A0A087YHK3_POEFO Loading...

Cyclin-dependent kinase 7

AlphaFold DB , UniProt , Accession A0A087YHK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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
1M35Very low42.7Very low211 Ų211102 Ų102100%1.03958%0.583SS**  0-26.90-74.4-171.2-7300114.7
2G32.2Very low44.2Very low67 Ų67107 Ų10769%0.69159%0.585SS**Hα-helixtrans-81.4-16.9178.400000117.1
3Q28.8Very low45.4Very low175 Ų175100.9 Ų100.982%0.81855%0.551SS**Hα-helixtrans-83.1-30.8-178.9-88.8177.3-26.900113.9V7Q3-V7 VanDerWaalsContact O-CG2 3.26Å; Q3-V7 WeakPolarHBondContact O-CG2 3.21Å
4E30.7Very low46.4Very low156 Ų15696.4 Ų96.473%0.72953%0.526SS*.Hα-helixtrans-75-35.9179.7-79173.914500112.8C6 V7 D8E4-C6 VanDerWaalsContact C-N 3.3Å; E4-C6 PolarHBondContact O-N 2.58Å; E4-V7 PolarHBondContact O-N 2.73Å; E4-D8 PolarHBondContact O-N 3.34Å
5V41.3Very low47.3Very low103 Ų10393.5 Ų93.562%0.62452%0.52SS*.Hα-helixtrans-64.2-35.8178.1-176.80000111.8V7 D8 E9V5-V7 VanDerWaalsContact C-N 3.33Å; V5-V7 PolarHBondContact O-N 3.15Å; V5-D8 PolarHBondContact O-N 2.68Å; V5-E9 PolarHBondContact O-N 3.26Å
6C42.5Very low48.2Very low79 Ų7994 Ų9453%0.53452%0.521SS..Hα-helixtrans-76.3-19.8179.7-158.90000112.9E4E4-C6 VanDerWaalsContact C-N 3.3Å; E4-C6 PolarHBondContact O-N 2.58Å
7V44Very low49.1Very low71 Ų7188.8 Ų88.843%0.4349%0.492SS..Hα-helixtrans-75.3-40.2173.6179.30000110.3Q3 E4 V5 A11 R74Q3-V7 VanDerWaalsContact O-CG2 3.26Å; Q3-V7 WeakPolarHBondContact O-CG2 3.21Å; E4-V7 PolarHBondContact O-N 2.73Å; V5-V7 VanDerWaalsContact C-N 3.33Å; V5-V7 PolarHBondContact O-N 3.15Å; V7-A11 VanDerWaalsContact O-CB 3.25Å; V7-A11 WeakPolarHBondContact O-CB 3.41Å; V7-A11 PolarHBondContact O-N 3.26Å; V7-R74 VanDerWaalsContact CG2-NH2 3.34Å
8D53.4Low49.6Very low80 Ų8088.2 Ų88.243%0.42849%0.486SS..Hα-helixtrans-69.4-38.9-178.9-165.216.4000112E4 V5 A11 R12E4-D8 PolarHBondContact O-N 3.34Å; V5-D8 PolarHBondContact O-N 2.68Å; D8-A11 PolarHBondContact O-N 3.46Å; D8-R12 WeakPolarHBondContact O-CB 2.98Å; D8-R12 WeakPolarHBondContact O-CG 3.44Å; D8-R12 PolarHBondContact O-N 3.27Å; D8-R12 IonicContact OD1-CZ 3.89Å; D8-R12 IonicContact OD1-NE 3.34Å; D8-R12 PolarHBondContact OD1-NE 3.32Å; D8-R12 VanDerWaalsContact OD1-NE 3.15Å; D8-R12 IonicContact OD1-NH2 3.77Å; D8-R12 IonicContact OD2-CZ 3.33Å; D8-R12 IonicContact OD2-NE 3.55Å; D8-R12 PolarHBondContact OD2-NE 3.31Å; D8-R12 IonicContact OD2-NH2 2.73Å; D8-R12 PolarHBondContact OD2-NH2 3.21Å
9E56.4Low50Low103 Ų10387.9 Ų87.948%0.48150%0.496SS..Hα-helixtrans-72.3-41.3-177.5-150.8-174.3176.100113.5V5 A11 R12 L13 K81V5-E9 PolarHBondContact O-N 3.26Å; E9-A11 VanDerWaalsContact C-N 3.34Å; E9-R12 PolarHBondContact O-N 2.87Å; E9-L13 PolarHBondContact O-N 3.03Å; E9-K81 IonicContact OE1-NZ 3.26Å; E9-K81 PolarHBondContact OE1-NZ 2.92Å; E9-K81 IonicContact OE2-NZ 3.89Å; E9-K81 PolarHBondContact OE2-NZ 3.36Å
10A50.9Low50.2Low26 Ų2686.7 Ų86.722%0.21549%0.487CS..Hα-helixtrans-67.3-36.7174.900000111.6L14A10-L14 WeakPolarHBondContact O-CB 2.89Å; A10-L14 PolarHBondContact O-N 3.39Å
11A54Low50.7Low51 Ų5186.5 Ų86.542%0.42149%0.485SS..Hα-helixtrans-67-36.817400000111.9V7 D8 E9 A15V7-A11 VanDerWaalsContact O-CB 3.25Å; V7-A11 WeakPolarHBondContact O-CB 3.41Å; V7-A11 PolarHBondContact O-N 3.26Å; D8-A11 PolarHBondContact O-N 3.46Å; E9-A11 VanDerWaalsContact C-N 3.34Å; A11-A15 WeakPolarHBondContact O-CB 3.49Å; A11-A15 PolarHBondContact O-N 2.69Å
12R60.7Low51.9Low162 Ų16278 Ų7861%0.61145%0.445SS*.Hα-helixtrans-68.6-41.6173.4-75173.3-168-159.34.8112.9D8 E9 A15 L16D8-R12 WeakPolarHBondContact O-CB 2.98Å; D8-R12 WeakPolarHBondContact O-CG 3.44Å; D8-R12 PolarHBondContact O-N 3.27Å; D8-R12 IonicContact OD1-CZ 3.89Å; D8-R12 IonicContact OD1-NE 3.34Å; D8-R12 PolarHBondContact OD1-NE 3.32Å; D8-R12 VanDerWaalsContact OD1-NE 3.15Å; D8-R12 IonicContact OD1-NH2 3.77Å; D8-R12 IonicContact OD2-CZ 3.33Å; D8-R12 IonicContact OD2-NE 3.55Å; D8-R12 PolarHBondContact OD2-NE 3.31Å; D8-R12 IonicContact OD2-NH2 2.73Å; D8-R12 PolarHBondContact OD2-NH2 3.21Å; E9-R12 PolarHBondContact O-N 2.87Å; R12-A15 CarbonylContact O-C 3.59Å; R12-A15 PolarHBondContact O-N 2.94Å; R12-L16 WeakPolarHBondContact O-CB 3.22Å; R12-L16 PolarHBondContact O-N 3.03Å
13L60.9Low53.1Low28 Ų2882.7 Ų82.715%0.14745%0.446CS..Hα-helixtrans-65.4-42.7175.3-176.665.9000111E9 L16 I17 K81E9-L13 PolarHBondContact O-N 3.03Å; L13-L16 WeakPolarHBondContact O-CB 3.48Å; L13-L16 PolarHBondContact O-N 3.44Å; L13-I17 HydrophobicContact CD1-CD1 4.33Å; L13-I17 HydrophobicContact CG-CD1 3.98Å; L13-I17 WeakPolarHBondContact O-CB 3.48Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L13-I17 PolarHBondContact O-N 2.61Å; L13-K81 HydrophobicContact CD2-CB 3.78Å; L13-K81 HydrophobicContact CD2-CD 4.45Å; L13-K81 HydrophobicContact CD2-CG 4.34Å
14L58.7Low54.8Low37 Ų3778.5 Ų78.519%0.19443%0.433CS..Hα-helixtrans-59.9-46.9171.9-179.263.7000110.8A10 L16 I17 M18 I72 L77A10-L14 WeakPolarHBondContact O-CB 2.89Å; A10-L14 PolarHBondContact O-N 3.39Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 3.09Å; L14-I17 PolarHBondContact O-N 3.18Å; L14-M18 HydrophobicContact CD1-CG 3.82Å; L14-M18 HydrophobicContact CD1-SD 3.5Å; L14-M18 WeakPolarHBondContact CD1-SD 3.13Å; L14-M18 HydrophobicContact CD2-SD 4.13Å; L14-M18 HydrophobicContact CG-CG 4.17Å; L14-M18 HydrophobicContact CG-SD 3.57Å; L14-M18 VanDerWaalsContact CG-SD 3.57Å; L14-M18 WeakPolarHBondContact O-CB 3.29Å; L14-M18 WeakPolarHBondContact O-CG 3.49Å; L14-M18 PolarHBondContact O-N 3.37Å; L14-I72 HydrophobicContact CD1-CB 3.64Å; L14-I72 HydrophobicContact CD1-CD1 3.23Å; L14-I72 HydrophobicContact CD1-CG1 3.8Å; L14-I72 HydrophobicContact CD1-CG2 4.12Å; L14-L77 HydrophobicContact CB-CD1 3.78Å; L14-L77 HydrophobicContact CB-CD2 4.06Å; L14-L77 HydrophobicContact CD1-CD1 4.02Å; L14-L77 HydrophobicContact CD1-CD2 3.91Å; L14-L77 HydrophobicContact CD1-CG 4.44Å; L14-L77 HydrophobicContact CD2-CD1 4.19Å; L14-L77 HydrophobicContact CG-CD1 4.21Å
15A59.5Low56.5Low53 Ų5373.9 Ų73.944%0.43841%0.409SS..Hα-helixtrans-61.7-35.9175.700000111.5A11 R12 A19A11-A15 WeakPolarHBondContact O-CB 3.49Å; A11-A15 PolarHBondContact O-N 2.69Å; R12-A15 CarbonylContact O-C 3.59Å; R12-A15 PolarHBondContact O-N 2.94Å; A15-A19 WeakPolarHBondContact O-CA 3.43Å; A15-A19 WeakPolarHBondContact O-CB 3.44Å; A15-A19 PolarHBondContact O-N 3.04Å
16L62.5Low57.6Low102 Ų10271.4 Ų71.453%0.53440%0.399SS..Hα-helixtrans-67-49.7174.9-165.978.5000111.1R12 L13 L14 M18 A19 M20R12-L16 WeakPolarHBondContact O-CB 3.22Å; R12-L16 PolarHBondContact O-N 3.03Å; L13-L16 WeakPolarHBondContact O-CB 3.48Å; L13-L16 PolarHBondContact O-N 3.44Å; L14-L16 VanDerWaalsContact C-N 3.28Å; L14-L16 PolarHBondContact O-N 3.09Å; L16-M18 VanDerWaalsContact C-N 3.28Å; L16-M18 PolarHBondContact O-N 3.17Å; L16-A19 PolarHBondContact O-N 3.15Å; L16-M20 WeakPolarHBondContact O-CB 3.15Å; L16-M20 WeakPolarHBondContact O-CG 3.34Å; L16-M20 PolarHBondContact O-N 3.01Å
17I62.6Low59.3Low5 Ų574.8 Ų74.83%0.02641%0.405CS..Hα-helixtrans-62.5-35.7177.7-66.6167.9000111.3L13 L14 L77 I80L13-I17 HydrophobicContact CD1-CD1 4.33Å; L13-I17 HydrophobicContact CG-CD1 3.98Å; L13-I17 WeakPolarHBondContact O-CB 3.48Å; L13-I17 VanDerWaalsContact O-CG1 3.29Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L13-I17 PolarHBondContact O-N 2.61Å; L14-I17 PolarHBondContact O-N 3.18Å; I17-L77 HydrophobicContact CD1-CD2 4.07Å; I17-I80 HydrophobicContact CD1-CD1 4.48Å; I17-I80 HydrophobicContact CD1-CG2 4.03Å
18M59.3Low61.4Low78 Ų7874.7 Ų74.738%0.38440%0.397SS..Hα-helixtrans-86.9-27.7-179.5-66.8-175.393.900113.9L14 L16 M20 I72L14-M18 HydrophobicContact CD1-CG 3.82Å; L14-M18 HydrophobicContact CD1-SD 3.5Å; L14-M18 WeakPolarHBondContact CD1-SD 3.13Å; L14-M18 HydrophobicContact CD2-SD 4.13Å; L14-M18 HydrophobicContact CG-CG 4.17Å; L14-M18 HydrophobicContact CG-SD 3.57Å; L14-M18 VanDerWaalsContact CG-SD 3.57Å; L14-M18 WeakPolarHBondContact O-CB 3.29Å; L14-M18 WeakPolarHBondContact O-CG 3.49Å; L14-M18 PolarHBondContact O-N 3.37Å; L16-M18 VanDerWaalsContact C-N 3.28Å; L16-M18 PolarHBondContact O-N 3.17Å; M18-M20 VanDerWaalsContact C-N 3.35Å; M18-I72 HydrophobicContact CG-CD1 4.42Å; M18-I72 HydrophobicContact SD-CD1 4.43Å
19A56.4Low63.3Low83 Ų8371.7 Ų71.769%0.68638%0.379SS*.Hα-helixtrans-80.4-19.8174.900000111.9A15 L16 D21A15-A19 WeakPolarHBondContact O-CA 3.43Å; A15-A19 WeakPolarHBondContact O-CB 3.44Å; A15-A19 PolarHBondContact O-N 3.04Å; L16-A19 PolarHBondContact O-N 3.15Å; A19-D21 PolarHBondContact O-N 3.38Å; A19-D21 VanDerWaalsContact O-N 3.15Å
20M55.2Low65Low63 Ų6371.3 Ų71.331%0.3138%0.378SS..SBendtrans-66.3108.4168.2-78.3172.8154.900109.5L16 M18 V22 R25L16-M20 WeakPolarHBondContact O-CB 3.15Å; L16-M20 WeakPolarHBondContact O-CG 3.34Å; L16-M20 PolarHBondContact O-N 3.01Å; M18-M20 VanDerWaalsContact C-N 3.35Å; M20-V22 PolarHBondContact O-N 3.46Å; M20-R25 VanDerWaalsContact SD-CZ 3.59Å; M20-R25 PolarHBondContact SD-NH1 3.39Å
21D59.3Low67Low84 Ų8475.6 Ų75.645%0.44939%0.392SS..  trans-53.9107.3-171.6170.833.9000112.5A19 K23 T24 R25A19-D21 PolarHBondContact O-N 3.38Å; A19-D21 VanDerWaalsContact O-N 3.15Å; D21-K23 PolarHBondContact O-N 3.47Å; D21-K23 VanDerWaalsContact O-N 3.17Å; D21-K23 WeakPolarHBondContact OD1-CB 3.2Å; D21-K23 PolarHBondContact OD1-N 2.92Å; D21-T24 WeakPolarHBondContact CB-OG1 3.19Å; D21-T24 PolarHBondContact O-N 3.49Å; D21-T24 VanDerWaalsContact O-N 3.09Å; D21-T24 PolarHBondContact O-OG1 3.35Å; D21-T24 WeakPolarHBondContact OD2-CB 3.16Å; D21-T24 WeakPolarHBondContact OD2-CG2 3.26Å; D21-T24 PolarHBondContact OD2-N 3.32Å; D21-T24 PolarHBondContact OD2-OG1 2.92Å; D21-R25 PolarHBondContact O-N 2.9Å
22V59.9Low68.9Low33 Ų3376.9 Ų76.920%0.239%0.391CS..Hα-helixtrans-59.8-28.5-178.4177.10000111.1M20 A26 G99 H100M20-V22 PolarHBondContact O-N 3.46Å; V22-A26 WeakPolarHBondContact O-CB 3.25Å; V22-A26 PolarHBondContact O-N 2.78Å; V22-G99 VanDerWaalsContact CG2-C 3.45Å; V22-G99 WeakPolarHBondContact CG2-O 3.45Å; V22-H100 HydrophobicContact CB-CB 4.3Å; V22-H100 HydrophobicContact CG1-CB 4.07Å; V22-H100 HydrophobicContact CG2-CB 3.92Å
23K58.1Low70.5Confident164 Ų16473.5 Ų73.571%0.71339%0.385SS*.Hα-helixtrans-73.4-35.8177.2-73.4-176.5178177.80112.5D21 K27D21-K23 PolarHBondContact O-N 3.47Å; D21-K23 VanDerWaalsContact O-N 3.17Å; D21-K23 WeakPolarHBondContact OD1-CB 3.2Å; D21-K23 PolarHBondContact OD1-N 2.92Å; K23-K27 WeakPolarHBondContact O-CB 3.3Å; K23-K27 WeakPolarHBondContact O-CD 3.13Å; K23-K27 WeakPolarHBondContact O-CG 3.35Å; K23-K27 PolarHBondContact O-N 3.37Å
24T63.9Low72Confident87 Ų8776.9 Ų76.953%0.53440%0.399SS..Hα-helixtrans-77.6-40.2176.429.20000112D21 K27 R28D21-T24 WeakPolarHBondContact CB-OG1 3.19Å; D21-T24 PolarHBondContact O-N 3.49Å; D21-T24 VanDerWaalsContact O-N 3.09Å; D21-T24 PolarHBondContact O-OG1 3.35Å; D21-T24 WeakPolarHBondContact OD2-CB 3.16Å; D21-T24 WeakPolarHBondContact OD2-CG2 3.26Å; D21-T24 PolarHBondContact OD2-N 3.32Å; D21-T24 PolarHBondContact OD2-OG1 2.92Å; T24-K27 WeakPolarHBondContact O-CB 3.45Å; T24-K27 PolarHBondContact O-N 2.78Å; T24-R28 PolarHBondContact O-N 3.19Å
25R67.6Low73.2Confident60 Ų6078.9 Ų78.923%0.22641%0.409CS..Hα-helixtrans-76.5-36.3178.1-75.1-170.8169.8-157.1-14.7114.3M20 D21 K27 R28 Y29 D96 A97 F98M20-R25 VanDerWaalsContact SD-CZ 3.59Å; M20-R25 PolarHBondContact SD-NH1 3.39Å; D21-R25 PolarHBondContact O-N 2.9Å; R25-K27 PolarHBondContact O-N 3.2Å; R25-R28 WeakPolarHBondContact O-CB 3.27Å; R25-R28 PolarHBondContact O-N 3.25Å; R25-Y29 WeakPolarHBondContact O-CD2 3.36Å; R25-D96 IonicContact CZ-OD1 3.56Å; R25-D96 IonicContact CZ-OD2 3.63Å; R25-D96 IonicContact NE-OD2 2.58Å; R25-D96 VanDerWaalsContact NH1-CG 3.31Å; R25-D96 IonicContact NH1-OD1 3.26Å; R25-D96 PolarHBondContact NH1-OD1 2.77Å; R25-D96 IonicContact NH1-OD2 3.75Å; R25-D96 PolarHBondContact NH1-OD2 2.7Å; R25-D96 IonicContact NH2-OD1 3.4Å; R25-A97 PolarHBondContact NH1-O 3.3Å; R25-F98 HydrophobicContact CB-CB 4.33Å; R25-F98 HydrophobicContact CB-CG 4.37Å
26A64.5Low74.2Confident51 Ų5177.5 Ų77.542%0.42140%0.4SS..Hα-helixtrans-64.3-26.7171.400000111.9V22 R28V22-A26 WeakPolarHBondContact O-CB 3.25Å; V22-A26 PolarHBondContact O-N 2.78Å; A26-R28 VanDerWaalsContact C-N 3.31Å
27K77.9Confident74.8Confident149 Ų14978.7 Ų78.765%0.64840%0.403SS*.THydrogen-bonded Turntrans-73.3-18.5169.9-77.4175.3-174.9-176.50113.1K23 T24 R25 K49K23-K27 WeakPolarHBondContact O-CB 3.3Å; K23-K27 WeakPolarHBondContact O-CD 3.13Å; K23-K27 WeakPolarHBondContact O-CG 3.35Å; K23-K27 PolarHBondContact O-N 3.37Å; T24-K27 WeakPolarHBondContact O-CB 3.45Å; T24-K27 PolarHBondContact O-N 2.78Å; R25-K27 PolarHBondContact O-N 3.2Å; K27-K49 WeakPolarHBondContact O-CE 3.39Å; K27-K49 PolarHBondContact O-NZ 3.11Å
28R88.4Confident75.1Confident69 Ų6980.4 Ų80.426%0.2642%0.422SS..THydrogen-bonded Turntrans-70.5-41177.1177176.4178.1177.70.3111.7T24 R25 A26 D48 K49 V50T24-R28 PolarHBondContact O-N 3.19Å; R25-R28 WeakPolarHBondContact O-CB 3.27Å; R25-R28 PolarHBondContact O-N 3.25Å; A26-R28 VanDerWaalsContact C-N 3.31Å; R28-D48 VanDerWaalsContact CG-OD1 3.25Å; R28-D48 WeakPolarHBondContact CG-OD1 3.33Å; R28-D48 IonicContact CZ-OD1 3.12Å; R28-D48 IonicContact CZ-OD2 3.15Å; R28-D48 IonicContact NE-OD1 2.69Å; R28-D48 PolarHBondContact NE-OD1 3.34Å; R28-D48 IonicContact NE-OD2 2.75Å; R28-D48 PolarHBondContact NE-OD2 2.81Å; R28-D48 IonicContact NH2-OD1 2.68Å; R28-D48 IonicContact NH2-OD2 3.66Å; R28-D48 PolarHBondContact NH2-OD2 3.17Å; R28-K49 WeakPolarHBondContact O-CB 3.4Å; R28-K49 WeakPolarHBondContact O-CE 3.16Å; R28-K49 WeakPolarHBondContact O-CG 3.3Å; R28-K49 PolarHBondContact O-N 2.96Å; R28-V50 HydrophobicContact CG-CG2 3.95Å
29Y91.9Very high75.3Confident17 Ų1781.8 Ų81.87%0.06743%0.427CS..EExtended strand (participates in β ladder)trans-97.7115.4-174.5-59.2-75.1000112.2R25 R47 D48 V55 I57 D96 F98 V107R25-Y29 WeakPolarHBondContact O-CD2 3.36Å; Y29-R47 CarbonylContact C-O 3.55Å; Y29-R47 WeakPolarHBondContact CA-O 3.45Å; Y29-D48 HydrophobicContact CD1-CB 3.96Å; Y29-D48 HydrophobicContact CE1-CB 3.72Å; Y29-D48 WeakPolarHBondContact CE1-OD2 3.45Å; Y29-V55 HydrophobicContact CD1-CG2 3.86Å; Y29-V55 HydrophobicContact CE1-CG2 4.12Å; Y29-I57 HydrophobicContact CD1-CD1 4.4Å; Y29-I57 HydrophobicContact CG-CD1 3.96Å; Y29-D96 VanDerWaalsContact OH-CB 3.29Å; Y29-D96 WeakPolarHBondContact OH-CB 3.49Å; Y29-D96 PolarHBondContact OH-OD2 3.25Å; Y29-F98 HydrophobicContact CD2-CD1 4.36Å; Y29-F98 AromaticContact CD2-CE1 3.51Å; Y29-F98 HydrophobicContact CD2-CE1 3.51Å; Y29-F98 AromaticContact CD2-CZ 3.97Å; Y29-F98 HydrophobicContact CD2-CZ 3.97Å; Y29-F98 HydrophobicContact CE2-CD1 4.1Å; Y29-F98 AromaticContact CE2-CE1 3.6Å; Y29-F98 HydrophobicContact CE2-CE1 3.6Å; Y29-F98 HydrophobicContact CE2-CZ 4.49Å; Y29-V107 HydrophobicContact CD1-CG1 4.45Å; Y29-V107 HydrophobicContact CD2-CG2 4.45Å; Y29-V107 HydrophobicContact CE1-CG1 3.81Å; Y29-V107 HydrophobicContact CE1-CG2 4.35Å; Y29-V107 HydrophobicContact CE2-CG2 3.96Å
30E92.9Very high75.8Confident95 Ų9584.6 Ų84.644%0.44442%0.424SS..EExtended strand (participates in β ladder)trans-86.8115.6172.4-180-178.9-16800109.8L32 A46 R47 K49E30-L32 HydrophobicContact CG-CD2 4.36Å; E30-L32 PolarHBondContact O-N 2.74Å; E30-A46 CarbonylContact O-C 2.96Å; E30-A46 WeakPolarHBondContact O-CA 3.29Å; E30-A46 VanDerWaalsContact O-CB 3.26Å; E30-A46 WeakPolarHBondContact O-CB 2.77Å; E30-R47 HydrophobicContact CB-CB 4.45Å; E30-R47 PolarHBondContact N-O 3.24Å; E30-R47 PolarHBondContact O-N 2.94Å; E30-K49 HydrophobicContact CB-CD 4.23Å; E30-K49 HydrophobicContact CB-CG 4.25Å
