; Y377-F412 HydrophobicContact CD2-CE2 4.35Å; Y377-F412 HydrophobicContact CE2-CE2 4.25Å; L380-F412 HydrophobicContact CB-CE1 3.91Å; L380-F412 HydrophobicContact CB-CZ 3.96Å; L380-F412 HydrophobicContact CD1-CD1 4.45Å; L380-F412 HydrophobicContact CD1-CE1 3.97Å; L380-F412 HydrophobicContact CD1-CE2 4.41Å; L380-F412 HydrophobicContact CD1-CZ 3.93Å; L380-F412 HydrophobicContact CG-CE1 4.48Å; R381-F412 HydrophobicContact CG-CE1 4.31Å; R381-F412 HydrophobicContact CG-CZ 3.66Å; A409-F412 HydrophobicContact CB-CD1 4.48Å; A409-F412 HydrophobicContact CB-CD2 3.63Å; A409-F412 HydrophobicContact CB-CE2 3.87Å; A409-F412 HydrophobicContact CB-CG 3.96Å; A409-F412 HydrophobicContact CB-CZ 4.4Å; A409-F412 PolarHBondContact O-N 2.81Å; D410-F412 VanDerWaalsContact C-N 3.28Å; D410-F412 PolarHBondContact O-N 3.12Å; F412-C416 HydrophobicContact CB-CB 4.14Å; F412-N417 PolarHBondContact O-ND2 2.78Å
413S96.1Very high89.4Confident35 Ų3559 Ų5925%0.24534%0.338CS..  trans-59.4153.917172.40000110.5E286 H415 C416 N417E286-S413 PolarHBondContact OE1-N 2.85Å; E286-S413 PolarHBondContact OE1-OG 3.04Å; E286-S413 VanDerWaalsContact OE2-CB 3.27Å; E286-S413 WeakPolarHBondContact OE2-CB 3.25Å; E286-S413 PolarHBondContact OE2-OG 3.39Å; S413-H415 PolarHBondContact O-N 2.79Å; S413-H415 VanDerWaalsContact O-N 3.13Å; S413-C416 PolarHBondContact O-N 3.11Å; S413-C416 WeakPolarHBondContact OG-CB 3.37Å; S413-C416 PolarHBondContact OG-N 2.86Å; S413-C416 VanDerWaalsContact OG-N 3.09Å; S413-N417 PolarHBondContact O-N 3.21Å
414P96.1Very high90.3Very high106 Ų10653.6 Ų53.669%0.68831%0.31SS*.Hα-helixtrans-54.2-34.8175.3-27.435.4000112.8A418P414-A418 WeakPolarHBondContact O-CB 3.46Å; P414-A418 PolarHBondContact O-N 2.95Å
415H96.7Very high91.2Very high93 Ų9356.7 Ų56.743%0.43133%0.325SS..Hα-helixtrans-71.5-38.6177.7-59.4-43.3000112.7S413 A418 L419 P446 F447S413-H415 PolarHBondContact O-N 2.79Å; S413-H415 VanDerWaalsContact O-N 3.13Å; H415-A418 PolarHBondContact O-N 3.23Å; H415-L419 PolarHBondContact O-N 2.93Å; H415-P446 WeakPolarHBondContact ND1-CB 3.41Å; H415-F447 HydrophobicContact CB-CB 4.03Å; H415-F447 HydrophobicContact CB-CD2 4.09Å
416C96.9Very high92Very high0 Ų054.2 Ų54.20%031%0.309CS..Hα-helixtrans-67.7-44.5174.7-174.60000111.4E286 L380 F412 S413 A418 L419 I420 F447E286-C416 HydrophobicContact CG-CB 4.28Å; E286-C416 VanDerWaalsContact OE1-CB 3.26Å; E286-C416 WeakPolarHBondContact OE1-CB 3.3Å; E286-C416 WeakPolarHBondContact OE2-CB 3.41Å; L380-C416 VanDerWaalsContact CD1-SG 3.59Å; F412-C416 HydrophobicContact CB-CB 4.14Å; S413-C416 PolarHBondContact O-N 3.11Å; S413-C416 WeakPolarHBondContact OG-CB 3.37Å; S413-C416 PolarHBondContact OG-N 2.86Å; S413-C416 VanDerWaalsContact OG-N 3.09Å; C416-A418 VanDerWaalsContact C-N 3.3Å; C416-A418 PolarHBondContact O-N 3.21Å; C416-L419 PolarHBondContact O-N 3.22Å; C416-I420 WeakPolarHBondContact O-CG1 3.28Å; C416-I420 PolarHBondContact O-N 3.24Å; C416-F447 HydrophobicContact CB-CD2 4.03Å; C416-F447 HydrophobicContact CB-CE2 3.76Å
417N95.9Very high92.7Very high30 Ų3058.4 Ų58.416%0.1633%0.328CS..Hα-helixtrans-58.1-42.2173.4-84.6-44.9000111.8P408 A409 F412 S413 G421P408-N417 WeakPolarHBondContact CA-OD1 3.48Å; P408-N417 HydrophobicContact CB-CB 4.36Å; A409-N417 PolarHBondContact N-OD1 3.22Å; A409-N417 PolarHBondContact O-ND2 2.81Å; F412-N417 PolarHBondContact O-ND2 2.78Å; S413-N417 PolarHBondContact O-N 3.21Å; N417-G421 WeakPolarHBondContact O-CA 3.17Å; N417-G421 PolarHBondContact O-N 2.71Å
418A95.9Very high93.5Very high59 Ų5952.5 Ų52.549%0.48830%0.303SS..Hα-helixtrans-63.7-41175.600000112.8P414 H415 C416 G422P414-A418 WeakPolarHBondContact O-CB 3.46Å; P414-A418 PolarHBondContact O-N 2.95Å; H415-A418 PolarHBondContact O-N 3.23Å; C416-A418 VanDerWaalsContact C-N 3.3Å; C416-A418 PolarHBondContact O-N 3.21Å; A418-G422 PolarHBondContact O-N 3.11Å
419L97.1Very high94.2Very high0 Ų051.4 Ų51.40%030%0.303CS..Hα-helixtrans-61.7-60.1174.3169.960.7000110.8L376 H415 C416 G421 G422 V423 L432 L445 F447 F448L376-L419 HydrophobicContact CD1-CD2 3.8Å; L376-L419 HydrophobicContact CD1-CG 4.36Å; H415-L419 PolarHBondContact O-N 2.93Å; C416-L419 PolarHBondContact O-N 3.22Å; L419-G421 PolarHBondContact O-N 2.95Å; L419-G422 PolarHBondContact O-N 3.11Å; L419-G422 VanDerWaalsContact O-N 3.15Å; L419-V423 HydrophobicContact CD1-CG1 3.97Å; L419-V423 WeakPolarHBondContact O-CG2 3.18Å; L419-V423 PolarHBondContact O-N 3.02Å; L419-L432 HydrophobicContact CD1-CD2 4.32Å; L419-L445 HydrophobicContact CB-CD1 4.08Å; L419-L445 HydrophobicContact CD1-CD1 3.66Å; L419-L445 HydrophobicContact CG-CD1 4.45Å; L419-F447 HydrophobicContact CB-CB 4.48Å; L419-F447 HydrophobicContact CB-CG 4.49Å; L419-F447 HydrophobicContact CD2-CD1 3.48Å; L419-F447 VanDerWaalsContact CD2-CD1 3.48Å; L419-F447 HydrophobicContact CD2-CE1 3.74Å; L419-F447 HydrophobicContact CD2-CG 4Å; L419-F447 HydrophobicContact CD2-CZ 4.47Å; L419-F448 HydrophobicContact CD1-CE2 4.1Å; L419-F448 HydrophobicContact CD2-CE2 3.98Å; L419-F448 HydrophobicContact CD2-CZ 3.92Å
420I95.9Very high94.7Very high1 Ų154.7 Ų54.71%0.00532%0.317CS..Hα-helixtrans-59.8-48.7-175.5-65.2-63.8000110.9L376 Y377 I406 C416 G422 V423 L424L376-I420 HydrophobicContact CB-CD1 3.67Å; L376-I420 HydrophobicContact CD1-CD1 4.34Å; Y377-I420 HydrophobicContact CD2-CG2 4.05Å; I406-I420 HydrophobicContact CG2-CG2 4.12Å; C416-I420 WeakPolarHBondContact O-CG1 3.28Å; C416-I420 PolarHBondContact O-N 3.24Å; I420-G422 VanDerWaalsContact C-N 3.28Å; I420-G422 PolarHBondContact O-N 3.37Å; I420-V423 WeakPolarHBondContact O-CG2 3.49Å; I420-V423 PolarHBondContact O-N 2.98Å; I420-L424 HydrophobicContact CG2-CD1 3.78Å; I420-L424 VanDerWaalsContact O-CB 3.29Å; I420-L424 WeakPolarHBondContact O-CB 3.17Å; I420-L424 WeakPolarHBondContact O-CG 3.38Å; I420-L424 PolarHBondContact O-N 3.26Å
421G94.4Very high95.2Very high21 Ų2146.3 Ų46.322%0.21627%0.273CS..Hα-helixtrans-64.7-31.2178.100000113N417 L419 Q425N417-G421 WeakPolarHBondContact O-CA 3.17Å; N417-G421 PolarHBondContact O-N 2.71Å; L419-G421 PolarHBondContact O-N 2.95Å; G421-Q425 WeakPolarHBondContact O-CG 3.37Å; G421-Q425 PolarHBondContact O-NE2 2.6Å
422G95.9Very high95.6Very high14 Ų1443 Ų4314%0.14425%0.25CC..Hα-helixtrans-73.6-42.9176.800000113.6A418 L419 I420 Q425 L432A418-G422 PolarHBondContact O-N 3.11Å; L419-G422 PolarHBondContact O-N 3.11Å; L419-G422 VanDerWaalsContact O-N 3.15Å; I420-G422 VanDerWaalsContact C-N 3.28Å; I420-G422 PolarHBondContact O-N 3.37Å; G422-Q425 WeakPolarHBondContact O-CG 3.33Å; G422-L432 PolarHBondContact O-N 3.1Å
423V96.2Very high95.8Very high0 Ų042.4 Ų42.40%025%0.248CC..Hα-helixtrans-79.7-24-179.4-61.10000113.2F372 L419 I420 Q425 R431 L432 L442F372-V423 HydrophobicContact CD1-CG1 4.44Å; L419-V423 HydrophobicContact CD1-CG1 3.97Å; L419-V423 WeakPolarHBondContact O-CG2 3.18Å; L419-V423 PolarHBondContact O-N 3.02Å; I420-V423 WeakPolarHBondContact O-CG2 3.49Å; I420-V423 PolarHBondContact O-N 2.98Å; V423-Q425 VanDerWaalsContact C-N 3.34Å; V423-R431 VanDerWaalsContact O-CD 3.32Å; V423-R431 WeakPolarHBondContact O-CD 3.47Å; V423-R431 VanDerWaalsContact O-CG 3.26Å; V423-R431 WeakPolarHBondContact O-CG 3.45Å; V423-L432 HydrophobicContact CG1-CB 3.98Å; V423-L432 HydrophobicContact CG1-CD2 3.97Å; V423-L432 HydrophobicContact CG1-CG 4.47Å; V423-L442 HydrophobicContact CG1-CD2 3.9Å
424L95.5Very high95.8Very high6 Ų642.3 Ų42.33%0.03125%0.247CC..THydrogen-bonded Turntrans-92.615.7177.2-66.9178.8000113.7F370 P385 I406 I420 R426F370-L424 HydrophobicContact CD1-CD2 4.39Å; F370-L424 HydrophobicContact CD2-CD2 4.12Å; F370-L424 HydrophobicContact CE1-CD2 4.3Å; F370-L424 HydrophobicContact CE2-CD2 4.01Å; F370-L424 HydrophobicContact CG-CD2 4.31Å; F370-L424 HydrophobicContact CZ-CD2 4.1Å; F370-L424 WeakPolarHBondContact O-CD2 2.85Å; P385-L424 HydrophobicContact CB-CD1 4.42Å; P385-L424 HydrophobicContact CG-CD1 4.13Å; I406-L424 HydrophobicContact CD1-CD1 3.94Å; I406-L424 HydrophobicContact CG1-CB 4.06Å; I406-L424 HydrophobicContact CG1-CD1 3.73Å; I420-L424 HydrophobicContact CG2-CD1 3.78Å; I420-L424 VanDerWaalsContact O-CB 3.29Å; I420-L424 WeakPolarHBondContact O-CB 3.17Å; I420-L424 WeakPolarHBondContact O-CG 3.38Å; I420-L424 PolarHBondContact O-N 3.26Å; L424-R426 PolarHBondContact O-N 3.3Å
425Q94.8Very high95.7Very high81 Ų8144.4 Ų44.438%0.37924%0.241SC..  trans-60.7135.9170.4-69.7-62.2-35.300111G421 G422 V423 D430 R431G421-Q425 WeakPolarHBondContact O-CG 3.37Å; G421-Q425 PolarHBondContact O-NE2 2.6Å; G422-Q425 WeakPolarHBondContact O-CG 3.33Å; V423-Q425 VanDerWaalsContact C-N 3.34Å; Q425-D430 HydrophobicContact CB-CB 4.36Å; Q425-D430 HydrophobicContact CG-CB 4.33Å; Q425-R431 HydrophobicContact CB-CB 4.1Å; Q425-R431 HydrophobicContact CB-CG 4.46Å; Q425-R431 PolarHBondContact O-NE 3.37Å; Q425-R431 PolarHBondContact O-NH2 3.04Å
426R92.1Very high95.5Very high90 Ų9043.6 Ų43.634%0.3426%0.258SS..SBendtrans-67.7-50.7179.7-68.1-177.9-69.7-168.2-13.7111.2P354 F402 E405 L424 V428 R431P354-R426 HydrophobicContact CG-CB 4.41Å; P354-R426 HydrophobicContact CG-CG 4.46Å; F402-R426 WeakPolarHBondContact O-CD 3.3Å; F402-R426 PolarHBondContact O-NH1 2.91Å; E405-R426 IonicContact OE1-CZ 3.55Å; E405-R426 IonicContact OE1-NH2 2.9Å; E405-R426 PolarHBondContact OE1-NH2 2.91Å; L424-R426 PolarHBondContact O-N 3.3Å; R426-V428 PolarHBondContact O-N 3.17Å; R426-R431 PolarHBondContact O-NH2 3.3Å
427E93.8Very high95.4Very high128 Ų12850.9 Ų50.960%0.59829%0.286SS*.SBendtrans-72.5125.4178.6-64-53.913700110.6A429 D430 R431E427-A429 PolarHBondContact O-N 3.46Å; E427-D430 HydrophobicContact CB-CB 4.46Å; E427-D430 PolarHBondContact O-N 3.22Å; E427-D430 VanDerWaalsContact O-N 3.12Å; E427-R431 PolarHBondContact O-N 3.24Å; E427-R431 VanDerWaalsContact O-N 3.1Å
428V96Very high95.4Very high47 Ų4750.7 Ų50.729%0.28529%0.291SS..THydrogen-bonded Turntrans-59.7-36.6-179175.40000111.1E355 R426 D430 R431 C434E355-V428 HydrophobicContact CB-CG2 4.35Å; E355-V428 HydrophobicContact CG-CG2 4.04Å; R426-V428 PolarHBondContact O-N 3.17Å; V428-D430 PolarHBondContact O-N 3.34Å; V428-R431 PolarHBondContact O-N 3.11Å; V428-C434 HydrophobicContact CG1-CB 3.95Å; V428-C434 WeakPolarHBondContact O-CB 3.34Å
429A95.7Very high95.5Very high75 Ų7548.2 Ų48.262%0.6227%0.27SS*.THydrogen-bonded Turntrans-62.6-30.6179.500000113.2E427E427-A429 PolarHBondContact O-N 3.46Å
430D95.4Very high95.5Very high85 Ų8551.9 Ų51.946%0.45529%0.289SS..THydrogen-bonded Turntrans-94.6-13.1179.8-63.8-46.5000112.4Q425 E427 V428 R435Q425-D430 HydrophobicContact CB-CB 4.36Å; Q425-D430 HydrophobicContact CG-CB 4.33Å; E427-D430 HydrophobicContact CB-CB 4.46Å; E427-D430 PolarHBondContact O-N 3.22Å; E427-D430 VanDerWaalsContact O-N 3.12Å; V428-D430 PolarHBondContact O-N 3.34Å; D430-R435 PolarHBondContact O-NE 3.17Å; D430-R435 PolarHBondContact O-NH2 3.41Å
431R97.2Very high95.5Very high0 Ų052.2 Ų52.20%029%0.291CS..SBendtrans-70.2132.3-178-165.2179.5-59.7152.35.5112.1E355 S366 V423 Q425 R426 E427 V428 G433 C434E355-R431 VanDerWaalsContact CD-NH1 3.31Å; E355-R431 IonicContact OE1-CZ 2.66Å; E355-R431 IonicContact OE1-NH1 3.69Å; E355-R431 PolarHBondContact OE1-NH1 3.43Å; E355-R431 IonicContact OE1-NH2 3.39Å; E355-R431 IonicContact OE2-CZ 3.42Å; E355-R431 IonicContact OE2-NH1 3.94Å; E355-R431 PolarHBondContact OE2-NH1 3.33Å; E355-R431 IonicContact OE2-NH2 3.95Å; E355-R431 PolarHBondContact OE2-NH2 3.01Å; S366-R431 PolarHBondContact O-NH1 3.27Å; V423-R431 VanDerWaalsContact O-CD 3.32Å; V423-R431 WeakPolarHBondContact O-CD 3.47Å; V423-R431 VanDerWaalsContact O-CG 3.26Å; V423-R431 WeakPolarHBondContact O-CG 3.45Å; Q425-R431 HydrophobicContact CB-CB 4.1Å; Q425-R431 HydrophobicContact CB-CG 4.46Å; Q425-R431 PolarHBondContact O-NE 3.37Å; Q425-R431 PolarHBondContact O-NH2 3.04Å; R426-R431 PolarHBondContact O-NH2 3.3Å; E427-R431 PolarHBondContact O-N 3.24Å; E427-R431 VanDerWaalsContact O-N 3.1Å; V428-R431 PolarHBondContact O-N 3.11Å; R431-G433 PolarHBondContact O-N 2.83Å; R431-C434 HydrophobicContact CB-CB 4.26Å; R431-C434 WeakPolarHBondContact O-CB 3.39Å; R431-C434 PolarHBondContact O-N 3.45Å; R431-C434 VanDerWaalsContact O-N 3.12Å
432L96.7Very high95.7Very high15 Ų1551.2 Ų51.28%0.07928%0.281CS..THydrogen-bonded Turntrans-63.3133.4175-169.374.3000110.5L419 G422 V423 E441 L442 L445L419-L432 HydrophobicContact CD1-CD2 4.32Å; G422-L432 PolarHBondContact O-N 3.1Å; V423-L432 HydrophobicContact CG1-CB 3.98Å; V423-L432 HydrophobicContact CG1-CD2 3.97Å; V423-L432 HydrophobicContact CG1-CG 4.47Å; L432-E441 HydrophobicContact CD1-CB 3.94Å; L432-E441 HydrophobicContact CG-CB 4.38Å; L432-L442 HydrophobicContact CD2-CG 3.85Å; L432-L442 HydrophobicContact CG-CD1 4.33Å; L432-L442 HydrophobicContact CG-CG 4.06Å; L432-L445 HydrophobicContact CD1-CD2 4.44Å; L432-L445 HydrophobicContact CD2-CD1 3.31Å; L432-L445 HydrophobicContact CD2-CD2 4.2Å; L432-L445 HydrophobicContact CD2-CG 3.93Å
433G96.9Very high95.7Very high4 Ų452.1 Ų52.14%0.04128%0.281CS..THydrogen-bonded Turntrans92.7-4-17300000114W369 R431 G438 E441 L442W369-G433 PolarHBondContact NE1-O 3.42Å; W369-G433 VanDerWaalsContact NE1-O 3.15Å; R431-G433 PolarHBondContact O-N 2.83Å; G433-G438 WeakPolarHBondContact CA-O 3.39Å; G433-G438 WeakPolarHBondContact O-CA 3.42Å; G433-E441 WeakPolarHBondContact CA-OE2 3.49Å; G433-E441 PolarHBondContact N-OE2 2.95Å; G433-L442 VanDerWaalsContact CA-CD1 3.48Å
434C97.2Very high95.7Very high34 Ų3455.7 Ų55.723%0.2331%0.306CS..  trans-1183.7-175.5-54.30000113.3V428 R431 G436 E441V428-C434 HydrophobicContact CG1-CB 3.95Å; V428-C434 WeakPolarHBondContact O-CB 3.34Å; R431-C434 HydrophobicContact CB-CB 4.26Å; R431-C434 WeakPolarHBondContact O-CB 3.39Å; R431-C434 PolarHBondContact O-N 3.45Å; R431-C434 VanDerWaalsContact O-N 3.12Å; C434-G436 VanDerWaalsContact C-N 3.3Å; C434-G436 PolarHBondContact O-N 3.48Å; C434-E441 PolarHBondContact N-OE2 3.06Å
435R93.9Very high95.8Very high149 Ų14957 Ų5756%0.56231%0.312SS*.SBendtrans-9422.7-175.7-51.5176.1-179.2175-1.8113.2D430 E441D430-R435 PolarHBondContact O-NE 3.17Å; D430-R435 PolarHBondContact O-NH2 3.41Å; R435-E441 WeakPolarHBondContact CA-OE1 3.44Å; R435-E441 WeakPolarHBondContact CB-OE1 3.13Å; R435-E441 WeakPolarHBondContact CB-OE2 3.44Å; R435-E441 PolarHBondContact N-OE1 3.26Å; R435-E441 PolarHBondContact N-OE2 3.12Å
436G92.4Very high95.9Very high76 Ų7656.3 Ų56.378%0.78432%0.315SS*.SBendtrans101-12.1172.200000116.3C434 E441C434-G436 VanDerWaalsContact C-N 3.3Å; C434-G436 PolarHBondContact O-N 3.48Å; G436-E441 PolarHBondContact N-OE1 3.49Å; G436-E441 VanDerWaalsContact N-OE1 3.11Å
437R95.4Very high96.2Very high154 Ų15452.3 Ų52.358%0.58130%0.3SS*.SBendtrans-108.42.5176.6-51.4-173.9-60.7162.35.9114A439 D440 E441R437-A439 PolarHBondContact O-N 3.11Å; R437-D440 HydrophobicContact CB-CB 4.32Å; R437-D440 PolarHBondContact O-N 2.84Å; R437-E441 HydrophobicContact CB-CG 3.76Å; R437-E441 PolarHBondContact N-OE1 3.37Å
438G95.6Very high96.4Very high26 Ų2646.3 Ų46.327%0.26827%0.272SS..THydrogen-bonded Turntrans59.6-133.5173.700000112.3G433 D440 E441G433-G438 WeakPolarHBondContact CA-O 3.39Å; G433-G438 WeakPolarHBondContact O-CA 3.42Å; G438-D440 PolarHBondContact O-N 2.82Å; G438-D440 VanDerWaalsContact O-N 3.15Å; G438-E441 WeakPolarHBondContact O-CB 3.29Å; G438-E441 PolarHBondContact O-N 3.43Å; G438-E441 VanDerWaalsContact O-N 3.16Å
439A97.3Very high96.3Very high6 Ų652 Ų525%0.0530%0.296CS..Hα-helixtrans-55.5-32.6-179.400000113.5I297 E301 W369 R437 E441 L442 K443I297-A439 HydrophobicContact CG2-CB 4.15Å; E301-A439 HydrophobicContact CB-CB 3.81Å; E301-A439 HydrophobicContact CG-CB 3.94Å; W369-A439 HydrophobicContact CH2-CB 3.86Å; W369-A439 HydrophobicContact CZ2-CB 4.01Å; R437-A439 PolarHBondContact O-N 3.11Å; A439-E441 PolarHBondContact O-N 3.07Å; A439-E441 VanDerWaalsContact O-N 3.15Å; A439-L442 WeakPolarHBondContact O-CB 3.41Å; A439-L442 PolarHBondContact O-N 3.16Å; A439-K443 WeakPolarHBondContact O-CG 3.37Å; A439-K443 PolarHBondContact O-N 3.34Å
440D96.8Very high96.2Very high77 Ų7752.8 Ų52.841%0.41230%0.297SS..Hα-helixtrans-62.8-25-177.3-65.9-26.6000112.8R437 G438 K443 S444R437-D440 HydrophobicContact CB-CB 4.32Å; R437-D440 PolarHBondContact O-N 2.84Å; G438-D440 PolarHBondContact O-N 2.82Å; G438-D440 VanDerWaalsContact O-N 3.15Å; D440-K443 PolarHBondContact O-N 3.22Å; D440-K443 IonicContact OD1-NZ 2.82Å; D440-S444 WeakPolarHBondContact O-CB 3.47Å; D440-S444 PolarHBondContact O-N 2.94Å; D440-S444 VanDerWaalsContact O-N 3.08Å; D440-S444 PolarHBondContact O-OG 2.98Å
441E97Very high96.2Very high9 Ų949.9 Ų49.94%0.04228%0.281CS..Hα-helixtrans-62.7-46.3172.4-58.9177.9-159.900111.2L432 G433 C434 R435 G436 R437 G438 A439 S444L432-E441 HydrophobicContact CD1-CB 3.94Å; L432-E441 HydrophobicContact CG-CB 4.38Å; G433-E441 WeakPolarHBondContact CA-OE2 3.49Å; G433-E441 PolarHBondContact N-OE2 2.95Å; C434-E441 PolarHBondContact N-OE2 3.06Å; R435-E441 WeakPolarHBondContact CA-OE1 3.44Å; R435-E441 WeakPolarHBondContact CB-OE1 3.13Å; R435-E441 WeakPolarHBondContact CB-OE2 3.44Å; R435-E441 PolarHBondContact N-OE1 3.26Å; R435-E441 PolarHBondContact N-OE2 3.12Å; G436-E441 PolarHBondContact N-OE1 3.49Å; G436-E441 VanDerWaalsContact N-OE1 3.11Å; R437-E441 HydrophobicContact CB-CG 3.76Å; R437-E441 PolarHBondContact N-OE1 3.37Å; G438-E441 WeakPolarHBondContact O-CB 3.29Å; G438-E441 PolarHBondContact O-N 3.43Å; G438-E441 VanDerWaalsContact O-N 3.16Å; A439-E441 PolarHBondContact O-N 3.07Å; A439-E441 VanDerWaalsContact O-N 3.15Å; E441-S444 PolarHBondContact O-OG 3.44Å
442L97.5Very high95.9Very high0 Ų052.8 Ų52.80%030%0.297CS..Hα-helixtrans-67.2-45177.2-67.588.9000110.3I297 W369 F372 V423 L432 G433 A439 S444 L445 F448I297-L442 HydrophobicContact CD1-CB 4.11Å; I297-L442 HydrophobicContact CD1-CD2 4.18Å; I297-L442 HydrophobicContact CG1-CD2 4.34Å; W369-L442 HydrophobicContact CD2-CD1 3.99Å; W369-L442 HydrophobicContact CE3-CD1 3.83Å; W369-L442 HydrophobicContact CE3-CD2 3.65Å; W369-L442 HydrophobicContact CE3-CG 4.43Å; W369-L442 HydrophobicContact CH2-CD1 4.02Å; W369-L442 HydrophobicContact CZ2-CD1 4.14Å; W369-L442 HydrophobicContact CZ3-CD1 3.86Å; W369-L442 HydrophobicContact CZ3-CD2 3.68Å; W369-L442 HydrophobicContact CZ3-CG 4.38Å; F372-L442 HydrophobicContact CD1-CD2 4.04Å; F372-L442 HydrophobicContact CE1-CD2 3.68Å; V423-L442 HydrophobicContact CG1-CD2 3.9Å; L432-L442 HydrophobicContact CD2-CG 3.85Å; L432-L442 HydrophobicContact CG-CD1 4.33Å; L432-L442 HydrophobicContact CG-CG 4.06Å; G433-L442 VanDerWaalsContact CA-CD1 3.48Å; A439-L442 WeakPolarHBondContact O-CB 3.41Å; A439-L442 PolarHBondContact O-N 3.16Å; L442-S444 PolarHBondContact O-N 3.19Å; L442-L445 WeakPolarHBondContact O-CB 3.47Å; L442-L445 PolarHBondContact O-N 2.89Å; L442-L445 VanDerWaalsContact O-N 3.08Å; L442-F448 VanDerWaalsContact O-CD2 3.24Å; L442-F448 WeakPolarHBondContact O-CD2 3.4Å