31K92.8Very high76.8Confident117 Ų11781.9 Ų81.951%0.50941%0.412SS..EExtended strand (participates in β ladder)trans-71.8126.1177.6178.3176.2155.9-179.50110.1Y44K31-Y44 HydrophobicContact CD-CD1 3.8Å; K31-Y44 HydrophobicContact CD-CE1 4.25Å; K31-Y44 HydrophobicContact CD-CG 3.95Å; K31-Y44 HydrophobicContact CG-CD1 4.4Å; K31-Y44 HydrophobicContact CG-CG 4.43Å; K31-Y44 VanDerWaalsContact NZ-CD1 3.27Å
32L93.8Very high77.9Confident77 Ų7778.6 Ų78.640%0.40340%0.395SS..EExtended strand (participates in β ladder)trans-102.7-51.9-177.9-61.3178.7000112.1E30 K45 R47 I54E30-L32 HydrophobicContact CG-CD2 4.36Å; E30-L32 PolarHBondContact O-N 2.74Å; L32-K45 PolarHBondContact N-O 3.04Å; L32-R47 HydrophobicContact CD1-CB 4.05Å; L32-R47 HydrophobicContact CD2-CB 4.46Å; L32-R47 HydrophobicContact CG-CB 4.33Å; L32-I54 HydrophobicContact CD1-CD1 3.64Å
33D94.1Very high79.2Confident92 Ų9279 Ų7949%0.49240%0.397SS..EExtended strand (participates in β ladder)trans-146.4160.1-172-159.87.4000112.4Y44 K45D33-Y44 CarbonylContact O-C 3.56Å; D33-Y44 WeakPolarHBondContact O-CA 3.25Å; D33-K45 HydrophobicContact CB-CB 3.98Å; D33-K45 PolarHBondContact N-O 3.34Å; D33-K45 VanDerWaalsContact N-O 3.17Å; D33-K45 PolarHBondContact O-N 3.1Å
34F91.7Very high80.9Confident99 Ų9973.3 Ų73.343%0.43437%0.372SS..EExtended strand (participates in β ladder)trans-92122.4169.5171.3-93.7000109.7G36 E37 T42 Y44F34-G36 WeakPolarHBondContact CE2-O 3.34Å; F34-E37 HydrophobicContact CE2-CB 4.1Å; F34-E37 HydrophobicContact CZ-CB 3.78Å; F34-T42 HydrophobicContact CD2-CG2 4.03Å; F34-T42 HydrophobicContact CE2-CG2 3.55Å; F34-Y44 HydrophobicContact CB-CD1 4.24Å; F34-Y44 HydrophobicContact CB-CE1 4.3Å; F34-Y44 HydrophobicContact CD2-CD1 4.08Å; F34-Y44 AromaticContact CD2-CE1 3.6Å; F34-Y44 HydrophobicContact CD2-CE1 3.6Å; F34-Y44 HydrophobicContact CG-CE1 4.44Å
35L85.3Confident82.3Confident78 Ų7872 Ų7241%0.40836%0.359SS..EExtended strand (participates in β ladder)trans-95.7-36.2-179-64.4177.2000111.9V43 K45 F110L35-V43 HydrophobicContact CB-CB 4.4Å; L35-V43 HydrophobicContact CB-CG1 4.28Å; L35-V43 HydrophobicContact CD1-CG1 4.17Å; L35-V43 PolarHBondContact N-O 3.32Å; L35-K45 HydrophobicContact CD1-CB 3.94Å; L35-K45 HydrophobicContact CD2-CB 4.01Å; L35-K45 HydrophobicContact CG-CB 3.93Å; L35-F110 HydrophobicContact CD1-CD2 4.13Å; L35-F110 HydrophobicContact CD1-CE2 3.82Å; L35-F110 HydrophobicContact CD2-CE2 4.15Å
36G79.3Confident83.7Confident24 Ų2469.2 Ų69.225%0.24735%0.348CS..EExtended strand (participates in β ladder)trans172.3171.5179.200000114.1F34 V43F34-G36 WeakPolarHBondContact CE2-O 3.34Å; G36-V43 PolarHBondContact N-O 2.9Å; G36-V43 PolarHBondContact O-N 2.98Å
37E76.9Confident85.2Confident127 Ų12770.7 Ų70.759%0.59334%0.343SS*.EExtended strand (participates in β ladder)trans-134.4119.2177.9-177.5172.9176.200109.6F34 T42 K61F34-E37 HydrophobicContact CE2-CB 4.1Å; F34-E37 HydrophobicContact CZ-CB 3.78Å; E37-T42 HydrophobicContact CB-CG2 4.41Å; E37-K61 WeakPolarHBondContact OE1-CE 3.47Å; E37-K61 IonicContact OE1-NZ 2.81Å; E37-K61 PolarHBondContact OE1-NZ 2.81Å
38G67Low86Confident41 Ų4163.9 Ų63.942%0.42331%0.313SS..  trans-100.6179.9172.700000111.8F40 A41 K61G38-F40 VanDerWaalsContact C-N 3.28Å; G38-F40 PolarHBondContact O-N 3.25Å; G38-A41 PolarHBondContact N-O 2.69Å; G38-K61 WeakPolarHBondContact O-CE 3.38Å; G38-K61 PolarHBondContact O-NZ 2.81Å
39Q63.4Low86.2Confident107 Ų10766.4 Ų66.450%0.533%0.326SS..SBendtrans-58.2-40.7178.8-174.4177.3800112.3
40F67.7Low86.2Confident143 Ų14370.9 Ų70.963%0.62736%0.355SS*.SBendtrans-108.5-10-171.9-55.2-70.7000114.4G38 K61G38-F40 VanDerWaalsContact C-N 3.28Å; G38-F40 PolarHBondContact O-N 3.25Å; F40-K61 PolarHBondContact O-N 2.94Å
41A75.8Confident86.2Confident6 Ų669.9 Ų69.95%0.0536%0.355CS..EExtended strand (participates in β ladder)trans-154.8158.7-174.500000113.2G38 K58 K59 I60G38-A41 PolarHBondContact N-O 2.69Å; A41-K58 HydrophobicContact CB-CD 4.2Å; A41-K58 HydrophobicContact CB-CG 3.59Å; A41-K59 CarbonylContact C-O 3.6Å; A41-K59 WeakPolarHBondContact CA-O 3.26Å; A41-K59 WeakPolarHBondContact CB-O 3.45Å; A41-I60 HydrophobicContact CB-CD1 4.16Å
42T82.4Confident86.2Confident15 Ų1569.2 Ų69.29%0.09236%0.358CS..EExtended strand (participates in β ladder)trans-117132.6169.8-520000109.5F34 E37 Y44 K59F34-T42 HydrophobicContact CD2-CG2 4.03Å; F34-T42 HydrophobicContact CE2-CG2 3.55Å; E37-T42 HydrophobicContact CB-CG2 4.41Å; T42-Y44 HydrophobicContact CG2-CD2 4.46Å; T42-Y44 HydrophobicContact CG2-CE1 4.07Å; T42-Y44 HydrophobicContact CG2-CE2 3.66Å; T42-Y44 VanDerWaalsContact CG2-CZ 3.44Å; T42-Y44 WeakPolarHBondContact CG2-OH 3.33Å; T42-K59 PolarHBondContact N-O 3.11Å; T42-K59 PolarHBondContact O-N 3.08Å
43V88.4Confident86.2Confident42 Ų4268.7 Ų68.726%0.25536%0.358SS..EExtended strand (participates in β ladder)trans-110.6131.5-174.6-169.10000110.4L35 G36 A56 I57 K58L35-V43 HydrophobicContact CB-CB 4.4Å; L35-V43 HydrophobicContact CB-CG1 4.28Å; L35-V43 HydrophobicContact CD1-CG1 4.17Å; L35-V43 PolarHBondContact N-O 3.32Å; G36-V43 PolarHBondContact N-O 2.9Å; G36-V43 PolarHBondContact O-N 2.98Å; V43-A56 HydrophobicContact CG1-CB 4.42Å; V43-I57 WeakPolarHBondContact CA-O 2.96Å; V43-K58 HydrophobicContact CG2-CB 4.44Å; V43-K58 HydrophobicContact CG2-CG 4.2Å
44Y92.6Very high86.3Confident43 Ų4367.1 Ų67.117%0.16935%0.349CS..EExtended strand (participates in β ladder)trans-124.7142179-60.2-74.8000111.2K31 D33 F34 T42 A56 I57 K59K31-Y44 HydrophobicContact CD-CD1 3.8Å; K31-Y44 HydrophobicContact CD-CE1 4.25Å; K31-Y44 HydrophobicContact CD-CG 3.95Å; K31-Y44 HydrophobicContact CG-CD1 4.4Å; K31-Y44 HydrophobicContact CG-CG 4.43Å; K31-Y44 VanDerWaalsContact NZ-CD1 3.27Å; D33-Y44 CarbonylContact O-C 3.56Å; D33-Y44 WeakPolarHBondContact O-CA 3.25Å; F34-Y44 HydrophobicContact CB-CD1 4.24Å; F34-Y44 HydrophobicContact CB-CE1 4.3Å; F34-Y44 HydrophobicContact CD2-CD1 4.08Å; F34-Y44 AromaticContact CD2-CE1 3.6Å; F34-Y44 HydrophobicContact CD2-CE1 3.6Å; F34-Y44 HydrophobicContact CG-CE1 4.44Å; T42-Y44 HydrophobicContact CG2-CD2 4.46Å; T42-Y44 HydrophobicContact CG2-CE1 4.07Å; T42-Y44 HydrophobicContact CG2-CE2 3.66Å; T42-Y44 VanDerWaalsContact CG2-CZ 3.44Å; T42-Y44 WeakPolarHBondContact CG2-OH 3.33Å; Y44-A56 CarbonylContact O-C 3.48Å; Y44-A56 WeakPolarHBondContact O-CA 3.13Å; Y44-I57 PolarHBondContact N-O 2.92Å; Y44-I57 PolarHBondContact O-N 3.01Å; Y44-K59 HydrophobicContact CD2-CD 4.15Å; Y44-K59 HydrophobicContact CD2-CG 4.13Å; Y44-K59 HydrophobicContact CE2-CD 3.84Å; Y44-K59 HydrophobicContact CE2-CG 4.11Å
45K94.8Very high86.5Confident61 Ų6162.5 Ų62.527%0.26533%0.328SS..EExtended strand (participates in β ladder)trans-76.9134.7163.9-167.5175.8-174174.50108.2L32 D33 L35 I54 F110L32-K45 PolarHBondContact N-O 3.04Å; D33-K45 HydrophobicContact CB-CB 3.98Å; D33-K45 PolarHBondContact N-O 3.34Å; D33-K45 VanDerWaalsContact N-O 3.17Å; D33-K45 PolarHBondContact O-N 3.1Å; L35-K45 HydrophobicContact CD1-CB 3.94Å; L35-K45 HydrophobicContact CD2-CB 4.01Å; L35-K45 HydrophobicContact CG-CB 3.93Å; K45-I54 HydrophobicContact CD-CG2 4.25Å; K45-I54 HydrophobicContact CG-CG2 3.85Å; K45-F110 HydrophobicContact CD-CD2 4.4Å; K45-F110 HydrophobicContact CD-CE2 3.92Å; K45-F110 HydrophobicContact CD-CZ 4.25Å; K45-F110 HydrophobicContact CG-CD2 4.06Å; K45-F110 HydrophobicContact CG-CE2 4Å
46A95.6Very high86.9Confident0 Ų059.4 Ų59.40%031%0.314CS..EExtended strand (participates in β ladder)trans-141.1163.117700000111.1E30 I54 V55 I57E30-A46 CarbonylContact O-C 2.96Å; E30-A46 WeakPolarHBondContact O-CA 3.29Å; E30-A46 VanDerWaalsContact O-CB 3.26Å; E30-A46 WeakPolarHBondContact O-CB 2.77Å; A46-I54 WeakPolarHBondContact O-CA 3.25Å; A46-V55 HydrophobicContact CB-CG2 4Å; A46-V55 PolarHBondContact N-O 3.39Å; A46-V55 PolarHBondContact O-N 2.67Å; A46-I57 HydrophobicContact CB-CD1 3.47Å; A46-I57 VanDerWaalsContact CB-CD1 3.47Å; A46-I57 HydrophobicContact CB-CG1 3.89Å
47R96Very high87.5Confident83 Ų8358.7 Ų58.731%0.31331%0.305SS..EExtended strand (participates in β ladder)trans-106.5127.8168.6-178.4-176.7-69.6-110.11108.6Y29 E30 L32 K49 D52 T53 I54Y29-R47 CarbonylContact C-O 3.55Å; Y29-R47 WeakPolarHBondContact CA-O 3.45Å; E30-R47 HydrophobicContact CB-CB 4.45Å; E30-R47 PolarHBondContact N-O 3.24Å; E30-R47 PolarHBondContact O-N 2.94Å; L32-R47 HydrophobicContact CD1-CB 4.05Å; L32-R47 HydrophobicContact CD2-CB 4.46Å; L32-R47 HydrophobicContact CG-CB 4.33Å; R47-K49 PolarHBondContact O-N 3.45Å; R47-D52 WeakPolarHBondContact CD-OD1 3.47Å; R47-D52 IonicContact CZ-OD1 2.82Å; R47-D52 IonicContact NE-OD1 3.32Å; R47-D52 VanDerWaalsContact NH1-CG 3.33Å; R47-D52 IonicContact NH1-OD1 3.66Å; R47-D52 PolarHBondContact NH1-OD1 3.31Å; R47-D52 IonicContact NH1-OD2 3.66Å; R47-D52 PolarHBondContact NH1-OD2 2.9Å; R47-T53 WeakPolarHBondContact CA-O 3.01Å; R47-I54 HydrophobicContact CB-CD1 4.38Å
48D94.8Very high88Confident6 Ų654.6 Ų54.63%0.03229%0.285CS..EExtended strand (participates in β ladder)trans-77.4113166.3-175.4-19000108.9R28 Y29 V50 T51 D52 T53 V55R28-D48 VanDerWaalsContact CG-OD1 3.25Å; R28-D48 WeakPolarHBondContact CG-OD1 3.33Å; R28-D48 IonicContact CZ-OD1 3.12Å; R28-D48 IonicContact CZ-OD2 3.15Å; R28-D48 IonicContact NE-OD1 2.69Å; R28-D48 PolarHBondContact NE-OD1 3.34Å; R28-D48 IonicContact NE-OD2 2.75Å; R28-D48 PolarHBondContact NE-OD2 2.81Å; R28-D48 IonicContact NH2-OD1 2.68Å; R28-D48 IonicContact NH2-OD2 3.66Å; R28-D48 PolarHBondContact NH2-OD2 3.17Å; Y29-D48 HydrophobicContact CD1-CB 3.96Å; Y29-D48 HydrophobicContact CE1-CB 3.72Å; Y29-D48 WeakPolarHBondContact CE1-OD2 3.45Å; D48-V50 PolarHBondContact O-N 2.96Å; D48-V50 WeakPolarHBondContact OD1-CB 3.47Å; D48-V50 PolarHBondContact OD1-N 3.42Å; D48-T51 VanDerWaalsContact CB-OG1 3.3Å; D48-T51 WeakPolarHBondContact CB-OG1 3.49Å; D48-T51 PolarHBondContact OD2-OG1 2.95Å; D48-D52 WeakPolarHBondContact O-CA 3.21Å; D48-D52 PolarHBondContact O-N 3.35Å; D48-T53 PolarHBondContact N-O 3.26Å; D48-V55 HydrophobicContact CB-CG1 4.4Å
49K93.7Very high88.8Confident121 Ų12157 Ų5753%0.52628%0.284SS..THydrogen-bonded Turntrans-72.9-10-176.4-66.1-174-66-178.80114.5K27 R28 E30 R47K27-K49 WeakPolarHBondContact O-CE 3.39Å; K27-K49 PolarHBondContact O-NZ 3.11Å; R28-K49 WeakPolarHBondContact O-CB 3.4Å; R28-K49 WeakPolarHBondContact O-CE 3.16Å; R28-K49 WeakPolarHBondContact O-CG 3.3Å; R28-K49 PolarHBondContact O-N 2.96Å; E30-K49 HydrophobicContact CB-CD 4.23Å; E30-K49 HydrophobicContact CB-CG 4.25Å; R47-K49 PolarHBondContact O-N 3.45Å
50V91.7Very high89.5Confident112 Ų11254.5 Ų54.568%0.67927%0.273SS*.THydrogen-bonded Turntrans-86.6-44177.2173.60000110.6R28 D48R28-V50 HydrophobicContact CG-CG2 3.95Å; D48-V50 PolarHBondContact O-N 2.96Å; D48-V50 WeakPolarHBondContact OD1-CB 3.47Å; D48-V50 PolarHBondContact OD1-N 3.42Å
51T92.7Very high89.5Confident73 Ų7351.2 Ų51.245%0.44826%0.259SS..THydrogen-bonded Turntrans-97.6-9.4-177.9530000113.3D48 T53D48-T51 VanDerWaalsContact CB-OG1 3.3Å; D48-T51 WeakPolarHBondContact CB-OG1 3.49Å; D48-T51 PolarHBondContact OD2-OG1 2.95Å; T51-T53 PolarHBondContact O-N 3.49Å; T51-T53 PolarHBondContact OG1-OG1 3.47Å
52D93.3Very high88.8Confident104 Ų10453.8 Ų53.856%0.55627%0.274SS*.THydrogen-bonded Turntrans55.227.1-171.3-156.341.3000114.2R47 D48R47-D52 WeakPolarHBondContact CD-OD1 3.47Å; R47-D52 IonicContact CZ-OD1 2.82Å; R47-D52 IonicContact NE-OD1 3.32Å; R47-D52 VanDerWaalsContact NH1-CG 3.33Å; R47-D52 IonicContact NH1-OD1 3.66Å; R47-D52 PolarHBondContact NH1-OD1 3.31Å; R47-D52 IonicContact NH1-OD2 3.66Å; R47-D52 PolarHBondContact NH1-OD2 2.9Å; D48-D52 WeakPolarHBondContact O-CA 3.21Å; D48-D52 PolarHBondContact O-N 3.35Å
53T93.8Very high87.4Confident66 Ų6654.8 Ų54.841%0.40529%0.287SS..EExtended strand (participates in β ladder)trans-100.9149.7-17856.20000111.7R47 D48 T51R47-T53 WeakPolarHBondContact CA-O 3.01Å; D48-T53 PolarHBondContact N-O 3.26Å; T51-T53 PolarHBondContact O-N 3.49Å; T51-T53 PolarHBondContact OG1-OG1 3.47Å
54I95.7Very high85.1Confident58 Ų5860.8 Ų60.830%0.29731%0.311SS..EExtended strand (participates in β ladder)trans-81.3132.3173.8-57.2-59.7000109.2L32 K45 A46 R47 F110L32-I54 HydrophobicContact CD1-CD1 3.64Å; K45-I54 HydrophobicContact CD-CG2 4.25Å; K45-I54 HydrophobicContact CG-CG2 3.85Å; A46-I54 WeakPolarHBondContact O-CA 3.25Å; R47-I54 HydrophobicContact CB-CD1 4.38Å; I54-F110 HydrophobicContact CB-CB 4.37Å; I54-F110 HydrophobicContact CG2-CB 3.71Å; I54-F110 HydrophobicContact CG2-CD1 3.98Å; I54-F110 HydrophobicContact CG2-CD2 4.12Å; I54-F110 HydrophobicContact CG2-CG 3.64Å
55V95.4Very high82.8Confident2 Ų269.6 Ų69.61%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-132.8161.6-178-61.20000111.1Y29 A46 D48 I57 L95 V107 F108Y29-V55 HydrophobicContact CD1-CG2 3.86Å; Y29-V55 HydrophobicContact CE1-CG2 4.12Å; A46-V55 HydrophobicContact CB-CG2 4Å; A46-V55 PolarHBondContact N-O 3.39Å; A46-V55 PolarHBondContact O-N 2.67Å; D48-V55 HydrophobicContact CB-CG1 4.4Å; V55-I57 HydrophobicContact CG2-CG1 4.41Å; V55-L95 HydrophobicContact CG1-CD1 3.88Å; V55-V107 HydrophobicContact CB-CG1 3.79Å; V55-V107 HydrophobicContact CG1-CG1 4.16Å; V55-V107 HydrophobicContact CG2-CG1 3.82Å; V55-F108 WeakPolarHBondContact CA-O 3.5Å; V55-F108 WeakPolarHBondContact CB-O 3.39Å
56A94.3Very high80.4Confident13 Ų1372.2 Ų72.211%0.10737%0.366CS..EExtended strand (participates in β ladder)trans-106.4127.9170.700000110.4V43 Y44 V107 F108V43-A56 HydrophobicContact CG1-CB 4.42Å; Y44-A56 CarbonylContact O-C 3.48Å; Y44-A56 WeakPolarHBondContact O-CA 3.13Å; A56-V107 WeakPolarHBondContact O-CA 3.21Å; A56-F108 PolarHBondContact N-O 2.87Å; A56-F108 PolarHBondContact O-N 3.08Å
57I91.6Very high78Confident10 Ų1077.4 Ų77.45%0.05139%0.39CS..EExtended strand (participates in β ladder)trans-108109177.4-56.1-177.7000109.3Y29 V43 Y44 A46 V55 K59 L106 V107Y29-I57 HydrophobicContact CD1-CD1 4.4Å; Y29-I57 HydrophobicContact CG-CD1 3.96Å; V43-I57 WeakPolarHBondContact CA-O 2.96Å; Y44-I57 PolarHBondContact N-O 2.92Å; Y44-I57 PolarHBondContact O-N 3.01Å; A46-I57 HydrophobicContact CB-CD1 3.47Å; A46-I57 VanDerWaalsContact CB-CD1 3.47Å; A46-I57 HydrophobicContact CB-CG1 3.89Å; V55-I57 HydrophobicContact CG2-CG1 4.41Å; I57-K59 HydrophobicContact CG2-CG 4.09Å; I57-L106 CarbonylContact C-O 3.48Å; I57-L106 WeakPolarHBondContact CA-O 3.32Å; I57-V107 HydrophobicContact CG1-CG2 4.34Å
58K87.4Confident75.5Confident41 Ų4175.7 Ų75.718%0.17839%0.393CS..EExtended strand (participates in β ladder)trans-90.2105.9172.7-171.4171.6-174.5172.20108.8A41 V43 I60 L106 F108 D172A41-K58 HydrophobicContact CB-CD 4.2Å; A41-K58 HydrophobicContact CB-CG 3.59Å; V43-K58 HydrophobicContact CG2-CB 4.44Å; V43-K58 HydrophobicContact CG2-CG 4.2Å; K58-I60 HydrophobicContact CG-CD1 4.29Å; K58-L106 HydrophobicContact CB-CB 4.49Å; K58-L106 PolarHBondContact N-O 3.2Å; K58-L106 PolarHBondContact O-N 3.05Å; K58-F108 HydrophobicContact CB-CD2 4.37Å; K58-F108 HydrophobicContact CB-CE2 3.96Å; K58-F108 HydrophobicContact CD-CE2 4.42Å; K58-D172 IonicContact NZ-OD1 2.61Å; K58-D172 PolarHBondContact NZ-OD1 3.12Å; K58-D172 IonicContact NZ-OD2 3.14Å; K58-D172 PolarHBondContact NZ-OD2 3.39Å; K58-D172 VanDerWaalsContact NZ-OD2 3.08Å
59K84.1Confident73.2Confident92 Ų9284.3 Ų84.340%0.443%0.43SS..EExtended strand (participates in β ladder)trans-89116.9174.4-62.1-161.1-178.8-1770109.8A41 T42 Y44 I57 I104A41-K59 CarbonylContact C-O 3.6Å; A41-K59 WeakPolarHBondContact CA-O 3.26Å; A41-K59 WeakPolarHBondContact CB-O 3.45Å; T42-K59 PolarHBondContact N-O 3.11Å; T42-K59 PolarHBondContact O-N 3.08Å; Y44-K59 HydrophobicContact CD2-CD 4.15Å; Y44-K59 HydrophobicContact CD2-CG 4.13Å; Y44-K59 HydrophobicContact CE2-CD 3.84Å; Y44-K59 HydrophobicContact CE2-CG 4.11Å; I57-K59 HydrophobicContact CG2-CG 4.09Å; K59-I104 WeakPolarHBondContact CA-O 3.24Å
60I77.5Confident71Confident54 Ų5486 Ų8628%0.27745%0.445SS..EExtended strand (participates in β ladder)trans-73.4130.2179.4-51.7-57000109.4A41 K58 I104 L106A41-I60 HydrophobicContact CB-CD1 4.16Å; K58-I60 HydrophobicContact CG-CD1 4.29Å; I60-I104 HydrophobicContact CB-CB 4.46Å; I60-I104 HydrophobicContact CG1-CB 4.26Å; I60-I104 PolarHBondContact N-O 2.63Å; I60-L106 HydrophobicContact CD1-CD1 4.38Å
61K67.8Low69.3Low74 Ų7482.5 Ų82.532%0.32243%0.432SS..PPolyproline II helixtrans-76.1133174.7-67.4174.2173.91800108.9E37 G38 F40 G63E37-K61 WeakPolarHBondContact OE1-CE 3.47Å; E37-K61 IonicContact OE1-NZ 2.81Å; E37-K61 PolarHBondContact OE1-NZ 2.81Å; G38-K61 WeakPolarHBondContact O-CE 3.38Å; G38-K61 PolarHBondContact O-NZ 2.81Å; F40-K61 PolarHBondContact O-N 2.94Å; K61-G63 PolarHBondContact O-N 3.06Å
62V62.1Low67.6Low60 Ų6079.6 Ų79.636%0.36441%0.414SS..PPolyproline II helixtrans-72.3125.7176.3-169.90000108.8A68 S102 N103V62-A68 HydrophobicContact CG1-CB 4.34Å; V62-S102 WeakPolarHBondContact CG2-O 3.33Å; V62-N103 WeakPolarHBondContact CG2-OD1 3.39Å
63G52Low66Low35 Ų3577.8 Ų77.836%0.36140%0.404SS..PPolyproline II helixtrans-60.6171.8172.300000113K61K61-G63 PolarHBondContact O-N 3.06Å
64H41.2Very low64.4Low168 Ų16881.7 Ų81.778%0.77841%0.412SS*.PPolyproline II helixtrans-49.2146.5-176.4-121.5-102.5000112T66 E67H64-T66 PolarHBondContact O-N 2.94Å; H64-E67 PolarHBondContact O-N 3.39Å
65R43.3Very low62.6Low229 Ų22981.7 Ų81.786%0.86441%0.414SS*.THydrogen-bonded Turntrans-48.4-16.2-170.9-70.9179.7178.4-172.6-0.8116.7
66T43.6Very low61Low116 Ų11682.7 Ų82.771%0.71242%0.423SS*.THydrogen-bonded Turntrans-74.3-34.9173.237.80000113.3H64H64-T66 PolarHBondContact O-N 2.94Å
67E45.3Very low59.8Low109 Ų10982.4 Ų82.451%0.50942%0.419SS..G310 helixtrans-75.9-25.2174.5-63.4-176.3160.200112.1H64 K69 D70H64-E67 PolarHBondContact O-N 3.39Å; E67-K69 PolarHBondContact O-N 2.78Å; E67-D70 PolarHBondContact O-N 3.44Å
68A45.3Very low58.5Low46 Ų4687.9 Ų87.938%0.3844%0.439SS..G310 helixtrans-69.8-11179.900000114.3V62V62-A68 HydrophobicContact CG1-CB 4.34Å
69K44.8Very low57.6Low187 Ų18788.2 Ų88.281%0.81344%0.442SS*.G310 helixtrans-75.2-23.9175.8-77.5-171.1175.3-176.40113.1E67E67-K69 PolarHBondContact O-N 2.78Å
70D47.8Very low57.1Low156 Ų15684 Ų8483%0.83442%0.423SS*.SBendtrans-97.86.1-179-81.3-13.8000114E67E67-D70 PolarHBondContact O-N 3.44Å
71G56.7Low57Low40 Ų4084.4 Ų84.441%0.41242%0.423SS..  trans78.9-142.5179.600000113.3
72I57.5Low57.4Low11 Ų1182.3 Ų82.36%0.05642%0.415CS..SBendtrans-73.2131178.9-71.4176.1000109.4L14 M18 R74 L77 K101 I104L14-I72 HydrophobicContact CD1-CB 3.64Å; L14-I72 HydrophobicContact CD1-CD1 3.23Å; L14-I72 HydrophobicContact CD1-CG1 3.8Å; L14-I72 HydrophobicContact CD1-CG2 4.12Å; M18-I72 HydrophobicContact CG-CD1 4.42Å; M18-I72 HydrophobicContact SD-CD1 4.43Å; I72-R74 PolarHBondContact O-N 3.16Å; I72-L77 HydrophobicContact CG2-CD1 4.02Å; I72-L77 HydrophobicContact CG2-CD2 4.1Å; I72-L77 HydrophobicContact CG2-CG 3.68Å; I72-K101 VanDerWaalsContact CD1-O 3.25Å; I72-K101 WeakPolarHBondContact CD1-O 3.47Å; I72-K101 WeakPolarHBondContact CG1-O 3.45Å; I72-I104 HydrophobicContact CB-CD1 4.14Å; I72-I104 HydrophobicContact CD1-CD1 3.53Å; I72-I104 HydrophobicContact CD1-CG1 3.55Å; I72-I104 HydrophobicContact CG1-CD1 3.69Å; I72-I104 HydrophobicContact CG1-CG1 4.03Å; I72-I104 HydrophobicContact CG2-CD1 3.39Å
73N59.9Low58.2Low67 Ų6780 Ų8036%0.35840%0.401SS..  trans-57121.1177.6-170.7-36.1000110.3T75 A76 L77N73-T75 PolarHBondContact O-N 3.34Å; N73-T75 WeakPolarHBondContact OD1-CB 3.47Å; N73-T75 PolarHBondContact OD1-N 2.84Å; N73-T75 PolarHBondContact OD1-OG1 3.06Å; N73-A76 HydrophobicContact CB-CB 4.36Å; N73-A76 WeakPolarHBondContact O-CB 3.33Å; N73-A76 PolarHBondContact O-N 3.21Å; N73-L77 PolarHBondContact O-N 3.25Å
74R59.4Low59.5Low148 Ų14882 Ų8256%0.55840%0.401SS*.Hα-helixtrans-53.6-28.4179.2-65.2178.771168.12.5113.1V7 I72 R78V7-R74 VanDerWaalsContact CG2-NH2 3.34Å; I72-R74 PolarHBondContact O-N 3.16Å; R74-R78 PolarHBondContact O-N 3.38Å
75T56.8Low61.5Low58 Ų5879.4 Ų79.436%0.35639%0.389SS..Hα-helixtrans-65.2-45174.7-43.60000111.2N73 L77 R78 E79N73-T75 PolarHBondContact O-N 3.34Å; N73-T75 WeakPolarHBondContact OD1-CB 3.47Å; N73-T75 PolarHBondContact OD1-N 2.84Å; N73-T75 PolarHBondContact OD1-OG1 3.06Å; T75-L77 VanDerWaalsContact C-N 3.33Å; T75-L77 PolarHBondContact O-N 2.88Å; T75-R78 WeakPolarHBondContact O-CB 3.43Å; T75-R78 PolarHBondContact O-N 3.36Å; T75-R78 VanDerWaalsContact O-N 3.15Å; T75-E79 WeakPolarHBondContact O-CG 3.33Å; T75-E79 PolarHBondContact O-N 3.43Å
76A63.6Low63.5Low23 Ų2368.8 Ų68.819%0.1935%0.35CS..Hα-helixtrans-64.8-35.8178.800000112.1N73 E79 I80N73-A76 HydrophobicContact CB-CB 4.36Å; N73-A76 WeakPolarHBondContact O-CB 3.33Å; N73-A76 PolarHBondContact O-N 3.21Å; A76-E79 PolarHBondContact O-N 2.82Å; A76-I80 WeakPolarHBondContact O-CD1 3.49Å; A76-I80 VanDerWaalsContact O-CG1 3.23Å; A76-I80 WeakPolarHBondContact O-CG1 3.41Å; A76-I80 PolarHBondContact O-N 2.93Å
77L67.5Low65.8Low6 Ų669.9 Ų69.93%0.03135%0.346CS..Hα-helixtrans-65.8-38.2174-72.8165000112.6L14 I17 I72 N73 T75 E79 I80 K81L14-L77 HydrophobicContact CB-CD1 3.78Å; L14-L77 HydrophobicContact CB-CD2 4.06Å; L14-L77 HydrophobicContact CD1-CD1 4.02Å; L14-L77 HydrophobicContact CD1-CD2 3.91Å; L14-L77 HydrophobicContact CD1-CG 4.44Å; L14-L77 HydrophobicContact CD2-CD1 4.19Å; L14-L77 HydrophobicContact CG-CD1 4.21Å; I17-L77 HydrophobicContact CD1-CD2 4.07Å; I72-L77 HydrophobicContact CG2-CD1 4.02Å; I72-L77 HydrophobicContact CG2-CD2 4.1Å; I72-L77 HydrophobicContact CG2-CG 3.68Å; N73-L77 PolarHBondContact O-N 3.25Å; T75-L77 VanDerWaalsContact C-N 3.33Å; T75-L77 PolarHBondContact O-N 2.88Å; L77-E79 VanDerWaalsContact C-N 3.35Å; L77-I80 PolarHBondContact O-N 3.1Å; L77-K81 PolarHBondContact O-N 2.85Å
78R65.7Low68.3Low125 Ų12567 Ų6747%0.47233%0.332SS..Hα-helixtrans-66.2-40.2176.1-169.8177.9-174.5176.52.6111.2R74 T75 K81 L82R74-R78 PolarHBondContact O-N 3.38Å; T75-R78 WeakPolarHBondContact O-CB 3.43Å; T75-R78 PolarHBondContact O-N 3.36Å; T75-R78 VanDerWaalsContact O-N 3.15Å; R78-K81 PolarHBondContact O-N 2.79Å; R78-L82 HydrophobicContact CG-CD1 4.32Å; R78-L82 WeakPolarHBondContact O-CB 3.1Å; R78-L82 VanDerWaalsContact O-CG 3.32Å; R78-L82 WeakPolarHBondContact O-CG 3.42Å; R78-L82 PolarHBondContact O-N 2.89Å
79E67.9Low70.7Confident48 Ų4868.8 Ų68.822%0.22434%0.34CS..Hα-helixtrans-61.3-44.5173.9-72.3167.7-158.200111.5T75 A76 L77 K81 L82 L83T75-E79 WeakPolarHBondContact O-CG 3.33Å; T75-E79 PolarHBondContact O-N 3.43Å; A76-E79 PolarHBondContact O-N 2.82Å; L77-E79 VanDerWaalsContact C-N 3.35Å; E79-K81 PolarHBondContact O-N 3.42Å; E79-L82 PolarHBondContact O-N 2.8Å; E79-L83 VanDerWaalsContact O-CB 3.3Å; E79-L83 WeakPolarHBondContact O-CB 3.32Å; E79-L83 PolarHBondContact O-N 2.91Å
80I74.3Confident73.3Confident4 Ų460.3 Ų60.32%0.02130%0.304CS..Hα-helixtrans-60-46175.3-68.5164.6000110.9I17 A76 L77 L83 Q84 L94 A97 I104 L106I17-I80 HydrophobicContact CD1-CD1 4.48Å; I17-I80 HydrophobicContact CD1-CG2 4.03Å; A76-I80 WeakPolarHBondContact O-CD1 3.49Å; A76-I80 VanDerWaalsContact O-CG1 3.23Å; A76-I80 WeakPolarHBondContact O-CG1 3.41Å; A76-I80 PolarHBondContact O-N 2.93Å; L77-I80 PolarHBondContact O-N 3.1Å; I80-L83 WeakPolarHBondContact O-CB 3.42Å; I80-L83 PolarHBondContact O-N 2.88Å; I80-Q84 WeakPolarHBondContact O-CG 3.3Å; I80-Q84 PolarHBondContact O-N 3.44Å; I80-L94 HydrophobicContact CG2-CD2 3.87Å; I80-A97 HydrophobicContact CG2-CB 4.37Å; I80-I104 HydrophobicContact CD1-CG2 4.14Å; I80-L106 HydrophobicContact CD1-CD2 3.74Å; I80-L106 HydrophobicContact CG1-CD1 4.32Å; I80-L106 HydrophobicContact CG1-CD2 3.68Å
81K75.3Confident75.5Confident63 Ų6353 Ų5327%0.27427%0.265SS..Hα-helixtrans-62.7-45.4178.1-173.1172.9171.4178.20111.8E9 L13 L77 R78 E79 L83 Q84 E85E9-K81 IonicContact OE1-NZ 3.26Å; E9-K81 PolarHBondContact OE1-NZ 2.92Å; E9-K81 IonicContact OE2-NZ 3.89Å; E9-K81 PolarHBondContact OE2-NZ 3.36Å; L13-K81 HydrophobicContact CD2-CB 3.78Å; L13-K81 HydrophobicContact CD2-CD 4.45Å; L13-K81 HydrophobicContact CD2-CG 4.34Å; L77-K81 PolarHBondContact O-N 2.85Å; R78-K81 PolarHBondContact O-N 2.79Å; E79-K81 PolarHBondContact O-N 3.42Å; K81-L83 VanDerWaalsContact C-N 3.31Å; K81-L83 PolarHBondContact O-N 3.18Å; K81-Q84 WeakPolarHBondContact O-CB 3.47Å; K81-Q84 PolarHBondContact O-N 2.97Å; K81-Q84 VanDerWaalsContact O-N 3.11Å; K81-E85 WeakPolarHBondContact CE-OE1 3.26Å; K81-E85 WeakPolarHBondContact O-CG 3.4Å; K81-E85 PolarHBondContact O-N 3.39Å; K81-E85 VanDerWaalsContact O-N 3.1Å
82L75.6Confident77.2Confident29 Ų2951.4 Ų51.415%0.15225%0.247CC..Hα-helixtrans-59.2-44.5176-74.9169.6000111.2R78 E79 Q84 E85 L86 V150R78-L82 HydrophobicContact CG-CD1 4.32Å; R78-L82 WeakPolarHBondContact O-CB 3.1Å; R78-L82 VanDerWaalsContact O-CG 3.32Å; R78-L82 WeakPolarHBondContact O-CG 3.42Å; R78-L82 PolarHBondContact O-N 2.89Å; E79-L82 PolarHBondContact O-N 2.8Å; L82-Q84 VanDerWaalsContact C-N 3.26Å; L82-Q84 PolarHBondContact O-N 2.83Å; L82-E85 PolarHBondContact O-N 3.01Å; L82-L86 WeakPolarHBondContact O-CG 3.35Å; L82-L86 PolarHBondContact O-N 3.15Å; L82-V150 HydrophobicContact CD2-CG2 4.29Å
83L78.1Confident78.7Confident11 Ų1151.7 Ų51.76%0.05825%0.253CS..Hα-helixtrans-60.3-33.6174.9-92.1170.9000113.6E79 I80 K81 E85 L94 F108 F173E79-L83 VanDerWaalsContact O-CB 3.3Å; E79-L83 WeakPolarHBondContact O-CB 3.32Å; E79-L83 PolarHBondContact O-N 2.91Å; I80-L83 WeakPolarHBondContact O-CB 3.42Å; I80-L83 PolarHBondContact O-N 2.88Å; K81-L83 VanDerWaalsContact C-N 3.31Å; K81-L83 PolarHBondContact O-N 3.18Å; L83-E85 VanDerWaalsContact C-N 3.31Å; L83-L94 HydrophobicContact CB-CB 4.09Å; L83-L94 HydrophobicContact CB-CD2 4.24Å; L83-F108 HydrophobicContact CD1-CE1 4.09Å; L83-F108 HydrophobicContact CD1-CZ 4.13Å; L83-F108 HydrophobicContact CD2-CE1 4.26Å; L83-F173 HydrophobicContact CD1-CD2 4.14Å; L83-F173 HydrophobicContact CD2-CD2 3.16Å; L83-F173 HydrophobicContact CD2-CE2 3.17Å; L83-F173 HydrophobicContact CD2-CG 4.28Å; L83-F173 HydrophobicContact CD2-CZ 4.33Å; L83-F173 HydrophobicContact CG-CD2 3.71Å; L83-F173 HydrophobicContact CG-CE2 4.21Å
84Q80.6Confident80Confident78 Ų7849.5 Ų49.536%0.36424%0.241SC..Hα-helixtrans-75.3-19.4174.5-72.1178.4-35.300113.1I80 K81 L82 H87 L94I80-Q84 WeakPolarHBondContact O-CG 3.3Å; I80-Q84 PolarHBondContact O-N 3.44Å; K81-Q84 WeakPolarHBondContact O-CB 3.47Å; K81-Q84 PolarHBondContact O-N 2.97Å; K81-Q84 VanDerWaalsContact O-N 3.11Å; L82-Q84 VanDerWaalsContact C-N 3.26Å; L82-Q84 PolarHBondContact O-N 2.83Å; Q84-H87 PolarHBondContact O-CE1 2.79Å; Q84-L94 HydrophobicContact CG-CD2 3.82Å
85E82.9Confident81.4Confident113 Ų11346.7 Ų46.753%0.52824%0.237SC..Hα-helixtrans-94.4-32-179.4-71.5172.7-176.400111.6K81 L82 L83 H87K81-E85 WeakPolarHBondContact CE-OE1 3.26Å; K81-E85 WeakPolarHBondContact O-CG 3.4Å; K81-E85 PolarHBondContact O-N 3.39Å; K81-E85 VanDerWaalsContact O-N 3.1Å; L82-E85 PolarHBondContact O-N 3.01Å; L83-E85 VanDerWaalsContact C-N 3.31Å; E85-H87 PolarHBondContact O-N 3.22Å; E85-H87 PolarHBondContact O-ND1 3.4Å
86L86.1Confident82.8Confident7 Ų744.7 Ų44.74%0.03722%0.224CC..  trans-80.3102.9-178.8-64.3175.2000112L82 I91 F144 H148 V150L82-L86 WeakPolarHBondContact O-CG 3.35Å; L82-L86 PolarHBondContact O-N 3.15Å; L86-I91 HydrophobicContact CB-CG2 4.26Å; L86-F144 HydrophobicContact CB-CE1 4.31Å; L86-F144 HydrophobicContact CD2-CD1 4.26Å; L86-F144 HydrophobicContact CD2-CE1 3.73Å; L86-H148 HydrophobicContact CD2-CB 3.94Å; L86-V150 HydrophobicContact CD1-CG1 4.39Å; L86-V150 HydrophobicContact CD1-CG2 4.36Å; L86-V150 HydrophobicContact CD2-CG2 4.4Å
87H91.8Very high83.8Confident139 Ų13943.8 Ų43.864%0.64422%0.216SC*.  trans-116.9107.2175.9-63.291.7000111.1Q84 E85 F144Q84-H87 PolarHBondContact O-CE1 2.79Å; E85-H87 PolarHBondContact O-N 3.22Å; E85-H87 PolarHBondContact O-ND1 3.4Å; H87-F144 WeakPolarHBondContact O-CZ 3.48Å
88H96.1Very high84.5Confident47 Ų4744.1 Ų44.122%0.21822%0.217CC..  trans-150.7145.8178.7-173.9-97.2000110.8N90 I91 F144H88-N90 PolarHBondContact CE1-OD1 3.18Å; H88-N90 VanDerWaalsContact CE1-OD1 3.3Å; H88-N90 PolarHBondContact ND1-N 2.88Å; H88-N90 PolarHBondContact O-N 2.91Å; H88-N90 VanDerWaalsContact O-N 3.11Å; H88-I91 HydrophobicContact CB-CB 4.05Å; H88-I91 HydrophobicContact CB-CD1 3.74Å; H88-I91 HydrophobicContact CB-CG1 3.84Å; H88-I91 PolarHBondContact O-N 3.3Å; H88-F144 HydrophobicContact CB-CB 4.42Å; H88-F144 HydrophobicContact CB-CD1 3.87Å; H88-F144 HydrophobicContact CB-CD2 4.21Å; H88-F144 HydrophobicContact CB-CE1 4.11Å; H88-F144 HydrophobicContact CB-CE2 4.44Å; H88-F144 HydrophobicContact CB-CG 3.9Å; H88-F144 HydrophobicContact CB-CZ 4.38Å; H88-F144 AromaticContact CD2-CD2 3.67Å; H88-F144 AromaticContact CD2-CG 3.77Å; H88-F144 AromaticContact CG-CG 3.9Å
89P97.3Very high84.9Confident84 Ų8438.2 Ų38.255%0.54520%0.196SC..THydrogen-bonded Turntrans-53.2-34.4178.8-29.336.6000114K169P89-K169 WeakPolarHBondContact O-CG 3.49Å; P89-K169 PolarHBondContact O-NZ 2.89Å
90N97.9Very high84.9Confident9 Ų941.1 Ų41.15%0.04821%0.209CC..THydrogen-bonded Turntrans-100.421.9-179.7-51.2106.7000114.8H88 M137 L168 K169 L170H88-N90 PolarHBondContact CE1-OD1 3.18Å; H88-N90 VanDerWaalsContact CE1-OD1 3.3Å; H88-N90 PolarHBondContact ND1-N 2.88Å; H88-N90 PolarHBondContact O-N 2.91Å; H88-N90 VanDerWaalsContact O-N 3.11Å; N90-M137 VanDerWaalsContact CB-O 3.28Å; N90-M137 WeakPolarHBondContact CB-O 3.49Å; N90-M137 WeakPolarHBondContact ND2-CB 3.18Å; N90-M137 WeakPolarHBondContact ND2-CG 3.38Å; N90-L168 VanDerWaalsContact CA-O 3.25Å; N90-L168 WeakPolarHBondContact CA-O 3.23Å; N90-L168 WeakPolarHBondContact CB-O 3.49Å; N90-L168 PolarHBondContact ND2-O 2.94Å; N90-K169 WeakPolarHBondContact O-CA 3.25Å; N90-L170 WeakPolarHBondContact O-CG 3.37Å; N90-L170 PolarHBondContact O-N 3.03Å
91I95.3Very high84.6Confident3 Ų347.6 Ų47.62%0.01524%0.237CC..BIsolated β-bridgetrans-124.4138.1173.6-65-179.4000107.4L86 H88 G93 F144 M145 F173L86-I91 HydrophobicContact CB-CG2 4.26Å; H88-I91 HydrophobicContact CB-CB 4.05Å; H88-I91 HydrophobicContact CB-CD1 3.74Å; H88-I91 HydrophobicContact CB-CG1 3.84Å; H88-I91 PolarHBondContact O-N 3.3Å; I91-G93 PolarHBondContact O-N 3.47Å; I91-F144 HydrophobicContact CD1-CB 4.4Å; I91-F144 HydrophobicContact CD1-CD1 3.4Å; I91-F144 VanDerWaalsContact CD1-CD1 3.4Å; I91-F144 HydrophobicContact CD1-CE1 4.04Å; I91-F144 HydrophobicContact CD1-CG 4.25Å; I91-M145 HydrophobicContact CD1-CG 3.56Å; I91-M145 HydrophobicContact CD1-SD 4.4Å; I91-M145 HydrophobicContact CG1-CG 4.42Å; I91-F173 HydrophobicContact CG2-CE1 4.38Å; I91-F173 HydrophobicContact CG2-CE2 4.29Å; I91-F173 HydrophobicContact CG2-CZ 3.58Å
92I92.6Very high84Confident6 Ų646.5 Ų46.53%0.03124%0.237CC..  trans-67.6125177.7-165.869.1000110F108 D109 M111 K169 L170 A171 F173I92-F108 HydrophobicContact CD1-CB 4.44Å; I92-F108 HydrophobicContact CG1-CB 4.06Å; I92-F108 HydrophobicContact CG1-CD1 3.85Å; I92-F108 HydrophobicContact CG1-CG 4.24Å; I92-F108 HydrophobicContact CG2-CD1 4.32Å; I92-F108 HydrophobicContact CG2-CE1 4.45Å; I92-D109 HydrophobicContact CD1-CB 4.18Å; I92-M111 HydrophobicContact CD1-CG 3.83Å; I92-M111 HydrophobicContact CD1-SD 3.82Å; I92-K169 HydrophobicContact CB-CB 4.41Å; I92-K169 HydrophobicContact CD1-CD 3.95Å; I92-L170 WeakPolarHBondContact CB-O 3.35Å; I92-L170 VanDerWaalsContact CG2-O 3.31Å; I92-L170 WeakPolarHBondContact CG2-O 3.24Å; I92-L170 PolarHBondContact N-O 3.03Å; I92-A171 HydrophobicContact CB-CB 4.28Å; I92-A171 HydrophobicContact CG2-CB 3.89Å; I92-F173 HydrophobicContact CG2-CD2 4.47Å; I92-F173 HydrophobicContact CG2-CE2 3.55Å; I92-F173 HydrophobicContact CG2-CZ 4.2Å
93G87.1Confident83.8Confident18 Ų1850 Ų5019%0.18626%0.256CS..  trans-86.6133.9-17800000111.7I91 L95 F108I91-G93 PolarHBondContact O-N 3.47Å; G93-L95 PolarHBondContact O-N 3.11Å; G93-F108 WeakPolarHBondContact O-CD1 3.39Å