443K97.4Very high95.8Very high32 Ų3254.4 Ų54.414%0.13930%0.301CS..Hα-helixtrans-59-31.8-178.8-64.2-177.1-177.9168.90113.7I297 E301 A439 D440 L445 W453I297-K443 HydrophobicContact CG2-CG 4.23Å; E301-K443 IonicContact OE1-NZ 3.81Å; E301-K443 PolarHBondContact OE1-NZ 2.9Å; E301-K443 WeakPolarHBondContact OE2-CE 3.32Å; E301-K443 IonicContact OE2-NZ 3.66Å; E301-K443 PolarHBondContact OE2-NZ 3.4Å; A439-K443 WeakPolarHBondContact O-CG 3.37Å; A439-K443 PolarHBondContact O-N 3.34Å; D440-K443 PolarHBondContact O-N 3.22Å; D440-K443 IonicContact OD1-NZ 2.82Å; K443-L445 VanDerWaalsContact C-N 3.31Å; K443-L445 PolarHBondContact O-N 3.46Å; K443-W453 VanDerWaalsContact CA-CZ2 3.44Å; K443-W453 HydrophobicContact CB-CD2 4.15Å; K443-W453 HydrophobicContact CB-CH2 4.37Å; K443-W453 HydrophobicContact CB-CZ2 3.67Å; K443-W453 HydrophobicContact CD-CD2 3.8Å; K443-W453 HydrophobicContact CD-CE3 4.01Å; K443-W453 HydrophobicContact CD-CG 4.19Å; K443-W453 HydrophobicContact CD-CZ3 4.41Å; K443-W453 HydrophobicContact CG-CD2 3.71Å; K443-W453 VanDerWaalsContact CG-CE2 3.46Å; K443-W453 HydrophobicContact CG-CE3 3.93Å; K443-W453 HydrophobicContact CG-CG 4.46Å; K443-W453 HydrophobicContact CG-CH2 3.73Å; K443-W453 HydrophobicContact CG-CZ2 3.52Å; K443-W453 HydrophobicContact CG-CZ3 3.91Å; K443-W453 PolarHBondContact O-NE1 3.29Å
444S96Very high95.3Very high75 Ų7557.6 Ų57.652%0.52432%0.316SS..THydrogen-bonded Turntrans-80.7-4.4-179.969.40000114.9D440 E441 L442D440-S444 WeakPolarHBondContact O-CB 3.47Å; D440-S444 PolarHBondContact O-N 2.94Å; D440-S444 VanDerWaalsContact O-N 3.08Å; D440-S444 PolarHBondContact O-OG 2.98Å; E441-S444 PolarHBondContact O-OG 3.44Å; L442-S444 PolarHBondContact O-N 3.19Å
445L96.9Very high94.9Very high33 Ų3359 Ų5917%0.17332%0.319CS..SBendtrans-69.2146.1-178.8-73.8-179000112.5L419 L432 L442 K443 F447 F448 Q449L419-L445 HydrophobicContact CB-CD1 4.08Å; L419-L445 HydrophobicContact CD1-CD1 3.66Å; L419-L445 HydrophobicContact CG-CD1 4.45Å; L432-L445 HydrophobicContact CD1-CD2 4.44Å; L432-L445 HydrophobicContact CD2-CD1 3.31Å; L432-L445 HydrophobicContact CD2-CD2 4.2Å; L432-L445 HydrophobicContact CD2-CG 3.93Å; L442-L445 WeakPolarHBondContact O-CB 3.47Å; L442-L445 PolarHBondContact O-N 2.89Å; L442-L445 VanDerWaalsContact O-N 3.08Å; K443-L445 VanDerWaalsContact C-N 3.31Å; K443-L445 PolarHBondContact O-N 3.46Å; L445-F447 PolarHBondContact O-N 3.04Å; L445-F448 HydrophobicContact CB-CD2 4.3Å; L445-F448 PolarHBondContact O-N 3.18Å; L445-Q449 PolarHBondContact O-N 2.75Å
446P97.3Very high94.9Very high68 Ų6852 Ų5244%0.44229%0.292SS..G310 helixtrans-53.7-29.3171.4-28.536.1000114.3H415 F448 Q449H415-P446 WeakPolarHBondContact ND1-CB 3.41Å; P446-F448 PolarHBondContact O-N 2.91Å; P446-Q449 VanDerWaalsContact O-CB 3.29Å; P446-Q449 WeakPolarHBondContact O-CB 3.39Å; P446-Q449 PolarHBondContact O-N 3.13Å; P446-Q449 VanDerWaalsContact O-N 3.11Å
447F97.9Very high94.9Very high5 Ų551.7 Ų51.72%0.02227%0.268CS..G310 helixtrans-58.5-30.7176.1-174.2-97.7000113.1E286 M289 R290 H415 C416 L419 L445E286-F447 HydrophobicContact CB-CE2 4.31Å; E286-F447 HydrophobicContact CB-CZ 4.45Å; M289-F447 HydrophobicContact CE-CE1 3.88Å; M289-F447 HydrophobicContact CE-CE2 4.33Å; M289-F447 HydrophobicContact CE-CZ 3.44Å; M289-F447 VanDerWaalsContact CE-CZ 3.44Å; M289-F447 HydrophobicContact SD-CE1 4.35Å; M289-F447 HydrophobicContact SD-CZ 4.36Å; R290-F447 HydrophobicContact CB-CE1 3.76Å; R290-F447 HydrophobicContact CB-CZ 3.97Å; R290-F447 WeakPolarHBondContact CD-O 3.39Å; R290-F447 HydrophobicContact CG-CD1 4.29Å; R290-F447 HydrophobicContact CG-CE1 3.76Å; R290-F447 HydrophobicContact CG-CZ 4.34Å; R290-F447 PolarHBondContact NE-O 3.04Å; H415-F447 HydrophobicContact CB-CB 4.03Å; H415-F447 HydrophobicContact CB-CD2 4.09Å; C416-F447 HydrophobicContact CB-CD2 4.03Å; C416-F447 HydrophobicContact CB-CE2 3.76Å; L419-F447 HydrophobicContact CB-CB 4.48Å; L419-F447 HydrophobicContact CB-CG 4.49Å; L419-F447 HydrophobicContact CD2-CD1 3.48Å; L419-F447 VanDerWaalsContact CD2-CD1 3.48Å; L419-F447 HydrophobicContact CD2-CE1 3.74Å; L419-F447 HydrophobicContact CD2-CG 4Å; L419-F447 HydrophobicContact CD2-CZ 4.47Å; L445-F447 PolarHBondContact O-N 3.04Å
448F97.7Very high94.5Very high2 Ų247 Ų471%0.00925%0.254CS..G310 helixtrans-105.613.1178.9-60.8-73.4000112.9R290 A293 I297 L419 L442 L445 P446 S450 I451 W453R290-F448 HydrophobicContact CG-CD1 3.83Å; R290-F448 HydrophobicContact CG-CE1 4.02Å; A293-F448 HydrophobicContact CB-CE1 3.94Å; A293-F448 HydrophobicContact CB-CZ 4.03Å; I297-F448 HydrophobicContact CD1-CE1 4.19Å; I297-F448 HydrophobicContact CD1-CE2 3.87Å; I297-F448 HydrophobicContact CD1-CZ 3.58Å; L419-F448 HydrophobicContact CD1-CE2 4.1Å; L419-F448 HydrophobicContact CD2-CE2 3.98Å; L419-F448 HydrophobicContact CD2-CZ 3.92Å; L442-F448 VanDerWaalsContact O-CD2 3.24Å; L442-F448 WeakPolarHBondContact O-CD2 3.4Å; L445-F448 HydrophobicContact CB-CD2 4.3Å; L445-F448 PolarHBondContact O-N 3.18Å; P446-F448 PolarHBondContact O-N 2.91Å; F448-S450 PolarHBondContact O-N 3.28Å; F448-S450 VanDerWaalsContact O-N 3.12Å; F448-I451 HydrophobicContact CB-CB 4.39Å; F448-I451 HydrophobicContact CB-CG1 4.31Å; F448-I451 HydrophobicContact CD1-CG1 4.11Å; F448-I451 WeakPolarHBondContact O-CB 3.47Å; F448-I451 PolarHBondContact O-N 2.83Å; F448-W453 HydrophobicContact CB-CZ2 3.76Å; F448-W453 HydrophobicContact CD1-CH2 4.21Å; F448-W453 HydrophobicContact CD1-CZ2 4.11Å; F448-W453 HydrophobicContact CD2-CZ2 4.34Å; F448-W453 HydrophobicContact CG-CH2 4.29Å; F448-W453 AromaticContact CG-CZ2 3.83Å; F448-W453 HydrophobicContact CG-CZ2 3.83Å
449Q95Very high94.4Very high167 Ų16748.7 Ų48.778%0.7825%0.253SS*.THydrogen-bonded Turntrans-58.7-29.2-178-175.8177.78.700113.1L445 P446 I451L445-Q449 PolarHBondContact O-N 2.75Å; P446-Q449 VanDerWaalsContact O-CB 3.29Å; P446-Q449 WeakPolarHBondContact O-CB 3.39Å; P446-Q449 PolarHBondContact O-N 3.13Å; P446-Q449 VanDerWaalsContact O-N 3.11Å; Q449-I451 VanDerWaalsContact C-N 3.29Å
450S93.2Very high94.1Very high91 Ų9152.9 Ų52.964%0.63627%0.271SS*.THydrogen-bonded Turntrans-82.7-2.617768.40000114F448F448-S450 PolarHBondContact O-N 3.28Å; F448-S450 VanDerWaalsContact O-N 3.12Å
451I94.7Very high93.8Very high25 Ų2551 Ų5113%0.12826%0.261CS..  trans-95119.2-176.3-62.5-60.1000109.6R290 A294 F448 Q449 W453 V456 L461R290-I451 HydrophobicContact CG-CD1 4.06Å; R290-I451 HydrophobicContact CG-CG1 4.02Å; A294-I451 HydrophobicContact CB-CG2 4.19Å; F448-I451 HydrophobicContact CB-CB 4.39Å; F448-I451 HydrophobicContact CB-CG1 4.31Å; F448-I451 HydrophobicContact CD1-CG1 4.11Å; F448-I451 WeakPolarHBondContact O-CB 3.47Å; F448-I451 PolarHBondContact O-N 2.83Å; Q449-I451 VanDerWaalsContact C-N 3.29Å; I451-W453 HydrophobicContact CG2-CD2 4.14Å; I451-W453 HydrophobicContact CG2-CE3 4.48Å; I451-W453 HydrophobicContact CG2-CG 4.44Å; I451-W453 HydrophobicContact CG2-CZ2 4.33Å; I451-W453 PolarHBondContact O-N 3.3Å; I451-V456 HydrophobicContact CG2-CG2 3.37Å; I451-L461 HydrophobicContact CD1-CD1 4.1Å
452D91.7Very high93.6Very high61 Ų6159.5 Ų59.533%0.32630%0.298SS..  trans-82.7103.1161.4-176.5-16.5000108.8Q454 Q455 V456D452-Q454 PolarHBondContact O-N 3.43Å; D452-Q454 VanDerWaalsContact O-N 3.13Å; D452-Q454 WeakPolarHBondContact OD1-CB 3.48Å; D452-Q454 PolarHBondContact OD1-N 3.33Å; D452-Q455 HydrophobicContact CB-CB 4.06Å; D452-Q455 HydrophobicContact CB-CG 4.01Å; D452-Q455 PolarHBondContact O-N 3.31Å; D452-Q455 VanDerWaalsContact O-N 3.1Å; D452-Q455 PolarHBondContact OD1-N 3.06Å; D452-Q455 WeakPolarHBondContact OD2-CG 3.43Å; D452-Q455 PolarHBondContact OD2-NE2 3.03Å; D452-V456 WeakPolarHBondContact O-CG2 3.27Å; D452-V456 PolarHBondContact O-N 2.95Å
453W93.7Very high93.5Very high48 Ų4860.2 Ų60.218%0.18230%0.302CS..Hα-helixtrans-58.9-24.3-178.1-68.796.2000113.6A294 I297 L298 K443 F448 I451 Y457A294-W453 HydrophobicContact CB-CH2 4.13Å; A294-W453 HydrophobicContact CB-CZ3 3.99Å; I297-W453 HydrophobicContact CB-CH2 4.29Å; I297-W453 HydrophobicContact CB-CZ3 4.1Å; I297-W453 HydrophobicContact CD1-CH2 3.83Å; I297-W453 HydrophobicContact CD1-CZ3 4.49Å; I297-W453 HydrophobicContact CG2-CH2 4.06Å; I297-W453 HydrophobicContact CG2-CZ3 3.84Å; L298-W453 HydrophobicContact CD1-CE3 4.38Å; L298-W453 HydrophobicContact CD2-CE3 3.91Å; L298-W453 HydrophobicContact CD2-CZ3 4.35Å; L298-W453 HydrophobicContact CG-CE3 4.08Å; L298-W453 HydrophobicContact CG-CZ3 4.28Å; K443-W453 VanDerWaalsContact CA-CZ2 3.44Å; K443-W453 HydrophobicContact CB-CD2 4.15Å; K443-W453 HydrophobicContact CB-CH2 4.37Å; K443-W453 HydrophobicContact CB-CZ2 3.67Å; K443-W453 HydrophobicContact CD-CD2 3.8Å; K443-W453 HydrophobicContact CD-CE3 4.01Å; K443-W453 HydrophobicContact CD-CG 4.19Å; K443-W453 HydrophobicContact CD-CZ3 4.41Å; K443-W453 HydrophobicContact CG-CD2 3.71Å; K443-W453 VanDerWaalsContact CG-CE2 3.46Å; K443-W453 HydrophobicContact CG-CE3 3.93Å; K443-W453 HydrophobicContact CG-CG 4.46Å; K443-W453 HydrophobicContact CG-CH2 3.73Å; K443-W453 HydrophobicContact CG-CZ2 3.52Å; K443-W453 HydrophobicContact CG-CZ3 3.91Å; K443-W453 PolarHBondContact O-NE1 3.29Å; F448-W453 HydrophobicContact CB-CZ2 3.76Å; F448-W453 HydrophobicContact CD1-CH2 4.21Å; F448-W453 HydrophobicContact CD1-CZ2 4.11Å; F448-W453 HydrophobicContact CD2-CZ2 4.34Å; F448-W453 HydrophobicContact CG-CH2 4.29Å; F448-W453 AromaticContact CG-CZ2 3.83Å; F448-W453 HydrophobicContact CG-CZ2 3.83Å; I451-W453 HydrophobicContact CG2-CD2 4.14Å; I451-W453 HydrophobicContact CG2-CE3 4.48Å; I451-W453 HydrophobicContact CG2-CG 4.44Å; I451-W453 HydrophobicContact CG2-CZ2 4.33Å; I451-W453 PolarHBondContact O-N 3.3Å; W453-Y457 PolarHBondContact O-N 3.46Å
454Q86.5Confident93.3Very high72 Ų7261 Ų6134%0.33631%0.311SS..Hα-helixtrans-75.1-45.7177.1-164.6170.813.900110.6E90 D452 V456 Y457 L458E90-Q454 VanDerWaalsContact C-NE2 3.29Å; E90-Q454 HydrophobicContact CB-CG 3.89Å; E90-Q454 HydrophobicContact CG-CG 4.27Å; E90-Q454 PolarHBondContact O-NE2 3.12Å; E90-Q454 PolarHBondContact O-OE1 3.34Å; E90-Q454 WeakPolarHBondContact OE2-CG 3.48Å; D452-Q454 PolarHBondContact O-N 3.43Å; D452-Q454 VanDerWaalsContact O-N 3.13Å; D452-Q454 WeakPolarHBondContact OD1-CB 3.48Å; D452-Q454 PolarHBondContact OD1-N 3.33Å; Q454-V456 PolarHBondContact O-N 3.2Å; Q454-Y457 WeakPolarHBondContact O-CB 3.07Å; Q454-Y457 PolarHBondContact O-N 3.48Å; Q454-Y457 VanDerWaalsContact O-N 3.07Å; Q454-L458 PolarHBondContact O-N 2.98Å
455Q89.7Confident93Very high63 Ų6358.5 Ų58.529%0.29429%0.291SS..Hα-helixtrans-62.3-32.1172.2-69.2-179.846.700112.7D452 R459 Q460 L461D452-Q455 HydrophobicContact CB-CB 4.06Å; D452-Q455 HydrophobicContact CB-CG 4.01Å; D452-Q455 PolarHBondContact O-N 3.31Å; D452-Q455 VanDerWaalsContact O-N 3.1Å; D452-Q455 PolarHBondContact OD1-N 3.06Å; D452-Q455 WeakPolarHBondContact OD2-CG 3.43Å; D452-Q455 PolarHBondContact OD2-NE2 3.03Å; Q455-R459 PolarHBondContact O-N 2.68Å; Q455-Q460 HydrophobicContact CB-CB 4.31Å; Q455-Q460 PolarHBondContact O-N 3.41Å; Q455-L461 HydrophobicContact CB-CD2 3.86Å; Q455-L461 HydrophobicContact CB-CG 4.22Å
456V94.4Very high92.6Very high2 Ų260.6 Ų60.61%0.01231%0.305CS..Hα-helixtrans-61.1-54.9169.7-175.60000109.1F248 A294 E295 L298 I451 D452 Q454 L458 R459 L461F248-V456 HydrophobicContact CE1-CG1 4.36Å; F248-V456 HydrophobicContact CZ-CG1 4.04Å; F248-V456 VanDerWaalsContact CZ-O 3.28Å; F248-V456 WeakPolarHBondContact CZ-O 3.34Å; A294-V456 HydrophobicContact CB-CG1 4.09Å; A294-V456 HydrophobicContact CB-CG2 3.97Å; E295-V456 HydrophobicContact CG-CG1 3.86Å; L298-V456 HydrophobicContact CD1-CB 3.9Å; L298-V456 HydrophobicContact CD1-CG1 3.58Å; I451-V456 HydrophobicContact CG2-CG2 3.37Å; D452-V456 WeakPolarHBondContact O-CG2 3.27Å; D452-V456 PolarHBondContact O-N 2.95Å; Q454-V456 PolarHBondContact O-N 3.2Å; V456-L458 VanDerWaalsContact C-N 3.3Å; V456-L458 PolarHBondContact O-N 3.33Å; V456-R459 WeakPolarHBondContact O-CA 3.42Å; V456-R459 PolarHBondContact O-N 3.21Å; V456-L461 HydrophobicContact CB-CD1 4.47Å; V456-L461 HydrophobicContact CG2-CD1 3.49Å; V456-L461 VanDerWaalsContact CG2-CD1 3.49Å; V456-L461 HydrophobicContact CG2-CG 4.31Å
457Y91.4Very high92.1Very high69 Ų6957.5 Ų57.527%0.27129%0.285SS..Hα-helixtrans-53.8-43.9-178.1-172.1-93.8000112.9Q244 D245 P247 F248 W453 Q454 R459Q244-Y457 PolarHBondContact NE2-OH 2.86Å; Q244-Y457 VanDerWaalsContact NE2-OH 3.09Å; D245-Y457 PolarHBondContact O-OH 2.95Å; P247-Y457 HydrophobicContact CG-CD2 4.39Å; P247-Y457 HydrophobicContact CG-CE2 4.33Å; P247-Y457 VanDerWaalsContact CG-O 3.3Å; P247-Y457 WeakPolarHBondContact CG-O 3.35Å; F248-Y457 HydrophobicContact CE2-CD2 4.07Å; W453-Y457 PolarHBondContact O-N 3.46Å; Q454-Y457 WeakPolarHBondContact O-CB 3.07Å; Q454-Y457 PolarHBondContact O-N 3.48Å; Q454-Y457 VanDerWaalsContact O-N 3.07Å; Y457-R459 PolarHBondContact O-N 3.24Å
458L88Confident91.2Very high56 Ų5660.2 Ų60.229%0.29330%0.303SS..THydrogen-bonded Turntrans-74.5-6175.7-69172000114.9E90 Q454 V456 Q460E90-L458 HydrophobicContact CB-CD1 3.36Å; E90-L458 HydrophobicContact CB-CD2 4.35Å; E90-L458 HydrophobicContact CB-CG 4.16Å; E90-L458 HydrophobicContact CG-CD1 3.93Å; E90-L458 HydrophobicContact CG-CD2 3.99Å; E90-L458 HydrophobicContact CG-CG 4.17Å; E90-L458 WeakPolarHBondContact OE1-CD2 3.5Å; E90-L458 WeakPolarHBondContact OE2-CD1 3.49Å; E90-L458 WeakPolarHBondContact OE2-CG 3.49Å; Q454-L458 PolarHBondContact O-N 2.98Å; V456-L458 VanDerWaalsContact C-N 3.3Å; V456-L458 PolarHBondContact O-N 3.33Å; L458-Q460 VanDerWaalsContact C-N 3.3Å; L458-Q460 HydrophobicContact CB-CG 3.8Å; L458-Q460 PolarHBondContact O-N 3.31Å
459R92.2Very high90.1Very high62 Ų6269 Ų6923%0.23434%0.337CS..THydrogen-bonded Turntrans6039.4-176.8-54.6174.254.6-163.4-8.6112.6P247 F248 D321 H325 Q455 V456 Y457P247-R459 HydrophobicContact CB-CG 4.17Å; F248-R459 HydrophobicContact CE1-CG 4.31Å; D321-R459 IonicContact OD1-NH2 3.23Å; D321-R459 IonicContact OD2-CZ 2.81Å; D321-R459 IonicContact OD2-NH1 2.7Å; D321-R459 IonicContact OD2-NH2 3.67Å; D321-R459 PolarHBondContact OD2-NH2 2.73Å; H325-R459 VanDerWaalsContact CB-NH2 3.31Å; H325-R459 PolarHBondContact CD2-NH2 3.06Å; H325-R459 PolarHBondContact CE1-O 3.18Å; H325-R459 VanDerWaalsContact CE1-O 3.3Å; H325-R459 VanDerWaalsContact CG-NH2 3.33Å; H325-R459 PolarHBondContact NE2-O 3.03Å; Q455-R459 PolarHBondContact O-N 2.68Å; V456-R459 WeakPolarHBondContact O-CA 3.42Å; V456-R459 PolarHBondContact O-N 3.21Å; Y457-R459 PolarHBondContact O-N 3.24Å
460Q90.6Very high88.7Confident93 Ų9363.5 Ų63.544%0.43532%0.324SS..  trans-92.6-18.5179.2-71.6-179.7-7.700113.2Q455 L458 K462Q455-Q460 HydrophobicContact CB-CB 4.31Å; Q455-Q460 PolarHBondContact O-N 3.41Å; L458-Q460 VanDerWaalsContact C-N 3.3Å; L458-Q460 HydrophobicContact CB-CG 3.8Å; L458-Q460 PolarHBondContact O-N 3.31Å; Q460-K462 PolarHBondContact O-N 2.9Å
461L91.1Very high87.7Confident37 Ų3764.6 Ų64.619%0.19432%0.319CS..SBendtrans-66134.8173.2-62.2-169.3000110.3F291 H325 I451 Q455 V456 P463F291-L461 HydrophobicContact CD2-CB 4.09Å; F291-L461 HydrophobicContact CE2-CB 3.86Å; H325-L461 PolarHBondContact CE1-O 2.62Å; I451-L461 HydrophobicContact CD1-CD1 4.1Å; Q455-L461 HydrophobicContact CB-CD2 3.86Å; Q455-L461 HydrophobicContact CB-CG 4.22Å; V456-L461 HydrophobicContact CB-CD1 4.47Å; V456-L461 HydrophobicContact CG2-CD1 3.49Å; V456-L461 VanDerWaalsContact CG2-CD1 3.49Å; V456-L461 HydrophobicContact CG2-CG 4.31Å; L461-P463 VanDerWaalsContact O-CD 3.27Å; L461-P463 WeakPolarHBondContact O-CD 3.06Å
462K93.3Very high86.5Confident188 Ų18864.7 Ų64.782%0.81732%0.321SS*.PPolyproline II helixtrans-68.8121.8178.1-175.8-176.4175.8-172.10110.2Q460Q460-K462 PolarHBondContact O-N 2.9Å
463P94.3Very high85.4Confident15 Ų1562.2 Ų62.210%0.09731%0.308CS..PPolyproline II helixtrans-66.9145.8177.6-25.639.4000112.4F291 N323 H325 L461F291-P463 HydrophobicContact CE1-CB 3.93Å; F291-P463 HydrophobicContact CE1-CG 4.29Å; F291-P463 HydrophobicContact CE2-CB 4.3Å; F291-P463 HydrophobicContact CE2-CG 4.14Å; F291-P463 HydrophobicContact CZ-CB 3.72Å; F291-P463 HydrophobicContact CZ-CG 3.62Å; N323-P463 VanDerWaalsContact O-CG 3.28Å; N323-P463 WeakPolarHBondContact O-CG 3.21Å; H325-P463 WeakPolarHBondContact NE2-CG 3.04Å; L461-P463 VanDerWaalsContact O-CD 3.27Å; L461-P463 WeakPolarHBondContact O-CD 3.06Å
464P93.1Very high84.1Confident49 Ų4961 Ų6132%0.31831%0.308SS..SBendtrans-70.8-33.6-179.627-33.4000112.4E288 F291 Y292E288-P464 HydrophobicContact CB-CB 3.73Å; E288-P464 HydrophobicContact CB-CG 3.98Å; E288-P464 HydrophobicContact CG-CB 3.61Å; E288-P464 HydrophobicContact CG-CG 4.42Å; F291-P464 HydrophobicContact CB-CG 4.32Å; F291-P464 HydrophobicContact CD1-CG 4.04Å; F291-P464 HydrophobicContact CG-CG 4.32Å; Y292-P464 HydrophobicContact CD2-CG 4.4Å; Y292-P464 HydrophobicContact CE1-CG 4.38Å; Y292-P464 HydrophobicContact CE2-CG 3.64Å
465L89.8Confident83Confident23 Ų2359.9 Ų59.912%0.1231%0.311CS..  trans-123.9121.6176.9-176.1154.7000109H277 H281 Y292 L320 G324 P467H277-L465 HydrophobicContact CB-CD1 4.22Å; H281-L465 HydrophobicContact CB-CD1 4.28Å; Y292-L465 WeakPolarHBondContact OH-CB 3.41Å; L320-L465 HydrophobicContact CD2-CD2 4.01Å; G324-L465 VanDerWaalsContact CA-O 3.31Å; G324-L465 WeakPolarHBondContact CA-O 3.43Å; L465-P467 HydrophobicContact CD2-CG 4.15Å
466V90Very high81.7Confident77 Ų7761.5 Ų61.547%0.46732%0.322SS..PPolyproline II helixtrans-103.5117.2169.7-178.10000107.4
467P85.5Confident80Confident3 Ų363.2 Ų63.22%0.01934%0.336CS..PPolyproline II helixtrans-57.5141.1180-25.935.3000111.7L320 L465 R469 N473L320-P467 HydrophobicContact CB-CG 4.33Å; L320-P467 HydrophobicContact CD2-CG 4.21Å; L465-P467 HydrophobicContact CD2-CG 4.15Å; P467-R469 PolarHBondContact O-N 3.39Å; P467-N473 HydrophobicContact CB-CB 4.42Å; P467-N473 VanDerWaalsContact CB-ND2 3.35Å; P467-N473 WeakPolarHBondContact CB-ND2 3.47Å
468P79.8Confident78.4Confident61 Ų6168.4 Ų68.440%0.39636%0.36SS..PPolyproline II helixtrans-51.1130.1177.3-27.834.1000112.3E471 N473P468-E471 HydrophobicContact CB-CB 4.18Å; P468-E471 HydrophobicContact CB-CG 4.09Å; P468-E471 WeakPolarHBondContact CB-OE2 3.34Å; P468-N473 WeakPolarHBondContact CD-OD1 3.17Å; P468-N473 PolarHBondContact O-ND2 3.16Å
469R73.8Confident77.2Confident188 Ų18871.2 Ų71.271%0.70938%0.376SS*.THydrogen-bonded Turntrans-79.5140.5175.6-69.4-175176-177-0.1109.8P467 E471P467-R469 PolarHBondContact O-N 3.39Å; R469-E471 PolarHBondContact O-N 3.24Å
470G66.3Low76Confident51 Ų5169.4 Ų69.453%0.52637%0.37SS..THydrogen-bonded Turntrans81.22.1-178.300000113.8L14L14-G470 WeakPolarHBondContact CD1-O 3.47Å
471E71.9Confident74.9Confident114 Ų11466.3 Ų66.353%0.53336%0.363SS..SBendtrans-107.7148.9169.5-65.7178.7-16200108.9P468 R469 N473P468-E471 HydrophobicContact CB-CB 4.18Å; P468-E471 HydrophobicContact CB-CG 4.09Å; P468-E471 WeakPolarHBondContact CB-OE2 3.34Å; R469-E471 PolarHBondContact O-N 3.24Å; E471-N473 PolarHBondContact O-N 3.07Å
472V69.3Low74.1Confident27 Ų2771.3 Ų71.316%0.16439%0.39CS..  trans-89.1105.9168.8-171.30000107.9D10 Y13 L14 R189 A474D10-V472 HydrophobicContact CB-CG2 4.11Å; Y13-V472 HydrophobicContact CD1-CG1 4.46Å; Y13-V472 HydrophobicContact CD1-CG2 4.09Å; Y13-V472 HydrophobicContact CE1-CG1 4.25Å; L14-V472 HydrophobicContact CD1-CG2 4.37Å; L14-V472 HydrophobicContact CD2-CG2 4.32Å; L14-V472 HydrophobicContact CG-CG2 4.22Å; R189-V472 VanDerWaalsContact NH2-CG1 3.3Å; V472-A474 HydrophobicContact CG1-CB 4.13Å; V472-A474 PolarHBondContact O-N 3.09Å
473N69.7Low73.4Confident9 Ų965 Ų655%0.04836%0.362CS..  trans-77.441.5-178.7-55.2-67.1000112.2N270 G272 P467 P468 E471N270-N473 WeakPolarHBondContact O-CB 3.32Å; N270-N473 PolarHBondContact O-ND2 3.09Å; G272-N473 WeakPolarHBondContact CA-O 3.46Å; G272-N473 PolarHBondContact N-O 3.43Å; G272-N473 VanDerWaalsContact N-O 3.17Å; P467-N473 HydrophobicContact CB-CB 4.42Å; P467-N473 VanDerWaalsContact CB-ND2 3.35Å; P467-N473 WeakPolarHBondContact CB-ND2 3.47Å; P468-N473 WeakPolarHBondContact CD-OD1 3.17Å; P468-N473 PolarHBondContact O-ND2 3.16Å; E471-N473 PolarHBondContact O-N 3.07Å