94L88.8Confident83.7Confident21 Ų2149.9 Ų49.911%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-82.9107.7169.3-175.973000109.4I80 L83 Q84 D96 A97 L106 F108I80-L94 HydrophobicContact CG2-CD2 3.87Å; L83-L94 HydrophobicContact CB-CB 4.09Å; L83-L94 HydrophobicContact CB-CD2 4.24Å; Q84-L94 HydrophobicContact CG-CD2 3.82Å; L94-D96 WeakPolarHBondContact CD1-O 3.46Å; L94-A97 HydrophobicContact CD2-CB 4.34Å; L94-L106 HydrophobicContact CD1-CB 3.77Å; L94-L106 HydrophobicContact CD1-CD2 4.12Å; L94-L106 HydrophobicContact CD1-CG 4.4Å; L94-F108 HydrophobicContact CB-CD1 4.5Å; L94-F108 HydrophobicContact CB-CE1 4.14Å; L94-F108 HydrophobicContact CD1-CD1 4.18Å; L94-F108 HydrophobicContact CD1-CE1 3.65Å; L94-F108 HydrophobicContact CD1-CE2 4.31Å; L94-F108 HydrophobicContact CD1-CZ 3.73Å
95L88.2Confident83.9Confident89 Ų8946.7 Ų46.747%0.46624%0.242SC..EExtended strand (participates in β ladder)trans-77.7-40.1-179.3-58.7179.2000112V55 G93 V107V55-L95 HydrophobicContact CG1-CD1 3.88Å; G93-L95 PolarHBondContact O-N 3.11Å; L95-V107 HydrophobicContact CB-CG1 4.37Å; L95-V107 PolarHBondContact N-O 3.17Å
96D86.6Confident84.1Confident16 Ų1642 Ų429%0.08622%0.22CC..EExtended strand (participates in β ladder)trans-155157.2-180-158.512.7000111.8R25 Y29 L94 V107R25-D96 IonicContact CZ-OD1 3.56Å; R25-D96 IonicContact CZ-OD2 3.63Å; R25-D96 IonicContact NE-OD2 2.58Å; R25-D96 VanDerWaalsContact NH1-CG 3.31Å; R25-D96 IonicContact NH1-OD1 3.26Å; R25-D96 PolarHBondContact NH1-OD1 2.77Å; R25-D96 IonicContact NH1-OD2 3.75Å; R25-D96 PolarHBondContact NH1-OD2 2.7Å; R25-D96 IonicContact NH2-OD1 3.4Å; Y29-D96 VanDerWaalsContact OH-CB 3.29Å; Y29-D96 WeakPolarHBondContact OH-CB 3.49Å; Y29-D96 PolarHBondContact OH-OD2 3.25Å; L94-D96 WeakPolarHBondContact CD1-O 3.46Å; D96-V107 HydrophobicContact CB-CB 3.9Å; D96-V107 HydrophobicContact CB-CG2 3.94Å; D96-V107 PolarHBondContact N-O 3.35Å; D96-V107 WeakPolarHBondContact O-CB 3.31Å; D96-V107 PolarHBondContact O-N 3.3Å
97A83.6Confident84.3Confident3 Ų341.6 Ų41.63%0.02522%0.218CC..EExtended strand (participates in β ladder)trans-138.7133.5170.300000109.6R25 I80 L94 S105 L106R25-A97 PolarHBondContact NH1-O 3.3Å; I80-A97 HydrophobicContact CG2-CB 4.37Å; L94-A97 HydrophobicContact CD2-CB 4.34Å; A97-S105 WeakPolarHBondContact CA-O 3.35Å; A97-L106 HydrophobicContact CB-CD2 3.81Å
98F82.4Confident84.4Confident13 Ų1336.1 Ų36.16%0.05719%0.192CC..EExtended strand (participates in β ladder)trans-148.2150.117660.9-90.9000110.5R25 Y29 S105 V107R25-F98 HydrophobicContact CB-CB 4.33Å; R25-F98 HydrophobicContact CB-CG 4.37Å; Y29-F98 HydrophobicContact CD2-CD1 4.36Å; Y29-F98 AromaticContact CD2-CE1 3.51Å; Y29-F98 HydrophobicContact CD2-CE1 3.51Å; Y29-F98 AromaticContact CD2-CZ 3.97Å; Y29-F98 HydrophobicContact CD2-CZ 3.97Å; Y29-F98 HydrophobicContact CE2-CD1 4.1Å; Y29-F98 AromaticContact CE2-CE1 3.6Å; Y29-F98 HydrophobicContact CE2-CE1 3.6Å; Y29-F98 HydrophobicContact CE2-CZ 4.49Å; F98-S105 PolarHBondContact N-O 3.22Å; F98-S105 PolarHBondContact O-N 3.36Å; F98-V107 HydrophobicContact CD1-CG2 4.14Å; F98-V107 HydrophobicContact CE1-CG2 3.57Å
99G75.1Confident84.2Confident2 Ų236.6 Ų36.62%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-173154.7179.700000113.6V22 N103V22-G99 VanDerWaalsContact CG2-C 3.45Å; V22-G99 WeakPolarHBondContact CG2-O 3.45Å; G99-N103 CarbonylContact C-O 3.52Å; G99-N103 WeakPolarHBondContact CA-O 3.27Å
100H67Low84Confident108 Ų10834.9 Ų34.950%0.518%0.181SC..EExtended strand (participates in β ladder)trans-121.1125.3174.7-175.9-85.3000109.7V22 S102 N103V22-H100 HydrophobicContact CB-CB 4.3Å; V22-H100 HydrophobicContact CG1-CB 4.07Å; V22-H100 HydrophobicContact CG2-CB 3.92Å; H100-S102 PolarHBondContact O-N 3.05Å; H100-S102 VanDerWaalsContact O-N 3.17Å; H100-N103 PolarHBondContact N-O 2.83Å; H100-N103 VanDerWaalsContact N-O 3.08Å; H100-N103 PolarHBondContact O-N 3.04Å; H100-N103 VanDerWaalsContact O-N 3.11Å
101K67.4Low83.9Confident140 Ų14035.4 Ų35.461%0.60918%0.183SC*.THydrogen-bonded Turntrans53.1-116.9-174.9-67.1174.5177-178.20110.2I72I72-K101 VanDerWaalsContact CD1-O 3.25Å; I72-K101 WeakPolarHBondContact CD1-O 3.47Å; I72-K101 WeakPolarHBondContact CG1-O 3.45Å
102S63Low83.7Confident41 Ų4140.3 Ų40.329%0.28721%0.206SC..THydrogen-bonded Turntrans-87.8-8.3-176.7490000114.3V62 H100 I104V62-S102 WeakPolarHBondContact CG2-O 3.33Å; H100-S102 PolarHBondContact O-N 3.05Å; H100-S102 VanDerWaalsContact O-N 3.17Å; S102-I104 PolarHBondContact O-N 2.85Å
103N71Confident83.8Confident102 Ų10241.2 Ų41.255%0.54521%0.212SC..EExtended strand (participates in β ladder)trans-93.6101.2-177.6-68.7-34.9000110.7V62 G99 H100V62-N103 WeakPolarHBondContact CG2-OD1 3.39Å; G99-N103 CarbonylContact C-O 3.52Å; G99-N103 WeakPolarHBondContact CA-O 3.27Å; H100-N103 PolarHBondContact N-O 2.83Å; H100-N103 VanDerWaalsContact N-O 3.08Å; H100-N103 PolarHBondContact O-N 3.04Å; H100-N103 VanDerWaalsContact O-N 3.11Å
104I77.9Confident84.2Confident8 Ų842 Ų424%0.04121%0.212CC..EExtended strand (participates in β ladder)trans-101.9134.7176.9-57171.1000109.7K59 I60 I72 I80 S102 L106K59-I104 WeakPolarHBondContact CA-O 3.24Å; I60-I104 HydrophobicContact CB-CB 4.46Å; I60-I104 HydrophobicContact CG1-CB 4.26Å; I60-I104 PolarHBondContact N-O 2.63Å; I72-I104 HydrophobicContact CB-CD1 4.14Å; I72-I104 HydrophobicContact CD1-CD1 3.53Å; I72-I104 HydrophobicContact CD1-CG1 3.55Å; I72-I104 HydrophobicContact CG1-CD1 3.69Å; I72-I104 HydrophobicContact CG1-CG1 4.03Å; I72-I104 HydrophobicContact CG2-CD1 3.39Å; I80-I104 HydrophobicContact CD1-CG2 4.14Å; S102-I104 PolarHBondContact O-N 2.85Å; I104-L106 HydrophobicContact CG2-CD2 3.82Å; I104-L106 HydrophobicContact CG2-CG 4.28Å
105S84.7Confident84.5Confident11 Ų1141 Ų418%0.07721%0.207CC..EExtended strand (participates in β ladder)trans-117.6126.4170.6-57.50000108.9A97 F98A97-S105 WeakPolarHBondContact CA-O 3.35Å; F98-S105 PolarHBondContact N-O 3.22Å; F98-S105 PolarHBondContact O-N 3.36Å
106L86.6Confident84.9Confident14 Ų1439.2 Ų39.27%0.07320%0.196CC..EExtended strand (participates in β ladder)trans-107.4132.5175.1-57.3-178.3000108.7I57 K58 I60 I80 L94 A97 I104 F108I57-L106 CarbonylContact C-O 3.48Å; I57-L106 WeakPolarHBondContact CA-O 3.32Å; K58-L106 HydrophobicContact CB-CB 4.49Å; K58-L106 PolarHBondContact N-O 3.2Å; K58-L106 PolarHBondContact O-N 3.05Å; I60-L106 HydrophobicContact CD1-CD1 4.38Å; I80-L106 HydrophobicContact CD1-CD2 3.74Å; I80-L106 HydrophobicContact CG1-CD1 4.32Å; I80-L106 HydrophobicContact CG1-CD2 3.68Å; L94-L106 HydrophobicContact CD1-CB 3.77Å; L94-L106 HydrophobicContact CD1-CD2 4.12Å; L94-L106 HydrophobicContact CD1-CG 4.4Å; A97-L106 HydrophobicContact CB-CD2 3.81Å; I104-L106 HydrophobicContact CG2-CD2 3.82Å; I104-L106 HydrophobicContact CG2-CG 4.28Å; L106-F108 HydrophobicContact CB-CD2 4.31Å; L106-F108 HydrophobicContact CB-CE2 3.44Å; L106-F108 VanDerWaalsContact CB-CE2 3.44Å; L106-F108 HydrophobicContact CB-CZ 3.79Å; L106-F108 HydrophobicContact CD1-CE2 4.32Å; L106-F108 HydrophobicContact CD1-CZ 4.06Å
107V90.2Very high85.3Confident0 Ų041.5 Ų41.50%021%0.21CC..EExtended strand (participates in β ladder)trans-109.5124.2-177.5-171.80000108.9Y29 V55 A56 I57 L95 D96 F98Y29-V107 HydrophobicContact CD1-CG1 4.45Å; Y29-V107 HydrophobicContact CD2-CG2 4.45Å; Y29-V107 HydrophobicContact CE1-CG1 3.81Å; Y29-V107 HydrophobicContact CE1-CG2 4.35Å; Y29-V107 HydrophobicContact CE2-CG2 3.96Å; V55-V107 HydrophobicContact CB-CG1 3.79Å; V55-V107 HydrophobicContact CG1-CG1 4.16Å; V55-V107 HydrophobicContact CG2-CG1 3.82Å; A56-V107 WeakPolarHBondContact O-CA 3.21Å; I57-V107 HydrophobicContact CG1-CG2 4.34Å; L95-V107 HydrophobicContact CB-CG1 4.37Å; L95-V107 PolarHBondContact N-O 3.17Å; D96-V107 HydrophobicContact CB-CB 3.9Å; D96-V107 HydrophobicContact CB-CG2 3.94Å; D96-V107 PolarHBondContact N-O 3.35Å; D96-V107 WeakPolarHBondContact O-CB 3.31Å; D96-V107 PolarHBondContact O-N 3.3Å; F98-V107 HydrophobicContact CD1-CG2 4.14Å; F98-V107 HydrophobicContact CE1-CG2 3.57Å
108F92.8Very high85.8Confident23 Ų2341.4 Ų41.410%0.10121%0.209CC..EExtended strand (participates in β ladder)trans-124.2165.9-179.6-59-84.2000110.5V55 A56 K58 L83 I92 G93 L94 L106V55-F108 WeakPolarHBondContact CA-O 3.5Å; V55-F108 WeakPolarHBondContact CB-O 3.39Å; A56-F108 PolarHBondContact N-O 2.87Å; A56-F108 PolarHBondContact O-N 3.08Å; K58-F108 HydrophobicContact CB-CD2 4.37Å; K58-F108 HydrophobicContact CB-CE2 3.96Å; K58-F108 HydrophobicContact CD-CE2 4.42Å; L83-F108 HydrophobicContact CD1-CE1 4.09Å; L83-F108 HydrophobicContact CD1-CZ 4.13Å; L83-F108 HydrophobicContact CD2-CE1 4.26Å; I92-F108 HydrophobicContact CD1-CB 4.44Å; I92-F108 HydrophobicContact CG1-CB 4.06Å; I92-F108 HydrophobicContact CG1-CD1 3.85Å; I92-F108 HydrophobicContact CG1-CG 4.24Å; I92-F108 HydrophobicContact CG2-CD1 4.32Å; I92-F108 HydrophobicContact CG2-CE1 4.45Å; G93-F108 WeakPolarHBondContact O-CD1 3.39Å; L94-F108 HydrophobicContact CB-CD1 4.5Å; L94-F108 HydrophobicContact CB-CE1 4.14Å; L94-F108 HydrophobicContact CD1-CD1 4.18Å; L94-F108 HydrophobicContact CD1-CE1 3.65Å; L94-F108 HydrophobicContact CD1-CE2 4.31Å; L94-F108 HydrophobicContact CD1-CZ 3.73Å; L106-F108 HydrophobicContact CB-CD2 4.31Å; L106-F108 HydrophobicContact CB-CE2 3.44Å; L106-F108 VanDerWaalsContact CB-CE2 3.44Å; L106-F108 HydrophobicContact CB-CZ 3.79Å; L106-F108 HydrophobicContact CD1-CE2 4.32Å; L106-F108 HydrophobicContact CD1-CZ 4.06Å
109D92.5Very high86.5Confident57 Ų5740.8 Ų40.831%0.30521%0.206SC..EExtended strand (participates in β ladder)trans-52.8141.1162.8-63.8-45.4000110.4I92 M111I92-D109 HydrophobicContact CD1-CB 4.18Å; D109-M111 HydrophobicContact CB-SD 4.44Å
110F94.3Very high87.3Confident48 Ų4846.6 Ų46.621%0.21123%0.231CC..  trans-76.9126.3172.2175.4-98.7000110.2L35 K45 I54 E112L35-F110 HydrophobicContact CD1-CD2 4.13Å; L35-F110 HydrophobicContact CD1-CE2 3.82Å; L35-F110 HydrophobicContact CD2-CE2 4.15Å; K45-F110 HydrophobicContact CD-CD2 4.4Å; K45-F110 HydrophobicContact CD-CE2 3.92Å; K45-F110 HydrophobicContact CD-CZ 4.25Å; K45-F110 HydrophobicContact CG-CD2 4.06Å; K45-F110 HydrophobicContact CG-CE2 4Å; I54-F110 HydrophobicContact CB-CB 4.37Å; I54-F110 HydrophobicContact CG2-CB 3.71Å; I54-F110 HydrophobicContact CG2-CD1 3.98Å; I54-F110 HydrophobicContact CG2-CD2 4.12Å; I54-F110 HydrophobicContact CG2-CG 3.64Å; F110-E112 HydrophobicContact CE1-CG 4.2Å
111M94.6Very high88.6Confident20 Ų2043.3 Ų43.310%0.09922%0.218CC..  trans-107.2136.5176.1-52.2-58.9-73.200108.7I92 D109 L161 L162 D163 K169I92-M111 HydrophobicContact CD1-CG 3.83Å; I92-M111 HydrophobicContact CD1-SD 3.82Å; D109-M111 HydrophobicContact CB-SD 4.44Å; M111-L161 HydrophobicContact CB-CB 3.74Å; M111-L161 HydrophobicContact CB-CD1 4.15Å; M111-L161 HydrophobicContact CB-CG 4.49Å; M111-L161 HydrophobicContact CE-CB 3.8Å; M111-L161 WeakPolarHBondContact CE-O 3.45Å; M111-L161 HydrophobicContact CG-CB 3.65Å; M111-L161 HydrophobicContact CG-CD1 3.76Å; M111-L161 HydrophobicContact CG-CG 4.36Å; M111-L162 CarbonylContact C-O 3.41Å; M111-D163 HydrophobicContact CE-CB 3.84Å; M111-D163 VanDerWaalsContact CE-N 3.25Å; M111-D163 HydrophobicContact SD-CB 3.94Å; M111-K169 HydrophobicContact CE-CB 3.94Å; M111-K169 HydrophobicContact CE-CD 3.78Å; M111-K169 HydrophobicContact CE-CG 3.96Å; M111-K169 HydrophobicContact SD-CD 3.95Å
112E92.4Very high89.6Confident106 Ų10642.7 Ų42.750%0.49523%0.226SC..SBendtrans-74.9-38.9-174.2-70.1-172.7171.500112F110 L162 G164 R326F110-E112 HydrophobicContact CE1-CG 4.2Å; E112-L162 PolarHBondContact N-O 3.43Å; E112-G164 WeakPolarHBondContact OE1-CA 3.32Å; E112-G164 WeakPolarHBondContact OE2-CA 3.15Å; E112-R326 IonicContact OE2-NH1 3.68Å
113T94.1Very high91.1Very high26 Ų2644.5 Ų44.516%0.1624%0.238CC..EExtended strand (participates in β ladder)trans-151.9-177.7-176-162.10000110.9V117 I118 L162 P327T113-V117 WeakPolarHBondContact OG1-CB 3.37Å; T113-I118 HydrophobicContact CG2-CD1 3.99Å; T113-I118 HydrophobicContact CG2-CG1 4.17Å; T113-L162 HydrophobicContact CG2-CB 4.06Å; T113-L162 PolarHBondContact N-O 3Å; T113-L162 PolarHBondContact O-N 2.75Å; T113-P327 HydrophobicContact CG2-CG 4.21Å
114D94.6Very high92.1Very high35 Ų3540.7 Ų40.719%0.18722%0.218CC..EExtended strand (participates in β ladder)trans-129.1167.6172.461.662000109.8E116 V117 I118 L160 L161D114-E116 PolarHBondContact O-N 3.33Å; D114-E116 WeakPolarHBondContact OD1-CA 3.39Å; D114-E116 WeakPolarHBondContact OD1-CB 3.33Å; D114-E116 PolarHBondContact OD1-N 3.47Å; D114-V117 PolarHBondContact O-N 2.81Å; D114-V117 PolarHBondContact OD1-N 3.19Å; D114-I118 PolarHBondContact O-N 3.44Å; D114-L160 CarbonylContact C-O 3.34Å; D114-L160 WeakPolarHBondContact CA-O 3.5Å; D114-L161 HydrophobicContact CB-CD2 3.76Å
115L96.6Very high92.8Very high0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-69.8-22.5-176.7-162.369.8000112.3I118 I119 Y134 P157 L160 L162 I219 L223L115-I118 HydrophobicContact CD1-CB 4.46Å; L115-I118 HydrophobicContact CD1-CD1 4.38Å; L115-I118 PolarHBondContact O-N 3.41Å; L115-I119 HydrophobicContact CD2-CD1 4.3Å; L115-I119 HydrophobicContact CG-CD1 4.01Å; L115-I119 HydrophobicContact CG-CG1 4.38Å; L115-I119 WeakPolarHBondContact O-CB 3.25Å; L115-I119 WeakPolarHBondContact O-CD1 3.39Å; L115-I119 WeakPolarHBondContact O-CG1 3.43Å; L115-I119 PolarHBondContact O-N 2.91Å; L115-Y134 HydrophobicContact CD1-CD1 3.88Å; L115-Y134 HydrophobicContact CD1-CD2 3.8Å; L115-Y134 HydrophobicContact CD1-CE1 4.13Å; L115-Y134 HydrophobicContact CD1-CE2 4.04Å; L115-Y134 HydrophobicContact CD1-CG 3.72Å; L115-P157 HydrophobicContact CB-CB 4.13Å; L115-P157 WeakPolarHBondContact CB-O 3.28Å; L115-P157 PolarHBondContact N-O 2.76Å; L115-L160 HydrophobicContact CB-CB 3.92Å; L115-L160 HydrophobicContact CD2-CB 4.38Å; L115-L160 HydrophobicContact CD2-CD1 3.6Å; L115-L160 PolarHBondContact N-O 3.42Å; L115-L162 HydrophobicContact CB-CD1 4.35Å; L115-L162 HydrophobicContact CD1-CD1 4.36Å; L115-I219 HydrophobicContact CD2-CG2 3.85Å; L115-L223 HydrophobicContact CD1-CD2 4.14Å; L115-L223 HydrophobicContact CD2-CD1 4.19Å; L115-L223 HydrophobicContact CD2-CD2 4.24Å; L115-L223 HydrophobicContact CD2-CG 4.37Å; L115-L223 HydrophobicContact CG-CD2 4.24Å
116E94.9Very high93.4Very high50 Ų5046.5 Ų46.523%0.23425%0.252CS..Hα-helixtrans-64.5-45.5176.2-170.2-179.6-165.600110.6D114 I118 I119 K120 P157 N158D114-E116 PolarHBondContact O-N 3.33Å; D114-E116 WeakPolarHBondContact OD1-CA 3.39Å; D114-E116 WeakPolarHBondContact OD1-CB 3.33Å; D114-E116 PolarHBondContact OD1-N 3.47Å; E116-I118 VanDerWaalsContact C-N 3.33Å; E116-I118 PolarHBondContact O-N 2.93Å; E116-I119 PolarHBondContact O-N 2.79Å; E116-K120 HydrophobicContact CG-CD 4.11Å; E116-K120 WeakPolarHBondContact O-CB 3.38Å; E116-K120 WeakPolarHBondContact O-CG 3.31Å; E116-K120 PolarHBondContact O-N 2.82Å; E116-K120 VanDerWaalsContact OE1-CE 3.27Å; E116-K120 WeakPolarHBondContact OE1-CE 3.47Å; E116-K120 IonicContact OE1-NZ 3.08Å; E116-K120 PolarHBondContact OE1-NZ 3.17Å; E116-P157 HydrophobicContact CB-CB 3.87Å; E116-N158 HydrophobicContact CB-CB 4.06Å; E116-N158 WeakPolarHBondContact OE2-CB 3.43Å
117V94.9Very high93.9Very high64 Ų6448.2 Ų48.239%0.38826%0.263SS..Hα-helixtrans-60.9-44.5176.1178.20000110.6T113 D114 I119 K120 D121 P327T113-V117 WeakPolarHBondContact OG1-CB 3.37Å; D114-V117 PolarHBondContact O-N 2.81Å; D114-V117 PolarHBondContact OD1-N 3.19Å; V117-I119 VanDerWaalsContact C-N 3.31Å; V117-I119 PolarHBondContact O-N 2.89Å; V117-K120 PolarHBondContact O-N 3.07Å; V117-D121 WeakPolarHBondContact O-CB 3.46Å; V117-D121 PolarHBondContact O-N 3.41Å; V117-P327 HydrophobicContact CG1-CB 3.97Å; V117-P327 HydrophobicContact CG1-CG 3.7Å