474A66.5Low72.8Confident21 Ų2168.7 Ų68.717%0.17438%0.381CS..SBendtrans-122.9163.7171.300000107.7I191 V472 D476I191-A474 WeakPolarHBondContact O-CB 3.17Å; V472-A474 HydrophobicContact CG1-CB 4.13Å; V472-A474 PolarHBondContact O-N 3.09Å; A474-D476 PolarHBondContact O-N 3.48Å
475A62.1Low72.3Confident49 Ų4974.2 Ų74.241%0.40540%0.403SS..  trans-50.9144.6168.700000110R189 A477 D479 I480R189-A475 PolarHBondContact NH2-O 2.85Å; A475-A477 PolarHBondContact O-N 2.81Å; A475-D479 HydrophobicContact CB-CB 4.22Å; A475-I480 HydrophobicContact CB-CG1 3.85Å
476D62.3Low72.1Confident98 Ų9877.9 Ų77.952%0.52442%0.423SS..  trans-52.7142.8174.7-78.8-33.2000109.1A474 F478 D479 I480A474-D476 PolarHBondContact O-N 3.48Å; D476-F478 CarbonylContact O-C 3.39Å; D476-F478 PolarHBondContact O-N 3.41Å; D476-D479 HydrophobicContact CB-CB 4.33Å; D476-D479 WeakPolarHBondContact O-CA 3.29Å; D476-D479 PolarHBondContact O-N 3.24Å; D476-I480 WeakPolarHBondContact O-CG1 3.39Å; D476-I480 PolarHBondContact O-N 2.98Å
477A58.7Low71.8Confident37 Ų3778 Ų7831%0.30642%0.421SS..THydrogen-bonded Turntrans-53.5-28.6-179.100000111.8A475A475-A477 PolarHBondContact O-N 2.81Å
478F57.9Low72Confident178 Ų17878.6 Ų78.678%0.78143%0.425SS*.THydrogen-bonded Turntrans-69.4-42.5173-164.9-97.2000113.5D476 I480 G481D476-F478 CarbonylContact O-C 3.39Å; D476-F478 PolarHBondContact O-N 3.41Å; F478-I480 VanDerWaalsContact C-N 3.34Å; F478-G481 WeakPolarHBondContact O-CA 3.44Å; F478-G481 PolarHBondContact O-N 3.2Å; F478-G481 VanDerWaalsContact O-N 3.08Å
479D63.5Low72.3Confident116 Ų11683.3 Ų83.362%0.6244%0.439SS*.THydrogen-bonded Turntrans-73.1-25.8-179.3-73.5-14000113.1A475 D476 G481A475-D479 HydrophobicContact CB-CB 4.22Å; D476-D479 HydrophobicContact CB-CB 4.33Å; D476-D479 WeakPolarHBondContact O-CA 3.29Å; D476-D479 PolarHBondContact O-N 3.24Å; D479-G481 PolarHBondContact O-N 3.42Å
480I67Low73Confident24 Ų2477.8 Ų77.812%0.12344%0.44CS..THydrogen-bonded Turntrans-60.9-23.9170.1-62.1177000110.6I190 R193 A475 D476 F478I190-I480 HydrophobicContact CB-CD1 4.46Å; I190-I480 HydrophobicContact CG2-CD1 3.84Å; I190-I480 HydrophobicContact CG2-CG2 4.11Å; R193-I480 HydrophobicContact CB-CG2 3.41Å; R193-I480 VanDerWaalsContact CB-CG2 3.41Å; R193-I480 WeakPolarHBondContact CD-O 3.49Å; R193-I480 HydrophobicContact CG-CG2 4.46Å; R193-I480 PolarHBondContact NH1-O 3.48Å; A475-I480 HydrophobicContact CB-CG1 3.85Å; D476-I480 WeakPolarHBondContact O-CG1 3.39Å; D476-I480 PolarHBondContact O-N 2.98Å; F478-I480 VanDerWaalsContact C-N 3.34Å
481G67Low74.2Confident27 Ų2777.4 Ų77.428%0.27843%0.426SS..  trans76.6-174.6-177.900000112.6R193 F478 D479R193-G481 VanDerWaalsContact CZ-C 3.45Å; R193-G481 PolarHBondContact NH1-O 3.15Å; R193-G481 PolarHBondContact NH2-O 2.81Å; F478-G481 WeakPolarHBondContact O-CA 3.44Å; F478-G481 PolarHBondContact O-N 3.2Å; F478-G481 VanDerWaalsContact O-N 3.08Å; D479-G481 PolarHBondContact O-N 3.42Å
482N74.8Confident75.3Confident143 Ų14380.4 Ų80.477%0.76544%0.437SS*.  trans-118.6146.7169.9-77-23.5000111.5R193R193-N482 VanDerWaalsContact NH1-CA 3.34Å; R193-N482 PolarHBondContact NH1-O 2.9Å; R193-N482 VanDerWaalsContact NH2-C 3.29Å
483F79.1Confident76.4Confident54 Ų5481.3 Ų81.324%0.23744%0.441CS..  trans-78129.3169.5-75.8-49.2000108.7R193 G194 E198 R220 E485R193-F483 HydrophobicContact CG-CE1 4.16Å; R193-F483 HydrophobicContact CG-CE2 4.21Å; R193-F483 HydrophobicContact CG-CZ 3.73Å; R193-F483 VanDerWaalsContact NH2-N 3.12Å; G194-F483 WeakPolarHBondContact O-CZ 3.3Å; E198-F483 HydrophobicContact CG-CD2 3.94Å; E198-F483 HydrophobicContact CG-CE2 3.62Å; R220-F483 VanDerWaalsContact NH1-CD2 3.33Å; F483-E485 PolarHBondContact O-N 2.76Å
484D81.2Confident77.6Confident93 Ų9383.3 Ų83.350%0.49746%0.456SS..  trans-70.3116.5174.7-164.4-19.3000109.4D486 D487D484-D486 PolarHBondContact O-N 2.83Å; D484-D486 WeakPolarHBondContact OD1-CB 3.41Å; D484-D486 PolarHBondContact OD1-N 2.77Å; D484-D487 WeakPolarHBondContact O-CB 3.31Å; D484-D487 PolarHBondContact O-N 3.3Å
485E82Confident78.8Confident166 Ų16690.5 Ų90.578%0.77649%0.485SS*.G310 helixtrans-66.3-23177.5-68.6-165.416400111.9F483 D487 V488 K489F483-E485 PolarHBondContact O-N 2.76Å; E485-D487 PolarHBondContact O-N 2.68Å; E485-V488 WeakPolarHBondContact O-CG2 3.25Å; E485-V488 PolarHBondContact O-N 3.14Å; E485-K489 PolarHBondContact O-N 3.44Å
486D85.5Confident80.3Confident99 Ų9994.4 Ų94.453%0.52950%0.5SS..G310 helixtrans-66.9-24.3177.2-75.2-36.9000111.9D484 V488 K489D484-D486 PolarHBondContact O-N 2.83Å; D484-D486 WeakPolarHBondContact OD1-CB 3.41Å; D484-D486 PolarHBondContact OD1-N 2.77Å; D486-V488 PolarHBondContact O-N 3.2Å; D486-K489 PolarHBondContact O-N 3.41Å; D486-K489 WeakPolarHBondContact OD1-CD 3.41Å; D486-K489 IonicContact OD1-NZ 3.2Å; D486-K489 PolarHBondContact OD1-NZ 2.7Å
487D84.5Confident81.9Confident81 Ų8190.8 Ų90.843%0.43348%0.48SS..G310 helixtrans-56.3-33.5174.7-76-18.3000112.6R220 D484 E485R220-D487 IonicContact CZ-OD2 3.41Å; R220-D487 IonicContact NE-OD2 2.73Å; R220-D487 IonicContact NH2-OD2 3.66Å; R220-D487 PolarHBondContact NH2-OD2 3.35Å; D484-D487 WeakPolarHBondContact O-CB 3.31Å; D484-D487 PolarHBondContact O-N 3.3Å; E485-D487 PolarHBondContact O-N 2.68Å
488V88.3Confident83.4Confident15 Ų1592 Ų929%0.09148%0.482CS..G310 helixtrans-112.4-1-170.3-64.90000113.4K219 E485 D486 G490 I491K219-V488 HydrophobicContact CB-CB 3.9Å; K219-V488 HydrophobicContact CB-CG1 3.99Å; K219-V488 HydrophobicContact CD-CB 4.09Å; K219-V488 HydrophobicContact CD-CG2 4.34Å; E485-V488 WeakPolarHBondContact O-CG2 3.25Å; E485-V488 PolarHBondContact O-N 3.14Å; D486-V488 PolarHBondContact O-N 3.2Å; V488-G490 PolarHBondContact O-N 3.37Å; V488-I491 PolarHBondContact O-N 3.3Å
489K86.1Confident85.2Confident160 Ų16088.8 Ų88.870%0.69647%0.469SS*.THydrogen-bonded Turntrans-59.3-31-173.6-163.8176.4-160.9160.30113.9E485 D486E485-K489 PolarHBondContact O-N 3.44Å; D486-K489 PolarHBondContact O-N 3.41Å; D486-K489 WeakPolarHBondContact OD1-CD 3.41Å; D486-K489 IonicContact OD1-NZ 3.2Å; D486-K489 PolarHBondContact OD1-NZ 2.7Å
490G89Confident86.6Confident72 Ų7287.5 Ų87.574%0.74246%0.461SS*.THydrogen-bonded Turntrans-86.8-9.5176.900000115.2V488V488-G490 PolarHBondContact O-N 3.37Å
491I92.2Very high88Confident42 Ų4286.6 Ų86.622%0.21546%0.457CS..  trans-91.3120.3-172.7-55.6-60.3000110.2K219 K222 L223 V488K219-I491 HydrophobicContact CB-CB 4.18Å; K219-I491 HydrophobicContact CB-CG2 3.97Å; K219-I491 WeakPolarHBondContact CE-O 3.29Å; K219-I491 HydrophobicContact CG-CB 4.46Å; K219-I491 HydrophobicContact CG-CG2 4.25Å; K222-I491 HydrophobicContact CB-CG2 4.29Å; K222-I491 HydrophobicContact CD-CG2 3.91Å; K222-I491 HydrophobicContact CG-CG2 4.21Å; L223-I491 HydrophobicContact CB-CG1 4.46Å; L223-I491 HydrophobicContact CD1-CD1 4.07Å; L223-I491 HydrophobicContact CD1-CG1 4.31Å; V488-I491 PolarHBondContact O-N 3.3Å
492K93.6Very high89.3Confident177 Ų17792.1 Ų92.177%0.7747%0.473SS*.  trans-106.5140172.5-63.8-174.6-178.7-178.90110.6K222K222-K492 PolarHBondContact NZ-O 3.16Å
493L94Very high90.2Very high46 Ų4690 Ų9024%0.24147%0.469CS..  trans-87.5125.6171.4-59.4172.7000108.6K218 K219 K222 P259 D497K218-L493 HydrophobicContact CB-CD1 3.74Å; K218-L493 HydrophobicContact CB-CD2 3.88Å; K218-L493 HydrophobicContact CB-CG 4.48Å; K218-L493 HydrophobicContact CD-CD1 4.1Å; K219-L493 HydrophobicContact CG-CD1 4.46Å; K219-L493 HydrophobicContact CG-CD2 4.39Å; K219-L493 HydrophobicContact CG-CG 4.24Å; K222-L493 HydrophobicContact CD-CD2 4.39Å; P259-L493 WeakPolarHBondContact O-CD1 3.15Å; L493-D497 HydrophobicContact CD2-CB 4.42Å
494S94Very high91Very high52 Ų5287.4 Ų87.436%0.36446%0.458SS..  trans-93.5169.2174.967.60000110.7N496 D497 N498S494-N496 VanDerWaalsContact C-N 3.27Å; S494-N496 PolarHBondContact O-N 2.96Å; S494-D497 WeakPolarHBondContact CA-OD2 3.48Å; S494-D497 WeakPolarHBondContact CB-OD2 3.48Å; S494-D497 PolarHBondContact N-OD2 3.1Å; S494-D497 WeakPolarHBondContact O-CB 3.49Å; S494-D497 PolarHBondContact O-N 3.43Å; S494-D497 VanDerWaalsContact O-N 3.17Å; S494-D497 PolarHBondContact OG-N 3.26Å; S494-D497 PolarHBondContact OG-OD2 3.2Å; S494-N498 PolarHBondContact O-N 3.46Å; S494-N498 PolarHBondContact O-ND2 2.88Å
495E93Very high91.8Very high171 Ų17187 Ų8780%0.79946%0.456SS*.Hα-helixtrans-60-38.8173.4-67.4180173.700111.9D497 N498 E499E495-D497 VanDerWaalsContact C-N 3.29Å; E495-D497 PolarHBondContact O-N 3.41Å; E495-N498 PolarHBondContact O-N 2.79Å; E495-N498 VanDerWaalsContact O-N 3.08Å; E495-E499 PolarHBondContact O-N 3.21Å
496N93.5Very high92.5Very high132 Ų13281.3 Ų81.371%0.70643%0.43SS*.Hα-helixtrans-60.7-38175.3-71-5.2000112.1S494 N498 E499 L500S494-N496 VanDerWaalsContact C-N 3.27Å; S494-N496 PolarHBondContact O-N 2.96Å; N496-N498 VanDerWaalsContact C-N 3.29Å; N496-N498 PolarHBondContact O-N 3.23Å; N496-E499 PolarHBondContact O-N 2.68Å; N496-L500 PolarHBondContact O-N 3.43Å
497D94.1Very high93Very high22 Ų2278.4 Ų78.412%0.11842%0.416CS..Hα-helixtrans-66.1-35.1176.7-56.8-55.7000111.2K222 L493 S494 E495 Y501K222-D497 IonicContact NZ-OD1 2.65Å; K222-D497 PolarHBondContact NZ-OD1 2.63Å; K222-D497 IonicContact NZ-OD2 2.69Å; K222-D497 PolarHBondContact NZ-OD2 3.32Å; L493-D497 HydrophobicContact CD2-CB 4.42Å; S494-D497 WeakPolarHBondContact CA-OD2 3.48Å; S494-D497 WeakPolarHBondContact CB-OD2 3.48Å; S494-D497 PolarHBondContact N-OD2 3.1Å; S494-D497 WeakPolarHBondContact O-CB 3.49Å; S494-D497 PolarHBondContact O-N 3.43Å; S494-D497 VanDerWaalsContact O-N 3.17Å; S494-D497 PolarHBondContact OG-N 3.26Å; S494-D497 PolarHBondContact OG-OD2 3.2Å; E495-D497 VanDerWaalsContact C-N 3.29Å; E495-D497 PolarHBondContact O-N 3.41Å; D497-Y501 WeakPolarHBondContact O-CD2 3.45Å; D497-Y501 VanDerWaalsContact O-CE2 3.24Å; D497-Y501 WeakPolarHBondContact O-CE2 3.09Å
498N92.1Very high93.6Very high62 Ų6274.8 Ų74.833%0.33240%0.397SS..Hα-helixtrans-74.7-35.8177.5-72.4-45000112.6S494 E495 N496 L500 Y501 K502S494-N498 PolarHBondContact O-N 3.46Å; S494-N498 PolarHBondContact O-ND2 2.88Å; E495-N498 PolarHBondContact O-N 2.79Å; E495-N498 VanDerWaalsContact O-N 3.08Å; N496-N498 VanDerWaalsContact C-N 3.29Å; N496-N498 PolarHBondContact O-N 3.23Å; N498-L500 PolarHBondContact O-N 3.34Å; N498-Y501 PolarHBondContact O-N 3.45Å; N498-K502 PolarHBondContact O-N 2.87Å
499E94Very high94Very high110 Ų11075.8 Ų75.851%0.51441%0.405SS..Hα-helixtrans-62.7-31.5178.4-168.365.3-165.500111.7E495 N496 Y501 K502E495-E499 PolarHBondContact O-N 3.21Å; N496-E499 PolarHBondContact O-N 2.68Å; E499-Y501 PolarHBondContact O-N 3.43Å; E499-Y501 VanDerWaalsContact O-N 3.13Å; E499-K502 WeakPolarHBondContact O-CB 3.45Å; E499-K502 PolarHBondContact O-N 3.15Å; E499-K502 VanDerWaalsContact O-N 3.14Å; E499-K502 WeakPolarHBondContact OE1-CD 3.31Å; E499-K502 IonicContact OE1-NZ 2.84Å; E499-K502 PolarHBondContact OE1-NZ 3.21Å; E499-K502 IonicContact OE2-NZ 3.05Å
500L94.5Very high94.3Very high89 Ų8972.6 Ų72.647%0.46639%0.392SS..THydrogen-bonded Turntrans-55.2-30.3172.8-68.4173.7000113E227 N496 N498E227-L500 HydrophobicContact CB-CD1 4.46Å; E227-L500 HydrophobicContact CG-CD1 4.07Å; N496-L500 PolarHBondContact O-N 3.43Å; N498-L500 PolarHBondContact O-N 3.34Å
501Y96Very high94.7Very high6 Ų670.4 Ų70.42%0.02436%0.361CS..THydrogen-bonded Turntrans-103.58.3-176.1-53.5-59.6000113.2K218 I221 E227 L231 Q257 L262 D497 N498 E499 S503 F504K218-Y501 HydrophobicContact CD-CD2 4.29Å; K218-Y501 HydrophobicContact CD-CE2 4.31Å; K218-Y501 HydrophobicContact CG-CE2 4.23Å; I221-Y501 WeakPolarHBondContact CG2-OH 3.48Å; E227-Y501 WeakPolarHBondContact CG-OH 3.22Å; L231-Y501 HydrophobicContact CD2-CD1 3.95Å; L231-Y501 HydrophobicContact CD2-CE1 4.37Å; L231-Y501 HydrophobicContact CG-CD1 4.38Å; L231-Y501 HydrophobicContact CG-CE1 4.32Å; Q257-Y501 PolarHBondContact NE2-O 3.01Å; L262-Y501 HydrophobicContact CD1-CD1 3.77Å; L262-Y501 HydrophobicContact CD1-CE1 3.52Å; L262-Y501 HydrophobicContact CD1-CG 4.48Å; L262-Y501 HydrophobicContact CD2-CD1 3.82Å; L262-Y501 HydrophobicContact CD2-CD2 4.23Å; L262-Y501 HydrophobicContact CD2-CE1 4.32Å; L262-Y501 HydrophobicContact CD2-CG 3.78Å; L262-Y501 HydrophobicContact CG-CD1 4.4Å; L262-Y501 HydrophobicContact CG-CE1 4.44Å; D497-Y501 WeakPolarHBondContact O-CD2 3.45Å; D497-Y501 VanDerWaalsContact O-CE2 3.24Å; D497-Y501 WeakPolarHBondContact O-CE2 3.09Å; N498-Y501 PolarHBondContact O-N 3.45Å; E499-Y501 PolarHBondContact O-N 3.43Å; E499-Y501 VanDerWaalsContact O-N 3.13Å; Y501-S503 PolarHBondContact O-N 3.19Å; Y501-S503 VanDerWaalsContact O-N 3.16Å; Y501-F504 WeakPolarHBondContact O-CB 3.28Å; Y501-F504 PolarHBondContact O-N 3.05Å
502K93.6Very high94.9Very high142 Ų14268.7 Ų68.762%0.61735%0.352SS*.THydrogen-bonded Turntrans-54.7-38-175.8-179.5171.2177174.60114.1N498 E499N498-K502 PolarHBondContact O-N 2.87Å; E499-K502 WeakPolarHBondContact O-CB 3.45Å; E499-K502 PolarHBondContact O-N 3.15Å; E499-K502 VanDerWaalsContact O-N 3.14Å; E499-K502 WeakPolarHBondContact OE1-CD 3.31Å; E499-K502 IonicContact OE1-NZ 2.84Å; E499-K502 PolarHBondContact OE1-NZ 3.21Å; E499-K502 IonicContact OE2-NZ 3.05Å
503S93.8Very high95.1Very high98 Ų9860.4 Ų60.469%0.68532%0.316SS*.THydrogen-bonded Turntrans-97.721.1177.8-49.30000113.2Y501Y501-S503 PolarHBondContact O-N 3.19Å; Y501-S503 VanDerWaalsContact O-N 3.16Å
504F96.7Very high95.1Very high0 Ų061.6 Ų61.60%032%0.321CS..  trans-73.5-35.8-179.6-173.5-90.7000112.2L231 R234 A255 F256 Q257 L262 F264 Y501 I506L231-F504 HydrophobicContact CD2-CD2 4.34Å; R234-F504 HydrophobicContact CB-CD2 4.37Å; R234-F504 HydrophobicContact CB-CE2 3.99Å; R234-F504 WeakPolarHBondContact CD-O 3.36Å; R234-F504 HydrophobicContact CG-CD2 4.23Å; R234-F504 HydrophobicContact CG-CE2 4.07Å; A255-F504 HydrophobicContact CB-CD1 4.2Å; A255-F504 HydrophobicContact CB-CE1 3.66Å; A255-F504 HydrophobicContact CB-CZ 4.06Å; F256-F504 VanDerWaalsContact O-CE1 3.3Å; F256-F504 WeakPolarHBondContact O-CE1 3.47Å; Q257-F504 HydrophobicContact CB-CD1 4.28Å; L262-F504 HydrophobicContact CB-CE1 3.97Å; L262-F504 HydrophobicContact CB-CE2 4.1Å; L262-F504 HydrophobicContact CB-CZ 3.67Å; L262-F504 HydrophobicContact CD1-CD2 4.26Å; L262-F504 HydrophobicContact CD1-CE2 3.92Å; L262-F504 HydrophobicContact CD1-CZ 4.35Å; L262-F504 HydrophobicContact CD2-CD1 4.07Å; L262-F504 HydrophobicContact CD2-CD2 4.08Å; L262-F504 HydrophobicContact CD2-CE1 4.21Å; L262-F504 HydrophobicContact CD2-CE2 4.23Å; L262-F504 HydrophobicContact CD2-CG 4.02Å; L262-F504 HydrophobicContact CD2-CZ 4.3Å; L262-F504 HydrophobicContact CG-CE2 4.31Å; L262-F504 HydrophobicContact CG-CZ 4.33Å; F264-F504 HydrophobicContact CD1-CZ 4.25Å; F264-F504 HydrophobicContact CD2-CZ 4.35Å; F264-F504 HydrophobicContact CE1-CE2 4.01Å; F264-F504 AromaticContact CE1-CZ 3.67Å; F264-F504 HydrophobicContact CE1-CZ 3.67Å; F264-F504 HydrophobicContact CE2-CE2 4.3Å; F264-F504 AromaticContact CE2-CZ 3.78Å; F264-F504 HydrophobicContact CE2-CZ 3.78Å; F264-F504 AromaticContact CZ-CE2 3.64Å; F264-F504 HydrophobicContact CZ-CE2 3.64Å; F264-F504 AromaticContact CZ-CZ 3.42Å; F264-F504 HydrophobicContact CZ-CZ 3.42Å; F264-F504 VanDerWaalsContact CZ-CZ 3.42Å; Y501-F504 WeakPolarHBondContact O-CB 3.28Å; Y501-F504 PolarHBondContact O-N 3.05Å; F504-I506 PolarHBondContact O-N 3.36Å
505N96.7Very high95.1Very high85 Ų8559.1 Ų59.146%0.45530%0.303SS..  trans-66127.7-178.7-66.39.7000110.2A255 F256 Q257A255-N505 CarbonylContact O-C 3.57Å; A255-N505 VanDerWaalsContact O-CA 3.24Å; A255-N505 WeakPolarHBondContact O-CA 3.16Å; F256-N505 WeakPolarHBondContact CA-OD1 3.32Å; Q257-N505 PolarHBondContact N-OD1 3.43Å; Q257-N505 VanDerWaalsContact N-OD1 3.11Å
506I96.5Very high95.2Very high46 Ų4651 Ų5124%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-154144.5177.3-168.8168.8000110.6M252 Y254 A255 F504 I508M252-I506 HydrophobicContact CE-CG2 3.61Å; M252-I506 HydrophobicContact SD-CG2 4.46Å; Y254-I506 CarbonylContact C-O 3.57Å; Y254-I506 WeakPolarHBondContact CA-O 3.46Å; A255-I506 HydrophobicContact CB-CG2 3.86Å; A255-I506 PolarHBondContact N-O 3.36Å; A255-I506 PolarHBondContact O-N 2.77Å; F504-I506 PolarHBondContact O-N 3.36Å; I506-I508 HydrophobicContact CD1-CD1 4.21Å; I506-I508 HydrophobicContact CG1-CD1 4.35Å
507T97.3Very high95.2Very high39 Ų3945.7 Ų45.724%0.23924%0.24CC..EExtended strand (participates in β ladder)trans-119126.4170.1-63.10000108.1L178 Y254 S509 W512L178-T507 HydrophobicContact CD2-CG2 4.14Å; Y254-T507 HydrophobicContact CD1-CG2 3.85Å; Y254-T507 HydrophobicContact CE1-CG2 3.82Å; T507-S509 PolarHBondContact O-N 3.42Å; T507-W512 HydrophobicContact CG2-CB 3.74Å; T507-W512 HydrophobicContact CG2-CG 4.11Å
508I97.3Very high95.1Very high4 Ų449.4 Ų49.42%0.02126%0.259CS..  trans-79.9104.3174.6-55.6-52.1000108.1S241 T242 M252 T253 I506 E510 R511 W512S241-I508 WeakPolarHBondContact O-CG2 3.36Å; T242-I508 HydrophobicContact CG2-CD1 4.17Å; T242-I508 HydrophobicContact CG2-CG2 4.07Å; M252-I508 HydrophobicContact CE-CD1 4Å; M252-I508 HydrophobicContact CE-CG1 4.21Å; M252-I508 VanDerWaalsContact O-CG1 3.23Å; M252-I508 WeakPolarHBondContact O-CG1 3.35Å; T253-I508 PolarHBondContact O-N 3.29Å; I506-I508 HydrophobicContact CD1-CD1 4.21Å; I506-I508 HydrophobicContact CG1-CD1 4.35Å; I508-E510 VanDerWaalsContact C-N 3.34Å; I508-E510 PolarHBondContact O-N 2.88Å; I508-R511 HydrophobicContact CB-CB 4.35Å; I508-R511 HydrophobicContact CB-CG 4.4Å; I508-R511 HydrophobicContact CG2-CB 4.31Å; I508-R511 HydrophobicContact CG2-CG 3.96Å; I508-R511 PolarHBondContact O-N 2.91Å; I508-R511 VanDerWaalsContact O-N 3.1Å; I508-W512 PolarHBondContact O-N 2.65Å
509S95.8Very high95.1Very high37 Ų3747.4 Ų47.426%0.25925%0.249SC..Hα-helixtrans-49.3-50.2-172.6176.40000112.7E175 T507 R511 W512 Q513E175-S509 WeakPolarHBondContact OE1-CB 3.48Å; E175-S509 PolarHBondContact OE1-OG 3.32Å; T507-S509 PolarHBondContact O-N 3.42Å; S509-R511 PolarHBondContact O-N 2.78Å; S509-W512 PolarHBondContact O-N 3.29Å; S509-Q513 WeakPolarHBondContact O-CB 3.44Å; S509-Q513 WeakPolarHBondContact O-CG 3.41Å; S509-Q513 PolarHBondContact O-N 3.09Å; S509-Q513 PolarHBondContact OG-NE2 3.27Å
510E93.6Very high95.1Very high93 Ų9342.6 Ų42.644%0.43523%0.228SC..Hα-helixtrans-60.1-43.3-178.3-66.7162.9162.700112.2G243 I508 Q514G243-E510 WeakPolarHBondContact CA-OE1 3.45Å; G243-E510 WeakPolarHBondContact CA-OE2 3.25Å; G243-E510 PolarHBondContact N-OE1 2.65Å; G243-E510 PolarHBondContact N-OE2 3.34Å; I508-E510 VanDerWaalsContact C-N 3.34Å; I508-E510 PolarHBondContact O-N 2.88Å; E510-Q514 WeakPolarHBondContact O-CB 3.28Å; E510-Q514 PolarHBondContact O-N 3.39Å
511R96Very high95.2Very high26 Ų2638.8 Ų38.810%0.09821%0.208CC..Hα-helixtrans-71.9-38.4180-63-164.790.383.1-1.8112.3D245 M252 T253 D267 I508 S509 E515D245-R511 IonicContact OD1-CZ 2.71Å; D245-R511 IonicContact OD1-NH1 2.84Å; D245-R511 PolarHBondContact OD1-NH1 2.99Å; D245-R511 IonicContact OD1-NH2 3.59Å; M252-R511 WeakPolarHBondContact O-CD 3.3Å; T253-R511 HydrophobicContact CG2-CB 3.8Å; D267-R511 IonicContact OD1-CZ 3.58Å; D267-R511 IonicContact OD1-NE 3.86Å; D267-R511 IonicContact OD1-NH2 3.43Å; D267-R511 PolarHBondContact OD1-NH2 3.31Å; D267-R511 IonicContact OD2-CZ 3.67Å; D267-R511 IonicContact OD2-NH2 2.68Å; D267-R511 PolarHBondContact OD2-NH2 2.98Å; I508-R511 HydrophobicContact CB-CB 4.35Å; I508-R511 HydrophobicContact CB-CG 4.4Å; I508-R511 HydrophobicContact CG2-CB 4.31Å; I508-R511 HydrophobicContact CG2-CG 3.96Å; I508-R511 PolarHBondContact O-N 2.91Å; I508-R511 VanDerWaalsContact O-N 3.1Å; S509-R511 PolarHBondContact O-N 2.78Å; R511-E515 WeakPolarHBondContact O-CB 3.24Å; R511-E515 PolarHBondContact O-N 3.12Å