118I95.9Very high94.2Very high1 Ų152.1 Ų52.11%0.00529%0.288CS..Hα-helixtrans-62.8-38177.2-65.8173.5000111.5T113 D114 L115 E116 L124 L126 Y134 L162 R226 P327T113-I118 HydrophobicContact CG2-CD1 3.99Å; T113-I118 HydrophobicContact CG2-CG1 4.17Å; D114-I118 PolarHBondContact O-N 3.44Å; L115-I118 HydrophobicContact CD1-CB 4.46Å; L115-I118 HydrophobicContact CD1-CD1 4.38Å; L115-I118 PolarHBondContact O-N 3.41Å; E116-I118 VanDerWaalsContact C-N 3.33Å; E116-I118 PolarHBondContact O-N 2.93Å; I118-L124 HydrophobicContact CG2-CD1 4.35Å; I118-L126 HydrophobicContact CG2-CD2 4.03Å; I118-Y134 HydrophobicContact CD1-CE1 4.46Å; I118-Y134 HydrophobicContact CG2-CE2 4.31Å; I118-L162 HydrophobicContact CD1-CD1 3.79Å; I118-L162 HydrophobicContact CD1-CD2 3.9Å; I118-L162 HydrophobicContact CD1-CG 4.38Å; I118-R226 VanDerWaalsContact O-CZ 3.24Å; I118-R226 PolarHBondContact O-NH1 2.89Å; I118-R226 PolarHBondContact O-NH2 3.46Å; I118-P327 HydrophobicContact CG1-CG 3.88Å
119I95.3Very high94.5Very high0 Ų051.7 Ų51.70%029%0.289CS..Hα-helixtrans-66.6-43.5177.5-75.2166.5000111.6L115 E116 V117 P157 E222 L223 R226L115-I119 HydrophobicContact CD2-CD1 4.3Å; L115-I119 HydrophobicContact CG-CD1 4.01Å; L115-I119 HydrophobicContact CG-CG1 4.38Å; L115-I119 WeakPolarHBondContact O-CB 3.25Å; L115-I119 WeakPolarHBondContact O-CD1 3.39Å; L115-I119 WeakPolarHBondContact O-CG1 3.43Å; L115-I119 PolarHBondContact O-N 2.91Å; E116-I119 PolarHBondContact O-N 2.79Å; V117-I119 VanDerWaalsContact C-N 3.31Å; V117-I119 PolarHBondContact O-N 2.89Å; I119-P157 HydrophobicContact CD1-CB 3.82Å; I119-P157 HydrophobicContact CD1-CG 3.8Å; I119-E222 HydrophobicContact CD1-CG 4.04Å; I119-E222 HydrophobicContact CG2-CG 3.74Å; I119-L223 HydrophobicContact CD1-CD2 3.96Å; I119-L223 HydrophobicContact CD1-CG 4.1Å; I119-L223 HydrophobicContact CG1-CD2 3.69Å; I119-L223 HydrophobicContact CG1-CG 4.3Å; I119-R226 VanDerWaalsContact CA-NH1 3.27Å; I119-R226 PolarHBondContact O-NE 2.87Å; I119-R226 PolarHBondContact O-NH1 3.33Å; I119-R226 PolarHBondContact O-NH2 2.89Å
120K93.5Very high94.8Very high125 Ų12550.2 Ų50.254%0.54328%0.28SS..Hα-helixtrans-78.5-25.3-175.9-71.1-179.9-177.4174.10114E116 V117 T122E116-K120 HydrophobicContact CG-CD 4.11Å; E116-K120 WeakPolarHBondContact O-CB 3.38Å; E116-K120 WeakPolarHBondContact O-CG 3.31Å; E116-K120 PolarHBondContact O-N 2.82Å; E116-K120 VanDerWaalsContact OE1-CE 3.27Å; E116-K120 WeakPolarHBondContact OE1-CE 3.47Å; E116-K120 IonicContact OE1-NZ 3.08Å; E116-K120 PolarHBondContact OE1-NZ 3.17Å; V117-K120 PolarHBondContact O-N 3.07Å; K120-T122 PolarHBondContact O-N 2.85Å
121D93.3Very high95Very high39 Ų3948.4 Ų48.421%0.20927%0.272CS..  trans-7490.7179-172.2-9.9000111V117 S123 L124 R226V117-D121 WeakPolarHBondContact O-CB 3.46Å; V117-D121 PolarHBondContact O-N 3.41Å; D121-S123 PolarHBondContact O-N 2.86Å; D121-S123 VanDerWaalsContact O-N 3.14Å; D121-S123 VanDerWaalsContact OD1-CB 3.28Å; D121-S123 WeakPolarHBondContact OD1-CB 3.34Å; D121-S123 PolarHBondContact OD1-N 2.91Å; D121-S123 PolarHBondContact OD1-OG 2.86Å; D121-S123 PolarHBondContact OD2-OG 2.79Å; D121-L124 HydrophobicContact CB-CD1 4.01Å; D121-L124 HydrophobicContact CB-CG 4.06Å; D121-L124 PolarHBondContact O-N 2.68Å; D121-R226 PolarHBondContact O-NH2 3.41Å
122T89.4Confident95.2Very high127 Ų12747.5 Ų47.578%0.77927%0.268SS*.THydrogen-bonded Turntrans-66.3-10.3179.855.40000113.9K120 L124K120-T122 PolarHBondContact O-N 2.85Å; T122-L124 VanDerWaalsContact C-N 3.29Å
123S92.8Very high95.5Very high79 Ų7942.7 Ų42.755%0.55225%0.246SC*.THydrogen-bonded Turntrans-75.1-21.417279.60000112.5D121D121-S123 PolarHBondContact O-N 2.86Å; D121-S123 VanDerWaalsContact O-N 3.14Å; D121-S123 VanDerWaalsContact OD1-CB 3.28Å; D121-S123 WeakPolarHBondContact OD1-CB 3.34Å; D121-S123 PolarHBondContact OD1-N 2.91Å; D121-S123 PolarHBondContact OD1-OG 2.86Å; D121-S123 PolarHBondContact OD2-OG 2.79Å
124L93.3Very high95.7Very high21 Ų2141.4 Ų41.411%0.1124%0.238CC..SBendtrans-84.2125174.4-58179.1000111.1I118 D121 T122 P325 R326 P327I118-L124 HydrophobicContact CG2-CD1 4.35Å; D121-L124 HydrophobicContact CB-CD1 4.01Å; D121-L124 HydrophobicContact CB-CG 4.06Å; D121-L124 PolarHBondContact O-N 2.68Å; T122-L124 VanDerWaalsContact C-N 3.29Å; L124-P325 HydrophobicContact CD2-CB 4.36Å; L124-R326 VanDerWaalsContact CD2-O 3.27Å; L124-R326 WeakPolarHBondContact CD2-O 3.43Å; L124-P327 HydrophobicContact CD1-CB 4.47Å; L124-P327 HydrophobicContact CD1-CG 4.22Å
125V93.3Very high95.9Very high114 Ų11439.8 Ų39.869%0.69123%0.23SC*.  trans-86.1116172.8-178.50000109.8H130V125-H130 PolarHBondContact O-ND1 3.37Å
126L95.6Very high96Very high27 Ų2741.3 Ų41.314%0.14124%0.238CC..  trans-90.5114.7170.6-65.1-162.8000110.9I118 H130 I131 Y134 L223 P325I118-L126 HydrophobicContact CG2-CD2 4.03Å; L126-H130 HydrophobicContact CD2-CB 4.27Å; L126-I131 HydrophobicContact CB-CG1 4.26Å; L126-I131 HydrophobicContact CD1-CG1 4.36Å; L126-Y134 HydrophobicContact CD2-CE2 4.15Å; L126-L223 HydrophobicContact CD1-CD2 3.59Å; L126-P325 HydrophobicContact CD2-CG 3.62Å
127T97.1Very high96.2Very high51 Ų5140 Ų4031%0.31323%0.232SC..  trans-84.6162.2171.669.80000110.2A129 H130 I131T127-A129 PolarHBondContact O-N 3.13Å; T127-A129 VanDerWaalsContact O-N 3.15Å; T127-A129 PolarHBondContact OG1-N 3.19Å; T127-H130 PolarHBondContact N-ND1 2.87Å; T127-H130 VanDerWaalsContact N-ND1 3.19Å; T127-H130 WeakPolarHBondContact O-CB 3.36Å; T127-H130 PolarHBondContact O-N 3.43Å; T127-H130 PolarHBondContact OG1-CD2 3.06Å; T127-H130 VanDerWaalsContact OG1-CG 3.27Å; T127-H130 PolarHBondContact OG1-N 3.04Å; T127-H130 PolarHBondContact OG1-ND1 3.06Å; T127-H130 PolarHBondContact OG1-NE2 3.07Å; T127-I131 PolarHBondContact O-N 2.85Å; T127-I131 VanDerWaalsContact O-N 3.11Å
128P97.8Very high96.4Very high81 Ų8137 Ų3753%0.52621%0.214SC..Hα-helixtrans-55.2-31.7172.8-27.335.6000113.5K132 P316P128-K132 VanDerWaalsContact O-CB 3.26Å; P128-K132 WeakPolarHBondContact O-CB 3.45Å; P128-K132 PolarHBondContact O-N 2.88Å; P128-P316 HydrophobicContact CB-CG 4.21Å
129A98.3Very high96.5Very high14 Ų1437 Ų3712%0.11621%0.213CC..Hα-helixtrans-70-34.5176.200000112.8T127 A133 P316 G317 T319T127-A129 PolarHBondContact O-N 3.13Å; T127-A129 VanDerWaalsContact O-N 3.15Å; T127-A129 PolarHBondContact OG1-N 3.19Å; A129-A133 PolarHBondContact O-N 3.02Å; A129-A133 VanDerWaalsContact O-N 3.13Å; A129-P316 HydrophobicContact CB-CB 4.24Å; A129-P316 HydrophobicContact CB-CG 4.38Å; A129-G317 VanDerWaalsContact CB-O 3.32Å; A129-G317 WeakPolarHBondContact CB-O 3.46Å; A129-T319 VanDerWaalsContact CB-OG1 3.24Å; A129-T319 WeakPolarHBondContact CB-OG1 3.23Å; A129-T319 PolarHBondContact O-N 3.02Å; A129-T319 VanDerWaalsContact O-N 3.09Å
130H98.4Very high96.7Very high27 Ų2740.3 Ų40.313%0.12523%0.229CC..Hα-helixtrans-65.4-50.6172.6-58160.2000110.7V125 L126 T127 K132 A133 Y134 T319 L324V125-H130 PolarHBondContact O-ND1 3.37Å; L126-H130 HydrophobicContact CD2-CB 4.27Å; T127-H130 PolarHBondContact N-ND1 2.87Å; T127-H130 VanDerWaalsContact N-ND1 3.19Å; T127-H130 WeakPolarHBondContact O-CB 3.36Å; T127-H130 PolarHBondContact O-N 3.43Å; T127-H130 PolarHBondContact OG1-CD2 3.06Å; T127-H130 VanDerWaalsContact OG1-CG 3.27Å; T127-H130 PolarHBondContact OG1-N 3.04Å; T127-H130 PolarHBondContact OG1-ND1 3.06Å; T127-H130 PolarHBondContact OG1-NE2 3.07Å; H130-K132 VanDerWaalsContact C-N 3.31Å; H130-K132 PolarHBondContact O-N 3.02Å; H130-A133 WeakPolarHBondContact O-CB 3.27Å; H130-A133 PolarHBondContact O-N 3.38Å; H130-A133 VanDerWaalsContact O-N 3.12Å; H130-Y134 HydrophobicContact CB-CE2 4.29Å; H130-Y134 VanDerWaalsContact O-CD2 3.25Å; H130-Y134 WeakPolarHBondContact O-CD2 3.39Å; H130-Y134 PolarHBondContact O-N 3.06Å; H130-Y134 VanDerWaalsContact O-N 3.11Å; H130-T319 PolarHBondContact CD2-OG1 3.23Å; H130-T319 VanDerWaalsContact CD2-OG1 3.24Å; H130-L324 HydrophobicContact CB-CD2 4.26Å
131I98.3Very high96.9Very high9 Ų934.3 Ų34.35%0.04620%0.203CC..Hα-helixtrans-58.6-45.6179.3-63.1177000110.3L126 T127 A133 Y134 I135 L220 L223 L224L126-I131 HydrophobicContact CB-CG1 4.26Å; L126-I131 HydrophobicContact CD1-CG1 4.36Å; T127-I131 PolarHBondContact O-N 2.85Å; T127-I131 VanDerWaalsContact O-N 3.11Å; I131-A133 VanDerWaalsContact C-N 3.3Å; I131-A133 PolarHBondContact O-N 2.96Å; I131-Y134 PolarHBondContact O-N 3.17Å; I131-I135 HydrophobicContact CG2-CG1 4.43Å; I131-I135 WeakPolarHBondContact O-CG1 3.39Å; I131-I135 PolarHBondContact O-N 2.92Å; I131-L220 HydrophobicContact CG2-CD1 3.5Å; I131-L220 VanDerWaalsContact CG2-CD1 3.5Å; I131-L223 HydrophobicContact CD1-CB 4.41Å; I131-L223 HydrophobicContact CG1-CB 4.26Å; I131-L223 HydrophobicContact CG2-CB 4.19Å; I131-L223 HydrophobicContact CG2-CD1 4.2Å; I131-L224 HydrophobicContact CD1-CD2 3.67Å; I131-L224 HydrophobicContact CD1-CG 4.36Å
132K98.8Very high97.1Very high2 Ų232.5 Ų32.51%0.00919%0.193CC..Hα-helixtrans-57.3-41.8176.6-171.3172.5-62.1-167.20112.4P128 H130 L136 Y311 F312 N314 P316 P318P128-K132 VanDerWaalsContact O-CB 3.26Å; P128-K132 WeakPolarHBondContact O-CB 3.45Å; P128-K132 PolarHBondContact O-N 2.88Å; H130-K132 VanDerWaalsContact C-N 3.31Å; H130-K132 PolarHBondContact O-N 3.02Å; K132-L136 WeakPolarHBondContact O-CB 3.17Å; K132-L136 PolarHBondContact O-N 3.33Å; K132-Y311 HydrophobicContact CB-CE1 4.02Å; K132-Y311 HydrophobicContact CD-CE1 4.41Å; K132-Y311 WeakPolarHBondContact CD-O 3.4Å; K132-Y311 WeakPolarHBondContact CE-O 3.39Å; K132-Y311 HydrophobicContact CG-CD1 4.35Å; K132-Y311 HydrophobicContact CG-CE1 3.77Å; K132-Y311 PolarHBondContact NZ-O 3.22Å; K132-F312 HydrophobicContact CG-CD1 4Å; K132-F312 HydrophobicContact CG-CE1 4.19Å; K132-N314 PolarHBondContact NZ-O 3.13Å; K132-P316 WeakPolarHBondContact CD-O 3.29Å; K132-P316 VanDerWaalsContact CE-O 3.25Å; K132-P316 WeakPolarHBondContact CE-O 3.1Å; K132-P316 PolarHBondContact NZ-O 2.87Å; K132-P318 HydrophobicContact CG-CB 4.26Å
133A98.8Very high97.6Very high4 Ų428.6 Ų28.63%0.03317%0.166CC..Hα-helixtrans-64.9-44.9177.800000112.6A129 H130 I131 L136 M137 P318 T319 L324A129-A133 PolarHBondContact O-N 3.02Å; A129-A133 VanDerWaalsContact O-N 3.13Å; H130-A133 WeakPolarHBondContact O-CB 3.27Å; H130-A133 PolarHBondContact O-N 3.38Å; H130-A133 VanDerWaalsContact O-N 3.12Å; I131-A133 VanDerWaalsContact C-N 3.3Å; I131-A133 PolarHBondContact O-N 2.96Å; A133-L136 PolarHBondContact O-N 3.49Å; A133-M137 WeakPolarHBondContact O-CE 3.38Å; A133-M137 WeakPolarHBondContact O-CG 3.45Å; A133-M137 PolarHBondContact O-N 2.69Å; A133-P318 HydrophobicContact CB-CB 3.92Å; A133-T319 WeakPolarHBondContact CB-O 3.46Å; A133-L324 HydrophobicContact CB-CD1 4.39Å; A133-L324 HydrophobicContact CB-CD2 3.89Å
134Y98.8Very high97.8Very high0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-62.8-46.2178.2-61.8-47.3000112L115 I118 L126 H130 I131 M137 T138 L162 L168 L223 L324L115-Y134 HydrophobicContact CD1-CD1 3.88Å; L115-Y134 HydrophobicContact CD1-CD2 3.8Å; L115-Y134 HydrophobicContact CD1-CE1 4.13Å; L115-Y134 HydrophobicContact CD1-CE2 4.04Å; L115-Y134 HydrophobicContact CD1-CG 3.72Å; I118-Y134 HydrophobicContact CD1-CE1 4.46Å; I118-Y134 HydrophobicContact CG2-CE2 4.31Å; L126-Y134 HydrophobicContact CD2-CE2 4.15Å; H130-Y134 HydrophobicContact CB-CE2 4.29Å; H130-Y134 VanDerWaalsContact O-CD2 3.25Å; H130-Y134 WeakPolarHBondContact O-CD2 3.39Å; H130-Y134 PolarHBondContact O-N 3.06Å; H130-Y134 VanDerWaalsContact O-N 3.11Å; I131-Y134 PolarHBondContact O-N 3.17Å; Y134-M137 HydrophobicContact CD1-CE 4.24Å; Y134-T138 WeakPolarHBondContact O-CB 3.4Å; Y134-T138 PolarHBondContact O-N 2.82Å; Y134-T138 PolarHBondContact O-OG1 2.87Å; Y134-L162 HydrophobicContact CD1-CD2 4.04Å; Y134-L162 HydrophobicContact CE1-CD2 3.45Å; Y134-L162 VanDerWaalsContact CE1-CD2 3.45Å; Y134-L168 HydrophobicContact CD1-CD1 4.12Å; Y134-L223 HydrophobicContact CD2-CD1 4.48Å; Y134-L223 HydrophobicContact CD2-CD2 4.06Å; Y134-L324 HydrophobicContact CD1-CD1 4.28Å; Y134-L324 HydrophobicContact CE1-CD1 3.76Å; Y134-L324 HydrophobicContact CE1-CD2 4.12Å; Y134-L324 HydrophobicContact CE1-CG 4.36Å
135I98.8Very high97.8Very high0 Ų025.7 Ų25.70%014%0.143CC..Hα-helixtrans-68.2-38.8178.8-59.9-54.2000111.3I131 M137 T138 L139 V216 I219 L220 L223 F312I131-I135 HydrophobicContact CG2-CG1 4.43Å; I131-I135 WeakPolarHBondContact O-CG1 3.39Å; I131-I135 PolarHBondContact O-N 2.92Å; I135-M137 PolarHBondContact O-N 2.99Å; I135-T138 PolarHBondContact O-N 3.37Å; I135-L139 HydrophobicContact CG2-CD1 3.76Å; I135-L139 HydrophobicContact CG2-CG 4.06Å; I135-L139 WeakPolarHBondContact O-CB 3.44Å; I135-L139 WeakPolarHBondContact O-CG 3.31Å; I135-L139 PolarHBondContact O-N 3.4Å; I135-V216 HydrophobicContact CG2-CG1 4.35Å; I135-I219 HydrophobicContact CD1-CG2 4.49Å; I135-L220 HydrophobicContact CD1-CB 3.82Å; I135-L220 HydrophobicContact CD1-CD1 4.17Å; I135-L220 HydrophobicContact CD1-CG 4.46Å; I135-L220 HydrophobicContact CG1-CB 4.24Å; I135-L220 HydrophobicContact CG1-CD1 3.7Å; I135-L220 HydrophobicContact CG1-CG 4.35Å; I135-L223 HydrophobicContact CD1-CD1 3.8Å; I135-L223 HydrophobicContact CG1-CD1 4.23Å; I135-F312 HydrophobicContact CB-CE1 4.49Å; I135-F312 HydrophobicContact CB-CZ 4.39Å; I135-F312 HydrophobicContact CG2-CE1 4.33Å; I135-F312 HydrophobicContact CG2-CZ 3.76Å
136L98.9Very high97.9Very high33 Ų3321.5 Ų21.517%0.17312%0.116CC..Hα-helixtrans-57.8-51.7176.6178.161.2000111.2K132 A133 T138 L139 Q140 L307 F312 P318K132-L136 WeakPolarHBondContact O-CB 3.17Å; K132-L136 PolarHBondContact O-N 3.33Å; A133-L136 PolarHBondContact O-N 3.49Å; L136-T138 VanDerWaalsContact C-N 3.32Å; L136-T138 PolarHBondContact O-N 3.42Å; L136-L139 PolarHBondContact O-N 3.34Å; L136-Q140 HydrophobicContact CD1-CG 4.31Å; L136-Q140 WeakPolarHBondContact O-CB 3.18Å; L136-Q140 VanDerWaalsContact O-CG 3.27Å; L136-Q140 WeakPolarHBondContact O-CG 3.36Å; L136-Q140 PolarHBondContact O-N 3.42Å; L136-L307 HydrophobicContact CD1-CD2 3.53Å; L136-F312 HydrophobicContact CB-CD1 3.98Å; L136-F312 HydrophobicContact CB-CE1 3.84Å; L136-F312 HydrophobicContact CD1-CD1 3.86Å; L136-F312 HydrophobicContact CD1-CE1 4.3Å; L136-F312 HydrophobicContact CD1-CG 4.32Å; L136-F312 HydrophobicContact CG-CD1 4.41Å; L136-P318 HydrophobicContact CD2-CB 4.06Å; L136-P318 HydrophobicContact CD2-CG 3.76Å
137M98.8Very high97.9Very high23 Ų2325.6 Ų25.611%0.11313%0.134CC..Hα-helixtrans-62.8-38.2178.1-72.8-172.6-73.200112.5N90 A133 Y134 I135 Q140 G141 L168 L324N90-M137 VanDerWaalsContact CB-O 3.28Å; N90-M137 WeakPolarHBondContact CB-O 3.49Å; N90-M137 WeakPolarHBondContact ND2-CB 3.18Å; N90-M137 WeakPolarHBondContact ND2-CG 3.38Å; A133-M137 WeakPolarHBondContact O-CE 3.38Å; A133-M137 WeakPolarHBondContact O-CG 3.45Å; A133-M137 PolarHBondContact O-N 2.69Å; Y134-M137 HydrophobicContact CD1-CE 4.24Å; I135-M137 PolarHBondContact O-N 2.99Å; M137-Q140 PolarHBondContact O-N 2.78Å; M137-G141 PolarHBondContact O-N 3.49Å; M137-L168 HydrophobicContact CB-CB 3.88Å; M137-L168 HydrophobicContact CB-CD2 4.25Å; M137-L168 HydrophobicContact CE-CB 3.61Å; M137-L168 HydrophobicContact CG-CB 4.49Å; M137-L168 HydrophobicContact SD-CB 3.82Å; M137-L168 PolarHBondContact SD-N 2.77Å; M137-L324 HydrophobicContact CE-CD1 3.82Å
138T98.9Very high97.7Very high0 Ų027.6 Ų27.60%014%0.139CC..Hα-helixtrans-62.3-48.8176.5-58.30000110.9Y134 I135 L136 G141 L142 L160 L170 V216Y134-T138 WeakPolarHBondContact O-CB 3.4Å; Y134-T138 PolarHBondContact O-N 2.82Å; Y134-T138 PolarHBondContact O-OG1 2.87Å; I135-T138 PolarHBondContact O-N 3.37Å; L136-T138 VanDerWaalsContact C-N 3.32Å; L136-T138 PolarHBondContact O-N 3.42Å; T138-G141 PolarHBondContact O-N 2.86Å; T138-L142 HydrophobicContact CG2-CD1 4.18Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.28Å; T138-L160 HydrophobicContact CG2-CD1 4.29Å; T138-L160 HydrophobicContact CG2-CD2 4.2Å; T138-L170 HydrophobicContact CG2-CD2 4.13Å; T138-V216 HydrophobicContact CG2-CG2 4.05Å
139L98.9Very high97.3Very high0 Ų032.3 Ų32.30%015%0.147CC..Hα-helixtrans-66.4-37.6179.4-72.4174.3000112.4I135 L136 L142 E143 M213 V216 A303 A306 L307 F312I135-L139 HydrophobicContact CG2-CD1 3.76Å; I135-L139 HydrophobicContact CG2-CG 4.06Å; I135-L139 WeakPolarHBondContact O-CB 3.44Å; I135-L139 WeakPolarHBondContact O-CG 3.31Å; I135-L139 PolarHBondContact O-N 3.4Å; L136-L139 PolarHBondContact O-N 3.34Å; L139-L142 PolarHBondContact O-N 3.18Å; L139-E143 VanDerWaalsContact O-CB 3.31Å; L139-E143 WeakPolarHBondContact O-CB 3.42Å; L139-E143 PolarHBondContact O-N 3.38Å; L139-M213 HydrophobicContact CD2-CE 3.6Å; L139-V216 HydrophobicContact CD2-CG1 4.09Å; L139-A303 HydrophobicContact CD2-CB 4.4Å; L139-A306 HydrophobicContact CD1-CB 3.78Å; L139-A306 HydrophobicContact CD2-CB 4.06Å; L139-L307 HydrophobicContact CB-CD1 4.33Å; L139-L307 HydrophobicContact CB-CD2 3.66Å; L139-L307 HydrophobicContact CB-CG 3.87Å; L139-L307 HydrophobicContact CD1-CD2 4.31Å; L139-L307 HydrophobicContact CD1-CG 4.49Å; L139-F312 HydrophobicContact CD1-CE1 4.49Å; L139-F312 HydrophobicContact CD1-CE2 3.53Å; L139-F312 HydrophobicContact CD1-CZ 3.44Å; L139-F312 VanDerWaalsContact CD1-CZ 3.44Å
140Q98.8Very high96.8Very high70 Ų7031.8 Ų31.833%0.32714%0.143SC..Hα-helixtrans-62.7-44.1174.8-74.5172.8-31.800111.6L136 M137 F144 L307L136-Q140 HydrophobicContact CD1-CG 4.31Å; L136-Q140 WeakPolarHBondContact O-CB 3.18Å; L136-Q140 VanDerWaalsContact O-CG 3.27Å; L136-Q140 WeakPolarHBondContact O-CG 3.36Å; L136-Q140 PolarHBondContact O-N 3.42Å; M137-Q140 PolarHBondContact O-N 2.78Å; Q140-F144 PolarHBondContact O-N 3.31Å; Q140-L307 HydrophobicContact CG-CD1 4.4Å; Q140-L307 HydrophobicContact CG-CD2 4.02Å
141G98.3Very high96.3Very high0 Ų030.7 Ų30.70%014%0.138CC..Hα-helixtrans-60-44.8173.100000112.4M137 T138 F144 M145M137-G141 PolarHBondContact O-N 3.49Å; T138-G141 PolarHBondContact O-N 2.86Å; G141-F144 PolarHBondContact O-N 3.27Å; G141-M145 WeakPolarHBondContact O-CG 3.22Å; G141-M145 PolarHBondContact O-N 2.84Å; G141-M145 VanDerWaalsContact O-N 3.07Å
142L97.9Very high95.9Very high0 Ų030.3 Ų30.30%014%0.135CC..Hα-helixtrans-70.7-38.9-179.6-72.5172.5000113.5T138 L139 F144 M145 H146 H152 L155 L170 D212 V216 A303T138-L142 HydrophobicContact CG2-CD1 4.18Å; T138-L142 WeakPolarHBondContact O-CG 3.4Å; T138-L142 PolarHBondContact O-N 3.28Å; L139-L142 PolarHBondContact O-N 3.18Å; L142-F144 VanDerWaalsContact C-N 3.28Å; L142-F144 PolarHBondContact O-N 3Å; L142-M145 HydrophobicContact CD2-SD 4.28Å; L142-M145 PolarHBondContact O-N 2.84Å; L142-H146 WeakPolarHBondContact O-CB 3.31Å; L142-H146 PolarHBondContact O-CD2 2.99Å; L142-H146 PolarHBondContact O-N 3.39Å; L142-H152 HydrophobicContact CD2-CB 4.11Å; L142-L155 HydrophobicContact CD1-CD1 3.53Å; L142-L155 HydrophobicContact CD2-CD1 3.79Å; L142-L155 HydrophobicContact CD2-CD2 4.37Å; L142-L155 HydrophobicContact CD2-CG 4.47Å; L142-L155 HydrophobicContact CG-CD1 4.22Å; L142-L170 HydrophobicContact CD2-CD1 3.76Å; L142-L170 HydrophobicContact CG-CD1 3.83Å; L142-D212 HydrophobicContact CD1-CB 4.47Å; L142-D212 HydrophobicContact CD2-CB 4.26Å; L142-V216 HydrophobicContact CD1-CG2 3.33Å; L142-A303 HydrophobicContact CB-CB 4.29Å
143E98.6Very high95.4Very high46 Ų4632.5 Ų32.522%0.21514%0.144CC..Hα-helixtrans-55.6-48.3173.8173173.1-124.400110.2L139 M145 H146 Q147 A303 T304 L307L139-E143 VanDerWaalsContact O-CB 3.31Å; L139-E143 WeakPolarHBondContact O-CB 3.42Å; L139-E143 PolarHBondContact O-N 3.38Å; E143-M145 PolarHBondContact O-N 3.29Å; E143-H146 PolarHBondContact O-N 3.33Å; E143-Q147 HydrophobicContact CG-CG 4.46Å; E143-Q147 VanDerWaalsContact CG-NE2 3.28Å; E143-Q147 WeakPolarHBondContact O-CB 3.13Å; E143-Q147 VanDerWaalsContact O-CG 3.26Å; E143-Q147 WeakPolarHBondContact O-CG 3.45Å; E143-Q147 PolarHBondContact O-N 2.93Å; E143-A303 HydrophobicContact CB-CB 3.89Å; E143-T304 VanDerWaalsContact OE1-CA 3.32Å; E143-T304 WeakPolarHBondContact OE1-CA 3.42Å; E143-T304 VanDerWaalsContact OE1-CB 3.24Å; E143-T304 WeakPolarHBondContact OE1-CB 3.49Å; E143-T304 WeakPolarHBondContact OE1-CG2 3.1Å; E143-T304 PolarHBondContact OE1-OG1 3.34Å; E143-L307 HydrophobicContact CB-CD1 3.91Å; E143-L307 HydrophobicContact CG-CD1 4.36Å; E143-L307 WeakPolarHBondContact OE2-CD1 3.38Å
144F97.6Very high94.8Very high38 Ų3833.4 Ų33.417%0.16715%0.148CC..Hα-helixtrans-59.1-47.9176.2-177.9-88.4000111.6L86 H87 H88 I91 Q140 G141 L142 H146 Q147 H148L86-F144 HydrophobicContact CB-CE1 4.31Å; L86-F144 HydrophobicContact CD2-CD1 4.26Å; L86-F144 HydrophobicContact CD2-CE1 3.73Å; H87-F144 WeakPolarHBondContact O-CZ 3.48Å; H88-F144 HydrophobicContact CB-CB 4.42Å; H88-F144 HydrophobicContact CB-CD1 3.87Å; H88-F144 HydrophobicContact CB-CD2 4.21Å; H88-F144 HydrophobicContact CB-CE1 4.11Å; H88-F144 HydrophobicContact CB-CE2 4.44Å; H88-F144 HydrophobicContact CB-CG 3.9Å; H88-F144 HydrophobicContact CB-CZ 4.38Å; H88-F144 AromaticContact CD2-CD2 3.67Å; H88-F144 AromaticContact CD2-CG 3.77Å; H88-F144 AromaticContact CG-CG 3.9Å; I91-F144 HydrophobicContact CD1-CB 4.4Å; I91-F144 HydrophobicContact CD1-CD1 3.4Å; I91-F144 VanDerWaalsContact CD1-CD1 3.4Å; I91-F144 HydrophobicContact CD1-CE1 4.04Å; I91-F144 HydrophobicContact CD1-CG 4.25Å; Q140-F144 PolarHBondContact O-N 3.31Å; G141-F144 PolarHBondContact O-N 3.27Å; L142-F144 VanDerWaalsContact C-N 3.28Å; L142-F144 PolarHBondContact O-N 3Å; F144-H146 PolarHBondContact O-N 2.79Å; F144-Q147 PolarHBondContact O-N 2.86Å; F144-H148 AromaticContact CD1-ND1 3.83Å; F144-H148 AromaticContact CD2-CE1 3.72Å; F144-H148 AromaticContact CE1-CE1 3.77Å; F144-H148 AromaticContact CE1-ND1 3.72Å; F144-H148 AromaticContact CE2-CE1 3.27Å; F144-H148 WeakPolarHBondContact CE2-CE1 3.45Å; F144-H148 AromaticContact CE2-ND1 3.91Å; F144-H148 AromaticContact CZ-CE1 3.3Å; F144-H148 WeakPolarHBondContact CZ-CE1 3.4Å; F144-H148 AromaticContact CZ-ND1 3.76Å; F144-H148 AromaticContact CZ-NE2 3.78Å; F144-H148 PolarHBondContact O-N 3.21Å; F144-H148 VanDerWaalsContact O-N 3.16Å; F144-H148 PolarHBondContact O-ND1 3.35Å
145M94.1Very high94.5Very high0 Ų033.6 Ų33.60%015%0.149CC..Hα-helixtrans-59.6-45.1178.1-70-179.16900112.3I91 G141 L142 E143 H148 W149 V150 H152 L170 F173I91-M145 HydrophobicContact CD1-CG 3.56Å; I91-M145 HydrophobicContact CD1-SD 4.4Å; I91-M145 HydrophobicContact CG1-CG 4.42Å; G141-M145 WeakPolarHBondContact O-CG 3.22Å; G141-M145 PolarHBondContact O-N 2.84Å; G141-M145 VanDerWaalsContact O-N 3.07Å; L142-M145 HydrophobicContact CD2-SD 4.28Å; L142-M145 PolarHBondContact O-N 2.84Å; E143-M145 PolarHBondContact O-N 3.29Å; M145-H148 CarbonylContact O-C 3.51Å; M145-H148 WeakPolarHBondContact O-CA 3.47Å; M145-H148 PolarHBondContact O-N 3.09Å; M145-H148 VanDerWaalsContact O-N 3.1Å; M145-W149 PolarHBondContact O-N 2.91Å; M145-V150 CarbonylContact C-O 3.35Å; M145-V150 HydrophobicContact CB-CB 4.39Å; M145-V150 HydrophobicContact CE-CB 4.38Å; M145-V150 HydrophobicContact CE-CG1 3.65Å; M145-V150 PolarHBondContact O-N 2.79Å; M145-H152 HydrophobicContact CE-CB 3.95Å; M145-H152 HydrophobicContact SD-CB 4.47Å; M145-L170 HydrophobicContact SD-CD1 3.67Å; M145-F173 HydrophobicContact CE-CD1 3.75Å; M145-F173 HydrophobicContact CE-CE1 3.58Å; M145-F173 HydrophobicContact SD-CE1 3.86Å
146H95.3Very high94.2Very high27 Ų2734.6 Ų34.613%0.12515%0.153CC..Hα-helixtrans-66.7-37.6-178.2-66.9175.4000111.7L142 E143 F144 H148 W149 V150 V209 D212L142-H146 WeakPolarHBondContact O-CB 3.31Å; L142-H146 PolarHBondContact O-CD2 2.99Å; L142-H146 PolarHBondContact O-N 3.39Å; E143-H146 PolarHBondContact O-N 3.33Å; F144-H146 PolarHBondContact O-N 2.79Å; H146-H148 PolarHBondContact O-N 3.07Å; H146-W149 PolarHBondContact O-N 2.86Å; H146-V150 PolarHBondContact CD2-O 3.34Å; H146-V209 HydrophobicContact CB-CG1 3.9Å; H146-V209 VanDerWaalsContact CG-CG1 3.5Å; H146-V209 WeakPolarHBondContact ND1-CG1 3.48Å; H146-D212 IonicContact CD2-OD2 3.34Å; H146-D212 IonicContact CE1-OD2 2.69Å; H146-D212 IonicContact NE2-OD2 3.56Å; H146-D212 PolarHBondContact NE2-OD2 3.47Å
147Q95.4Very high94.1Very high112 Ų11233.1 Ų33.152%0.52315%0.146SC..Hα-helixtrans-64.1-28.9172.2-72.4173.68.300112.7E143 F144 W149E143-Q147 HydrophobicContact CG-CG 4.46Å; E143-Q147 VanDerWaalsContact CG-NE2 3.28Å; E143-Q147 WeakPolarHBondContact O-CB 3.13Å; E143-Q147 VanDerWaalsContact O-CG 3.26Å; E143-Q147 WeakPolarHBondContact O-CG 3.45Å; E143-Q147 PolarHBondContact O-N 2.93Å; F144-Q147 PolarHBondContact O-N 2.86Å; Q147-W149 VanDerWaalsContact C-N 3.3Å
148H92.2Very high93.7Very high93 Ų9334.5 Ų34.543%0.43115%0.153SC..THydrogen-bonded Turntrans-91.114.3174-66.978.7000113.1L86 F144 M145 H146 V150L86-H148 HydrophobicContact CD2-CB 3.94Å; F144-H148 AromaticContact CD1-ND1 3.83Å; F144-H148 AromaticContact CD2-CE1 3.72Å; F144-H148 AromaticContact CE1-CE1 3.77Å; F144-H148 AromaticContact CE1-ND1 3.72Å; F144-H148 AromaticContact CE2-CE1 3.27Å; F144-H148 WeakPolarHBondContact CE2-CE1 3.45Å; F144-H148 AromaticContact CE2-ND1 3.91Å; F144-H148 AromaticContact CZ-CE1 3.3Å; F144-H148 WeakPolarHBondContact CZ-CE1 3.4Å; F144-H148 AromaticContact CZ-ND1 3.76Å; F144-H148 AromaticContact CZ-NE2 3.78Å; F144-H148 PolarHBondContact O-N 3.21Å; F144-H148 VanDerWaalsContact O-N 3.16Å; F144-H148 PolarHBondContact O-ND1 3.35Å; M145-H148 CarbonylContact O-C 3.51Å; M145-H148 WeakPolarHBondContact O-CA 3.47Å; M145-H148 PolarHBondContact O-N 3.09Å; M145-H148 VanDerWaalsContact O-N 3.1Å; H146-H148 PolarHBondContact O-N 3.07Å; H148-V150 PolarHBondContact O-N 3.04Å
149W89.1Confident93.4Very high180 Ų18035 Ų3568%0.68216%0.156SC*.THydrogen-bonded Turntrans60.527.8177.6-53.690.3000114.4M145 H146 Q147 A178 F179M145-W149 PolarHBondContact O-N 2.91Å; H146-W149 PolarHBondContact O-N 2.86Å; Q147-W149 VanDerWaalsContact C-N 3.3Å; W149-A178 WeakPolarHBondContact O-CA 3.26Å; W149-F179 HydrophobicContact CE3-CB 4.46Å; W149-F179 PolarHBondContact O-N 3.37Å
150V87.7Confident93.3Very high4 Ų435 Ų352%0.02416%0.156CC..EExtended strand (participates in β ladder)trans-108127.6177.5-176.20000109.7L82 L86 M145 H146 H148 A176L82-V150 HydrophobicContact CD2-CG2 4.29Å; L86-V150 HydrophobicContact CD1-CG1 4.39Å; L86-V150 HydrophobicContact CD1-CG2 4.36Å; L86-V150 HydrophobicContact CD2-CG2 4.4Å; M145-V150 CarbonylContact C-O 3.35Å; M145-V150 HydrophobicContact CB-CB 4.39Å; M145-V150 HydrophobicContact CE-CB 4.38Å; M145-V150 HydrophobicContact CE-CG1 3.65Å; M145-V150 PolarHBondContact O-N 2.79Å; H146-V150 PolarHBondContact CD2-O 3.34Å; H148-V150 PolarHBondContact O-N 3.04Å; V150-A176 HydrophobicContact CG1-CB 4.14Å
151L88.1Confident93.2Very high4 Ų433.6 Ų33.62%0.02115%0.151CC..EExtended strand (participates in β ladder)trans-100.2139.3170-61.9178.1000110.1R153 A176 K177 Y207 V209L151-R153 HydrophobicContact CB-CG 3.85Å; L151-A176 VanDerWaalsContact O-CA 3.23Å; L151-A176 WeakPolarHBondContact O-CA 3.43Å; L151-A176 WeakPolarHBondContact O-CB 3.15Å; L151-K177 PolarHBondContact N-O 2.73Å; L151-Y207 HydrophobicContact CD1-CD2 4.25Å; L151-V209 HydrophobicContact CD2-CB 4.35Å; L151-V209 HydrophobicContact CD2-CG1 3.91Å
152H90.1Very high93.1Very high0 Ų033.9 Ų33.90%015%0.152CC..  trans-75.6-48.6179.6-169.7-74.8000112.2L142 M145 D154 L155 A171 D212L142-H152 HydrophobicContact CD2-CB 4.11Å; M145-H152 HydrophobicContact CE-CB 3.95Å; M145-H152 HydrophobicContact SD-CB 4.47Å; H152-D154 PolarHBondContact CE1-O 2.95Å; H152-D154 VanDerWaalsContact ND1-C 3.33Å; H152-D154 PolarHBondContact ND1-N 3.34Å; H152-D154 PolarHBondContact O-N 3.36Å; H152-L155 HydrophobicContact CB-CD1 4.46Å; H152-L155 HydrophobicContact CB-CD2 4.29Å; H152-L155 HydrophobicContact CB-CG 3.96Å; H152-L155 PolarHBondContact ND1-N 3.38Å; H152-A171 PolarHBondContact CE1-O 2.83Å; H152-A171 PolarHBondContact NE2-O 3.35Å; H152-D212 PolarHBondContact N-OD1 3.12Å; H152-D212 PolarHBondContact N-OD2 2.86Å
153R87.4Confident93Very high48 Ų4835.3 Ų35.318%0.18116%0.16CC..  trans67.9-14.6174.3-58.3163.7170.3-138.2-8.4117.5L151 L175 K177 Y207 D212L151-R153 HydrophobicContact CB-CG 3.85Å; R153-L175 WeakPolarHBondContact CD-O 3.3Å; R153-K177 VanDerWaalsContact CZ-CB 3.42Å; R153-Y207 VanDerWaalsContact CZ-OH 3.28Å; R153-Y207 PolarHBondContact NH1-OH 3.16Å; R153-Y207 PolarHBondContact NH2-OH 3.46Å; R153-D212 PolarHBondContact N-OD1 2.65Å
154D86.2Confident92.6Very high23 Ų2334.1 Ų34.112%0.12316%0.16CC..  trans-129.245.5175.5-166.531.5000111.5H152 K156 N159 L175H152-D154 PolarHBondContact CE1-O 2.95Å; H152-D154 VanDerWaalsContact ND1-C 3.33Å; H152-D154 PolarHBondContact ND1-N 3.34Å; H152-D154 PolarHBondContact O-N 3.36Å; D154-K156 PolarHBondContact O-N 3Å; D154-K156 IonicContact OD1-NZ 2.94Å; D154-K156 PolarHBondContact OD1-NZ 2.99Å; D154-K156 IonicContact OD2-NZ 3.93Å; D154-K156 PolarHBondContact OD2-NZ 3.08Å; D154-N159 PolarHBondContact O-ND2 2.88Å; D154-N159 PolarHBondContact OD2-ND2 2.8Å; D154-L175 HydrophobicContact CB-CB 4.47Å; D154-L175 HydrophobicContact CB-CD1 3.77Å
155L92.6Very high92.5Very high4 Ų437.6 Ų37.62%0.02118%0.18CC..  trans-72.4128.8175.1-77.9173.1000110.4L142 H152 L160 L170 Y195 D212 A215 V216 I219L142-L155 HydrophobicContact CD1-CD1 3.53Å; L142-L155 HydrophobicContact CD2-CD1 3.79Å; L142-L155 HydrophobicContact CD2-CD2 4.37Å; L142-L155 HydrophobicContact CD2-CG 4.47Å; L142-L155 HydrophobicContact CG-CD1 4.22Å; H152-L155 HydrophobicContact CB-CD1 4.46Å; H152-L155 HydrophobicContact CB-CD2 4.29Å; H152-L155 HydrophobicContact CB-CG 3.96Å; H152-L155 PolarHBondContact ND1-N 3.38Å; L155-L160 HydrophobicContact CD2-CD2 4.08Å; L155-L170 HydrophobicContact CD2-CD2 4.16Å; L155-Y195 WeakPolarHBondContact O-CB 3.49Å; L155-D212 HydrophobicContact CD1-CB 3.75Å; L155-D212 WeakPolarHBondContact CD1-O 3.44Å; L155-A215 HydrophobicContact CB-CB 3.61Å; L155-A215 HydrophobicContact CD1-CB 4.35Å; L155-V216 HydrophobicContact CD1-CG2 4.07Å; L155-I219 HydrophobicContact CB-CD1 4.22Å
156K93.3Very high92.6Very high22 Ų2237.8 Ų37.810%0.09618%0.182CC..  trans-165.7160.3176.444.6172.7-175-120.30108.3D154 N158 N159 Y195D154-K156 PolarHBondContact O-N 3Å; D154-K156 IonicContact OD1-NZ 2.94Å; D154-K156 PolarHBondContact OD1-NZ 2.99Å; D154-K156 IonicContact OD2-NZ 3.93Å; D154-K156 PolarHBondContact OD2-NZ 3.08Å; K156-N158 VanDerWaalsContact C-N 3.28Å; K156-N158 WeakPolarHBondContact CD-OD1 3.39Å; K156-N158 WeakPolarHBondContact CE-OD1 3.26Å; K156-N158 WeakPolarHBondContact CG-OD1 3.4Å; K156-N158 PolarHBondContact O-N 3.01Å; K156-N158 VanDerWaalsContact O-N 3.16Å; K156-N159 WeakPolarHBondContact CE-ND2 3.4Å; K156-N159 HydrophobicContact CG-CB 4.28Å; K156-N159 PolarHBondContact O-N 2.84Å; K156-Y195 HydrophobicContact CB-CD2 3.52Å; K156-Y195 HydrophobicContact CB-CE2 3.5Å; K156-Y195 VanDerWaalsContact CB-CE2 3.5Å; K156-Y195 HydrophobicContact CB-CG 4.09Å
157P95.8Very high92.7Very high2 Ų238.6 Ų38.61%0.01319%0.189CC..G310 helixtrans-56-35.6-172.2-28.836.4000115.1L115 E116 I119 N159 L160 Y195 I219 E222L115-P157 HydrophobicContact CB-CB 4.13Å; L115-P157 WeakPolarHBondContact CB-O 3.28Å; L115-P157 PolarHBondContact N-O 2.76Å; E116-P157 HydrophobicContact CB-CB 3.87Å; I119-P157 HydrophobicContact CD1-CB 3.82Å; I119-P157 HydrophobicContact CD1-CG 3.8Å; P157-N159 PolarHBondContact O-N 3.32Å; P157-L160 PolarHBondContact O-N 2.84Å; P157-L160 VanDerWaalsContact O-N 3.08Å; P157-Y195 WeakPolarHBondContact CD-OH 3.4Å; P157-Y195 HydrophobicContact CG-CE1 4.18Å; P157-I219 HydrophobicContact CG-CG1 4.26Å; P157-E222 WeakPolarHBondContact CG-OE2 3.33Å