512W97.1Very high95.1Very high6 Ų643.5 Ų43.52%0.02323%0.233CC..Hα-helixtrans-64.7-47.7173.9175.485.6000110.9L63 W171 E175 Y254 T507 I508 S509 Q514 E515 I516L63-W512 HydrophobicContact CD1-CH2 4.23Å; L63-W512 HydrophobicContact CD1-CZ3 3.81Å; W171-W512 AromaticContact CE3-CH2 3.94Å; W171-W512 HydrophobicContact CE3-CH2 3.94Å; W171-W512 HydrophobicContact CE3-CZ2 4.41Å; E175-W512 HydrophobicContact CB-CE3 3.91Å; E175-W512 HydrophobicContact CB-CH2 3.69Å; E175-W512 HydrophobicContact CB-CZ2 4.31Å; E175-W512 HydrophobicContact CB-CZ3 3.47Å; E175-W512 VanDerWaalsContact CB-CZ3 3.47Å; E175-W512 HydrophobicContact CG-CD2 4.14Å; E175-W512 HydrophobicContact CG-CE3 3.54Å; E175-W512 HydrophobicContact CG-CH2 4.28Å; E175-W512 HydrophobicContact CG-CZ3 3.63Å; Y254-W512 HydrophobicContact CE1-CB 4.31Å; Y254-W512 AromaticContact CE1-CD1 3.76Å; Y254-W512 HydrophobicContact CE1-CG 4.41Å; Y254-W512 VanDerWaalsContact OH-CD1 3.31Å; T507-W512 HydrophobicContact CG2-CB 3.74Å; T507-W512 HydrophobicContact CG2-CG 4.11Å; I508-W512 PolarHBondContact O-N 2.65Å; S509-W512 PolarHBondContact O-N 3.29Å; W512-Q514 VanDerWaalsContact C-N 3.32Å; W512-Q514 PolarHBondContact O-N 3.45Å; W512-E515 WeakPolarHBondContact O-CB 3.3Å; W512-E515 PolarHBondContact O-N 3.42Å; W512-I516 HydrophobicContact CD2-CG1 4.01Å; W512-I516 HydrophobicContact CE3-CG1 4.38Å; W512-I516 HydrophobicContact CH2-CG1 4.2Å; W512-I516 HydrophobicContact CZ2-CD1 4.25Å; W512-I516 HydrophobicContact CZ2-CG1 3.79Å; W512-I516 HydrophobicContact CZ3-CG1 4.46Å; W512-I516 WeakPolarHBondContact O-CG1 3.49Å; W512-I516 PolarHBondContact O-N 3.47Å
513Q96.9Very high95Very high2 Ų240.4 Ų40.41%0.00923%0.226CC..Hα-helixtrans-63.2-39.4178.6-72.4-16719.600112.1K62 L63 E175 S509 I516 A517K62-Q513 HydrophobicContact CB-CB 4.04Å; L63-Q513 HydrophobicContact CD1-CB 4.46Å; L63-Q513 HydrophobicContact CD1-CG 4.08Å; L63-Q513 HydrophobicContact CD2-CB 4.44Å; L63-Q513 HydrophobicContact CG-CB 3.9Å; L63-Q513 HydrophobicContact CG-CG 3.84Å; E175-Q513 PolarHBondContact OE2-NE2 3.28Å; S509-Q513 WeakPolarHBondContact O-CB 3.44Å; S509-Q513 WeakPolarHBondContact O-CG 3.41Å; S509-Q513 PolarHBondContact O-N 3.09Å; S509-Q513 PolarHBondContact OG-NE2 3.27Å; Q513-I516 PolarHBondContact O-N 2.88Å; Q513-A517 VanDerWaalsContact O-CB 3.29Å; Q513-A517 WeakPolarHBondContact O-CB 3.36Å; Q513-A517 PolarHBondContact O-N 3.13Å
514Q93.7Very high95.1Very high72 Ų7236.2 Ų36.234%0.33620%0.196SC..Hα-helixtrans-64.6-43.6175-17358.440.300111.3E510 W512 I516 A517 D518E510-Q514 WeakPolarHBondContact O-CB 3.28Å; E510-Q514 PolarHBondContact O-N 3.39Å; W512-Q514 VanDerWaalsContact C-N 3.32Å; W512-Q514 PolarHBondContact O-N 3.45Å; Q514-I516 PolarHBondContact O-N 3.38Å; Q514-A517 PolarHBondContact O-N 3.31Å; Q514-D518 PolarHBondContact NE2-OD1 2.93Å; Q514-D518 PolarHBondContact NE2-OD2 3.3Å; Q514-D518 WeakPolarHBondContact O-CB 3.39Å; Q514-D518 PolarHBondContact O-N 3.46Å
515E94.7Very high95.1Very high0 Ų036.9 Ų36.90%020%0.2CC..Hα-helixtrans-57.5-47.5172.5169178.3-178.500112.5K204 T207 K209 Y211 Y254 R511 W512 D518 T519K204-E515 WeakPolarHBondContact CD-OE1 3.21Å; T207-E515 VanDerWaalsContact CB-OE1 3.26Å; T207-E515 WeakPolarHBondContact CB-OE1 3.21Å; T207-E515 HydrophobicContact CG2-CG 3.96Å; T207-E515 VanDerWaalsContact CG2-OE1 3.31Å; T207-E515 WeakPolarHBondContact CG2-OE1 3.45Å; T207-E515 PolarHBondContact OG1-OE1 3.34Å; K209-E515 HydrophobicContact CB-CG 4.21Å; K209-E515 HydrophobicContact CD-CB 3.89Å; K209-E515 HydrophobicContact CD-CG 3.53Å; Y211-E515 PolarHBondContact OH-OE2 3.48Å; Y254-E515 PolarHBondContact OH-OE2 2.97Å; R511-E515 WeakPolarHBondContact O-CB 3.24Å; R511-E515 PolarHBondContact O-N 3.12Å; W512-E515 WeakPolarHBondContact O-CB 3.3Å; W512-E515 PolarHBondContact O-N 3.42Å; E515-D518 PolarHBondContact O-N 2.66Å; E515-T519 WeakPolarHBondContact O-CB 3.46Å; E515-T519 VanDerWaalsContact O-CG2 3.3Å; E515-T519 WeakPolarHBondContact O-CG2 3.35Å; E515-T519 PolarHBondContact O-N 2.95Å; E515-T519 PolarHBondContact O-OG1 3.31Å
516I96.4Very high95Very high0 Ų037.9 Ų37.90%020%0.202CC..Hα-helixtrans-61.5-46.6178.2-66.6-56000110.5I32 L63 W171 T207 W512 Q513 Q514 D518 T519 V520 F521I32-I516 HydrophobicContact CD1-CD1 3.73Å; L63-I516 HydrophobicContact CD1-CB 4.46Å; L63-I516 HydrophobicContact CD1-CG2 4.11Å; L63-I516 HydrophobicContact CD2-CB 4.43Å; L63-I516 HydrophobicContact CD2-CG2 4.16Å; W171-I516 HydrophobicContact CE3-CG2 4.13Å; W171-I516 HydrophobicContact CH2-CG2 3.6Å; W171-I516 HydrophobicContact CZ2-CG2 4.23Å; W171-I516 HydrophobicContact CZ3-CD1 4.34Å; W171-I516 HydrophobicContact CZ3-CG1 4.39Å; W171-I516 HydrophobicContact CZ3-CG2 3.56Å; T207-I516 HydrophobicContact CG2-CD1 3.75Å; W512-I516 HydrophobicContact CD2-CG1 4.01Å; W512-I516 HydrophobicContact CE3-CG1 4.38Å; W512-I516 HydrophobicContact CH2-CG1 4.2Å; W512-I516 HydrophobicContact CZ2-CD1 4.25Å; W512-I516 HydrophobicContact CZ2-CG1 3.79Å; W512-I516 HydrophobicContact CZ3-CG1 4.46Å; W512-I516 WeakPolarHBondContact O-CG1 3.49Å; W512-I516 PolarHBondContact O-N 3.47Å; Q513-I516 PolarHBondContact O-N 2.88Å; Q514-I516 PolarHBondContact O-N 3.38Å; I516-D518 VanDerWaalsContact C-N 3.33Å; I516-D518 PolarHBondContact O-N 2.78Å; I516-T519 PolarHBondContact O-N 2.79Å; I516-V520 HydrophobicContact CD1-CG2 3.95Å; I516-V520 HydrophobicContact CG2-CG2 4.43Å; I516-V520 PolarHBondContact O-N 3.2Å; I516-F521 HydrophobicContact CG2-CB 3.99Å; I516-F521 HydrophobicContact CG2-CD2 4.08Å; I516-F521 WeakPolarHBondContact O-CB 3.34Å; I516-F521 PolarHBondContact O-N 3.04Å
517A93.6Very high94.9Very high20 Ų2038.9 Ų38.917%0.16521%0.205CC..Hα-helixtrans-59.6-40.8179.400000112.7K62 L63 L66 Q513 Q514 T519K62-A517 HydrophobicContact CD-CB 4.34Å; K62-A517 VanDerWaalsContact CE-CB 3.48Å; K62-A517 HydrophobicContact CG-CB 3.84Å; L63-A517 HydrophobicContact CD2-CB 4.13Å; L66-A517 HydrophobicContact CD1-CB 3.94Å; Q513-A517 VanDerWaalsContact O-CB 3.29Å; Q513-A517 WeakPolarHBondContact O-CB 3.36Å; Q513-A517 PolarHBondContact O-N 3.13Å; Q514-A517 PolarHBondContact O-N 3.31Å; A517-T519 VanDerWaalsContact C-N 3.29Å; A517-T519 PolarHBondContact O-N 2.78Å
518D90.5Very high94.8Very high100 Ų10037.7 Ų37.754%0.53520%0.199SC..Hα-helixtrans-80.3-9.8-177.5-65-20.2000113.6Q514 E515 I516Q514-D518 PolarHBondContact NE2-OD1 2.93Å; Q514-D518 PolarHBondContact NE2-OD2 3.3Å; Q514-D518 WeakPolarHBondContact O-CB 3.39Å; Q514-D518 PolarHBondContact O-N 3.46Å; E515-D518 PolarHBondContact O-N 2.66Å; I516-D518 VanDerWaalsContact C-N 3.33Å; I516-D518 PolarHBondContact O-N 2.78Å
519T92.4Very high94.6Very high20 Ų2039.8 Ų39.812%0.12321%0.211CC..Hα-helixtrans-122.2-76.2-172.861.10000112.4P24 A25 E515 I516 A517P24-T519 HydrophobicContact CB-CG2 3.94Å; P24-T519 HydrophobicContact CG-CG2 3.78Å; A25-T519 WeakPolarHBondContact CB-O 3.45Å; E515-T519 WeakPolarHBondContact O-CB 3.46Å; E515-T519 VanDerWaalsContact O-CG2 3.3Å; E515-T519 WeakPolarHBondContact O-CG2 3.35Å; E515-T519 PolarHBondContact O-N 2.95Å; E515-T519 PolarHBondContact O-OG1 3.31Å; I516-T519 PolarHBondContact O-N 2.79Å; A517-T519 VanDerWaalsContact C-N 3.29Å; A517-T519 PolarHBondContact O-N 2.78Å
520V94.3Very high94.5Very high10 Ų1044 Ų446%0.06122%0.224CC..THydrogen-bonded Turntrans-114.9-7.1-159.6-63.40000114.1A25 I32 T207 I516 D522 V523 V524A25-V520 HydrophobicContact CB-CG1 4.01Å; I32-V520 HydrophobicContact CD1-CG2 3.81Å; T207-V520 HydrophobicContact CG2-CG2 4.26Å; I516-V520 HydrophobicContact CD1-CG2 3.95Å; I516-V520 HydrophobicContact CG2-CG2 4.43Å; I516-V520 PolarHBondContact O-N 3.2Å; V520-D522 PolarHBondContact O-N 2.88Å; V520-V523 PolarHBondContact O-N 3.46Å; V520-V524 HydrophobicContact CB-CG2 3.95Å; V520-V524 HydrophobicContact CG2-CG2 4.2Å; V520-V524 WeakPolarHBondContact O-CB 3.42Å; V520-V524 VanDerWaalsContact O-CG2 3.25Å; V520-V524 WeakPolarHBondContact O-CG2 3.37Å; V520-V524 PolarHBondContact O-N 3.28Å
521F95.5Very high94.4Very high9 Ų944.2 Ų44.24%0.03923%0.232CC..Hα-helixtrans-51.2-55.1-172.9-177.1-107.6000113.3L63 L66 L67 W171 I516 V524 N525L63-F521 HydrophobicContact CB-CE2 4.27Å; L63-F521 HydrophobicContact CD1-CD2 4.46Å; L63-F521 HydrophobicContact CD1-CE2 4.44Å; L63-F521 HydrophobicContact CD2-CD2 3.64Å; L63-F521 HydrophobicContact CD2-CE2 3.81Å; L63-F521 HydrophobicContact CD2-CG 4.28Å; L63-F521 HydrophobicContact CG-CE2 4.37Å; L66-F521 HydrophobicContact CB-CE1 3.85Å; L66-F521 HydrophobicContact CB-CZ 4.05Å; L66-F521 HydrophobicContact CD1-CD1 3.92Å; L66-F521 HydrophobicContact CD1-CE1 3.83Å; L66-F521 HydrophobicContact CD1-CZ 4.34Å; L66-F521 HydrophobicContact CG-CE1 4.46Å; L67-F521 HydrophobicContact CD2-CZ 4Å; L67-F521 HydrophobicContact CG-CZ 3.99Å; W171-F521 AromaticContact CD1-CE2 3.95Å; W171-F521 AromaticContact CE2-CD2 3.79Å; W171-F521 AromaticContact CE2-CE2 3.93Å; W171-F521 AromaticContact CZ2-CD2 3.82Å; W171-F521 HydrophobicContact CZ2-CD2 3.82Å; W171-F521 HydrophobicContact CZ2-CE2 4.39Å; W171-F521 AromaticContact NE1-CD2 3.85Å; W171-F521 AromaticContact NE1-CE2 3.51Å; I516-F521 HydrophobicContact CG2-CB 3.99Å; I516-F521 HydrophobicContact CG2-CD2 4.08Å; I516-F521 WeakPolarHBondContact O-CB 3.34Å; I516-F521 PolarHBondContact O-N 3.04Å; F521-V524 PolarHBondContact O-N 3.45Å; F521-N525 WeakPolarHBondContact CD1-ND2 3.48Å; F521-N525 WeakPolarHBondContact CE1-ND2 3.46Å; F521-N525 VanDerWaalsContact CE2-ND2 3.29Å; F521-N525 WeakPolarHBondContact CE2-ND2 3.23Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.28Å; F521-N525 WeakPolarHBondContact O-CB 3.47Å; F521-N525 PolarHBondContact O-N 3.37Å; F521-N525 PolarHBondContact O-ND2 3.46Å; F521-N525 VanDerWaalsContact O-ND2 3.1Å
522D93.8Very high94.1Very high104 Ų10444.5 Ų44.556%0.55623%0.234SC*.Hα-helixtrans-65.2-43.8-177-64.2-30.2000112V520 N525 Q526V520-D522 PolarHBondContact O-N 2.88Å; D522-N525 PolarHBondContact O-N 3.02Å; D522-Q526 WeakPolarHBondContact O-CB 3.3Å; D522-Q526 VanDerWaalsContact O-CG 3.25Å; D522-Q526 WeakPolarHBondContact O-CG 3.15Å; D522-Q526 PolarHBondContact O-N 3.08Å
523V93.3Very high93.7Very high77 Ų7750 Ų5047%0.46726%0.26SS..Hα-helixtrans-64.1-46.9-179.5178.90000110.6V520 Q526 E527V520-V523 PolarHBondContact O-N 3.46Å; V523-Q526 PolarHBondContact O-N 3.11Å; V523-E527 WeakPolarHBondContact O-CG 3.2Å; V523-E527 PolarHBondContact O-N 2.97Å
524V96Very high93.3Very high11 Ų1156.7 Ų56.77%0.06729%0.289CS..Hα-helixtrans-64.8-41.7-180171.90000110.8I32 L34 W171 V520 F521 E527 A528I32-V524 HydrophobicContact CB-CG2 4.13Å; I32-V524 HydrophobicContact CG2-CG1 4.32Å; L34-V524 HydrophobicContact CD1-CG1 4.14Å; L34-V524 HydrophobicContact CD2-CG1 3.93Å; L34-V524 HydrophobicContact CG-CG1 3.75Å; W171-V524 HydrophobicContact CH2-CB 3.88Å; W171-V524 HydrophobicContact CH2-CG1 3.61Å; W171-V524 HydrophobicContact CH2-CG2 4.32Å; W171-V524 HydrophobicContact CZ2-CB 3.88Å; W171-V524 HydrophobicContact CZ2-CG1 3.59Å; V520-V524 HydrophobicContact CB-CG2 3.95Å; V520-V524 HydrophobicContact CG2-CG2 4.2Å; V520-V524 WeakPolarHBondContact O-CB 3.42Å; V520-V524 VanDerWaalsContact O-CG2 3.25Å; V520-V524 WeakPolarHBondContact O-CG2 3.37Å; V520-V524 PolarHBondContact O-N 3.28Å; F521-V524 PolarHBondContact O-N 3.45Å; V524-E527 PolarHBondContact O-N 2.82Å; V524-A528 WeakPolarHBondContact O-CB 3.15Å; V524-A528 PolarHBondContact O-N 3.01Å
525N96.6Very high92.7Very high13 Ų1356.4 Ų56.47%0.0729%0.287CS..Hα-helixtrans-62-47.1176.2-74.7-30.5000112R167 W171 F521 D522 E527 A528 D529R167-N525 VanDerWaalsContact CD-OD1 3.27Å; R167-N525 WeakPolarHBondContact CD-OD1 3.46Å; R167-N525 PolarHBondContact NH1-O 3.26Å; R167-N525 PolarHBondContact NH1-OD1 3.49Å; W171-N525 PolarHBondContact NE1-OD1 2.82Å; F521-N525 WeakPolarHBondContact CD1-ND2 3.48Å; F521-N525 WeakPolarHBondContact CE1-ND2 3.46Å; F521-N525 VanDerWaalsContact CE2-ND2 3.29Å; F521-N525 WeakPolarHBondContact CE2-ND2 3.23Å; F521-N525 WeakPolarHBondContact CZ-ND2 3.28Å; F521-N525 WeakPolarHBondContact O-CB 3.47Å; F521-N525 PolarHBondContact O-N 3.37Å; F521-N525 PolarHBondContact O-ND2 3.46Å; F521-N525 VanDerWaalsContact O-ND2 3.1Å; D522-N525 PolarHBondContact O-N 3.02Å; N525-E527 VanDerWaalsContact C-N 3.28Å; N525-E527 PolarHBondContact O-N 3.33Å; N525-A528 PolarHBondContact O-N 3.07Å; N525-D529 PolarHBondContact O-N 3.26Å
526Q94.7Very high92Very high107 Ų10760.9 Ų60.950%0.531%0.306SS..Hα-helixtrans-61.6-36.8178.2-72.6173.521.800112.6D522 V523 K530D522-Q526 WeakPolarHBondContact O-CB 3.3Å; D522-Q526 VanDerWaalsContact O-CG 3.25Å; D522-Q526 WeakPolarHBondContact O-CG 3.15Å; D522-Q526 PolarHBondContact O-N 3.08Å; V523-Q526 PolarHBondContact O-N 3.11Å; Q526-K530 WeakPolarHBondContact O-CD 3.34Å; Q526-K530 VanDerWaalsContact O-CG 3.23Å; Q526-K530 WeakPolarHBondContact O-CG 2.92Å; Q526-K530 PolarHBondContact O-N 2.91Å; Q526-K530 VanDerWaalsContact O-N 3.16Å
527E94.1Very high91.1Very high67 Ų6765.1 Ų65.131%0.31334%0.341SS..Hα-helixtrans-72.1-41.3176.5-71.1-175133.100112.3K31 V523 V524 N525 K530 V531K31-E527 WeakPolarHBondContact CE-OE2 3.1Å; K31-E527 IonicContact NZ-OE1 3.69Å; K31-E527 PolarHBondContact NZ-OE1 3.29Å; K31-E527 IonicContact NZ-OE2 3.89Å; K31-E527 PolarHBondContact NZ-OE2 3.19Å; V523-E527 WeakPolarHBondContact O-CG 3.2Å; V523-E527 PolarHBondContact O-N 2.97Å; V524-E527 PolarHBondContact O-N 2.82Å; N525-E527 VanDerWaalsContact C-N 3.28Å; N525-E527 PolarHBondContact O-N 3.33Å; E527-K530 PolarHBondContact O-N 3.23Å; E527-V531 WeakPolarHBondContact O-CG2 3.47Å; E527-V531 PolarHBondContact O-N 2.99Å
528A94.9Very high90.1Very high13 Ų1372.9 Ų72.911%0.10737%0.371CS..Hα-helixtrans-59.6-48.217400000110.8L34 V524 N525 K530 V531 E532L34-A528 HydrophobicContact CD1-CB 3.83Å; L34-A528 HydrophobicContact CG-CB 4.38Å; V524-A528 WeakPolarHBondContact O-CB 3.15Å; V524-A528 PolarHBondContact O-N 3.01Å; N525-A528 PolarHBondContact O-N 3.07Å; A528-K530 VanDerWaalsContact C-N 3.32Å; A528-K530 PolarHBondContact O-N 3.07Å; A528-V531 PolarHBondContact O-N 3.16Å; A528-V531 VanDerWaalsContact O-N 3.07Å; A528-E532 WeakPolarHBondContact O-CB 3.33Å; A528-E532 VanDerWaalsContact O-CG 3.31Å; A528-E532 WeakPolarHBondContact O-CG 3.35Å; A528-E532 PolarHBondContact O-N 3.22Å
529D93.8Very high88.5Confident49 Ų4970.8 Ų70.826%0.26236%0.358SS..Hα-helixtrans-53.7-49.6175.1-64.8-17.7000110.3R167 N525 V531 E532 H533R167-D529 IonicContact CZ-OD1 3.75Å; R167-D529 IonicContact NH1-OD1 2.78Å; R167-D529 PolarHBondContact NH1-OD1 2.9Å; R167-D529 IonicContact NH2-OD1 2.65Å; R167-D529 PolarHBondContact NH2-OD1 3.46Å; N525-D529 PolarHBondContact O-N 3.26Å; D529-V531 VanDerWaalsContact C-N 3.32Å; D529-V531 PolarHBondContact O-N 2.91Å; D529-E532 PolarHBondContact O-N 3.44Å; D529-H533 WeakPolarHBondContact O-CB 3.34Å; D529-H533 PolarHBondContact O-N 2.84Å; D529-H533 PolarHBondContact O-ND1 3.21Å
530K93.6Very high86.3Confident125 Ų12580.1 Ų80.154%0.54340%0.397SS..Hα-helixtrans-60.1-38.9178.7-74.3168.4-172.1169.60112.9Q526 E527 A528 K534Q526-K530 WeakPolarHBondContact O-CD 3.34Å; Q526-K530 VanDerWaalsContact O-CG 3.23Å; Q526-K530 WeakPolarHBondContact O-CG 2.92Å; Q526-K530 PolarHBondContact O-N 2.91Å; Q526-K530 VanDerWaalsContact O-N 3.16Å; E527-K530 PolarHBondContact O-N 3.23Å; A528-K530 VanDerWaalsContact C-N 3.32Å; A528-K530 PolarHBondContact O-N 3.07Å; K530-K534 WeakPolarHBondContact O-CB 3.44Å; K530-K534 VanDerWaalsContact O-CG 3.25Å; K530-K534 WeakPolarHBondContact O-CG 3.15Å; K530-K534 PolarHBondContact O-N 3.32Å
531V91Very high84.1Confident98 Ų9882.5 Ų82.559%0.59441%0.409SS*.Hα-helixtrans-70.4-45.1178.9170.90000110.7E527 A528 D529 K534 K535E527-V531 WeakPolarHBondContact O-CG2 3.47Å; E527-V531 PolarHBondContact O-N 2.99Å; A528-V531 PolarHBondContact O-N 3.16Å; A528-V531 VanDerWaalsContact O-N 3.07Å; D529-V531 VanDerWaalsContact C-N 3.32Å; D529-V531 PolarHBondContact O-N 2.91Å; V531-K534 PolarHBondContact O-N 3.29Å; V531-K535 PolarHBondContact O-N 3.43Å
532E90.2Very high81.9Confident32 Ų3286.3 Ų86.315%0.1543%0.433CS..Hα-helixtrans-64.4-45.4-179.9-70.7166.5-173.300111.3P37 R167 Q170 A528 D529 K534 K535 K536P37-E532 HydrophobicContact CG-CG 3.86Å; R167-E532 IonicContact NH2-OE1 3.65Å; R167-E532 IonicContact NH2-OE2 2.78Å; R167-E532 PolarHBondContact NH2-OE2 3.41Å; Q170-E532 PolarHBondContact NE2-OE1 2.84Å; A528-E532 WeakPolarHBondContact O-CB 3.33Å; A528-E532 VanDerWaalsContact O-CG 3.31Å; A528-E532 WeakPolarHBondContact O-CG 3.35Å; A528-E532 PolarHBondContact O-N 3.22Å; D529-E532 PolarHBondContact O-N 3.44Å; E532-K534 VanDerWaalsContact C-N 3.33Å; E532-K534 PolarHBondContact O-N 2.88Å; E532-K535 WeakPolarHBondContact O-CB 3.45Å; E532-K535 PolarHBondContact O-N 2.98Å; E532-K535 VanDerWaalsContact O-N 3.09Å; E532-K536 WeakPolarHBondContact O-CG 3.42Å; E532-K536 PolarHBondContact O-N 3.28Å
533H87.6Confident79.7Confident121 Ų12183.1 Ų83.156%0.5641%0.414SS*.Hα-helixtrans-59.7-42174.6-76.475000112D529 K535 K536 A537D529-H533 WeakPolarHBondContact O-CB 3.34Å; D529-H533 PolarHBondContact O-N 2.84Å; D529-H533 PolarHBondContact O-ND1 3.21Å; H533-K535 VanDerWaalsContact C-N 3.32Å; H533-K535 PolarHBondContact O-N 3.32Å; H533-K536 PolarHBondContact O-N 2.94Å; H533-A537 WeakPolarHBondContact O-CB 3.38Å; H533-A537 PolarHBondContact O-N 3.41Å
534K88Confident77.6Confident143 Ų14384 Ų8462%0.62242%0.416SS*.Hα-helixtrans-64.4-35.9175.1-77.4175-179.3178.60112.3K530 V531 E532 K538K530-K534 WeakPolarHBondContact O-CB 3.44Å; K530-K534 VanDerWaalsContact O-CG 3.25Å; K530-K534 WeakPolarHBondContact O-CG 3.15Å; K530-K534 PolarHBondContact O-N 3.32Å; V531-K534 PolarHBondContact O-N 3.29Å; E532-K534 VanDerWaalsContact C-N 3.33Å; E532-K534 PolarHBondContact O-N 2.88Å; K534-K538 WeakPolarHBondContact O-CG 3.5Å; K534-K538 PolarHBondContact O-N 3.15Å; K534-K538 VanDerWaalsContact O-N 3.17Å
535K82.7Confident75.1Confident66 Ų6690.3 Ų90.329%0.28745%0.449SS..Hα-helixtrans-69.5-47.5177.5-170.2175.7179.4174.10111.1D36 V531 E532 H533 A537 K538 Q539 Y557D36-K535 IonicContact OD2-NZ 2.64Å; D36-K535 PolarHBondContact OD2-NZ 2.84Å; V531-K535 PolarHBondContact O-N 3.43Å; E532-K535 WeakPolarHBondContact O-CB 3.45Å; E532-K535 PolarHBondContact O-N 2.98Å; E532-K535 VanDerWaalsContact O-N 3.09Å; H533-K535 VanDerWaalsContact C-N 3.32Å; H533-K535 PolarHBondContact O-N 3.32Å; K535-A537 PolarHBondContact O-N 3.48Å; K535-K538 PolarHBondContact O-N 3.49Å; K535-Q539 VanDerWaalsContact CG-OE1 3.29Å; K535-Q539 PolarHBondContact O-N 2.9Å; K535-Y557 PolarHBondContact NZ-OH 3.25Å
536K78.3Confident72.7Confident94 Ų9495.1 Ų95.141%0.40947%0.472SS..Hα-helixtrans-57.3-34.9173.9-70.1-170-178.5-160.60112.4E163 E532 H533 D544E163-K536 IonicContact OE1-NZ 3.69Å; E163-K536 PolarHBondContact OE1-NZ 3.28Å; E532-K536 WeakPolarHBondContact O-CG 3.42Å; E532-K536 PolarHBondContact O-N 3.28Å; H533-K536 PolarHBondContact O-N 2.94Å; K536-D544 IonicContact NZ-OD2 2.87Å; K536-D544 PolarHBondContact NZ-OD2 3.28Å
537A78.9Confident70.9Confident88 Ų8892.8 Ų92.873%0.72746%0.461SS*.Hα-helixtrans-75.5-33.7177.100000114.3H533 K535H533-A537 WeakPolarHBondContact O-CB 3.38Å; H533-A537 PolarHBondContact O-N 3.41Å; K535-A537 PolarHBondContact O-N 3.48Å
538K71.1Confident69.1Low183 Ų18397.4 Ų97.480%0.79648%0.48SS*.Hα-helixtrans-82.3-40.5-176.3-78.8-178.7177.5-174.90113.3K534 K535K534-K538 WeakPolarHBondContact O-CG 3.5Å; K534-K538 PolarHBondContact O-N 3.15Å; K534-K538 VanDerWaalsContact O-N 3.17Å; K535-K538 PolarHBondContact O-N 3.49Å