158N91.4Very high92.8Very high51 Ų5133.2 Ų33.227%0.27316%0.164SC..G310 helixtrans-72.8-13.1178.663.82.5000114.8E116 K156 L161E116-N158 HydrophobicContact CB-CB 4.06Å; E116-N158 WeakPolarHBondContact OE2-CB 3.43Å; K156-N158 VanDerWaalsContact C-N 3.28Å; K156-N158 WeakPolarHBondContact CD-OD1 3.39Å; K156-N158 WeakPolarHBondContact CE-OD1 3.26Å; K156-N158 WeakPolarHBondContact CG-OD1 3.4Å; K156-N158 PolarHBondContact O-N 3.01Å; K156-N158 VanDerWaalsContact O-N 3.16Å; N158-L161 WeakPolarHBondContact O-CD2 3.42Å
159N93.5Very high93.1Very high11 Ų1130.1 Ų30.16%0.05915%0.149CC..G310 helixtrans-93.81.1172.2-75.5-8.6000112.1D154 K156 P157 A171D154-N159 PolarHBondContact O-ND2 2.88Å; D154-N159 PolarHBondContact OD2-ND2 2.8Å; K156-N159 WeakPolarHBondContact CE-ND2 3.4Å; K156-N159 HydrophobicContact CG-CB 4.28Å; K156-N159 PolarHBondContact O-N 2.84Å; P157-N159 PolarHBondContact O-N 3.32Å; N159-A171 PolarHBondContact O-N 3.42Å
160L96.8Very high93.4Very high0 Ų021.6 Ų21.60%012%0.117CC..EExtended strand (participates in β ladder)trans-104.293173-56.5-175.5000108.6D114 L115 T138 L155 P157 L168 L170 I219D114-L160 CarbonylContact C-O 3.34Å; D114-L160 WeakPolarHBondContact CA-O 3.5Å; L115-L160 HydrophobicContact CB-CB 3.92Å; L115-L160 HydrophobicContact CD2-CB 4.38Å; L115-L160 HydrophobicContact CD2-CD1 3.6Å; L115-L160 PolarHBondContact N-O 3.42Å; T138-L160 HydrophobicContact CG2-CD1 4.29Å; T138-L160 HydrophobicContact CG2-CD2 4.2Å; L155-L160 HydrophobicContact CD2-CD2 4.08Å; P157-L160 PolarHBondContact O-N 2.84Å; P157-L160 VanDerWaalsContact O-N 3.08Å; L160-L168 HydrophobicContact CB-CD1 4.14Å; L160-L168 HydrophobicContact CB-CD2 4.37Å; L160-L168 HydrophobicContact CB-CG 4.28Å; L160-L168 HydrophobicContact CD2-CD2 4.3Å; L160-L170 HydrophobicContact CD2-CD2 3.18Å; L160-I219 HydrophobicContact CD1-CD1 3.92Å; L160-I219 HydrophobicContact CD1-CG2 3.92Å
161L96.3Very high93.5Very high40 Ų4021.7 Ų21.721%0.20912%0.118CC..EExtended strand (participates in β ladder)trans-88.4148.9-172.9-54-176.1000111.3M111 D114 N158 L168 K169 A171M111-L161 HydrophobicContact CB-CB 3.74Å; M111-L161 HydrophobicContact CB-CD1 4.15Å; M111-L161 HydrophobicContact CB-CG 4.49Å; M111-L161 HydrophobicContact CE-CB 3.8Å; M111-L161 WeakPolarHBondContact CE-O 3.45Å; M111-L161 HydrophobicContact CG-CB 3.65Å; M111-L161 HydrophobicContact CG-CD1 3.76Å; M111-L161 HydrophobicContact CG-CG 4.36Å; D114-L161 HydrophobicContact CB-CD2 3.76Å; N158-L161 WeakPolarHBondContact O-CD2 3.42Å; L161-L168 CarbonylContact O-C 3.57Å; L161-L168 VanDerWaalsContact O-CA 3.26Å; L161-L168 WeakPolarHBondContact O-CA 3.32Å; L161-K169 PolarHBondContact N-O 3.13Å; L161-K169 PolarHBondContact O-N 3.09Å; L161-A171 HydrophobicContact CD1-CB 3.41Å; L161-A171 VanDerWaalsContact CD1-CB 3.41Å; L161-A171 HydrophobicContact CG-CB 3.63Å
162L96.4Very high92.9Very high6 Ų624.4 Ų24.43%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-124.4132.7177.7-68.395.3000111.8M111 E112 T113 L115 I118 Y134 L168M111-L162 CarbonylContact C-O 3.41Å; E112-L162 PolarHBondContact N-O 3.43Å; T113-L162 HydrophobicContact CG2-CB 4.06Å; T113-L162 PolarHBondContact N-O 3Å; T113-L162 PolarHBondContact O-N 2.75Å; L115-L162 HydrophobicContact CB-CD1 4.35Å; L115-L162 HydrophobicContact CD1-CD1 4.36Å; I118-L162 HydrophobicContact CD1-CD1 3.79Å; I118-L162 HydrophobicContact CD1-CD2 3.9Å; I118-L162 HydrophobicContact CD1-CG 4.38Å; Y134-L162 HydrophobicContact CD1-CD2 4.04Å; Y134-L162 HydrophobicContact CE1-CD2 3.45Å; Y134-L162 VanDerWaalsContact CE1-CD2 3.45Å; L162-L168 HydrophobicContact CG-CB 4.32Å
163D94.6Very high91.7Very high31 Ų3125 Ų2517%0.16614%0.135CC..  trans-86.8175.9175.775.55.4000111.8M111 N165 G166 V167M111-D163 HydrophobicContact CE-CB 3.84Å; M111-D163 VanDerWaalsContact CE-N 3.25Å; M111-D163 HydrophobicContact SD-CB 3.94Å; D163-N165 PolarHBondContact O-N 3.18Å; D163-N165 WeakPolarHBondContact OD1-CA 3.41Å; D163-N165 WeakPolarHBondContact OD1-CB 3.26Å; D163-N165 PolarHBondContact OD1-N 3.1Å; D163-G166 PolarHBondContact O-N 2.68Å; D163-G166 PolarHBondContact OD1-N 2.83Å; D163-V167 PolarHBondContact N-O 3.24Å; D163-V167 PolarHBondContact OD1-N 2.72Å
164G91.7Very high90.1Very high21 Ų2124.3 Ų24.322%0.21614%0.143CC..THydrogen-bonded Turntrans-68.42.8177.200000115.5E112 R326E112-G164 WeakPolarHBondContact OE1-CA 3.32Å; E112-G164 WeakPolarHBondContact OE2-CA 3.15Å; G164-R326 PolarHBondContact O-NH1 3.07Å; G164-R326 PolarHBondContact O-NH2 2.83Å
165N94.3Very high88.3Confident111 Ų11125.2 Ų25.259%0.59415%0.148SC*.THydrogen-bonded Turntrans-110.23170.8-63.1-51.8000112.1D163 V167 G321 A322D163-N165 PolarHBondContact O-N 3.18Å; D163-N165 WeakPolarHBondContact OD1-CA 3.41Å; D163-N165 WeakPolarHBondContact OD1-CB 3.26Å; D163-N165 PolarHBondContact OD1-N 3.1Å; N165-V167 VanDerWaalsContact C-N 3.32Å; N165-V167 HydrophobicContact CB-CG2 4.34Å; N165-G321 CarbonylContact O-C 3.54Å; N165-G321 WeakPolarHBondContact O-CA 3.16Å; N165-A322 PolarHBondContact O-N 2.81Å
166G95.7Very high86.1Confident4 Ų425.6 Ų25.64%0.04115%0.151CC..  trans73.322-176.300000113.6D163 L324D163-G166 PolarHBondContact O-N 2.68Å; D163-G166 PolarHBondContact OD1-N 2.83Å; G166-L324 WeakPolarHBondContact O-CD1 3.23Å
167V97.8Very high84Confident43 Ų4326.1 Ų26.126%0.26115%0.154SC..  trans-83.1119.4172.3-177.40000108.8D163 N165 K169D163-V167 PolarHBondContact N-O 3.24Å; D163-V167 PolarHBondContact OD1-N 2.72Å; N165-V167 VanDerWaalsContact C-N 3.32Å; N165-V167 HydrophobicContact CB-CG2 4.34Å; V167-K169 HydrophobicContact CG1-CG 4.5Å
168L98.3Very high81.3Confident0 Ų027 Ų270%016%0.161CC..EExtended strand (participates in β ladder)trans-81.5131.6175.3-177.2155.6000110.3N90 Y134 M137 L160 L161 L162 L170N90-L168 VanDerWaalsContact CA-O 3.25Å; N90-L168 WeakPolarHBondContact CA-O 3.23Å; N90-L168 WeakPolarHBondContact CB-O 3.49Å; N90-L168 PolarHBondContact ND2-O 2.94Å; Y134-L168 HydrophobicContact CD1-CD1 4.12Å; M137-L168 HydrophobicContact CB-CB 3.88Å; M137-L168 HydrophobicContact CB-CD2 4.25Å; M137-L168 HydrophobicContact CE-CB 3.61Å; M137-L168 HydrophobicContact CG-CB 4.49Å; M137-L168 HydrophobicContact SD-CB 3.82Å; M137-L168 PolarHBondContact SD-N 2.77Å; L160-L168 HydrophobicContact CB-CD1 4.14Å; L160-L168 HydrophobicContact CB-CD2 4.37Å; L160-L168 HydrophobicContact CB-CG 4.28Å; L160-L168 HydrophobicContact CD2-CD2 4.3Å; L161-L168 CarbonylContact O-C 3.57Å; L161-L168 VanDerWaalsContact O-CA 3.26Å; L161-L168 WeakPolarHBondContact O-CA 3.32Å; L162-L168 HydrophobicContact CG-CB 4.32Å; L168-L170 HydrophobicContact CD2-CD2 4.29Å
169K97.8Very high78.7Confident28 Ų2830.6 Ų30.612%0.12218%0.175CC..EExtended strand (participates in β ladder)trans-126.9131.4176.2-65.2177.2177.3-71.30111.2P89 N90 I92 M111 L161 V167P89-K169 WeakPolarHBondContact O-CG 3.49Å; P89-K169 PolarHBondContact O-NZ 2.89Å; N90-K169 WeakPolarHBondContact O-CA 3.25Å; I92-K169 HydrophobicContact CB-CB 4.41Å; I92-K169 HydrophobicContact CD1-CD 3.95Å; M111-K169 HydrophobicContact CE-CB 3.94Å; M111-K169 HydrophobicContact CE-CD 3.78Å; M111-K169 HydrophobicContact CE-CG 3.96Å; M111-K169 HydrophobicContact SD-CD 3.95Å; L161-K169 PolarHBondContact N-O 3.13Å; L161-K169 PolarHBondContact O-N 3.09Å; V167-K169 HydrophobicContact CG1-CG 4.5Å
170L95.8Very high75.8Confident0 Ų033.1 Ų33.10%020%0.204CC..EExtended strand (participates in β ladder)trans-67.2132.4170.9-53.3-177.8000109.7N90 I92 T138 L142 M145 L155 L160 L168N90-L170 WeakPolarHBondContact O-CG 3.37Å; N90-L170 PolarHBondContact O-N 3.03Å; I92-L170 WeakPolarHBondContact CB-O 3.35Å; I92-L170 VanDerWaalsContact CG2-O 3.31Å; I92-L170 WeakPolarHBondContact CG2-O 3.24Å; I92-L170 PolarHBondContact N-O 3.03Å; T138-L170 HydrophobicContact CG2-CD2 4.13Å; L142-L170 HydrophobicContact CD2-CD1 3.76Å; L142-L170 HydrophobicContact CG-CD1 3.83Å; M145-L170 HydrophobicContact SD-CD1 3.67Å; L155-L170 HydrophobicContact CD2-CD2 4.16Å; L160-L170 HydrophobicContact CD2-CD2 3.18Å; L168-L170 HydrophobicContact CD2-CD2 4.29Å
171A89.7Confident72.5Confident7 Ų735.2 Ų35.26%0.05822%0.218CC..  trans-135.2170.6-177.400000113.2I92 H152 N159 L161I92-A171 HydrophobicContact CB-CB 4.28Å; I92-A171 HydrophobicContact CG2-CB 3.89Å; H152-A171 PolarHBondContact CE1-O 2.83Å; H152-A171 PolarHBondContact NE2-O 3.35Å; N159-A171 PolarHBondContact O-N 3.42Å; L161-A171 HydrophobicContact CD1-CB 3.41Å; L161-A171 VanDerWaalsContact CD1-CB 3.41Å; L161-A171 HydrophobicContact CG-CB 3.63Å
172D75.3Confident69.5Low61 Ų6138.7 Ų38.733%0.32624%0.243SC..  trans60.863.7179.7-145.2-8.1000115.4K58 G174K58-D172 IonicContact NZ-OD1 2.61Å; K58-D172 PolarHBondContact NZ-OD1 3.12Å; K58-D172 IonicContact NZ-OD2 3.14Å; K58-D172 PolarHBondContact NZ-OD2 3.39Å; K58-D172 VanDerWaalsContact NZ-OD2 3.08Å; D172-G174 PolarHBondContact O-N 3.25Å
173F65Low66.5Low12 Ų1245.2 Ų45.25%0.05328%0.278CS..  trans-69.415.4171.3-49.9-76.4000114.5L83 I91 I92 M145 L175 A176L83-F173 HydrophobicContact CD1-CD2 4.14Å; L83-F173 HydrophobicContact CD2-CD2 3.16Å; L83-F173 HydrophobicContact CD2-CE2 3.17Å; L83-F173 HydrophobicContact CD2-CG 4.28Å; L83-F173 HydrophobicContact CD2-CZ 4.33Å; L83-F173 HydrophobicContact CG-CD2 3.71Å; L83-F173 HydrophobicContact CG-CE2 4.21Å; I91-F173 HydrophobicContact CG2-CE1 4.38Å; I91-F173 HydrophobicContact CG2-CE2 4.29Å; I91-F173 HydrophobicContact CG2-CZ 3.58Å; I92-F173 HydrophobicContact CG2-CD2 4.47Å; I92-F173 HydrophobicContact CG2-CE2 3.55Å; I92-F173 HydrophobicContact CG2-CZ 4.2Å; M145-F173 HydrophobicContact CE-CD1 3.75Å; M145-F173 HydrophobicContact CE-CE1 3.58Å; M145-F173 HydrophobicContact SD-CE1 3.86Å; F173-L175 PolarHBondContact O-N 3.25Å; F173-A176 HydrophobicContact CB-CB 3.71Å; F173-A176 HydrophobicContact CD1-CB 4.19Å; F173-A176 HydrophobicContact CG-CB 4.43Å; F173-A176 WeakPolarHBondContact O-CB 3.06Å; F173-A176 PolarHBondContact O-N 3.11Å
174G53.2Low63.8Low33 Ų3350.3 Ų50.334%0.3430%0.295SS..THydrogen-bonded Turntrans-61.9-2.7-176.900000114.9D172D172-G174 PolarHBondContact O-N 3.25Å
175L48.6Very low61Low42 Ų4255.7 Ų55.722%0.2232%0.323CS..THydrogen-bonded Turntrans-127-0.4173.3-61.2175.2000113.1R153 D154 F173 Y186R153-L175 WeakPolarHBondContact CD-O 3.3Å; D154-L175 HydrophobicContact CB-CB 4.47Å; D154-L175 HydrophobicContact CB-CD1 3.77Å; F173-L175 PolarHBondContact O-N 3.25Å; L175-Y186 HydrophobicContact CD2-CD1 3.76Å; L175-Y186 HydrophobicContact CD2-CE1 3.1Å; L175-Y186 HydrophobicContact CD2-CE2 4.5Å
176A46.5Very low58.3Low12 Ų1254.7 Ų54.710%0.09931%0.312CS..  trans-69.7133.1-176.200000110.8V150 L151 F173V150-A176 HydrophobicContact CG1-CB 4.14Å; L151-A176 VanDerWaalsContact O-CA 3.23Å; L151-A176 WeakPolarHBondContact O-CA 3.43Å; L151-A176 WeakPolarHBondContact O-CB 3.15Å; F173-A176 HydrophobicContact CB-CB 3.71Å; F173-A176 HydrophobicContact CD1-CB 4.19Å; F173-A176 HydrophobicContact CG-CB 4.43Å; F173-A176 WeakPolarHBondContact O-CB 3.06Å; F173-A176 PolarHBondContact O-N 3.11Å
177K49.4Very low55.4Low33 Ų3360.4 Ų60.414%0.14335%0.346CS..EExtended strand (participates in β ladder)trans-132.7137.3-177.5-150.3-179.6-152.5176.30109.7L151 R153 S181L151-K177 PolarHBondContact N-O 2.73Å; R153-K177 VanDerWaalsContact CZ-CB 3.42Å; K177-S181 VanDerWaalsContact CE-CB 3.42Å; K177-S181 VanDerWaalsContact CE-O 3.27Å; K177-S181 WeakPolarHBondContact CE-O 3.48Å; K177-S181 PolarHBondContact NZ-O 3.15Å
178A39.6Very low52.4Low21 Ų2163 Ų6317%0.17436%0.355CS..EExtended strand (participates in β ladder)trans-60.8142.9161.800000109.6W149W149-A178 WeakPolarHBondContact O-CA 3.26Å
179F36.2Very low49.2Very low126 Ų12671.1 Ų71.155%0.55339%0.393SS*.THydrogen-bonded Turntrans-46.2141.6-179.8-156.4-96.8000112.9W149 S181W149-F179 HydrophobicContact CE3-CB 4.46Å; W149-F179 PolarHBondContact O-N 3.37Å; F179-S181 PolarHBondContact O-N 3.35Å
180G32Very low46.4Very low65 Ų6574.8 Ų74.867%0.6742%0.418SS*.THydrogen-bonded Turntrans79.210.5166.700000118.2P182G180-P182 WeakPolarHBondContact O-CD 3.48Å
181S29.4Very low44.7Very low44 Ų4476.9 Ų76.931%0.30843%0.43SS..  trans-88.3118179.2-170.50000111.3K177 F179K177-S181 VanDerWaalsContact CE-CB 3.42Å; K177-S181 VanDerWaalsContact CE-O 3.27Å; K177-S181 WeakPolarHBondContact CE-O 3.48Å; K177-S181 PolarHBondContact NZ-O 3.15Å; F179-S181 PolarHBondContact O-N 3.35Å
182P31.3Very low43.7Very low113 Ų11379.5 Ų79.573%0.73445%0.446SS*.  trans-82.4-17.9-158.1-16.331.6000117.5G180G180-P182 WeakPolarHBondContact O-CD 3.48Å
183N35.3Very low44.3Very low142 Ų14278.8 Ų78.876%0.75944%0.438SS*.  trans-12296.7-159.9-68.7-14.2000113.3
184R38.2Very low45.7Very low138 Ų13882 Ų8252%0.52145%0.45SS..  trans-168.5123141.2-125.5178.5177.1-168-4.9109.8
185V32Very low47.8Very low134 Ų13481.5 Ų81.581%0.81244%0.438SS*.  trans-79.7116166.7-178.40000106.2
186Y38.3Very low49.9Very low91 Ų9182 Ų8236%0.35744%0.437SS..  trans-76.7139172.7-70.2-72.4000109.1L175 H188L175-Y186 HydrophobicContact CD2-CD1 3.76Å; L175-Y186 HydrophobicContact CD2-CE1 3.1Å; L175-Y186 HydrophobicContact CD2-CE2 4.5Å; Y186-H188 PolarHBondContact O-CD2 3.04Å; Y186-H188 PolarHBondContact O-N 3Å; Y186-H188 PolarHBondContact O-NE2 3.36Å
187T33.8Very low52.3Low123 Ų12381.5 Ų81.576%0.75543%0.433SS*.  trans-70.3114.3170.640.40000108.7Q189T187-Q189 PolarHBondContact O-N 2.95Å
188H34.8Very low54.6Low97 Ų9779.9 Ų79.945%0.44943%0.426SS..THydrogen-bonded Turntrans-67.3-2.5-167.7-65.5-101.9000115.6Y186 D235Y186-H188 PolarHBondContact O-CD2 3.04Å; Y186-H188 PolarHBondContact O-N 3Å; Y186-H188 PolarHBondContact O-NE2 3.36Å; H188-D235 IonicContact ND1-OD2 3.8Å
189Q31.1Very low57.3Low172 Ų17279.1 Ų79.180%0.80442%0.419SS*.THydrogen-bonded Turntrans-102.4-1.9-154.3-78.2-179.8-22.400117.5T187T187-Q189 PolarHBondContact O-N 2.95Å
190V40.1Very low60Low105 Ų10575.4 Ų75.464%0.63640%0.404SS*.SBendtrans-138.917.2-174.2-153.10000115.2
191V58.5Low63Low44 Ų4472.9 Ų72.927%0.26738%0.375SS..SBendtrans-119.6138.4179.4-172.50000110.7R193V191-R193 PolarHBondContact O-N 3.39Å
192T69.2Low66.1Low62 Ų6270.9 Ų70.938%0.3836%0.361SS..  trans-51.6110.5175.2-48.80000110.5W194 Y195T192-W194 HydrophobicContact CG2-CB 4.15Å; T192-W194 HydrophobicContact CG2-CD2 3.69Å; T192-W194 HydrophobicContact CG2-CE3 3.74Å; T192-W194 HydrophobicContact CG2-CG 3.86Å; T192-W194 HydrophobicContact CG2-CZ3 4.45Å; T192-Y195 HydrophobicContact CG2-CD2 4.27Å; T192-Y195 HydrophobicContact CG2-CE2 3.91Å
193R87.6Confident69Low45 Ų4566.2 Ų66.217%0.1733%0.334CS..  trans-87.2-6.8-175.262.2177.461.278.70.2114.5V191 Y195 R196 G232 D233 S234 D235V191-R193 PolarHBondContact O-N 3.39Å; R193-Y195 PolarHBondContact O-N 3.33Å; R193-R196 HydrophobicContact CB-CG 4.48Å; R193-R196 WeakPolarHBondContact O-CB 3.45Å; R193-R196 PolarHBondContact O-N 3.2Å; R193-G232 WeakPolarHBondContact CD-O 3.47Å; R193-G232 WeakPolarHBondContact CG-O 3.47Å; R193-D233 PolarHBondContact NH1-O 3.43Å; R193-S234 VanDerWaalsContact CD-C 3.46Å; R193-S234 WeakPolarHBondContact CD-O 3.25Å; R193-D235 IonicContact NE-OD1 3.06Å; R193-D235 PolarHBondContact NE-OD1 3.39Å
194W95Very high71.6Confident81 Ų8160 Ų6031%0.30730%0.302SS..THydrogen-bonded Turntrans-60.3-20.5-171.5-55.5-17.6000114.7T192 P228 L230 A231 G232 Q238T192-W194 HydrophobicContact CG2-CB 4.15Å; T192-W194 HydrophobicContact CG2-CD2 3.69Å; T192-W194 HydrophobicContact CG2-CE3 3.74Å; T192-W194 HydrophobicContact CG2-CG 3.86Å; T192-W194 HydrophobicContact CG2-CZ3 4.45Å; W194-P228 HydrophobicContact CD2-CB 4.32Å; W194-P228 HydrophobicContact CE3-CB 3.6Å; W194-P228 HydrophobicContact CE3-CG 3.77Å; W194-P228 HydrophobicContact CH2-CG 4.22Å; W194-P228 HydrophobicContact CZ3-CB 3.78Å; W194-P228 HydrophobicContact CZ3-CG 3.42Å; W194-P228 VanDerWaalsContact CZ3-CG 3.42Å; W194-L230 WeakPolarHBondContact CA-O 3.37Å; W194-L230 WeakPolarHBondContact CB-O 3.47Å; W194-A231 HydrophobicContact CD2-CB 4.2Å; W194-A231 HydrophobicContact CZ2-CB 4.11Å; W194-G232 PolarHBondContact NE1-O 3.06Å; W194-Q238 PolarHBondContact O-NE2 2.94Å