539Q57.9Low67.4Low57 Ų57105.7 Ų105.727%0.26652%0.516SS..SBendtrans-97.4118.7-180-60.3175.6-37.100104.9K535 I541K535-Q539 VanDerWaalsContact CG-OE1 3.29Å; K535-Q539 PolarHBondContact O-N 2.9Å; Q539-I541 HydrophobicContact CB-CB 3.95Å; Q539-I541 HydrophobicContact CB-CD1 3.34Å; Q539-I541 HydrophobicContact CB-CG1 3.5Å; Q539-I541 VanDerWaalsContact CB-CG1 3.5Å; Q539-I541 VanDerWaalsContact CD-CD1 3.49Å; Q539-I541 HydrophobicContact CG-CD1 3.97Å; Q539-I541 PolarHBondContact O-N 3.48Å
540K46.6Very low66.6Low215 Ų215105.4 Ų105.494%0.93552%0.518SS*.  trans-64.263.5166.2-83.8-173.4173.7-176.70108.6T542K540-T542 PolarHBondContact O-N 3.1Å
541I48.5Very low66.5Low61 Ų61103.9 Ų103.931%0.31352%0.516SS..  trans-91.3103.2-168.4-101.6177.7000106.1Q539 F543 L588Q539-I541 HydrophobicContact CB-CB 3.95Å; Q539-I541 HydrophobicContact CB-CD1 3.34Å; Q539-I541 HydrophobicContact CB-CG1 3.5Å; Q539-I541 VanDerWaalsContact CB-CG1 3.5Å; Q539-I541 VanDerWaalsContact CD-CD1 3.49Å; Q539-I541 HydrophobicContact CG-CD1 3.97Å; Q539-I541 PolarHBondContact O-N 3.48Å; I541-F543 HydrophobicContact CB-CD2 3.96Å; I541-F543 HydrophobicContact CD1-CD2 4.04Å; I541-F543 HydrophobicContact CD1-CE2 4.07Å; I541-F543 HydrophobicContact CG1-CD2 3.66Å; I541-F543 HydrophobicContact CG1-CE2 3.83Å; I541-F543 HydrophobicContact CG2-CB 3.94Å; I541-F543 HydrophobicContact CG2-CD2 3.5Å; I541-F543 VanDerWaalsContact CG2-CD2 3.5Å; I541-F543 HydrophobicContact CG2-CE2 4.48Å; I541-F543 HydrophobicContact CG2-CG 4.16Å; I541-F543 PolarHBondContact O-N 3.21Å; I541-L588 HydrophobicContact CD1-CD1 3.57Å; I541-L588 HydrophobicContact CG1-CD1 4.16Å
542T47.5Very low66.5Low89 Ų89100.6 Ų100.655%0.54650%0.496SS..  trans-8036.2171.8350000111.8K540K540-T542 PolarHBondContact O-N 3.1Å
543F48.5Very low66.6Low36 Ų36100.9 Ų100.916%0.15850%0.498CS..Hα-helixtrans-74-40.2-176.7-84.8-90.1000112.9I541 N545 E547 Y573 L588I541-F543 HydrophobicContact CB-CD2 3.96Å; I541-F543 HydrophobicContact CD1-CD2 4.04Å; I541-F543 HydrophobicContact CD1-CE2 4.07Å; I541-F543 HydrophobicContact CG1-CD2 3.66Å; I541-F543 HydrophobicContact CG1-CE2 3.83Å; I541-F543 HydrophobicContact CG2-CB 3.94Å; I541-F543 HydrophobicContact CG2-CD2 3.5Å; I541-F543 VanDerWaalsContact CG2-CD2 3.5Å; I541-F543 HydrophobicContact CG2-CE2 4.48Å; I541-F543 HydrophobicContact CG2-CG 4.16Å; I541-F543 PolarHBondContact O-N 3.21Å; F543-N545 PolarHBondContact O-N 3.12Å; F543-E547 VanDerWaalsContact O-CG 3.31Å; F543-E547 WeakPolarHBondContact O-CG 3.33Å; F543-E547 PolarHBondContact O-N 3.29Å; F543-Y573 HydrophobicContact CD1-CE1 4.39Å; F543-Y573 HydrophobicContact CE1-CD1 4.2Å; F543-Y573 AromaticContact CE1-CE1 3.51Å; F543-Y573 HydrophobicContact CE1-CE1 3.51Å; F543-Y573 HydrophobicContact CZ-CD1 4.3Å; F543-Y573 HydrophobicContact CZ-CE1 4.03Å; F543-L588 HydrophobicContact CE2-CD1 3.87Å; F543-L588 HydrophobicContact CE2-CD2 4.44Å; F543-L588 HydrophobicContact CZ-CD1 4.33Å; F543-L588 HydrophobicContact CZ-CD2 4.12Å
544D49.1Very low66.9Low95 Ų9595.1 Ų95.151%0.50847%0.472SS..Hα-helixtrans-73.4-23-171.4-70.2-17.3000114.1K536K536-D544 IonicContact NZ-OD2 2.87Å; K536-D544 PolarHBondContact NZ-OD2 3.28Å
545N44.2Very low67.2Low144 Ų14489.3 Ų89.377%0.7745%0.446SS*.Hα-helixtrans-99-25.7-177.4-78-9.7000114.4F543F543-N545 PolarHBondContact O-N 3.12Å
546E46.5Very low67.7Low115 Ų11586.2 Ų86.254%0.53743%0.434SS..Hα-helixtrans-82.1-23176.1-72.3179-17000112.4E549 S550E546-E549 PolarHBondContact O-N 3.3Å; E546-S550 WeakPolarHBondContact O-CB 3.27Å; E546-S550 PolarHBondContact O-N 2.93Å
547E55.2Low68.3Low58 Ų5883.9 Ų83.927%0.27142%0.422SS..G310 helixtrans-67-39.7-176.8-81.9178.5-173.500113.1F543 E549 S550 H555F543-E547 VanDerWaalsContact O-CG 3.31Å; F543-E547 WeakPolarHBondContact O-CG 3.33Å; F543-E547 PolarHBondContact O-N 3.29Å; E547-E549 PolarHBondContact O-N 3.4Å; E547-S550 PolarHBondContact O-N 3.09Å; E547-S550 PolarHBondContact O-OG 3.47Å; E547-H555 IonicContact OE1-CE1 2.67Å; E547-H555 PolarHBondContact OE1-CE1 2.84Å; E547-H555 IonicContact OE1-ND1 2.84Å; E547-H555 IonicContact OE1-NE2 2.86Å; E547-H555 IonicContact OE2-CE1 3.4Å; E547-H555 IonicContact OE2-NE2 3.79Å
548K57.2Low69.1Low164 Ų16479.7 Ų79.771%0.71339%0.388SS*.G310 helixtrans-64.4-23.5-179.6-71.6-161.5177.5-162.30113.7E161E161-K548 IonicContact OE2-NZ 3.19Å; E161-K548 PolarHBondContact OE2-NZ 3.11Å
549E59.5Low70.1Confident186 Ų18673.6 Ų73.687%0.86936%0.361SS*.G310 helixtrans-104.70179.5-64-171.4169.300113.4E546 E547E546-E549 PolarHBondContact O-N 3.3Å; E547-E549 PolarHBondContact O-N 3.4Å
550S77.6Confident71.8Confident44 Ų4472.5 Ų72.531%0.30836%0.356SS..SBendtrans-94.2152.2-176.276.30000113.1E546 E547 V552E546-S550 WeakPolarHBondContact O-CB 3.27Å; E546-S550 PolarHBondContact O-N 2.93Å; E547-S550 PolarHBondContact O-N 3.09Å; E547-S550 PolarHBondContact O-OG 3.47Å; S550-V552 PolarHBondContact O-N 2.85Å; S550-V552 VanDerWaalsContact OG-CG2 3.27Å; S550-V552 WeakPolarHBondContact OG-CG2 3.42Å
551D89.6Confident73.9Confident92 Ų9263.3 Ų63.349%0.49232%0.317SS..  trans-86.123.917164.5-32000112.6I553 Y577 P578D551-I553 PolarHBondContact O-N 2.92Å; D551-Y577 VanDerWaalsContact OD1-CD1 3.25Å; D551-Y577 WeakPolarHBondContact OD1-CD1 3.37Å; D551-P578 HydrophobicContact CB-CG 4.48Å; D551-P578 VanDerWaalsContact O-CD 3.24Å; D551-P578 WeakPolarHBondContact O-CD 3.29Å; D551-P578 WeakPolarHBondContact OD2-CD 3.49Å
552V92Very high75.5Confident29 Ų2960.8 Ų60.818%0.17631%0.306CS..  trans-63.1123.8178.8176.50000109.7S550 H555 Y577S550-V552 PolarHBondContact O-N 2.85Å; S550-V552 VanDerWaalsContact OG-CG2 3.27Å; S550-V552 WeakPolarHBondContact OG-CG2 3.42Å; V552-H555 HydrophobicContact CG1-CB 4.1Å; V552-Y577 HydrophobicContact CB-CE1 4.37Å; V552-Y577 HydrophobicContact CG2-CD1 3.98Å; V552-Y577 HydrophobicContact CG2-CE1 3.26Å; V552-Y577 HydrophobicContact CG2-CE2 4.17Å; V552-Y577 WeakPolarHBondContact CG2-OH 3.44Å
553I93.1Very high76.5Confident39 Ų3957.8 Ų57.820%0.229%0.293CS..  trans-76.9-53.4178.3-62.5174.5000109.9K45 D551 L576 P578 Y645 T649K45-I553 WeakPolarHBondContact CE-O 3.47Å; K45-I553 PolarHBondContact NZ-O 3.12Å; D551-I553 PolarHBondContact O-N 2.92Å; I553-L576 HydrophobicContact CB-CD2 4.47Å; I553-L576 HydrophobicContact CB-CG 4.36Å; I553-L576 WeakPolarHBondContact CB-O 3.4Å; I553-L576 HydrophobicContact CG2-CD2 4.4Å; I553-L576 PolarHBondContact N-O 2.94Å; I553-P578 HydrophobicContact CD1-CG 4.1Å; I553-P578 HydrophobicContact CG1-CG 4.34Å; I553-Y645 HydrophobicContact CG2-CD1 3.49Å; I553-Y645 VanDerWaalsContact CG2-CD1 3.49Å; I553-Y645 HydrophobicContact CG2-CE1 4.13Å; I553-Y645 HydrophobicContact CG2-CG 4.19Å; I553-T649 HydrophobicContact CD1-CG2 3.95Å; I553-T649 WeakPolarHBondContact CD1-OG1 3.5Å
554I93.9Very high77.1Confident0 Ų060.5 Ų60.50%031%0.314CS..EExtended strand (participates in β ladder)trans-152.9145.8-179.4-170.6171.6000109V42 K45 L576 E641 W642 Y645V42-I554 HydrophobicContact CG2-CD1 3.99Å; V42-I554 HydrophobicContact CG2-CG1 4.21Å; K45-I554 HydrophobicContact CD-CB 4.3Å; K45-I554 HydrophobicContact CD-CD1 4.05Å; K45-I554 HydrophobicContact CD-CG1 4.17Å; I554-L576 HydrophobicContact CG2-CB 3.75Å; I554-L576 HydrophobicContact CG2-CD2 3.82Å; I554-L576 HydrophobicContact CG2-CG 4.4Å; I554-L576 PolarHBondContact O-N 3.48Å; I554-E641 HydrophobicContact CD1-CB 4.09Å; I554-W642 HydrophobicContact CG2-CD2 4.48Å; I554-W642 HydrophobicContact CG2-CE3 3.96Å; I554-W642 HydrophobicContact CG2-CH2 4.08Å; I554-W642 HydrophobicContact CG2-CZ3 3.77Å; I554-Y645 HydrophobicContact CD1-CD2 4.01Å; I554-Y645 HydrophobicContact CG2-CG 4.45Å
555H93.8Very high77.5Confident20 Ų2065.4 Ų65.49%0.09333%0.331CS..EExtended strand (participates in β ladder)trans-143.7166.3176.763.292.5000111.9S41 E547 V552 Y573 A574 K575S41-H555 WeakPolarHBondContact CB-NE2 3.32Å; S41-H555 VanDerWaalsContact CB-O 3.25Å; S41-H555 WeakPolarHBondContact CB-O 3.35Å; S41-H555 PolarHBondContact OG-CD2 2.89Å; S41-H555 PolarHBondContact OG-N 3.46Å; S41-H555 PolarHBondContact OG-NE2 3.46Å; E547-H555 IonicContact OE1-CE1 2.67Å; E547-H555 PolarHBondContact OE1-CE1 2.84Å; E547-H555 IonicContact OE1-ND1 2.84Å; E547-H555 IonicContact OE1-NE2 2.86Å; E547-H555 IonicContact OE2-CE1 3.4Å; E547-H555 IonicContact OE2-NE2 3.79Å; V552-H555 HydrophobicContact CG1-CB 4.1Å; H555-Y573 HydrophobicContact CB-CE1 4.34Å; H555-Y573 AromaticContact ND1-CZ 3.78Å; H555-Y573 PolarHBondContact ND1-OH 2.84Å; H555-A574 CarbonylContact C-O 3.57Å; H555-A574 WeakPolarHBondContact CA-O 3.26Å; H555-A574 VanDerWaalsContact CB-O 3.26Å; H555-A574 WeakPolarHBondContact CB-O 3.4Å; H555-K575 HydrophobicContact CB-CB 4.48Å; H555-K575 HydrophobicContact CB-CG 3.97Å
556G92.4Very high78.4Confident2 Ų261.6 Ų61.62%0.02131%0.313CS..EExtended strand (participates in β ladder)trans142.5-178.3179.100000112.7A574G556-A574 PolarHBondContact N-O 2.56Å; G556-A574 PolarHBondContact O-N 2.91Å
557Y92.3Very high79.6Confident44 Ų4460.3 Ų60.317%0.17332%0.317CS..EExtended strand (participates in β ladder)trans-75.5127.9-177.7-74.5-80.7000111.7D36 S38 K535 Q571 K572 Y573D36-Y557 HydrophobicContact CB-CD2 4.16Å; D36-Y557 HydrophobicContact CB-CE2 3.89Å; S38-Y557 WeakPolarHBondContact OG-CD2 3.38Å; K535-Y557 PolarHBondContact NZ-OH 3.25Å; Y557-Q571 HydrophobicContact CD1-CG 4.02Å; Y557-K572 CarbonylContact C-O 3.45Å; Y557-K572 WeakPolarHBondContact CA-O 3.36Å; Y557-Y573 HydrophobicContact CD1-CD2 4.06Å; Y557-Y573 AromaticContact CD2-CD2 3.84Å; Y557-Y573 HydrophobicContact CD2-CD2 3.84Å; Y557-Y573 HydrophobicContact CD2-CE2 4.09Å; Y557-Y573 AromaticContact CE1-CD2 3.89Å; Y557-Y573 HydrophobicContact CE1-CD2 3.89Å; Y557-Y573 AromaticContact CE2-CD2 3.61Å; Y557-Y573 HydrophobicContact CE2-CD2 3.61Å; Y557-Y573 AromaticContact CE2-CE2 3.81Å; Y557-Y573 HydrophobicContact CE2-CE2 3.81Å; Y557-Y573 HydrophobicContact CG-CD2 4.05Å; Y557-Y573 AromaticContact CZ-CD2 3.65Å
558I93.9Very high81.2Confident1 Ų160.3 Ų60.31%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-134.2155173.9-156.2165.9000109.9Q571 K572 A574 L583 L631 T632 W642I558-Q571 VanDerWaalsContact C-NE2 3.28Å; I558-Q571 PolarHBondContact O-NE2 3.16Å; I558-K572 PolarHBondContact N-O 3.16Å; I558-K572 PolarHBondContact O-N 3.15Å; I558-A574 HydrophobicContact CB-CB 4.41Å; I558-A574 HydrophobicContact CG2-CB 3.68Å; I558-L583 HydrophobicContact CG2-CD2 4.2Å; I558-L631 HydrophobicContact CD1-CB 3.8Å; I558-L631 HydrophobicContact CD1-CD1 4.12Å; I558-L631 HydrophobicContact CD1-CG 4.36Å; I558-L631 HydrophobicContact CG1-CB 4.32Å; I558-L631 HydrophobicContact CG2-CD2 4.38Å; I558-T632 WeakPolarHBondContact CG1-O 3.35Å; I558-W642 HydrophobicContact CD1-CB 4.2Å; I558-W642 HydrophobicContact CD1-CD2 3.96Å; I558-W642 HydrophobicContact CD1-CE3 4.38Å; I558-W642 HydrophobicContact CD1-CG 3.85Å
559K93.8Very high82.7Confident54 Ų5455.3 Ų55.324%0.23530%0.304CS..EExtended strand (participates in β ladder)trans-100.5130.5174.1-66.4175.7-170.81680109.8W569 Q570 E613 L631 T632K559-W569 HydrophobicContact CB-CB 4.38Å; K559-W569 HydrophobicContact CB-CE3 4.04Å; K559-W569 HydrophobicContact CD-CB 4.25Å; K559-Q570 CarbonylContact C-O 3.37Å; K559-Q570 WeakPolarHBondContact CA-O 3.34Å; K559-E613 IonicContact NZ-OE1 3.59Å; K559-L631 CarbonylContact O-C 3.56Å; K559-L631 WeakPolarHBondContact O-CA 3.29Å; K559-T632 HydrophobicContact CB-CG2 3.55Å; K559-T632 HydrophobicContact CD-CG2 4.08Å; K559-T632 HydrophobicContact CG-CG2 4.42Å; K559-T632 PolarHBondContact N-O 3.3Å; K559-T632 PolarHBondContact O-N 2.72Å
560K93Very high84.2Confident34 Ų3449.9 Ų49.915%0.14828%0.278CS..EExtended strand (participates in β ladder)trans-103.3134172.2176.5-175.3173.7-150.90109.4G562 Q570 K572 L583 E593 Y595 L629 L631K560-G562 PolarHBondContact O-N 3.25Å; K560-Q570 PolarHBondContact N-O 3.4Å; K560-Q570 PolarHBondContact O-N 3.15Å; K560-K572 HydrophobicContact CB-CG 4.15Å; K560-L583 HydrophobicContact CD-CD1 3.92Å; K560-E593 IonicContact NZ-OE1 2.7Å; K560-E593 IonicContact NZ-OE2 2.64Å; K560-E593 PolarHBondContact NZ-OE2 2.89Å; K560-Y595 WeakPolarHBondContact CE-OH 3.49Å; K560-Y595 PolarHBondContact NZ-OH 2.88Å; K560-Y595 VanDerWaalsContact NZ-OH 3.12Å; K560-L629 HydrophobicContact CD-CD1 3.73Å; K560-L629 HydrophobicContact CG-CD1 3.68Å; K560-L631 HydrophobicContact CB-CD2 4.07Å; K560-L631 HydrophobicContact CG-CD2 4.38Å
561L90.6Very high84.8Confident22 Ų2250.9 Ų50.912%0.11528%0.278CS..EExtended strand (participates in β ladder)trans-69.6129.6169.7-168.662.9000109.1W569 V610 K611 V630L561-W569 HydrophobicContact CB-CE3 3.95Å; L561-W569 HydrophobicContact CB-CH2 4.16Å; L561-W569 HydrophobicContact CB-CZ3 3.69Å; L561-W569 HydrophobicContact CD1-CD2 4.03Å; L561-W569 HydrophobicContact CD1-CE3 4.2Å; L561-W569 HydrophobicContact CD1-CH2 4.47Å; L561-W569 HydrophobicContact CD1-CZ2 4.29Å; L561-W569 HydrophobicContact CD1-CZ3 4.42Å; L561-V610 HydrophobicContact CD2-CG1 4.03Å; L561-K611 HydrophobicContact CD1-CD 4.06Å; L561-V630 HydrophobicContact CB-CB 3.82Å; L561-V630 HydrophobicContact CB-CG1 4.19Å; L561-V630 HydrophobicContact CD2-CB 4.23Å; L561-V630 HydrophobicContact CD2-CG1 4.32Å; L561-V630 HydrophobicContact CD2-CG2 4.35Å; L561-V630 PolarHBondContact N-O 2.88Å
562G81.9Confident84.9Confident9 Ų947.6 Ų47.69%0.09326%0.26CS..PPolyproline II helixtrans-59.5168.8174.700000113.1K560 T566 A568K560-G562 PolarHBondContact O-N 3.25Å; G562-T566 CarbonylContact C-O 3.53Å; G562-T566 WeakPolarHBondContact CA-O 3.38Å; G562-T566 WeakPolarHBondContact CA-OG1 3.27Å; G562-A568 PolarHBondContact N-O 3.39Å
563G69.2Low84.9Confident26 Ų2646.9 Ų46.927%0.26825%0.254SS..  trans-70.1-167.7-177.400000113.4F565 T566 D626G563-F565 PolarHBondContact O-N 2.98Å; G563-T566 PolarHBondContact N-OG1 3.02Å; G563-T566 CarbonylContact O-C 3.46Å; G563-T566 PolarHBondContact O-N 3.46Å; G563-D626 WeakPolarHBondContact CA-OD2 3.21Å
564P59.5Low84.9Confident93 Ų9345 Ų4560%0.60424%0.244SC*.THydrogen-bonded Turntrans-62.7-23.9-171.6-14.129.3000112.5D626P564-D626 WeakPolarHBondContact CD-OD2 3.33Å; P564-D626 WeakPolarHBondContact CG-OD2 3.28Å
565F59.1Low84.9Confident197 Ų19745.9 Ų45.986%0.86425%0.248SC*.THydrogen-bonded Turntrans-96.2-14.9-178-53.9-75.9000113.6G563G563-F565 PolarHBondContact O-N 2.98Å
566T61.7Low85Confident65 Ų6544.9 Ų44.940%0.39924%0.243SC..  trans-125.298.1179.853.20000109.9G562 G563 A568G562-T566 CarbonylContact C-O 3.53Å; G562-T566 WeakPolarHBondContact CA-O 3.38Å; G562-T566 WeakPolarHBondContact CA-OG1 3.27Å; G563-T566 PolarHBondContact N-OG1 3.02Å; G563-T566 CarbonylContact O-C 3.46Å; G563-T566 PolarHBondContact O-N 3.46Å; T566-A568 PolarHBondContact O-N 2.99Å; T566-A568 VanDerWaalsContact O-N 3.12Å
567S73.3Confident85.1Confident88 Ų8845.8 Ų45.862%0.61525%0.246SC*.  trans-72.80.3-179.854.10000114.3K611S567-K611 VanDerWaalsContact CA-NZ 3.29Å; S567-K611 PolarHBondContact O-NZ 3.35Å
568A87.3Confident85.2Confident58 Ų5846.1 Ų46.148%0.47925%0.254SS..SBendtrans-90.2148.4-173.100000112.4G562 T566G562-A568 PolarHBondContact N-O 3.39Å; T566-A568 PolarHBondContact O-N 2.99Å; T566-A568 VanDerWaalsContact O-N 3.12Å
569W89.8Confident85.1Confident58 Ų5848.8 Ų48.822%0.2227%0.273CS..EExtended strand (participates in β ladder)trans-72.1133.3168.4-67.2111.3000110.2K559 L561 E613 S615 V630 T632K559-W569 HydrophobicContact CB-CB 4.38Å; K559-W569 HydrophobicContact CB-CE3 4.04Å; K559-W569 HydrophobicContact CD-CB 4.25Å; L561-W569 HydrophobicContact CB-CE3 3.95Å; L561-W569 HydrophobicContact CB-CH2 4.16Å; L561-W569 HydrophobicContact CB-CZ3 3.69Å; L561-W569 HydrophobicContact CD1-CD2 4.03Å; L561-W569 HydrophobicContact CD1-CE3 4.2Å; L561-W569 HydrophobicContact CD1-CH2 4.47Å; L561-W569 HydrophobicContact CD1-CZ2 4.29Å; L561-W569 HydrophobicContact CD1-CZ3 4.42Å; W569-E613 HydrophobicContact CZ2-CB 4.14Å; W569-S615 WeakPolarHBondContact CH2-OG 3.43Å; W569-V630 HydrophobicContact CH2-CG1 3.73Å; W569-V630 HydrophobicContact CZ3-CG1 4.16Å; W569-T632 HydrophobicContact CD2-CG2 3.84Å; W569-T632 HydrophobicContact CE3-CG2 3.45Å; W569-T632 VanDerWaalsContact CE3-CG2 3.45Å; W569-T632 HydrophobicContact CH2-CG2 3.49Å; W569-T632 VanDerWaalsContact CH2-CG2 3.49Å; W569-T632 HydrophobicContact CZ2-CG2 3.88Å; W569-T632 HydrophobicContact CZ3-CG2 3.26Å
570Q90Very high85.1Confident73 Ų7349 Ų4934%0.34127%0.272SS..EExtended strand (participates in β ladder)trans-113.9122.6177.2-62.3-176.1-16.300109.3K559 K560 K572K559-Q570 CarbonylContact C-O 3.37Å; K559-Q570 WeakPolarHBondContact CA-O 3.34Å; K560-Q570 PolarHBondContact N-O 3.4Å; K560-Q570 PolarHBondContact O-N 3.15Å; Q570-K572 PolarHBondContact O-N 2.99Å
571Q90.9Very high85.2Confident65 Ų6547.5 Ų47.530%0.30427%0.266SS..EExtended strand (participates in β ladder)trans-68.6130.1172.6-165.367.454.600109.6Y557 I558Y557-Q571 HydrophobicContact CD1-CG 4.02Å; I558-Q571 VanDerWaalsContact C-NE2 3.28Å; I558-Q571 PolarHBondContact O-NE2 3.16Å
572K91.7Very high85.4Confident23 Ų2347.1 Ų47.110%0.126%0.263CS..EExtended strand (participates in β ladder)trans-130.9153.3178.6-61.6-72.2175.5155.10108.6Y557 I558 K560 Q570 L583 Y584 E593Y557-K572 CarbonylContact C-O 3.45Å; Y557-K572 WeakPolarHBondContact CA-O 3.36Å; I558-K572 PolarHBondContact N-O 3.16Å; I558-K572 PolarHBondContact O-N 3.15Å; K560-K572 HydrophobicContact CB-CG 4.15Å; Q570-K572 PolarHBondContact O-N 2.99Å; K572-L583 HydrophobicContact CB-CB 4.32Å; K572-L583 HydrophobicContact CG-CB 4.48Å; K572-Y584 WeakPolarHBondContact CA-O 3.48Å; K572-Y584 WeakPolarHBondContact CD-O 3.07Å; K572-E593 IonicContact NZ-OE1 2.8Å; K572-E593 PolarHBondContact NZ-OE1 3.42Å
573Y92Very high85.9Confident13 Ų1346.7 Ų46.75%0.05126%0.259CS..EExtended strand (participates in β ladder)trans-96.6118.4165.5-167-92000108.1S38 F543 H555 Y557 K575 Y584S38-Y573 WeakPolarHBondContact CB-OH 3.32Å; F543-Y573 HydrophobicContact CD1-CE1 4.39Å; F543-Y573 HydrophobicContact CE1-CD1 4.2Å; F543-Y573 AromaticContact CE1-CE1 3.51Å; F543-Y573 HydrophobicContact CE1-CE1 3.51Å; F543-Y573 HydrophobicContact CZ-CD1 4.3Å; F543-Y573 HydrophobicContact CZ-CE1 4.03Å; H555-Y573 HydrophobicContact CB-CE1 4.34Å; H555-Y573 AromaticContact ND1-CZ 3.78Å; H555-Y573 PolarHBondContact ND1-OH 2.84Å; Y557-Y573 HydrophobicContact CD1-CD2 4.06Å; Y557-Y573 AromaticContact CD2-CD2 3.84Å; Y557-Y573 HydrophobicContact CD2-CD2 3.84Å; Y557-Y573 HydrophobicContact CD2-CE2 4.09Å; Y557-Y573 AromaticContact CE1-CD2 3.89Å; Y557-Y573 HydrophobicContact CE1-CD2 3.89Å; Y557-Y573 AromaticContact CE2-CD2 3.61Å; Y557-Y573 HydrophobicContact CE2-CD2 3.61Å; Y557-Y573 AromaticContact CE2-CE2 3.81Å; Y557-Y573 HydrophobicContact CE2-CE2 3.81Å; Y557-Y573 HydrophobicContact CG-CD2 4.05Å; Y557-Y573 AromaticContact CZ-CD2 3.65Å; Y573-K575 HydrophobicContact CD1-CG 4.48Å; Y573-K575 HydrophobicContact CE1-CG 4.26Å; Y573-Y584 PolarHBondContact N-O 2.92Å; Y573-Y584 WeakPolarHBondContact O-CD2 3.12Å; Y573-Y584 PolarHBondContact O-N 3.12Å
574A93.8Very high86.9Confident0 Ų047.5 Ų47.50%025%0.254CS..EExtended strand (participates in β ladder)trans-102.3143.1-175.700000111.1H555 G556 I558 L581 E582 L583 W642H555-A574 CarbonylContact C-O 3.57Å; H555-A574 WeakPolarHBondContact CA-O 3.26Å; H555-A574 VanDerWaalsContact CB-O 3.26Å; H555-A574 WeakPolarHBondContact CB-O 3.4Å; G556-A574 PolarHBondContact N-O 2.56Å; G556-A574 PolarHBondContact O-N 2.91Å; I558-A574 HydrophobicContact CB-CB 4.41Å; I558-A574 HydrophobicContact CG2-CB 3.68Å; A574-L581 HydrophobicContact CB-CD1 4.28Å; A574-E582 CarbonylContact C-O 3.57Å; A574-E582 VanDerWaalsContact CA-O 3.29Å; A574-E582 WeakPolarHBondContact CA-O 3.32Å; A574-L583 HydrophobicContact CB-CD2 3.51Å; A574-W642 HydrophobicContact CB-CH2 3.36Å; A574-W642 HydrophobicContact CB-CZ2 3.77Å; A574-W642 HydrophobicContact CB-CZ3 3.98Å
575K94Very high88Confident18 Ų1844.5 Ų44.58%0.07824%0.235CC..EExtended strand (participates in β ladder)trans-127.7121166.1-65.4-173.6179.9-175.50109H555 Y573 Y577 E582 Y584H555-K575 HydrophobicContact CB-CB 4.48Å; H555-K575 HydrophobicContact CB-CG 3.97Å; Y573-K575 HydrophobicContact CD1-CG 4.48Å; Y573-K575 HydrophobicContact CE1-CG 4.26Å; K575-Y577 HydrophobicContact CB-CD2 4.28Å; K575-Y577 HydrophobicContact CB-CE2 3.59Å; K575-Y577 HydrophobicContact CD-CE2 4.24Å; K575-Y577 WeakPolarHBondContact CD-OH 3.44Å; K575-E582 HydrophobicContact CB-CB 4.45Å; K575-E582 PolarHBondContact N-O 3.29Å; K575-E582 PolarHBondContact O-N 3.13Å; K575-Y584 HydrophobicContact CD-CE2 4.01Å; K575-Y584 HydrophobicContact CG-CE2 4.16Å
576L95.6Very high88.6Confident0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-96.9123.1174.4-178.162.9000109.8I553 I554 L581 M597 W642 L646 T649I553-L576 HydrophobicContact CB-CD2 4.47Å; I553-L576 HydrophobicContact CB-CG 4.36Å; I553-L576 WeakPolarHBondContact CB-O 3.4Å; I553-L576 HydrophobicContact CG2-CD2 4.4Å; I553-L576 PolarHBondContact N-O 2.94Å; I554-L576 HydrophobicContact CG2-CB 3.75Å; I554-L576 HydrophobicContact CG2-CD2 3.82Å; I554-L576 HydrophobicContact CG2-CG 4.4Å; I554-L576 PolarHBondContact O-N 3.48Å; L576-L581 HydrophobicContact CB-CD1 4.41Å; L576-L581 HydrophobicContact CD1-CB 4.23Å; L576-L581 HydrophobicContact CD1-CD1 4.36Å; L576-M597 HydrophobicContact CD1-CE 3.36Å; L576-W642 HydrophobicContact CB-CZ3 3.98Å; L576-L646 HydrophobicContact CD1-CD1 3.74Å; L576-T649 HydrophobicContact CD1-CG2 4.21Å
577Y94.8Very high88.9Confident20 Ų2041.9 Ų41.98%0.07823%0.23CC..  trans-110.5163.9172.5-64.9-93.2000109.6D551 V552 K575 S579 R580 E582 T649D551-Y577 VanDerWaalsContact OD1-CD1 3.25Å; D551-Y577 WeakPolarHBondContact OD1-CD1 3.37Å; V552-Y577 HydrophobicContact CB-CE1 4.37Å; V552-Y577 HydrophobicContact CG2-CD1 3.98Å; V552-Y577 HydrophobicContact CG2-CE1 3.26Å; V552-Y577 HydrophobicContact CG2-CE2 4.17Å; V552-Y577 WeakPolarHBondContact CG2-OH 3.44Å; K575-Y577 HydrophobicContact CB-CD2 4.28Å; K575-Y577 HydrophobicContact CB-CE2 3.59Å; K575-Y577 HydrophobicContact CD-CE2 4.24Å; K575-Y577 WeakPolarHBondContact CD-OH 3.44Å; Y577-S579 PolarHBondContact O-N 3.17Å; Y577-R580 WeakPolarHBondContact CA-O 3.36Å; Y577-R580 WeakPolarHBondContact CB-O 3.48Å; Y577-R580 HydrophobicContact CD2-CG 4.14Å; Y577-R580 HydrophobicContact CG-CG 4.39Å; Y577-R580 PolarHBondContact N-O 3.42Å; Y577-R580 PolarHBondContact O-N 3.17Å; Y577-E582 HydrophobicContact CD2-CG 4Å; Y577-E582 VanDerWaalsContact CE2-CD 3.45Å; Y577-E582 HydrophobicContact CE2-CG 3.83Å; Y577-T649 WeakPolarHBondContact O-CG2 3.43Å
578P93.6Very high88.6Confident51 Ų5139.7 Ų39.733%0.33121%0.21SC..SBendtrans-53.6-35.6172.3-26.734000113D551 I553 S653D551-P578 HydrophobicContact CB-CG 4.48Å; D551-P578 VanDerWaalsContact O-CD 3.24Å; D551-P578 WeakPolarHBondContact O-CD 3.29Å; D551-P578 WeakPolarHBondContact OD2-CD 3.49Å; I553-P578 HydrophobicContact CD1-CG 4.1Å; I553-P578 HydrophobicContact CG1-CG 4.34Å; P578-S653 PolarHBondContact O-OG 2.67Å
579S91.9Very high87.5Confident58 Ų5841.9 Ų41.941%0.40622%0.222SC..SBendtrans-96.1-21.3-175.254.10000115.2Y577 M597Y577-S579 PolarHBondContact O-N 3.17Å; S579-M597 WeakPolarHBondContact O-CG 3.06Å; S579-M597 PolarHBondContact O-N 3.45Å
580R93.6Very high86.6Confident59 Ų5941.5 Ų41.522%0.22323%0.232CC..EExtended strand (participates in β ladder)trans-160.9158.7-168.665.3-166.9-174-71.9-8.3113.1Y577 E582 Y595 F596Y577-R580 WeakPolarHBondContact CA-O 3.36Å; Y577-R580 WeakPolarHBondContact CB-O 3.48Å; Y577-R580 HydrophobicContact CD2-CG 4.14Å; Y577-R580 HydrophobicContact CG-CG 4.39Å; Y577-R580 PolarHBondContact N-O 3.42Å; Y577-R580 PolarHBondContact O-N 3.17Å; R580-E582 HydrophobicContact CG-CG 4.2Å; R580-E582 IonicContact CZ-OE1 3.84Å; R580-E582 IonicContact NE-OE1 2.73Å; R580-E582 PolarHBondContact NE-OE1 2.97Å; R580-E582 IonicContact NH2-OE1 3.02Å; R580-E582 PolarHBondContact NH2-OE1 2.83Å; R580-Y595 CarbonylContact C-O 3.48Å; R580-Y595 VanDerWaalsContact CA-O 3.29Å; R580-Y595 WeakPolarHBondContact CA-O 3.46Å; R580-F596 HydrophobicContact CB-CD1 3.97Å; R580-F596 HydrophobicContact CB-CE1 4.39Å
581L94.6Very high86.3Confident2 Ų247.5 Ų47.51%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-108.2126.8165.5171.768.1000108.5A574 L576 L583 Y595 M597 L629 L631 W642 L646A574-L581 HydrophobicContact CB-CD1 4.28Å; L576-L581 HydrophobicContact CB-CD1 4.41Å; L576-L581 HydrophobicContact CD1-CB 4.23Å; L576-L581 HydrophobicContact CD1-CD1 4.36Å; L581-L583 HydrophobicContact CD1-CD2 4.11Å; L581-L583 HydrophobicContact CD2-CD2 4.24Å; L581-L583 HydrophobicContact CG-CD2 4.07Å; L581-L583 HydrophobicContact CG-CG 4.46Å; L581-Y595 PolarHBondContact N-O 3.49Å; L581-Y595 PolarHBondContact O-N 2.7Å; L581-M597 HydrophobicContact CB-CE 4.12Å; L581-L629 HydrophobicContact CD2-CD2 4.12Å; L581-L631 HydrophobicContact CD2-CD1 4.07Å; L581-W642 HydrophobicContact CD1-CZ3 4.16Å; L581-L646 HydrophobicContact CD2-CD1 4.36Å
582E94.2Very high86.2Confident13 Ų1346.1 Ų46.16%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-108.7129.2176.3-51.4-171.5164.200109.8A574 K575 Y577 R580 Y584 P592 E593 L594A574-E582 CarbonylContact C-O 3.57Å; A574-E582 VanDerWaalsContact CA-O 3.29Å; A574-E582 WeakPolarHBondContact CA-O 3.32Å; K575-E582 HydrophobicContact CB-CB 4.45Å; K575-E582 PolarHBondContact N-O 3.29Å; K575-E582 PolarHBondContact O-N 3.13Å; Y577-E582 HydrophobicContact CD2-CG 4Å; Y577-E582 VanDerWaalsContact CE2-CD 3.45Å; Y577-E582 HydrophobicContact CE2-CG 3.83Å; R580-E582 HydrophobicContact CG-CG 4.2Å; R580-E582 IonicContact CZ-OE1 3.84Å; R580-E582 IonicContact NE-OE1 2.73Å; R580-E582 PolarHBondContact NE-OE1 2.97Å; R580-E582 IonicContact NH2-OE1 3.02Å; R580-E582 PolarHBondContact NH2-OE1 2.83Å; E582-Y584 HydrophobicContact CB-CD2 4.4Å; E582-Y584 HydrophobicContact CB-CE2 3.71Å; E582-Y584 WeakPolarHBondContact OE2-CE2 3.4Å; E582-Y584 VanDerWaalsContact OE2-CZ 3.3Å; E582-Y584 PolarHBondContact OE2-OH 3.04Å; E582-P592 HydrophobicContact CB-CB 4.19Å; E582-E593 CarbonylContact C-O 3.51Å; E582-E593 WeakPolarHBondContact CA-O 3.39Å; E582-L594 HydrophobicContact CB-CD2 4.17Å; E582-L594 HydrophobicContact CG-CD2 3.61Å
583L92.3Very high86.1Confident1 Ų147.7 Ų47.71%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-116.7112.9175.2-54.4-177.7000110.6I558 K560 K572 A574 L581 P592 E593 Y595 L629 L631I558-L583 HydrophobicContact CG2-CD2 4.2Å; K560-L583 HydrophobicContact CD-CD1 3.92Å; K572-L583 HydrophobicContact CB-CB 4.32Å; K572-L583 HydrophobicContact CG-CB 4.48Å; A574-L583 HydrophobicContact CB-CD2 3.51Å; L581-L583 HydrophobicContact CD1-CD2 4.11Å; L581-L583 HydrophobicContact CD2-CD2 4.24Å; L581-L583 HydrophobicContact CG-CD2 4.07Å; L581-L583 HydrophobicContact CG-CG 4.46Å; L583-P592 WeakPolarHBondContact O-CA 3.31Å; L583-E593 HydrophobicContact CB-CB 4.24Å; L583-E593 PolarHBondContact N-O 3.1Å; L583-E593 PolarHBondContact O-N 3.01Å; L583-Y595 HydrophobicContact CD1-CD2 4.25Å; L583-Y595 HydrophobicContact CD1-CE2 3.56Å; L583-Y595 HydrophobicContact CG-CD2 4.26Å; L583-Y595 HydrophobicContact CG-CE2 3.93Å; L583-L629 HydrophobicContact CD1-CD1 4.42Å; L583-L631 HydrophobicContact CD1-CD2 4.26Å
584Y90.4Very high86Confident42 Ų4250.9 Ų50.917%0.16528%0.278CS..EExtended strand (participates in β ladder)trans-92.3146.7178.1-61.7-102.7000111.2K572 Y573 K575 E582 L588 P592K572-Y584 WeakPolarHBondContact CA-O 3.48Å; K572-Y584 WeakPolarHBondContact CD-O 3.07Å; Y573-Y584 PolarHBondContact N-O 2.92Å; Y573-Y584 WeakPolarHBondContact O-CD2 3.12Å; Y573-Y584 PolarHBondContact O-N 3.12Å; K575-Y584 HydrophobicContact CD-CE2 4.01Å; K575-Y584 HydrophobicContact CG-CE2 4.16Å; E582-Y584 HydrophobicContact CB-CD2 4.4Å; E582-Y584 HydrophobicContact CB-CE2 3.71Å; E582-Y584 WeakPolarHBondContact OE2-CE2 3.4Å; E582-Y584 VanDerWaalsContact OE2-CZ 3.3Å; E582-Y584 PolarHBondContact OE2-OH 3.04Å; Y584-L588 HydrophobicContact CD1-CD2 4.33Å; Y584-L588 HydrophobicContact CG-CD2 4.18Å; Y584-P592 HydrophobicContact CD1-CB 3.9Å; Y584-P592 HydrophobicContact CD1-CG 4.36Å; Y584-P592 HydrophobicContact CD2-CB 4.11Å; Y584-P592 HydrophobicContact CE1-CB 3.82Å; Y584-P592 HydrophobicContact CE1-CG 3.84Å; Y584-P592 HydrophobicContact CE2-CB 3.99Å; Y584-P592 HydrophobicContact CE2-CG 4.48Å; Y584-P592 HydrophobicContact CG-CB 4.05Å
585S84.1Confident85.9Confident30 Ų3052.5 Ų52.521%0.2129%0.285CS..  trans-68158.5166.561.60000110.8S587 L588S585-S587 PolarHBondContact O-N 3.16Å; S585-S587 PolarHBondContact OG-OG 3.13Å; S585-S587 VanDerWaalsContact OG-OG 3.09Å; S585-L588 WeakPolarHBondContact O-CA 3.19Å; S585-L588 PolarHBondContact O-N 2.94Å
586E70.8Confident85.8Confident134 Ų13455.3 Ų55.363%0.62630%0.297SS*.THydrogen-bonded Turntrans-58.7-32178.8-170.4175.3-167.300113.2L588E586-L588 PolarHBondContact O-N 2.89Å
587S69.2Low85.6Confident74 Ų7455.4 Ų55.452%0.51730%0.298SS..THydrogen-bonded Turntrans-69.3-15.1174.765.40000113.7S585 S589S585-S587 PolarHBondContact O-N 3.16Å; S585-S587 PolarHBondContact OG-OG 3.13Å; S585-S587 VanDerWaalsContact OG-OG 3.09Å; S587-S589 WeakPolarHBondContact CB-OG 3.45Å; S587-S589 PolarHBondContact O-N 3.38Å; S587-S589 PolarHBondContact OG-OG 3.38Å
588L66Low85.2Confident41 Ų4158.6 Ų58.622%0.21532%0.316CS..SBendtrans535.8-173.5-61.9162.9000114.7I541 F543 Y584 S585 E586I541-L588 HydrophobicContact CD1-CD1 3.57Å; I541-L588 HydrophobicContact CG1-CD1 4.16Å; F543-L588 HydrophobicContact CE2-CD1 3.87Å; F543-L588 HydrophobicContact CE2-CD2 4.44Å; F543-L588 HydrophobicContact CZ-CD1 4.33Å; F543-L588 HydrophobicContact CZ-CD2 4.12Å; Y584-L588 HydrophobicContact CD1-CD2 4.33Å; Y584-L588 HydrophobicContact CG-CD2 4.18Å; S585-L588 WeakPolarHBondContact O-CA 3.19Å; S585-L588 PolarHBondContact O-N 2.94Å; E586-L588 PolarHBondContact O-N 2.89Å
589S64Low84.9Confident104 Ų10460.8 Ų60.873%0.72732%0.322SS*.  trans-90.1-18.4-173.758.60000113.2S587S587-S589 WeakPolarHBondContact CB-OG 3.45Å; S587-S589 PolarHBondContact O-N 3.38Å; S587-S589 PolarHBondContact OG-OG 3.38Å
590A71.6Confident84.7Confident50 Ų5058.1 Ų58.141%0.41330%0.303SS..SBendtrans-90.3151.5177.500000110.8
591K83.4Confident84.5Confident200 Ų20060.7 Ų60.787%0.8732%0.318SS*.PPolyproline II helixtrans-55.4137.3169.6-70.3-175.3177.2-177.20109.5
592P87.9Confident84.4Confident36 Ų3663.9 Ų63.923%0.23434%0.335CS..PPolyproline II helixtrans-66149.7179.727.2-34000111.2E582 L583 Y584 L594E582-P592 HydrophobicContact CB-CB 4.19Å; L583-P592 WeakPolarHBondContact O-CA 3.31Å; Y584-P592 HydrophobicContact CD1-CB 3.9Å; Y584-P592 HydrophobicContact CD1-CG 4.36Å; Y584-P592 HydrophobicContact CD2-CB 4.11Å; Y584-P592 HydrophobicContact CE1-CB 3.82Å; Y584-P592 HydrophobicContact CE1-CG 3.84Å; Y584-P592 HydrophobicContact CE2-CB 3.99Å; Y584-P592 HydrophobicContact CE2-CG 4.48Å; Y584-P592 HydrophobicContact CG-CB 4.05Å; P592-L594 HydrophobicContact CB-CD2 4.41Å; P592-L594 HydrophobicContact CG-CD2 4.01Å; P592-L594 PolarHBondContact O-N 3.27Å
593E89.7Confident84.4Confident55 Ų5563.4 Ų63.426%0.25733%0.332SS..EExtended strand (participates in β ladder)trans-71.6124.3163.2-57.9171.8-145.600108K560 K572 E582 L583 Y595K560-E593 IonicContact NZ-OE1 2.7Å; K560-E593 IonicContact NZ-OE2 2.64Å; K560-E593 PolarHBondContact NZ-OE2 2.89Å; K572-E593 IonicContact NZ-OE1 2.8Å; K572-E593 PolarHBondContact NZ-OE1 3.42Å; E582-E593 CarbonylContact C-O 3.51Å; E582-E593 WeakPolarHBondContact CA-O 3.39Å; L583-E593 HydrophobicContact CB-CB 4.24Å; L583-E593 PolarHBondContact N-O 3.1Å; L583-E593 PolarHBondContact O-N 3.01Å; E593-Y595 HydrophobicContact CB-CE2 3.77Å; E593-Y595 PolarHBondContact OE2-OH 3.24Å
594L90.5Very high84.4Confident80 Ų8063.6 Ų63.642%0.41933%0.334SS..EExtended strand (participates in β ladder)trans-105129.5-176.9-61.3177.5000110.3E582 P592 F596E582-L594 HydrophobicContact CB-CD2 4.17Å; E582-L594 HydrophobicContact CG-CD2 3.61Å; P592-L594 HydrophobicContact CB-CD2 4.41Å; P592-L594 HydrophobicContact CG-CD2 4.01Å; P592-L594 PolarHBondContact O-N 3.27Å; L594-F596 HydrophobicContact CB-CE2 4.07Å; L594-F596 HydrophobicContact CB-CZ 4.31Å; L594-F596 HydrophobicContact CD1-CZ 4.14Å
595Y91.3Very high84.5Confident34 Ų3464.3 Ų64.313%0.13335%0.349CS..EExtended strand (participates in β ladder)trans-124.1106.7174.5-59.1-85.3000108.9K560 R580 L581 L583 E593 Y620 L629K560-Y595 WeakPolarHBondContact CE-OH 3.49Å; K560-Y595 PolarHBondContact NZ-OH 2.88Å; K560-Y595 VanDerWaalsContact NZ-OH 3.12Å; R580-Y595 CarbonylContact C-O 3.48Å; R580-Y595 VanDerWaalsContact CA-O 3.29Å; R580-Y595 WeakPolarHBondContact CA-O 3.46Å; L581-Y595 PolarHBondContact N-O 3.49Å; L581-Y595 PolarHBondContact O-N 2.7Å; L583-Y595 HydrophobicContact CD1-CD2 4.25Å; L583-Y595 HydrophobicContact CD1-CE2 3.56Å; L583-Y595 HydrophobicContact CG-CD2 4.26Å; L583-Y595 HydrophobicContact CG-CE2 3.93Å; E593-Y595 HydrophobicContact CB-CE2 3.77Å; E593-Y595 PolarHBondContact OE2-OH 3.24Å; Y595-Y620 AromaticContact CD1-CE1 3.72Å; Y595-Y620 HydrophobicContact CD1-CE1 3.72Å; Y595-Y620 HydrophobicContact CD1-CE2 4.46Å; Y595-Y620 AromaticContact CD1-CZ 3.44Å; Y595-Y620 VanDerWaalsContact CD1-CZ 3.44Å; Y595-Y620 WeakPolarHBondContact CD1-OH 3.34Å; Y595-Y620 HydrophobicContact CE1-CE1 4.44Å; Y595-Y620 HydrophobicContact CE1-CE2 4.42Å; Y595-Y620 AromaticContact CE1-CZ 3.78Å; Y595-Y620 WeakPolarHBondContact CE1-OH 3.45Å; Y595-L629 HydrophobicContact CD1-CD2 4.37Å; Y595-L629 HydrophobicContact CD2-CD2 4.36Å; Y595-L629 HydrophobicContact CE1-CD2 4.27Å; Y595-L629 HydrophobicContact CE2-CD2 4.34Å; Y595-L629 HydrophobicContact CG-CD2 4.36Å
596F91.9Very high85Confident77 Ų7770.3 Ų70.334%0.33837%0.374SS..EExtended strand (participates in β ladder)trans-81.7142.8-177-62.8-85.6000111.5R580 L594 D598 Q599R580-F596 HydrophobicContact CB-CD1 3.97Å; R580-F596 HydrophobicContact CB-CE1 4.39Å; L594-F596 HydrophobicContact CB-CE2 4.07Å; L594-F596 HydrophobicContact CB-CZ 4.31Å; L594-F596 HydrophobicContact CD1-CZ 4.14Å; F596-D598 WeakPolarHBondContact CB-OD1 3.32Å; F596-D598 PolarHBondContact O-N 3.33Å; F596-Q599 HydrophobicContact CB-CG 4.2Å; F596-Q599 PolarHBondContact O-N 2.86Å
597M91.1Very high86.2Confident3 Ų365.9 Ų65.92%0.01535%0.354CS..THydrogen-bonded Turntrans-65.7-26.8-175.2-68.7-64.9147.600113.3L576 S579 L581 I600 L646 T649 H650L576-M597 HydrophobicContact CD1-CE 3.36Å; S579-M597 WeakPolarHBondContact O-CG 3.06Å; S579-M597 PolarHBondContact O-N 3.45Å; L581-M597 HydrophobicContact CB-CE 4.12Å; M597-I600 HydrophobicContact CE-CD1 4.38Å; M597-I600 HydrophobicContact SD-CD1 3.97Å; M597-L646 HydrophobicContact CE-CD1 3.99Å; M597-T649 HydrophobicContact CE-CG2 4.05Å; M597-T649 HydrophobicContact CG-CG2 4.14Å; M597-T649 HydrophobicContact SD-CG2 3.9Å; M597-H650 HydrophobicContact SD-CB 4.39Å
598D86.3Confident87.3Confident87 Ų8768.8 Ų68.847%0.46535%0.354SS..THydrogen-bonded Turntrans-73.3-25.2176.562.6-20000113.3F596 R621 L657F596-D598 WeakPolarHBondContact CB-OD1 3.32Å; F596-D598 PolarHBondContact O-N 3.33Å; D598-R621 PolarHBondContact O-NE 2.83Å; D598-L657 HydrophobicContact CB-CD1 3.59Å
599Q87.6Confident88.6Confident97 Ų9771.7 Ų71.745%0.45337%0.37SS..THydrogen-bonded Turntrans-82.5-16.6176.4-64.4174.2-16.700113.2F596 R621F596-Q599 HydrophobicContact CB-CG 4.2Å; F596-Q599 PolarHBondContact O-N 2.86Å; Q599-R621 PolarHBondContact O-N 3.46Å; Q599-R621 VanDerWaalsContact O-N 3.09Å
600I89.4Confident89.8Confident2 Ų267.8 Ų67.81%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-79.8122.4177.8-63.7172.3000109.1M597 V603 V618 Y620 H650M597-I600 HydrophobicContact CE-CD1 4.38Å; M597-I600 HydrophobicContact SD-CD1 3.97Å; I600-V603 HydrophobicContact CG2-CG2 3.96Å; I600-V618 HydrophobicContact CB-CG1 4.35Å; I600-V618 HydrophobicContact CD1-CG1 3.83Å; I600-V618 HydrophobicContact CG1-CG1 3.82Å; I600-V618 HydrophobicContact CG2-CG1 3.61Å; I600-Y620 HydrophobicContact CG1-CD1 4.34Å; I600-Y620 HydrophobicContact CG1-CE1 3.99Å; I600-H650 PolarHBondContact O-NE2 3.32Å
601E89.2Confident90.5Very high113 Ų11371 Ų7153%0.52835%0.346SS..EExtended strand (participates in β ladder)trans-74.9-51.6174-174-171.6179.400110.1K619 R621 H650E601-K619 HydrophobicContact CB-CB 4.45Å; E601-K619 PolarHBondContact N-O 3.03Å; E601-R621 HydrophobicContact CB-CG 3.8Å; E601-R621 HydrophobicContact CG-CG 4.37Å; E601-H650 PolarHBondContact O-CE1 3.43Å
602D91.5Very high90.7Very high68 Ų6864.4 Ų64.436%0.36434%0.335SS..EExtended strand (participates in β ladder)trans-153.6147.5-172.8-177.741.2000111.3K619D602-K619 PolarHBondContact N-O 3.13Å; D602-K619 PolarHBondContact O-N 3.49Å
603V93.7Very high90.8Very high3 Ų365.2 Ų65.22%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-114.7116.1166.8-178.20000106.5I600 A605 I616 V618 L646 R647 H650I600-V603 HydrophobicContact CG2-CG2 3.96Å; V603-A605 PolarHBondContact O-N 2.93Å; V603-I616 HydrophobicContact CG1-CG2 4.09Å; V603-V618 HydrophobicContact CG2-CG1 4.43Å; V603-V618 HydrophobicContact CG2-CG2 4.44Å; V603-L646 HydrophobicContact CG1-CD2 4.31Å; V603-L646 HydrophobicContact CG1-CG 4.35Å; V603-L646 HydrophobicContact CG2-CG 4.31Å; V603-R647 HydrophobicContact CG1-CB 4.23Å; V603-H650 HydrophobicContact CG2-CB 3.86Å
604A93Very high91Very high5 Ų566.9 Ų66.94%0.04134%0.343CS..  trans-51131.2-171.600000112.2E606 I617 H643A604-E606 PolarHBondContact O-N 3.36Å; A604-I617 HydrophobicContact CB-CB 4.04Å; A604-I617 WeakPolarHBondContact CB-O 3.38Å; A604-I617 PolarHBondContact N-O 2.79Å; A604-H643 PolarHBondContact O-NE2 3.02Å
605A93.3Very high91.3Very high58 Ų5863 Ų6348%0.47932%0.323SS..SBendtrans-63.4-27.8-175.700000113.7V603 H643V603-A605 PolarHBondContact O-N 2.93Å; A605-H643 PolarHBondContact O-CE1 3.34Å
606E94.2Very high91.5Very high155 Ų15561.5 Ų61.572%0.72432%0.317SS*.SBendtrans-123.7148178.4-65.4176.7-179.100109.8A604A604-E606 PolarHBondContact O-N 3.36Å
607L94.8Very high91.6Very high42 Ų4258.1 Ų58.122%0.2230%0.303CS..  trans-62.4144.4170.1-65173000109.9Q614 I616 L639 N640 H643L607-Q614 HydrophobicContact CB-CB 4.47Å; L607-Q614 HydrophobicContact CD1-CB 4.46Å; L607-I616 HydrophobicContact CD2-CG1 3.73Å; L607-L639 HydrophobicContact CD1-CD2 3.75Å; L607-L639 HydrophobicContact CD1-CG 3.99Å; L607-L639 HydrophobicContact CD2-CD1 4.13Å; L607-L639 HydrophobicContact CD2-CD2 4.22Å; L607-L639 HydrophobicContact CD2-CG 4Å; L607-N640 WeakPolarHBondContact CD1-OD1 3.42Å; L607-H643 HydrophobicContact CD2-CB 4.08Å
608R93.3Very high91.7Very high135 Ų13558 Ų5851%0.50930%0.302SS..EExtended strand (participates in β ladder)trans-121.5138178.4-60.2-167-175.7-170.9-3.7110.3V610 S615 I617R608-V610 PolarHBondContact O-N 3.22Å; R608-S615 PolarHBondContact N-O 3.44Å; R608-S615 WeakPolarHBondContact O-CB 3.42Å; R608-S615 PolarHBondContact O-N 2.9Å; R608-I617 HydrophobicContact CB-CG1 4.07Å; R608-I617 HydrophobicContact CG-CG1 4.19Å
609N92.3Very high91.9Very high102 Ų10257.9 Ų57.955%0.54530%0.298SS..EExtended strand (participates in β ladder)trans-69.3117.5171.5-169.9-37.6000109.7G612N609-G612 VanDerWaalsContact OD1-CA 3.25Å; N609-G612 WeakPolarHBondContact OD1-CA 3.42Å; N609-G612 PolarHBondContact OD1-N 3.03Å
610V90.4Very high91.7Very high21 Ų2154.9 Ų54.913%0.12728%0.282CS..EExtended strand (participates in β ladder)trans-126.8116.3172.5-178.30000107.8L561 R608 G612 E613 I617 V630L561-V610 HydrophobicContact CD2-CG1 4.03Å; R608-V610 PolarHBondContact O-N 3.22Å; V610-G612 VanDerWaalsContact C-N 3.25Å; V610-G612 PolarHBondContact O-N 2.98Å; V610-E613 PolarHBondContact N-O 3.19Å; V610-E613 PolarHBondContact O-N 3.02Å; V610-E613 VanDerWaalsContact O-N 3.14Å; V610-I617 HydrophobicContact CG2-CD1 3.78Å; V610-V630 HydrophobicContact CB-CG1 4.21Å; V610-V630 HydrophobicContact CG1-CG1 4.15Å; V610-V630 HydrophobicContact CG2-CG1 4.23Å
611K86.9Confident91.2Very high117 Ų11761.1 Ų61.151%0.50931%0.306SS..THydrogen-bonded Turntrans5537.3-179.2-58-171.4-178.1-175.60114.2L561 S567 E613L561-K611 HydrophobicContact CD1-CD 4.06Å; S567-K611 VanDerWaalsContact CA-NZ 3.29Å; S567-K611 PolarHBondContact O-NZ 3.35Å; K611-E613 VanDerWaalsContact C-N 3.28Å; K611-E613 PolarHBondContact O-N 3.48Å
612G85.9Confident90.1Very high62 Ų6262.2 Ų62.264%0.63932%0.315SS*.THydrogen-bonded Turntrans85.3-5.6178.300000114.3N609 V610N609-G612 VanDerWaalsContact OD1-CA 3.25Å; N609-G612 WeakPolarHBondContact OD1-CA 3.42Å; N609-G612 PolarHBondContact OD1-N 3.03Å; V610-G612 VanDerWaalsContact C-N 3.25Å; V610-G612 PolarHBondContact O-N 2.98Å
613E90.3Very high88.3Confident53 Ų5362.9 Ų62.925%0.24833%0.33CS..EExtended strand (participates in β ladder)trans-108.7133.9176.2-62.8-162.7-158.800110.8K559 W569 V610 K611 S615 T632K559-E613 IonicContact NZ-OE1 3.59Å; W569-E613 HydrophobicContact CZ2-CB 4.14Å; V610-E613 PolarHBondContact N-O 3.19Å; V610-E613 PolarHBondContact O-N 3.02Å; V610-E613 VanDerWaalsContact O-N 3.14Å; K611-E613 VanDerWaalsContact C-N 3.28Å; K611-E613 PolarHBondContact O-N 3.48Å; E613-S615 PolarHBondContact O-N 2.97Å; E613-S615 PolarHBondContact O-OG 3.31Å; E613-T632 WeakPolarHBondContact OE2-CB 3.13Å; E613-T632 WeakPolarHBondContact OE2-CG2 3.49Å; E613-T632 PolarHBondContact OE2-OG1 2.85Å
614Q95Very high86.4Confident90 Ų9066.7 Ų66.742%0.42136%0.362SS..EExtended strand (participates in β ladder)trans-63.2127.3167.9-69.6-62.4-26.700108.6L607 T632 L639L607-Q614 HydrophobicContact CB-CB 4.47Å; L607-Q614 HydrophobicContact CD1-CB 4.46Å; Q614-T632 PolarHBondContact O-OG1 3.42Å; Q614-L639 HydrophobicContact CB-CD2 3.59Å; Q614-L639 WeakPolarHBondContact O-CD2 3.47Å
615S95.4Very high84.4Confident0 Ų076 Ų760%040%0.402CS..EExtended strand (participates in β ladder)trans-136.6144.7-167.2-57.90000112W569 R608 E613 L631W569-S615 WeakPolarHBondContact CH2-OG 3.43Å; R608-S615 PolarHBondContact N-O 3.44Å; R608-S615 WeakPolarHBondContact O-CB 3.42Å; R608-S615 PolarHBondContact O-N 2.9Å; E613-S615 PolarHBondContact O-N 2.97Å; E613-S615 PolarHBondContact O-OG 3.31Å; S615-L631 CarbonylContact C-O 3.6Å; S615-L631 WeakPolarHBondContact CA-O 3.44Å; S615-L631 WeakPolarHBondContact CB-O 3.22Å
616I96.3Very high82.7Confident1 Ų177.2 Ų77.21%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-81.6127.4169.2-55.1163.5000108.1V603 L607 V618 V630 L631 L639 W642 H643 L646V603-I616 HydrophobicContact CG1-CG2 4.09Å; L607-I616 HydrophobicContact CD2-CG1 3.73Å; I616-V618 HydrophobicContact CG2-CG2 4.22Å; I616-V630 WeakPolarHBondContact O-CA 3.21Å; I616-L631 HydrophobicContact CB-CB 4.3Å; I616-L631 PolarHBondContact N-O 2.86Å; I616-L631 PolarHBondContact O-N 2.82Å; I616-L639 HydrophobicContact CD1-CD1 4.02Å; I616-L639 HydrophobicContact CG1-CD1 3.89Å; I616-W642 HydrophobicContact CD1-CB 3.88Å; I616-H643 HydrophobicContact CD1-CB 3.87Å; I616-H643 HydrophobicContact CG1-CB 3.84Å; I616-L646 HydrophobicContact CG2-CD2 4.02Å
617I94Very high81.5Confident7 Ų772.4 Ų72.44%0.03639%0.387CS..EExtended strand (participates in β ladder)trans-110117.2177.5-48.8-59.4000109.1A604 R608 V610 R628 V630A604-I617 HydrophobicContact CB-CB 4.04Å; A604-I617 WeakPolarHBondContact CB-O 3.38Å; A604-I617 PolarHBondContact N-O 2.79Å; R608-I617 HydrophobicContact CB-CG1 4.07Å; R608-I617 HydrophobicContact CG-CG1 4.19Å; V610-I617 HydrophobicContact CG2-CD1 3.78Å; I617-R628 HydrophobicContact CG2-CB 4.39Å; I617-V630 HydrophobicContact CD1-CB 4.21Å; I617-V630 HydrophobicContact CD1-CG1 3.77Å; I617-V630 HydrophobicContact CD1-CG2 3.77Å
618V93.1Very high81.1Confident1 Ų177.1 Ų77.11%0.00640%0.402CS..EExtended strand (participates in β ladder)trans-107.9126.5175.7-176.90000107.9I600 V603 I616 Y620 R628 L629 L646I600-V618 HydrophobicContact CB-CG1 4.35Å; I600-V618 HydrophobicContact CD1-CG1 3.83Å; I600-V618 HydrophobicContact CG1-CG1 3.82Å; I600-V618 HydrophobicContact CG2-CG1 3.61Å; V603-V618 HydrophobicContact CG2-CG1 4.43Å; V603-V618 HydrophobicContact CG2-CG2 4.44Å; I616-V618 HydrophobicContact CG2-CG2 4.22Å; V618-Y620 HydrophobicContact CG1-CE1 4.43Å; V618-R628 CarbonylContact O-C 3.14Å; V618-R628 WeakPolarHBondContact O-CA 3.01Å; V618-R628 WeakPolarHBondContact O-CB 3.24Å; V618-L629 HydrophobicContact CB-CB 4.13Å; V618-L629 HydrophobicContact CG2-CD2 4.48Å; V618-L629 PolarHBondContact N-O 2.91Å; V618-L629 PolarHBondContact O-N 3.38Å; V618-L646 HydrophobicContact CG2-CD2 3.61Å
619K90.3Very high80.9Confident84 Ų8470.9 Ų70.937%0.36538%0.379SS..EExtended strand (participates in β ladder)trans-103.5142.5177.5-68.1-179.7178.7176.70110.7E601 D602E601-K619 HydrophobicContact CB-CB 4.45Å; E601-K619 PolarHBondContact N-O 3.03Å; D602-K619 PolarHBondContact N-O 3.13Å; D602-K619 PolarHBondContact O-N 3.49Å
620Y83.7Confident80.9Confident34 Ų3466.3 Ų66.313%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-105.2150.3179.2-62.2-74000111.6Y595 I600 V618 D622 L629Y595-Y620 AromaticContact CD1-CE1 3.72Å; Y595-Y620 HydrophobicContact CD1-CE1 3.72Å; Y595-Y620 HydrophobicContact CD1-CE2 4.46Å; Y595-Y620 AromaticContact CD1-CZ 3.44Å; Y595-Y620 VanDerWaalsContact CD1-CZ 3.44Å; Y595-Y620 WeakPolarHBondContact CD1-OH 3.34Å; Y595-Y620 HydrophobicContact CE1-CE1 4.44Å; Y595-Y620 HydrophobicContact CE1-CE2 4.42Å; Y595-Y620 AromaticContact CE1-CZ 3.78Å; Y595-Y620 WeakPolarHBondContact CE1-OH 3.45Å; I600-Y620 HydrophobicContact CG1-CD1 4.34Å; I600-Y620 HydrophobicContact CG1-CE1 3.99Å; V618-Y620 HydrophobicContact CG1-CE1 4.43Å; Y620-D622 VanDerWaalsContact C-N 3.32Å; Y620-D622 PolarHBondContact O-N 2.98Å; Y620-L629 HydrophobicContact CE2-CB 3.61Å; Y620-L629 WeakPolarHBondContact OH-CB 3.45Å; Y620-L629 WeakPolarHBondContact OH-CD2 3.47Å
621R77.7Confident81.2Confident132 Ų13265.4 Ų65.450%0.49835%0.349SS..SBendtrans-69.4-25.3177.9-66.1-178.7-175.1-113.91.3113.8D598 Q599 E601D598-R621 PolarHBondContact O-NE 2.83Å; Q599-R621 PolarHBondContact O-N 3.46Å; Q599-R621 VanDerWaalsContact O-N 3.09Å; E601-R621 HydrophobicContact CB-CG 3.8Å; E601-R621 HydrophobicContact CG-CG 4.37Å
622D66.3Low81.6Confident136 Ų13660 Ų6073%0.72733%0.326SS*.  trans-114.1124.4-173.8-154.3-5000112.8Y620Y620-D622 VanDerWaalsContact C-N 3.32Å; Y620-D622 PolarHBondContact O-N 2.98Å
623A54.7Low81.9Confident83 Ų8357.5 Ų57.569%0.68630%0.298SS*.  trans-100.624.9-157.500000115
624A53.7Low81.8Confident83 Ų8359.8 Ų59.869%0.68631%0.309SS*.SBendtrans-91.7-2.2-167.300000117.3
625K51Low81.7Confident201 Ų20156.4 Ų56.487%0.87429%0.294SS*.SBendtrans180118.6162.1-103.2157.3-173.3-178.40109.1
626D56.3Low81.5Confident82 Ų8262.8 Ų62.844%0.43932%0.324SS..  trans54.684.6-173.1-98.7-11.9000115.2G563 P564 R628G563-D626 WeakPolarHBondContact CA-OD2 3.21Å; P564-D626 WeakPolarHBondContact CD-OD2 3.33Å; P564-D626 WeakPolarHBondContact CG-OD2 3.28Å; D626-R628 PolarHBondContact O-N 3.27Å
627A69.5Low81.4Confident54 Ų5463.5 Ų63.545%0.44633%0.327SS..SBendtrans-6713.4-177.700000115.6
628R85.8Confident81.4Confident141 Ų14163.4 Ų63.453%0.53233%0.327SS..EExtended strand (participates in β ladder)trans-154.9145.9179.265.5-177.9-176.7179.10.4112.9I617 V618 D626 V630I617-R628 HydrophobicContact CG2-CB 4.39Å; V618-R628 CarbonylContact O-C 3.14Å; V618-R628 WeakPolarHBondContact O-CA 3.01Å; V618-R628 WeakPolarHBondContact O-CB 3.24Å; D626-R628 PolarHBondContact O-N 3.27Å; R628-V630 HydrophobicContact CG-CG2 4.25Å
629L90Very high81.6Confident5 Ų563.9 Ų63.93%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-102.6131.8165.3168.372.8000108.4K560 L581 L583 Y595 V618 Y620 L631K560-L629 HydrophobicContact CD-CD1 3.73Å; K560-L629 HydrophobicContact CG-CD1 3.68Å; L581-L629 HydrophobicContact CD2-CD2 4.12Å; L583-L629 HydrophobicContact CD1-CD1 4.42Å; Y595-L629 HydrophobicContact CD1-CD2 4.37Å; Y595-L629 HydrophobicContact CD2-CD2 4.36Å; Y595-L629 HydrophobicContact CE1-CD2 4.27Å; Y595-L629 HydrophobicContact CE2-CD2 4.34Å; Y595-L629 HydrophobicContact CG-CD2 4.36Å; V618-L629 HydrophobicContact CB-CB 4.13Å; V618-L629 HydrophobicContact CG2-CD2 4.48Å; V618-L629 PolarHBondContact N-O 2.91Å; V618-L629 PolarHBondContact O-N 3.38Å; Y620-L629 HydrophobicContact CE2-CB 3.61Å; Y620-L629 WeakPolarHBondContact OH-CB 3.45Å; Y620-L629 WeakPolarHBondContact OH-CD2 3.47Å; L629-L631 HydrophobicContact CD1-CD2 3.85Å; L629-L631 HydrophobicContact CD1-CG 4.32Å; L629-L631 HydrophobicContact CD2-CD1 3.94Å; L629-L631 HydrophobicContact CD2-CD2 4.14Å; L629-L631 HydrophobicContact CD2-CG 4.06Å; L629-L631 HydrophobicContact CG-CD1 4.34Å; L629-L631 HydrophobicContact CG-CD2 3.99Å; L629-L631 HydrophobicContact CG-CG 3.92Å
630V93.4Very high81.8Confident6 Ų662.4 Ų62.44%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-116.9119.1178.8-177.60000108.1L561 W569 V610 I616 I617 R628L561-V630 HydrophobicContact CB-CB 3.82Å; L561-V630 HydrophobicContact CB-CG1 4.19Å; L561-V630 HydrophobicContact CD2-CB 4.23Å; L561-V630 HydrophobicContact CD2-CG1 4.32Å; L561-V630 HydrophobicContact CD2-CG2 4.35Å; L561-V630 PolarHBondContact N-O 2.88Å; W569-V630 HydrophobicContact CH2-CG1 3.73Å; W569-V630 HydrophobicContact CZ3-CG1 4.16Å; V610-V630 HydrophobicContact CB-CG1 4.21Å; V610-V630 HydrophobicContact CG1-CG1 4.15Å; V610-V630 HydrophobicContact CG2-CG1 4.23Å; I616-V630 WeakPolarHBondContact O-CA 3.21Å; I617-V630 HydrophobicContact CD1-CB 4.21Å; I617-V630 HydrophobicContact CD1-CG1 3.77Å; I617-V630 HydrophobicContact CD1-CG2 3.77Å; R628-V630 HydrophobicContact CG-CG2 4.25Å
631L95Very high82.4Confident2 Ų261 Ų611%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-119.4144.1-179.3-57.6171.4000110.3I558 K559 K560 L581 L583 S615 I616 L629 L646I558-L631 HydrophobicContact CD1-CB 3.8Å; I558-L631 HydrophobicContact CD1-CD1 4.12Å; I558-L631 HydrophobicContact CD1-CG 4.36Å; I558-L631 HydrophobicContact CG1-CB 4.32Å; I558-L631 HydrophobicContact CG2-CD2 4.38Å; K559-L631 CarbonylContact O-C 3.56Å; K559-L631 WeakPolarHBondContact O-CA 3.29Å; K560-L631 HydrophobicContact CB-CD2 4.07Å; K560-L631 HydrophobicContact CG-CD2 4.38Å; L581-L631 HydrophobicContact CD2-CD1 4.07Å; L583-L631 HydrophobicContact CD1-CD2 4.26Å; S615-L631 CarbonylContact C-O 3.6Å; S615-L631 WeakPolarHBondContact CA-O 3.44Å; S615-L631 WeakPolarHBondContact CB-O 3.22Å; I616-L631 HydrophobicContact CB-CB 4.3Å; I616-L631 PolarHBondContact N-O 2.86Å; I616-L631 PolarHBondContact O-N 2.82Å; L629-L631 HydrophobicContact CD1-CD2 3.85Å; L629-L631 HydrophobicContact CD1-CG 4.32Å; L629-L631 HydrophobicContact CD2-CD1 3.94Å; L629-L631 HydrophobicContact CD2-CD2 4.14Å; L629-L631 HydrophobicContact CD2-CG 4.06Å; L629-L631 HydrophobicContact CG-CD1 4.34Å; L629-L631 HydrophobicContact CG-CD2 3.99Å; L629-L631 HydrophobicContact CG-CG 3.92Å; L631-L646 HydrophobicContact CD1-CD2 4.27Å
632T95.5Very high83.3Confident4 Ų454.9 Ų54.93%0.02530%0.298CS..EExtended strand (participates in β ladder)trans-140.4160.1171.7-179.50000108.8I558 K559 W569 E613 Q614I558-T632 WeakPolarHBondContact CG1-O 3.35Å; K559-T632 HydrophobicContact CB-CG2 3.55Å; K559-T632 HydrophobicContact CD-CG2 4.08Å; K559-T632 HydrophobicContact CG-CG2 4.42Å; K559-T632 PolarHBondContact N-O 3.3Å; K559-T632 PolarHBondContact O-N 2.72Å; W569-T632 HydrophobicContact CD2-CG2 3.84Å; W569-T632 HydrophobicContact CE3-CG2 3.45Å; W569-T632 VanDerWaalsContact CE3-CG2 3.45Å; W569-T632 HydrophobicContact CH2-CG2 3.49Å; W569-T632 VanDerWaalsContact CH2-CG2 3.49Å; W569-T632 HydrophobicContact CZ2-CG2 3.88Å; W569-T632 HydrophobicContact CZ3-CG2 3.26Å; E613-T632 WeakPolarHBondContact OE2-CB 3.13Å; E613-T632 WeakPolarHBondContact OE2-CG2 3.49Å; E613-T632 PolarHBondContact OE2-OG1 2.85Å; Q614-T632 PolarHBondContact O-OG1 3.42Å
633A93.4Very high84.7Confident8 Ų849.3 Ų49.37%0.06627%0.267CS..  trans-117.5171.3179.600000111.1D635 L639A633-D635 VanDerWaalsContact C-N 3.27Å; A633-D635 PolarHBondContact O-N 3.47Å; A633-L639 HydrophobicContact CB-CB 3.9Å; A633-L639 HydrophobicContact CB-CD1 4.43Å
634Q88.1Confident86.6Confident101 Ų10148.2 Ų48.247%0.47225%0.252SS..SBendtrans-70.3-25.5179.670.3-168.92.600113.1
635D91.7Very high88.6Confident20 Ų2047 Ų4711%0.10723%0.23CC..SBendtrans-148160.3-173.772.282.8000111.3N173 N177 A633 I637 S638 L639N173-D635 PolarHBondContact ND2-OD2 3Å; N177-D635 HydrophobicContact CB-CB 4.2Å; N177-D635 VanDerWaalsContact CG-CB 3.46Å; N177-D635 WeakPolarHBondContact ND2-CB 3.08Å; N177-D635 PolarHBondContact ND2-OD1 3.15Å; N177-D635 WeakPolarHBondContact OD1-CB 3.43Å; N177-D635 PolarHBondContact OD1-OD1 2.87Å; A633-D635 VanDerWaalsContact C-N 3.27Å; A633-D635 PolarHBondContact O-N 3.47Å; D635-I637 PolarHBondContact O-N 3.2Å; D635-I637 WeakPolarHBondContact OD1-CB 3.46Å; D635-I637 PolarHBondContact OD1-N 3.08Å; D635-S638 VanDerWaalsContact CG-OG 3.29Å; D635-S638 PolarHBondContact O-N 3.25Å; D635-S638 PolarHBondContact OD1-N 2.99Å; D635-S638 PolarHBondContact OD1-OG 2.91Å; D635-S638 WeakPolarHBondContact OD2-CB 3.47Å; D635-S638 PolarHBondContact OD2-OG 2.88Å; D635-L639 WeakPolarHBondContact O-CB 3.23Å; D635-L639 PolarHBondContact O-N 3.17Å
636E92.1Very high90.8Very high133 Ų13337.5 Ų37.562%0.62119%0.189SC*.Hα-helixtrans-66.3-37.7-172.2-178.8174.6-178.800112.4L639 N640E636-L639 PolarHBondContact O-N 2.9Å; E636-N640 WeakPolarHBondContact CG-ND2 3.45Å; E636-N640 WeakPolarHBondContact O-CB 3.47Å; E636-N640 VanDerWaalsContact O-CG 3.28Å; E636-N640 PolarHBondContact O-N 3.44Å; E636-N640 PolarHBondContact O-ND2 3.2Å; E636-N640 VanDerWaalsContact O-ND2 3.16Å
637I93.9Very high92.6Very high16 Ų1639.6 Ų39.68%0.08219%0.19CC..Hα-helixtrans-62.8-52.2177.4-66.8172.2000109.2M43 Y46 L176 D635 L639 N640 E641M43-I637 HydrophobicContact SD-CG2 4.04Å; Y46-I637 HydrophobicContact CD1-CG2 4.37Å; Y46-I637 HydrophobicContact CD2-CG1 4.42Å; Y46-I637 HydrophobicContact CD2-CG2 3.58Å; Y46-I637 HydrophobicContact CE1-CD1 4.29Å; Y46-I637 HydrophobicContact CE2-CD1 4.29Å; Y46-I637 HydrophobicContact CE2-CG1 4.15Å; Y46-I637 HydrophobicContact CE2-CG2 4.17Å; Y46-I637 HydrophobicContact CG-CG2 3.69Å; L176-I637 HydrophobicContact CB-CD1 3.5Å; L176-I637 VanDerWaalsContact CB-CD1 3.5Å; L176-I637 HydrophobicContact CD1-CD1 3.8Å; L176-I637 HydrophobicContact CG-CD1 4.3Å; D635-I637 PolarHBondContact O-N 3.2Å; D635-I637 WeakPolarHBondContact OD1-CB 3.46Å; D635-I637 PolarHBondContact OD1-N 3.08Å; I637-L639 VanDerWaalsContact C-N 3.3Å; I637-L639 PolarHBondContact O-N 3.47Å; I637-N640 PolarHBondContact O-N 3.5Å; I637-E641 HydrophobicContact CG2-CG 4.36Å; I637-E641 WeakPolarHBondContact O-CG 3.33Å; I637-E641 PolarHBondContact O-N 3.4Å
638S94.7Very high93.9Very high5 Ų540.5 Ų40.54%0.03519%0.19CC..Hα-helixtrans-55-46.3176.1-65.80000112D635 N640 E641 W642D635-S638 VanDerWaalsContact CG-OG 3.29Å; D635-S638 PolarHBondContact O-N 3.25Å; D635-S638 PolarHBondContact OD1-N 2.99Å; D635-S638 PolarHBondContact OD1-OG 2.91Å; D635-S638 WeakPolarHBondContact OD2-CB 3.47Å; D635-S638 PolarHBondContact OD2-OG 2.88Å; S638-N640 PolarHBondContact O-N 3.08Å; S638-E641 PolarHBondContact O-N 3.3Å; S638-W642 WeakPolarHBondContact O-CB 3.26Å; S638-W642 PolarHBondContact O-N 3.42Å
639L95.9Very high94.3Very high12 Ų1234.2 Ų34.26%0.06317%0.168CC..Hα-helixtrans-60.7-46.2179.3-177.961.8000112L607 Q614 I616 A633 D635 E636 I637 W642 H643L607-L639 HydrophobicContact CD1-CD2 3.75Å; L607-L639 HydrophobicContact CD1-CG 3.99Å; L607-L639 HydrophobicContact CD2-CD1 4.13Å; L607-L639 HydrophobicContact CD2-CD2 4.22Å; L607-L639 HydrophobicContact CD2-CG 4Å; Q614-L639 HydrophobicContact CB-CD2 3.59Å; Q614-L639 WeakPolarHBondContact O-CD2 3.47Å; I616-L639 HydrophobicContact CD1-CD1 4.02Å; I616-L639 HydrophobicContact CG1-CD1 3.89Å; A633-L639 HydrophobicContact CB-CB 3.9Å; A633-L639 HydrophobicContact CB-CD1 4.43Å; D635-L639 WeakPolarHBondContact O-CB 3.23Å; D635-L639 PolarHBondContact O-N 3.17Å; E636-L639 PolarHBondContact O-N 2.9Å; I637-L639 VanDerWaalsContact C-N 3.3Å; I637-L639 PolarHBondContact O-N 3.47Å; L639-W642 PolarHBondContact O-N 2.99Å; L639-H643 VanDerWaalsContact O-CB 3.29Å; L639-H643 WeakPolarHBondContact O-CB 3.47Å; L639-H643 PolarHBondContact O-N 3.38Å
640N95.4Very high94.5Very high53 Ų5334.9 Ų34.928%0.28317%0.171SC..Hα-helixtrans-68.4-39.8-178.3-75.6-32.6000112.5L607 E636 I637 S638 H643 T644L607-N640 WeakPolarHBondContact CD1-OD1 3.42Å; E636-N640 WeakPolarHBondContact CG-ND2 3.45Å; E636-N640 WeakPolarHBondContact O-CB 3.47Å; E636-N640 VanDerWaalsContact O-CG 3.28Å; E636-N640 PolarHBondContact O-N 3.44Å; E636-N640 PolarHBondContact O-ND2 3.2Å; E636-N640 VanDerWaalsContact O-ND2 3.16Å; I637-N640 PolarHBondContact O-N 3.5Å; S638-N640 PolarHBondContact O-N 3.08Å; N640-H643 PolarHBondContact O-N 3.34Å; N640-T644 VanDerWaalsContact O-CB 3.3Å; N640-T644 WeakPolarHBondContact O-CB 3.44Å; N640-T644 PolarHBondContact O-N 3.47Å; N640-T644 PolarHBondContact O-OG1 3.18Å
641E95.6Very high94.5Very high4 Ų440.7 Ų40.72%0.01920%0.195CC..Hα-helixtrans-65.5-48.2174-64.1-39.7126.600110.9V42 K49 I554 I637 S638 H643 T644 Y645V42-E641 HydrophobicContact CG1-CB 3.99Å; V42-E641 HydrophobicContact CG1-CG 3.91Å; K49-E641 IonicContact NZ-OE1 3.93Å; K49-E641 PolarHBondContact NZ-OE1 2.82Å; K49-E641 IonicContact NZ-OE2 2.88Å; K49-E641 PolarHBondContact NZ-OE2 2.69Å; I554-E641 HydrophobicContact CD1-CB 4.09Å; I637-E641 HydrophobicContact CG2-CG 4.36Å; I637-E641 WeakPolarHBondContact O-CG 3.33Å; I637-E641 PolarHBondContact O-N 3.4Å; S638-E641 PolarHBondContact O-N 3.3Å; E641-H643 VanDerWaalsContact C-N 3.29Å; E641-H643 PolarHBondContact O-N 2.94Å; E641-T644 PolarHBondContact O-N 3.46Å; E641-Y645 HydrophobicContact CB-CD2 4.42Å; E641-Y645 VanDerWaalsContact O-CD2 3.27Å; E641-Y645 WeakPolarHBondContact O-CD2 3.44Å; E641-Y645 PolarHBondContact O-N 3.2Å
642W96.4Very high94.4Very high4 Ų444.5 Ų44.52%0.01522%0.219CC..Hα-helixtrans-56.8-43.6176.1-86110.5000112I554 I558 A574 L576 L581 I616 S638 L639 L646I554-W642 HydrophobicContact CG2-CD2 4.48Å; I554-W642 HydrophobicContact CG2-CE3 3.96Å; I554-W642 HydrophobicContact CG2-CH2 4.08Å; I554-W642 HydrophobicContact CG2-CZ3 3.77Å; I558-W642 HydrophobicContact CD1-CB 4.2Å; I558-W642 HydrophobicContact CD1-CD2 3.96Å; I558-W642 HydrophobicContact CD1-CE3 4.38Å; I558-W642 HydrophobicContact CD1-CG 3.85Å; A574-W642 HydrophobicContact CB-CH2 3.36Å; A574-W642 HydrophobicContact CB-CZ2 3.77Å; A574-W642 HydrophobicContact CB-CZ3 3.98Å; L576-W642 HydrophobicContact CB-CZ3 3.98Å; L581-W642 HydrophobicContact CD1-CZ3 4.16Å; I616-W642 HydrophobicContact CD1-CB 3.88Å; S638-W642 WeakPolarHBondContact O-CB 3.26Å; S638-W642 PolarHBondContact O-N 3.42Å; L639-W642 PolarHBondContact O-N 2.99Å; W642-L646 WeakPolarHBondContact O-CB 3.42Å; W642-L646 PolarHBondContact O-N 3.3Å
643H96.5Very high94.2Very high19 Ų1945 Ų459%0.08822%0.222CC..Hα-helixtrans-61.8-48.4176.9-179-122.3000111.9A604 A605 L607 I616 L639 N640 E641 R647A604-H643 PolarHBondContact O-NE2 3.02Å; A605-H643 PolarHBondContact O-CE1 3.34Å; L607-H643 HydrophobicContact CD2-CB 4.08Å; I616-H643 HydrophobicContact CD1-CB 3.87Å; I616-H643 HydrophobicContact CG1-CB 3.84Å; L639-H643 VanDerWaalsContact O-CB 3.29Å; L639-H643 WeakPolarHBondContact O-CB 3.47Å; L639-H643 PolarHBondContact O-N 3.38Å; N640-H643 PolarHBondContact O-N 3.34Å; E641-H643 VanDerWaalsContact C-N 3.29Å; E641-H643 PolarHBondContact O-N 2.94Å; H643-R647 VanDerWaalsContact O-CB 3.29Å; H643-R647 WeakPolarHBondContact O-CB 3.23Å; H643-R647 PolarHBondContact O-N 3.5Å
644T95.6Very high93.9Very high59 Ų5945.7 Ų45.736%0.36223%0.227SC..Hα-helixtrans-61.6-50.3-178.9-60.60000111.4N640 E641 T648N640-T644 VanDerWaalsContact O-CB 3.3Å; N640-T644 WeakPolarHBondContact O-CB 3.44Å; N640-T644 PolarHBondContact O-N 3.47Å; N640-T644 PolarHBondContact O-OG1 3.18Å; E641-T644 PolarHBondContact O-N 3.46Å; T644-T648 VanDerWaalsContact O-CB 3.29Å; T644-T648 WeakPolarHBondContact O-CB 3.4Å; T644-T648 PolarHBondContact O-N 3.01Å; T644-T648 PolarHBondContact O-OG1 2.97Å
645Y95.6Very high94Very high59 Ų5944.3 Ų44.323%0.23122%0.22CC..Hα-helixtrans-70.5-40.3-178.1-79.6-76.5000111.9K45 I553 I554 E641 R647 T648 T649K45-Y645 HydrophobicContact CB-CE2 3.93Å; K45-Y645 HydrophobicContact CD-CD2 4.16Å; K45-Y645 HydrophobicContact CD-CE1 4.26Å; K45-Y645 HydrophobicContact CD-CE2 3.51Å; K45-Y645 HydrophobicContact CG-CE2 4.16Å; I553-Y645 HydrophobicContact CG2-CD1 3.49Å; I553-Y645 VanDerWaalsContact CG2-CD1 3.49Å; I553-Y645 HydrophobicContact CG2-CE1 4.13Å; I553-Y645 HydrophobicContact CG2-CG 4.19Å; I554-Y645 HydrophobicContact CD1-CD2 4.01Å; I554-Y645 HydrophobicContact CG2-CG 4.45Å; E641-Y645 HydrophobicContact CB-CD2 4.42Å; E641-Y645 VanDerWaalsContact O-CD2 3.27Å; E641-Y645 WeakPolarHBondContact O-CD2 3.44Å; E641-Y645 PolarHBondContact O-N 3.2Å; Y645-R647 PolarHBondContact O-N 3.32Å; Y645-T648 PolarHBondContact O-N 3.13Å; Y645-T649 VanDerWaalsContact O-CB 3.31Å; Y645-T649 WeakPolarHBondContact O-CB 3.19Å; Y645-T649 PolarHBondContact O-N 2.73Å; Y645-T649 PolarHBondContact O-OG1 3.44Å
646L95.9Very high93.9Very high1 Ų148 Ų481%0.00524%0.239CC..Hα-helixtrans-62.9-43.8177.7-172.663.3000112L576 L581 M597 V603 I616 V618 L631 W642 H650L576-L646 HydrophobicContact CD1-CD1 3.74Å; L581-L646 HydrophobicContact CD2-CD1 4.36Å; M597-L646 HydrophobicContact CE-CD1 3.99Å; V603-L646 HydrophobicContact CG1-CD2 4.31Å; V603-L646 HydrophobicContact CG1-CG 4.35Å; V603-L646 HydrophobicContact CG2-CG 4.31Å; I616-L646 HydrophobicContact CG2-CD2 4.02Å; V618-L646 HydrophobicContact CG2-CD2 3.61Å; L631-L646 HydrophobicContact CD1-CD2 4.27Å; W642-L646 WeakPolarHBondContact O-CB 3.42Å; W642-L646 PolarHBondContact O-N 3.3Å; L646-H650 WeakPolarHBondContact O-CB 3.38Å; L646-H650 PolarHBondContact O-N 3.09Å
647R95.4Very high93.5Very high125 Ų12544.6 Ų44.647%0.47223%0.225SC..Hα-helixtrans-65.4-42.9176.7-174.7-179.7175-156.2-1.3111.9V603 H643 Y645 K651V603-R647 HydrophobicContact CG1-CB 4.23Å; H643-R647 VanDerWaalsContact O-CB 3.29Å; H643-R647 WeakPolarHBondContact O-CB 3.23Å; H643-R647 PolarHBondContact O-N 3.5Å; Y645-R647 PolarHBondContact O-N 3.32Å; R647-K651 WeakPolarHBondContact O-CB 3.35Å; R647-K651 PolarHBondContact O-N 2.6Å
648T94.9Very high93Very high73 Ų7349.3 Ų49.345%0.44825%0.247SC..Hα-helixtrans-64.5-45.5178.5-58.30000110.8T644 Y645 K651 V652T644-T648 VanDerWaalsContact O-CB 3.29Å; T644-T648 WeakPolarHBondContact O-CB 3.4Å; T644-T648 PolarHBondContact O-N 3.01Å; T644-T648 PolarHBondContact O-OG1 2.97Å; Y645-T648 PolarHBondContact O-N 3.13Å; T648-K651 PolarHBondContact O-N 3.21Å; T648-V652 HydrophobicContact CG2-CG2 4.31Å; T648-V652 WeakPolarHBondContact O-CB 3.44Å; T648-V652 VanDerWaalsContact O-CG2 3.3Å; T648-V652 WeakPolarHBondContact O-CG2 3.37Å; T648-V652 PolarHBondContact O-N 3.48Å
649T95.1Very high92.5Very high9 Ų956.6 Ų56.66%0.05527%0.274CS..Hα-helixtrans-60.8-48.4176.4-61.10000111.5I553 L576 Y577 M597 Y645 K651 V652 S653I553-T649 HydrophobicContact CD1-CG2 3.95Å; I553-T649 WeakPolarHBondContact CD1-OG1 3.5Å; L576-T649 HydrophobicContact CD1-CG2 4.21Å; Y577-T649 WeakPolarHBondContact O-CG2 3.43Å; M597-T649 HydrophobicContact CE-CG2 4.05Å; M597-T649 HydrophobicContact CG-CG2 4.14Å; M597-T649 HydrophobicContact SD-CG2 3.9Å; Y645-T649 VanDerWaalsContact O-CB 3.31Å; Y645-T649 WeakPolarHBondContact O-CB 3.19Å; Y645-T649 PolarHBondContact O-N 2.73Å; Y645-T649 PolarHBondContact O-OG1 3.44Å; T649-K651 VanDerWaalsContact C-N 3.32Å; T649-K651 PolarHBondContact O-N 2.89Å; T649-V652 PolarHBondContact O-N 2.9Å; T649-S653 VanDerWaalsContact O-CB 3.28Å; T649-S653 WeakPolarHBondContact O-CB 3.37Å; T649-S653 PolarHBondContact O-N 3Å; T649-S653 PolarHBondContact O-OG 3Å; T649-S653 VanDerWaalsContact O-OG 3.04Å
650H93.8Very high91.8Very high19 Ų1961.3 Ų61.39%0.08830%0.297CS..Hα-helixtrans-57.7-43.7176.9172.5-110.6000112.3M597 I600 E601 V603 L646 S654M597-H650 HydrophobicContact SD-CB 4.39Å; I600-H650 PolarHBondContact O-NE2 3.32Å; E601-H650 PolarHBondContact O-CE1 3.43Å; V603-H650 HydrophobicContact CG2-CB 3.86Å; L646-H650 WeakPolarHBondContact O-CB 3.38Å; L646-H650 PolarHBondContact O-N 3.09Å; H650-S654 VanDerWaalsContact O-CB 3.22Å; H650-S654 WeakPolarHBondContact O-CB 3.5Å; H650-S654 PolarHBondContact O-N 3.04Å; H650-S654 PolarHBondContact O-OG 2.98Å
651K93.3Very high90.8Very high128 Ų12861.6 Ų61.656%0.55730%0.298SS*.Hα-helixtrans-62.6-52.2177.1-177.8-178.6175.2-1750111.8R647 T648 T649 S653 S654 E655R647-K651 WeakPolarHBondContact O-CB 3.35Å; R647-K651 PolarHBondContact O-N 2.6Å; T648-K651 PolarHBondContact O-N 3.21Å; T649-K651 VanDerWaalsContact C-N 3.32Å; T649-K651 PolarHBondContact O-N 2.89Å; K651-S653 VanDerWaalsContact C-N 3.34Å; K651-S653 PolarHBondContact O-N 3.11Å; K651-S654 PolarHBondContact O-N 3.12Å; K651-E655 WeakPolarHBondContact CE-OE1 3.24Å; K651-E655 WeakPolarHBondContact O-CG 3.31Å; K651-E655 PolarHBondContact O-N 3.45Å
652V93.4Very high89.8Confident82 Ų8268.3 Ų68.350%0.49733%0.327SS..Hα-helixtrans-61.7-43.4-178.7171.70000110.8T648 T649 E655 L656T648-V652 HydrophobicContact CG2-CG2 4.31Å; T648-V652 WeakPolarHBondContact O-CB 3.44Å; T648-V652 VanDerWaalsContact O-CG2 3.3Å; T648-V652 WeakPolarHBondContact O-CG2 3.37Å; T648-V652 PolarHBondContact O-N 3.48Å; T649-V652 PolarHBondContact O-N 2.9Å; V652-E655 PolarHBondContact O-N 3.1Å; V652-L656 WeakPolarHBondContact O-CB 3.24Å; V652-L656 PolarHBondContact O-N 2.94Å
653S91Very high88.6Confident14 Ų1474.9 Ų74.910%0.09836%0.356CS..Hα-helixtrans-68.8-38.3179.2-61.60000112.1P578 T649 K651 L656 L657P578-S653 PolarHBondContact O-OG 2.67Å; T649-S653 VanDerWaalsContact O-CB 3.28Å; T649-S653 WeakPolarHBondContact O-CB 3.37Å; T649-S653 PolarHBondContact O-N 3Å; T649-S653 PolarHBondContact O-OG 3Å; T649-S653 VanDerWaalsContact O-OG 3.04Å; K651-S653 VanDerWaalsContact C-N 3.34Å; K651-S653 PolarHBondContact O-N 3.11Å; S653-L656 PolarHBondContact O-N 3.35Å; S653-L657 WeakPolarHBondContact O-CB 3.49Å; S653-L657 VanDerWaalsContact O-CG 3.28Å; S653-L657 WeakPolarHBondContact O-CG 3.27Å; S653-L657 PolarHBondContact O-N 2.84Å
654S88.1Confident86.8Confident23 Ų2375.9 Ų75.916%0.16137%0.368CS..Hα-helixtrans-62.5-44.3172.5-66.20000112H650 K651 L656 L657 Q658H650-S654 VanDerWaalsContact O-CB 3.22Å; H650-S654 WeakPolarHBondContact O-CB 3.5Å; H650-S654 PolarHBondContact O-N 3.04Å; H650-S654 PolarHBondContact O-OG 2.98Å; K651-S654 PolarHBondContact O-N 3.12Å; S654-L656 VanDerWaalsContact C-N 3.34Å; S654-L657 PolarHBondContact O-N 3.35Å; S654-Q658 WeakPolarHBondContact O-CB 3.29Å; S654-Q658 VanDerWaalsContact O-CG 3.24Å; S654-Q658 WeakPolarHBondContact O-CG 3.26Å; S654-Q658 PolarHBondContact O-N 3.43Å
655E89.7Confident85.3Confident72 Ų7277.3 Ų77.334%0.33637%0.372SS..Hα-helixtrans-63.6-39.9175.5-73.3178.4-16400111.9K651 V652 Q658 R659K651-E655 WeakPolarHBondContact CE-OE1 3.24Å; K651-E655 WeakPolarHBondContact O-CG 3.31Å; K651-E655 PolarHBondContact O-N 3.45Å; V652-E655 PolarHBondContact O-N 3.1Å; E655-Q658 PolarHBondContact O-N 3.16Å; E655-R659 VanDerWaalsContact O-CG 3.3Å; E655-R659 WeakPolarHBondContact O-CG 3.41Å; E655-R659 PolarHBondContact O-N 3.31Å
656L88.9Confident84.1Confident97 Ų9783.3 Ų83.351%0.50840%0.399SS..Hα-helixtrans-64.1-47.7177.1-173.467.1000111.3V652 S653 S654 Q658 R659 M660V652-L656 WeakPolarHBondContact O-CB 3.24Å; V652-L656 PolarHBondContact O-N 2.94Å; S653-L656 PolarHBondContact O-N 3.35Å; S654-L656 VanDerWaalsContact C-N 3.34Å; L656-Q658 VanDerWaalsContact C-N 3.34Å; L656-Q658 PolarHBondContact O-N 3.3Å; L656-R659 PolarHBondContact O-N 3.45Å; L656-R659 VanDerWaalsContact O-N 3.17Å; L656-M660 HydrophobicContact CG-SD 4.28Å; L656-M660 WeakPolarHBondContact O-CB 3.37Å; L656-M660 WeakPolarHBondContact O-CG 3.29Å; L656-M660 PolarHBondContact O-N 3.09Å
657L83.8Confident82.6Confident63 Ų6388.9 Ų88.933%0.3343%0.428SS..Hα-helixtrans-61.4-40.9176.3-72.2166.1000111.6D598 S653 S654 R659 M660 N661D598-L657 HydrophobicContact CB-CD1 3.59Å; S653-L657 WeakPolarHBondContact O-CB 3.49Å; S653-L657 VanDerWaalsContact O-CG 3.28Å; S653-L657 WeakPolarHBondContact O-CG 3.27Å; S653-L657 PolarHBondContact O-N 2.84Å; S654-L657 PolarHBondContact O-N 3.35Å; L657-R659 PolarHBondContact O-N 3.13Å; L657-M660 PolarHBondContact O-N 2.71Å; L657-N661 WeakPolarHBondContact O-CB 3.27Å; L657-N661 PolarHBondContact O-N 3.19Å
658Q83.7Confident80.9Confident115 Ų11591 Ų9154%0.53744%0.437SS..Hα-helixtrans-62.4-41.7173.9-74.4175.914.600112.3S654 E655 L656 K662S654-Q658 WeakPolarHBondContact O-CB 3.29Å; S654-Q658 VanDerWaalsContact O-CG 3.24Å; S654-Q658 WeakPolarHBondContact O-CG 3.26Å; S654-Q658 PolarHBondContact O-N 3.43Å; E655-Q658 PolarHBondContact O-N 3.16Å; L656-Q658 VanDerWaalsContact C-N 3.34Å; L656-Q658 PolarHBondContact O-N 3.3Å; Q658-K662 WeakPolarHBondContact O-CB 3.41Å; Q658-K662 VanDerWaalsContact O-CG 3.3Å; Q658-K662 WeakPolarHBondContact O-CG 3.26Å; Q658-K662 PolarHBondContact O-N 2.82Å
659R85.4Confident79.1Confident158 Ų15890.8 Ų90.860%0.59645%0.449SS*.Hα-helixtrans-67-39.6175.7-72.8174.3-172.2179.56.4111.6E655 L656 L657 K662 K663E655-R659 VanDerWaalsContact O-CG 3.3Å; E655-R659 WeakPolarHBondContact O-CG 3.41Å; E655-R659 PolarHBondContact O-N 3.31Å; L656-R659 PolarHBondContact O-N 3.45Å; L656-R659 VanDerWaalsContact O-N 3.17Å; L657-R659 PolarHBondContact O-N 3.13Å; R659-K662 PolarHBondContact O-N 2.97Å; R659-K663 WeakPolarHBondContact O-CB 3.47Å; R659-K663 WeakPolarHBondContact O-CG 3.44Å; R659-K663 PolarHBondContact O-N 3.06Å
660M80.4Confident76.9Confident110 Ų11095.1 Ų95.154%0.54247%0.472SS..Hα-helixtrans-65-45175.8-74.6-179.566.700111.2L656 L657 K662 K663 A664L656-M660 HydrophobicContact CG-SD 4.28Å; L656-M660 WeakPolarHBondContact O-CB 3.37Å; L656-M660 WeakPolarHBondContact O-CG 3.29Å; L656-M660 PolarHBondContact O-N 3.09Å; L657-M660 PolarHBondContact O-N 2.71Å; M660-K662 PolarHBondContact O-N 2.97Å; M660-K663 CarbonylContact O-C 3.59Å; M660-K663 PolarHBondContact O-N 2.94Å; M660-K663 VanDerWaalsContact O-N 3.17Å; M660-A664 VanDerWaalsContact O-CB 3.32Å; M660-A664 WeakPolarHBondContact O-CB 3.34Å; M660-A664 PolarHBondContact O-N 3.42Å
661N75Confident74.8Confident59 Ų59102.9 Ų102.932%0.31651%0.514SS..Hα-helixtrans-60.3-44.5174.4-76.1-12.9000111.2L657 K663 A664 I665L657-N661 WeakPolarHBondContact O-CB 3.27Å; L657-N661 PolarHBondContact O-N 3.19Å; N661-K663 PolarHBondContact O-N 3.13Å; N661-A664 PolarHBondContact O-N 2.82Å; N661-I665 WeakPolarHBondContact O-CB 3.36Å; N661-I665 WeakPolarHBondContact O-CD1 3.46Å; N661-I665 WeakPolarHBondContact O-CG1 3.31Å; N661-I665 PolarHBondContact O-N 3.34Å
662K74.6Confident72.4Confident145 Ų145104 Ų10463%0.6352%0.516SS*.Hα-helixtrans-60.7-41.7174-74.2175-178.3178.90112.6Q658 R659 M660 K666Q658-K662 WeakPolarHBondContact O-CB 3.41Å; Q658-K662 VanDerWaalsContact O-CG 3.3Å; Q658-K662 WeakPolarHBondContact O-CG 3.26Å; Q658-K662 PolarHBondContact O-N 2.82Å; R659-K662 PolarHBondContact O-N 2.97Å; M660-K662 PolarHBondContact O-N 2.97Å; K662-K666 VanDerWaalsContact O-CB 3.31Å; K662-K666 WeakPolarHBondContact O-CB 3.36Å; K662-K666 PolarHBondContact O-N 3.43Å
663K70.7Confident70.3Confident143 Ų143103.7 Ų103.762%0.62251%0.511SS*.Hα-helixtrans-67-42.2175.4-79.7-174.7178-176.90111.7R659 M660 N661 K666 I667R659-K663 WeakPolarHBondContact O-CB 3.47Å; R659-K663 WeakPolarHBondContact O-CG 3.44Å; R659-K663 PolarHBondContact O-N 3.06Å; M660-K663 CarbonylContact O-C 3.59Å; M660-K663 PolarHBondContact O-N 2.94Å; M660-K663 VanDerWaalsContact O-N 3.17Å; N661-K663 PolarHBondContact O-N 3.13Å; K663-K666 PolarHBondContact O-N 3.49Å; K663-I667 WeakPolarHBondContact O-CB 3.36Å; K663-I667 WeakPolarHBondContact O-CG1 3.34Å; K663-I667 PolarHBondContact O-N 3.11Å
664A58.8Low68.4Low40 Ų40106.4 Ų106.433%0.33153%0.528SS..Hα-helixtrans-64.8-44.9178.400000111.2M660 N661 K666 I667 Y668M660-A664 VanDerWaalsContact O-CB 3.32Å; M660-A664 WeakPolarHBondContact O-CB 3.34Å; M660-A664 PolarHBondContact O-N 3.42Å; N661-A664 PolarHBondContact O-N 2.82Å; A664-K666 VanDerWaalsContact C-N 3.29Å; A664-K666 PolarHBondContact O-N 3.46Å; A664-I667 PolarHBondContact O-N 2.92Å; A664-Y668 HydrophobicContact CB-CD2 4.4Å; A664-Y668 WeakPolarHBondContact O-CB 3.48Å; A664-Y668 WeakPolarHBondContact O-CD2 3.29Å; A664-Y668 PolarHBondContact O-N 3.18Å
665I63.6Low66.6Low88 Ų88110.9 Ų110.945%0.45155%0.548SS..Hα-helixtrans-58.3-43.2172.6-67.9163.6000110.3N661 G669N661-I665 WeakPolarHBondContact O-CB 3.36Å; N661-I665 WeakPolarHBondContact O-CD1 3.46Å; N661-I665 WeakPolarHBondContact O-CG1 3.31Å; N661-I665 PolarHBondContact O-N 3.34Å; I665-G669 WeakPolarHBondContact O-CA 3.34Å; I665-G669 PolarHBondContact O-N 3.29Å
666K69.8Low64.7Low186 Ų186113.6 Ų113.681%0.80956%0.564SS**Hα-helixtrans-68.3-37.2178.9-171.3177.1-178.8-179.70113.5K662 K663 A664K662-K666 VanDerWaalsContact O-CB 3.31Å; K662-K666 WeakPolarHBondContact O-CB 3.36Å; K662-K666 PolarHBondContact O-N 3.43Å; K663-K666 PolarHBondContact O-N 3.49Å; A664-K666 VanDerWaalsContact C-N 3.29Å; A664-K666 PolarHBondContact O-N 3.46Å
667I66Low62.3Low118 Ų118116.5 Ų116.561%0.60558%0.577SS**Hα-helixtrans-81.3-44.8-176.8-68.8166.3000111K663 A664K663-I667 WeakPolarHBondContact O-CB 3.36Å; K663-I667 WeakPolarHBondContact O-CG1 3.34Å; K663-I667 PolarHBondContact O-N 3.11Å; A664-I667 PolarHBondContact O-N 2.92Å
668Y59.8Low60.3Low169 Ų169121.2 Ų121.266%0.66360%0.603SS**Hα-helixtrans-101.4-7.8-169.3-62.6-73.1000113.9A664 L670A664-Y668 HydrophobicContact CB-CD2 4.4Å; A664-Y668 WeakPolarHBondContact O-CB 3.48Å; A664-Y668 WeakPolarHBondContact O-CD2 3.29Å; A664-Y668 PolarHBondContact O-N 3.18Å; Y668-L670 PolarHBondContact O-N 3.41Å
669G55.9Low58.2Low68 Ų68127.5 Ų127.570%0.70162%0.621SS**  trans60.713.8173.700000115I665I665-G669 WeakPolarHBondContact O-CA 3.34Å; I665-G669 PolarHBondContact O-N 3.29Å
670L48.7Very low56Low101 Ų101124.5 Ų124.553%0.52963%0.63SS.*  trans-94.6136-179.5-70.9162.8000109Y668 Y672Y668-L670 PolarHBondContact O-N 3.41Å; L670-Y672 HydrophobicContact CB-CD2 4.5Å; L670-Y672 HydrophobicContact CD1-CD2 4.38Å; L670-Y672 PolarHBondContact O-N 2.96Å
671N49.4Very low54.2Low181 Ų181124.5 Ų124.597%0.96865%0.648SS**  trans-63.456.2153.8-81.9-21.7000109.4D673N671-D673 PolarHBondContact O-N 3.13Å
672Y43.8Very low52.4Low153 Ų153126.9 Ų126.960%0.667%0.669SS**  trans-92.396.2177.6-147.3-94.3000105.9L670 P674L670-Y672 HydrophobicContact CB-CD2 4.5Å; L670-Y672 HydrophobicContact CD1-CD2 4.38Å; L670-Y672 PolarHBondContact O-N 2.96Å; Y672-P674 HydrophobicContact CD1-CG 4.13Å; Y672-P674 WeakPolarHBondContact O-CD 3.29Å
673D50.1Low50.7Low75 Ų75125.4 Ų125.440%0.40168%0.675SS.*  trans-89.2104.5159.6-174.6-2.6000107.1N671 M675 L676N671-D673 PolarHBondContact O-N 3.13Å; D673-M675 PolarHBondContact O-N 3.35Å; D673-M675 VanDerWaalsContact O-N 3.09Å; D673-M675 WeakPolarHBondContact OD1-CB 3.38Å; D673-M675 PolarHBondContact OD1-N 3.14Å; D673-L676 HydrophobicContact CB-CB 4.41Å; D673-L676 HydrophobicContact CB-CD1 4Å; D673-L676 HydrophobicContact CB-CG 4.46Å; D673-L676 PolarHBondContact O-N 2.99Å; D673-L676 WeakPolarHBondContact OD2-CD1 3.37Å
674P49.5Very low48.9Very low71 Ų71128.3 Ų128.346%0.46169%0.687SS.*G310 helixtrans-62.9-12.6176.2-1327.3000112.4Y672Y672-P674 HydrophobicContact CD1-CG 4.13Å; Y672-P674 WeakPolarHBondContact O-CD 3.29Å
675M52Low47.9Very low116 Ų116132 Ų13257%0.57171%0.711SS**G310 helixtrans-85.6-4.6-179.2-56.6-162.966.700114.3D673D673-M675 PolarHBondContact O-N 3.35Å; D673-M675 VanDerWaalsContact O-N 3.09Å; D673-M675 WeakPolarHBondContact OD1-CB 3.38Å; D673-M675 PolarHBondContact OD1-N 3.14Å
676L49.7Very low46.8Very low129 Ų129137.6 Ų137.668%0.67574%0.735SS**G310 helixtrans-1044.5-176-86.3166.5000115D673D673-L676 HydrophobicContact CB-CB 4.41Å; D673-L676 HydrophobicContact CB-CD1 4Å; D673-L676 HydrophobicContact CB-CG 4.46Å; D673-L676 PolarHBondContact O-N 2.99Å; D673-L676 WeakPolarHBondContact OD2-CD1 3.37Å
677M37.3Very low45.3Very low158 Ų158139.4 Ų139.478%0.77874%0.737SS**  trans-114.172.9-176.8-72.9-84.715900112.3
678D41.7Very low44.1Very low163 Ų163140 Ų14087%0.87274%0.739SS**SBendtrans-144.629.8149.6-146.65.5000112.3
679R40.6Very low43.1Very low246 Ų246137.8 Ų137.893%0.92874%0.739SS**  trans-12658.6176.5-72-172.1178.3-178.40.9111.6
680A39Very low42.4Very low95 Ų95142 Ų14279%0.78574%0.74SS**  trans-158.691.116000000109.7S682A680-S682 PolarHBondContact O-N 3.43Å
681A41.5Very low42Very low110 Ų110142.4 Ų142.491%0.90975%0.747SS**  trans-66.3122.8175.800000111.6
682S37.1Very low41.6Very low110 Ų110143.9 Ų143.977%0.76974%0.739SS**  trans-1.2139.2160.1-167.50000121.1A680A680-S682 PolarHBondContact O-N 3.43Å
683P39.2Very low41.6Very low114 Ų114142.6 Ų142.674%0.7474%0.742SS**  trans-89.5142.4169.635.1-29.8000114.3
684K33.7Very low41.1Very low204 Ų204146.3 Ų146.389%0.88776%0.759SS**  trans17.4116.7148.9-64.7179.4176.5178.90118.8
685S38Very low41Very low118 Ų118149.6 Ų149.683%0.82577%0.773SS**  -179.9119.4117.8550000112
686E41Very low40.8Very low204 Ų204158.7 Ų158.795%0.95380%0.803SS**  trans-139131.2152.2-88.2-173.1165.200108.4
687R37.2Very low40.4Very low224 Ų224160.2 Ų160.285%0.84581%0.81SS**  trans-94.4135.7-179.4-96.7-179.1173.6179.9-1.1109.1
688I40.2Very low40.5Very low130 Ų130160.3 Ų160.367%0.66781%0.811SS**  trans62.9119.9130.9-55172.6000114.8
689D39.5Very low40.5Very low124 Ų124160.2 Ų160.266%0.66381%0.808SS**  cis-171159.447.3-127.5-30.4000112.2
690H40.4Very low40.5Very low155 Ų155155.1 Ų155.172%0.71880%0.801SS**  trans88.4103.7147.5-68.6-11.1000123.9
691V42Very low40.6Very low111 Ų111158.9 Ų158.967%0.67380%0.802SS**  90.3105.7115.4176.30000119.7
692R40.8Very low40.5Very low212 Ų212162.1 Ų162.180%0.880%0.795SS**  trans73.1114.2133.1-74.7180-173.7176.2-0.1121.7
693N42.7Very low40.7Very low125 Ų125165.9 Ų165.967%0.66880%0.797SS**  121.5126.2105-89.44000117.8
694M39.4Very low40.9Very low153 Ų153169.8 Ų169.875%0.75480%0.801SS**  trans70.6106.5143.1-70.3177.6174.200117.6
695D48.1Very low41.5Very low141 Ų141167 Ų16775%0.75479%0.794SS**  81.995.478.9-75.6-25000112.1
696Y48.4Very low41.8Very low307 Ų307171.5 Ų171.5100%1.20479%0.791SS**  -169.60113.3-105.2-77.2000110.1

Retrieved 696 of 696 residues in 408.1 ms (Link to these results)

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