195Y96Very high73.7Confident21 Ų2163.8 Ų63.88%0.08232%0.316CS..THydrogen-bonded Turntrans-106.22.8179.9-47.9-87.4000112.9L155 K156 P157 T192 R193 C218 I219 E222L155-Y195 WeakPolarHBondContact O-CB 3.49Å; K156-Y195 HydrophobicContact CB-CD2 3.52Å; K156-Y195 HydrophobicContact CB-CE2 3.5Å; K156-Y195 VanDerWaalsContact CB-CE2 3.5Å; K156-Y195 HydrophobicContact CB-CG 4.09Å; P157-Y195 WeakPolarHBondContact CD-OH 3.4Å; P157-Y195 HydrophobicContact CG-CE1 4.18Å; T192-Y195 HydrophobicContact CG2-CD2 4.27Å; T192-Y195 HydrophobicContact CG2-CE2 3.91Å; R193-Y195 PolarHBondContact O-N 3.33Å; Y195-C218 HydrophobicContact CD1-CB 3.57Å; Y195-C218 HydrophobicContact CE1-CB 4.23Å; Y195-C218 HydrophobicContact CG-CB 4.44Å; Y195-I219 HydrophobicContact CD1-CG1 3.95Å; Y195-I219 HydrophobicContact CE1-CG1 3.98Å; Y195-E222 VanDerWaalsContact CE1-OE2 3.27Å; Y195-E222 WeakPolarHBondContact CE1-OE2 3.01Å; Y195-E222 VanDerWaalsContact CZ-OE2 3.28Å; Y195-E222 PolarHBondContact OH-OE2 3.22Å
196R94.4Very high76.1Confident53 Ų5365.9 Ų65.920%0.232%0.32CS..  trans-71.6137.5178.3-70.9-177.1-176.7168.31.4110.6R193 L201 W214 D235R193-R196 HydrophobicContact CB-CG 4.48Å; R193-R196 WeakPolarHBondContact O-CB 3.45Å; R193-R196 PolarHBondContact O-N 3.2Å; R196-L201 HydrophobicContact CB-CD1 4.47Å; R196-L201 HydrophobicContact CB-CD2 4Å; R196-L201 HydrophobicContact CB-CG 4.07Å; R196-W214 PolarHBondContact O-NE1 3.27Å; R196-W214 VanDerWaalsContact O-NE1 3.14Å; R196-D235 IonicContact NH1-OD1 2.72Å; R196-D235 PolarHBondContact NH1-OD1 3.18Å; R196-D235 VanDerWaalsContact NH1-OD1 3.14Å; R196-D235 IonicContact NH1-OD2 3.33Å
197S96.6Very high78.3Confident1 Ų164.5 Ų64.51%0.00731%0.314CS..  trans-74.6154.2174.461.70000112.3E199 L200 L201 W214S197-E199 VanDerWaalsContact C-N 3.27Å; S197-E199 WeakPolarHBondContact CB-OE1 3.13Å; S197-E199 VanDerWaalsContact CB-OE2 3.3Å; S197-E199 WeakPolarHBondContact CB-OE2 3.42Å; S197-E199 PolarHBondContact O-N 3.3Å; S197-E199 PolarHBondContact OG-OE1 3.4Å; S197-E199 PolarHBondContact OG-OE2 3.35Å; S197-L200 PolarHBondContact O-N 3.39Å; S197-L200 VanDerWaalsContact O-N 3.07Å; S197-L201 PolarHBondContact O-N 3.08Å; S197-L201 VanDerWaalsContact O-N 3.16Å; S197-W214 VanDerWaalsContact CA-CD1 3.42Å
198P97.6Very high81Confident0 Ų059.8 Ų59.80%029%0.291CS..Hα-helixtrans-60.1-35.8-176.622.3-33.6000112.6L200 L201 F202 W214 L239 W254 F295P198-L200 VanDerWaalsContact C-N 3.31Å; P198-L200 PolarHBondContact O-N 3.02Å; P198-L201 PolarHBondContact O-N 2.92Å; P198-F202 WeakPolarHBondContact O-CD2 3.38Å; P198-F202 PolarHBondContact O-N 3.2Å; P198-W214 HydrophobicContact CG-CE3 4.38Å; P198-W214 HydrophobicContact CG-CH2 4.09Å; P198-W214 HydrophobicContact CG-CZ2 4.45Å; P198-W214 HydrophobicContact CG-CZ3 4.05Å; P198-L239 HydrophobicContact CB-CD2 4.2Å; P198-W254 HydrophobicContact CB-CH2 4.18Å; P198-W254 HydrophobicContact CB-CZ3 3.99Å; P198-W254 HydrophobicContact CG-CH2 4.46Å; P198-W254 HydrophobicContact CG-CZ3 4.3Å; P198-F295 HydrophobicContact CB-CD1 4.26Å; P198-F295 HydrophobicContact CB-CE1 4.37Å; P198-F295 HydrophobicContact CG-CD1 3.76Å; P198-F295 HydrophobicContact CG-CE1 4.12Å
199E96.1Very high83.9Confident5 Ų557.4 Ų57.42%0.02328%0.282CS..Hα-helixtrans-63.8-35.1176.467.8-80.9-174.200113S197 G203 A204 W254 P297 R300S197-E199 VanDerWaalsContact C-N 3.27Å; S197-E199 WeakPolarHBondContact CB-OE1 3.13Å; S197-E199 VanDerWaalsContact CB-OE2 3.3Å; S197-E199 WeakPolarHBondContact CB-OE2 3.42Å; S197-E199 PolarHBondContact O-N 3.3Å; S197-E199 PolarHBondContact OG-OE1 3.4Å; S197-E199 PolarHBondContact OG-OE2 3.35Å; E199-G203 PolarHBondContact O-N 3.48Å; E199-A204 HydrophobicContact CB-CB 4.05Å; E199-A204 WeakPolarHBondContact O-CB 3.43Å; E199-A204 PolarHBondContact O-N 3.23Å; E199-W254 HydrophobicContact CB-CH2 3.91Å; E199-W254 HydrophobicContact CB-CZ2 3.71Å; E199-P297 HydrophobicContact CB-CG 3.94Å; E199-P297 HydrophobicContact CG-CB 4.49Å; E199-P297 HydrophobicContact CG-CG 3.75Å; E199-R300 IonicContact OE1-CZ 3.08Å; E199-R300 IonicContact OE1-NH1 2.65Å; E199-R300 PolarHBondContact OE1-NH1 2.83Å; E199-R300 IonicContact OE1-NH2 2.72Å; E199-R300 IonicContact OE2-CZ 2.86Å; E199-R300 IonicContact OE2-NH1 2.8Å; E199-R300 PolarHBondContact OE2-NH1 3.3Å; E199-R300 IonicContact OE2-NH2 2.76Å; E199-R300 PolarHBondContact OE2-NH2 3.06Å
200L93.2Very high87Confident48 Ų4849.3 Ų49.325%0.25125%0.246SC..Hα-helixtrans-71.9-36.6175.4-71.6179.2000111.6S197 P198 F202 G203 Y207 V211S197-L200 PolarHBondContact O-N 3.39Å; S197-L200 VanDerWaalsContact O-N 3.07Å; P198-L200 VanDerWaalsContact C-N 3.31Å; P198-L200 PolarHBondContact O-N 3.02Å; L200-F202 VanDerWaalsContact C-N 3.3Å; L200-G203 PolarHBondContact O-N 3.36Å; L200-G203 VanDerWaalsContact O-N 3.1Å; L200-Y207 HydrophobicContact CD2-CD1 3.65Å; L200-Y207 HydrophobicContact CD2-CD2 4.27Å; L200-Y207 HydrophobicContact CD2-CE1 3.86Å; L200-Y207 HydrophobicContact CD2-CE2 4.41Å; L200-Y207 HydrophobicContact CD2-CG 3.89Å; L200-V211 HydrophobicContact CD1-CB 3.93Å; L200-V211 HydrophobicContact CD1-CG1 3.8Å; L200-V211 HydrophobicContact CD2-CG1 4.18Å; L200-V211 HydrophobicContact CG-CG1 3.86Å
201L94.7Very high89.7Confident11 Ų1144.6 Ų44.66%0.05822%0.217CC..Hα-helixtrans-68.4-30.5176.8-64.7167.7000112R196 S197 P198 G203 D235 Q238 L239 I242R196-L201 HydrophobicContact CB-CD1 4.47Å; R196-L201 HydrophobicContact CB-CD2 4Å; R196-L201 HydrophobicContact CB-CG 4.07Å; S197-L201 PolarHBondContact O-N 3.08Å; S197-L201 VanDerWaalsContact O-N 3.16Å; P198-L201 PolarHBondContact O-N 2.92Å; L201-G203 PolarHBondContact O-N 2.75Å; L201-D235 HydrophobicContact CD2-CB 3.91Å; L201-Q238 HydrophobicContact CD1-CB 4.03Å; L201-Q238 HydrophobicContact CD1-CG 3.51Å; L201-Q238 HydrophobicContact CD2-CB 4.27Å; L201-Q238 HydrophobicContact CD2-CG 4.15Å; L201-Q238 HydrophobicContact CG-CG 4.5Å; L201-L239 HydrophobicContact CB-CD1 3.95Å; L201-L239 HydrophobicContact CB-CD2 3.81Å; L201-L239 HydrophobicContact CB-CG 3.73Å; L201-L239 HydrophobicContact CD1-CD2 3.94Å; L201-L239 HydrophobicContact CD1-CG 3.93Å; L201-L239 HydrophobicContact CG-CG 4.43Å; L201-I242 HydrophobicContact CD1-CD1 3.51Å
202F95.3Very high91.5Very high2 Ų242.6 Ų42.61%0.00921%0.205CC..THydrogen-bonded Turntrans-83.512.9169.9-72.7-48.9000114.4P198 L200 A204 L239 F243 W254 L260 D262 Y263 F266P198-F202 WeakPolarHBondContact O-CD2 3.38Å; P198-F202 PolarHBondContact O-N 3.2Å; L200-F202 VanDerWaalsContact C-N 3.3Å; F202-A204 PolarHBondContact O-N 3.08Å; F202-L239 HydrophobicContact CD1-CD1 3.8Å; F202-L239 HydrophobicContact CD2-CD2 4.29Å; F202-L239 HydrophobicContact CE1-CD1 3.58Å; F202-L239 HydrophobicContact CE1-CD2 4.33Å; F202-L239 HydrophobicContact CE2-CD2 3.95Å; F202-L239 HydrophobicContact CG-CD1 4.45Å; F202-L239 HydrophobicContact CZ-CD1 4.03Å; F202-L239 HydrophobicContact CZ-CD2 3.97Å; F202-F243 AromaticContact CE2-CZ 3.83Å; F202-F243 HydrophobicContact CE2-CZ 3.83Å; F202-F243 HydrophobicContact CZ-CE2 4.07Å; F202-F243 AromaticContact CZ-CZ 3.76Å; F202-F243 HydrophobicContact CZ-CZ 3.76Å; F202-W254 AromaticContact CD2-CH2 3.84Å; F202-W254 HydrophobicContact CD2-CH2 3.84Å; F202-W254 AromaticContact CD2-CZ3 3.94Å; F202-W254 HydrophobicContact CD2-CZ3 3.94Å; F202-W254 HydrophobicContact CE2-CH2 4.36Å; F202-W254 AromaticContact CE2-CZ3 3.99Å; F202-W254 HydrophobicContact CE2-CZ3 3.99Å; F202-L260 HydrophobicContact CB-CB 3.86Å; F202-L260 HydrophobicContact CB-CD1 3.62Å; F202-L260 HydrophobicContact CB-CG 4.37Å; F202-L260 HydrophobicContact CD2-CD1 4.02Å; F202-L260 HydrophobicContact CG-CD1 4.2Å; F202-D262 PolarHBondContact O-N 2.75Å; F202-Y263 HydrophobicContact CD1-CD2 4.33Å; F202-Y263 AromaticContact CE1-CD2 3.97Å; F202-Y263 HydrophobicContact CE1-CD2 3.97Å; F202-Y263 HydrophobicContact CE2-CD2 4.36Å; F202-Y263 AromaticContact CZ-CD2 3.99Å; F202-Y263 HydrophobicContact CZ-CD2 3.99Å; F202-Y263 HydrophobicContact CZ-CE2 4.24Å; F202-F266 AromaticContact CE1-CE2 3.8Å; F202-F266 HydrophobicContact CE1-CE2 3.8Å; F202-F266 HydrophobicContact CZ-CD2 4.32Å; F202-F266 AromaticContact CZ-CE2 3.91Å; F202-F266 HydrophobicContact CZ-CE2 3.91Å
203G90.7Very high92.9Very high16 Ų1639.7 Ų39.717%0.16519%0.187CC..THydrogen-bonded Turntrans74.821.5171.500000114.8E199 L200 L201 R205 P261 D262E199-G203 PolarHBondContact O-N 3.48Å; L200-G203 PolarHBondContact O-N 3.36Å; L200-G203 VanDerWaalsContact O-N 3.1Å; L201-G203 PolarHBondContact O-N 2.75Å; G203-R205 PolarHBondContact O-N 2.96Å; G203-P261 WeakPolarHBondContact O-CG 3.34Å; G203-D262 WeakPolarHBondContact CA-OD2 3.39Å
204A89.8Confident93.4Very high12 Ų1237.5 Ų37.510%0.09918%0.179CC..  trans-54.2125177.200000111.1E199 F202 Y207 L260E199-A204 HydrophobicContact CB-CB 4.05Å; E199-A204 WeakPolarHBondContact O-CB 3.43Å; E199-A204 PolarHBondContact O-N 3.23Å; F202-A204 PolarHBondContact O-N 3.08Å; A204-Y207 WeakPolarHBondContact O-CD1 3.45Å; A204-L260 HydrophobicContact CB-CD2 3.89Å
205R83.3Confident93.6Very high216 Ų21633.9 Ų33.982%0.81517%0.166SC*.SBendtrans-88.7-20.3178.9-60.9-176.8-178.4-177.21.5113G203G203-R205 PolarHBondContact O-N 2.96Å
206M81.4Confident93.7Very high179 Ų17932.9 Ų32.988%0.88216%0.162SC*.SBendtrans-116.8123.2174.8-63.6-171.9-64.900108.1
207Y85.8Confident93.9Very high61 Ų6130.3 Ų30.324%0.23915%0.152CC..  trans-151.4152.3-178.646.9-93.6000109.6L151 R153 L200 A204 V211L151-Y207 HydrophobicContact CD1-CD2 4.25Å; R153-Y207 VanDerWaalsContact CZ-OH 3.28Å; R153-Y207 PolarHBondContact NH1-OH 3.16Å; R153-Y207 PolarHBondContact NH2-OH 3.46Å; L200-Y207 HydrophobicContact CD2-CD1 3.65Å; L200-Y207 HydrophobicContact CD2-CD2 4.27Å; L200-Y207 HydrophobicContact CD2-CE1 3.86Å; L200-Y207 HydrophobicContact CD2-CE2 4.41Å; L200-Y207 HydrophobicContact CD2-CG 3.89Å; A204-Y207 WeakPolarHBondContact O-CD1 3.45Å; Y207-V211 HydrophobicContact CD2-CG1 3.92Å; Y207-V211 HydrophobicContact CD2-CG2 4.38Å; Y207-V211 HydrophobicContact CG-CG1 4.07Å
208G90.2Very high94Very high25 Ų2530.4 Ų30.426%0.25815%0.153SC..  trans-120-153.8-177.400000112.3G210 V211G208-G210 PolarHBondContact O-N 3.19Å; G208-G210 VanDerWaalsContact O-N 3.09Å; G208-V211 WeakPolarHBondContact O-CG2 3.46Å; G208-V211 PolarHBondContact O-N 2.68Å
209V95.4Very high94.1Very high46 Ų4630.4 Ų30.428%0.27915%0.153SC..THydrogen-bonded Turntrans-56.8-25.6-179-610000113.7H146 L151 V211 D212 M213 T302H146-V209 HydrophobicContact CB-CG1 3.9Å; H146-V209 VanDerWaalsContact CG-CG1 3.5Å; H146-V209 WeakPolarHBondContact ND1-CG1 3.48Å; L151-V209 HydrophobicContact CD2-CB 4.35Å; L151-V209 HydrophobicContact CD2-CG1 3.91Å; V209-V211 PolarHBondContact O-N 2.72Å; V209-D212 PolarHBondContact O-N 2.8Å; V209-M213 WeakPolarHBondContact O-CG 3.42Å; V209-M213 PolarHBondContact O-N 2.72Å; V209-T302 HydrophobicContact CG2-CG2 3.96Å
210G96.8Very high94.2Very high3 Ų330.2 Ų30.23%0.03115%0.152CC..Hα-helixtrans-53.5-30.5-179.800000114.2G208 D212 M213 W214 R300G208-G210 PolarHBondContact O-N 3.19Å; G208-G210 VanDerWaalsContact O-N 3.09Å; G210-D212 PolarHBondContact O-N 3.32Å; G210-M213 PolarHBondContact O-N 3.08Å; G210-W214 PolarHBondContact O-N 3.17Å; G210-R300 WeakPolarHBondContact O-CD 3.12Å; G210-R300 PolarHBondContact O-NH1 2.79Å
211V95.4Very high94.4Very high6 Ų627.9 Ų27.94%0.03614%0.14CC..Hα-helixtrans-64-41.2178.5-54.90000111.9L200 Y207 G208 V209 A215L200-V211 HydrophobicContact CD1-CB 3.93Å; L200-V211 HydrophobicContact CD1-CG1 3.8Å; L200-V211 HydrophobicContact CD2-CG1 4.18Å; L200-V211 HydrophobicContact CG-CG1 3.86Å; Y207-V211 HydrophobicContact CD2-CG1 3.92Å; Y207-V211 HydrophobicContact CD2-CG2 4.38Å; Y207-V211 HydrophobicContact CG-CG1 4.07Å; G208-V211 WeakPolarHBondContact O-CG2 3.46Å; G208-V211 PolarHBondContact O-N 2.68Å; V209-V211 PolarHBondContact O-N 2.72Å; V211-A215 PolarHBondContact O-N 3.24Å
212D96.8Very high94.6Very high2 Ų227.5 Ų27.51%0.01114%0.137CC..Hα-helixtrans-71.7-40.3177.9-68.5-22.3000109.9L142 H146 H152 R153 L155 V209 G210 W214 A215 V216L142-D212 HydrophobicContact CD1-CB 4.47Å; L142-D212 HydrophobicContact CD2-CB 4.26Å; H146-D212 IonicContact CD2-OD2 3.34Å; H146-D212 IonicContact CE1-OD2 2.69Å; H146-D212 IonicContact NE2-OD2 3.56Å; H146-D212 PolarHBondContact NE2-OD2 3.47Å; H152-D212 PolarHBondContact N-OD1 3.12Å; H152-D212 PolarHBondContact N-OD2 2.86Å; R153-D212 PolarHBondContact N-OD1 2.65Å; L155-D212 HydrophobicContact CD1-CB 3.75Å; L155-D212 WeakPolarHBondContact CD1-O 3.44Å; V209-D212 PolarHBondContact O-N 2.8Å; G210-D212 PolarHBondContact O-N 3.32Å; D212-W214 VanDerWaalsContact C-N 3.34Å; D212-W214 PolarHBondContact O-N 2.95Å; D212-A215 WeakPolarHBondContact O-CB 3.23Å; D212-A215 PolarHBondContact O-N 3.41Å; D212-V216 WeakPolarHBondContact O-CG2 3.3Å; D212-V216 PolarHBondContact O-N 2.99Å
213M98.8Very high94.7Very high0 Ų027.5 Ų27.50%014%0.138CC..Hα-helixtrans-65.4-36.5-179.3-57.8-51.8-54.800112.6L139 V209 G210 V216 G217 L292 R300 T301 A303 A306L139-M213 HydrophobicContact CD2-CE 3.6Å; V209-M213 WeakPolarHBondContact O-CG 3.42Å; V209-M213 PolarHBondContact O-N 2.72Å; G210-M213 PolarHBondContact O-N 3.08Å; M213-V216 PolarHBondContact O-N 3.47Å; M213-G217 PolarHBondContact O-N 3.04Å; M213-L292 HydrophobicContact CB-CD2 4.28Å; M213-L292 HydrophobicContact CE-CD2 3.5Å; M213-L292 VanDerWaalsContact CE-CD2 3.5Å; M213-R300 HydrophobicContact CB-CG 4.48Å; M213-T301 WeakPolarHBondContact CB-O 3.44Å; M213-T301 WeakPolarHBondContact CE-O 3.36Å; M213-T301 VanDerWaalsContact CG-O 3.23Å; M213-T301 WeakPolarHBondContact CG-O 3.24Å; M213-A303 HydrophobicContact CE-CB 4.31Å; M213-A303 HydrophobicContact SD-CB 3.92Å; M213-A303 PolarHBondContact SD-N 2.87Å; M213-A303 VanDerWaalsContact SD-N 3.39Å; M213-A306 HydrophobicContact CE-CB 4.33Å
214W98.8Very high95Very high0 Ų029 Ų290%014%0.142CC..Hα-helixtrans-62.3-45.9172.1-178.8-85.2000111.6R196 S197 P198 G210 D212 V216 G217 C218 I242 L246 F293 F295R196-W214 PolarHBondContact O-NE1 3.27Å; R196-W214 VanDerWaalsContact O-NE1 3.14Å; S197-W214 VanDerWaalsContact CA-CD1 3.42Å; P198-W214 HydrophobicContact CG-CE3 4.38Å; P198-W214 HydrophobicContact CG-CH2 4.09Å; P198-W214 HydrophobicContact CG-CZ2 4.45Å; P198-W214 HydrophobicContact CG-CZ3 4.05Å; G210-W214 PolarHBondContact O-N 3.17Å; D212-W214 VanDerWaalsContact C-N 3.34Å; D212-W214 PolarHBondContact O-N 2.95Å; W214-V216 VanDerWaalsContact C-N 3.29Å; W214-V216 PolarHBondContact O-N 3.15Å; W214-G217 WeakPolarHBondContact O-CA 3.38Å; W214-G217 PolarHBondContact O-N 3.39Å; W214-C218 PolarHBondContact O-N 3.19Å; W214-I242 HydrophobicContact CH2-CG2 3.88Å; W214-I242 HydrophobicContact CZ2-CD1 4.07Å; W214-I242 HydrophobicContact CZ2-CG1 4.05Å; W214-I242 HydrophobicContact CZ2-CG2 3.91Å; W214-L246 HydrophobicContact CH2-CD1 3.62Å; W214-L246 HydrophobicContact CZ2-CD1 4.12Å; W214-L246 HydrophobicContact CZ3-CD1 4.46Å; W214-F293 HydrophobicContact CD2-CD1 4.18Å; W214-F293 HydrophobicContact CE3-CD1 4.03Å; W214-F293 AromaticContact CH2-CD1 3.96Å; W214-F293 HydrophobicContact CH2-CD1 3.96Å; W214-F293 HydrophobicContact CZ2-CD1 4.08Å; W214-F293 HydrophobicContact CZ2-CE1 4.41Å; W214-F293 HydrophobicContact CZ3-CB 4.34Å; W214-F293 AromaticContact CZ3-CD1 3.93Å; W214-F293 HydrophobicContact CZ3-CD1 3.93Å; W214-F295 HydrophobicContact CH2-CE1 4.18Å
215A98.1Very high95.4Very high4 Ų431.2 Ų31.23%0.03315%0.152CC..Hα-helixtrans-61.8-37.3177.300000112L155 V211 D212 G217 C218 I219L155-A215 HydrophobicContact CB-CB 3.61Å; L155-A215 HydrophobicContact CD1-CB 4.35Å; V211-A215 PolarHBondContact O-N 3.24Å; D212-A215 WeakPolarHBondContact O-CB 3.23Å; D212-A215 PolarHBondContact O-N 3.41Å; A215-G217 VanDerWaalsContact C-N 3.31Å; A215-G217 PolarHBondContact O-N 3.37Å; A215-C218 PolarHBondContact O-N 3.24Å; A215-I219 VanDerWaalsContact O-CG1 3.26Å; A215-I219 WeakPolarHBondContact O-CG1 3.48Å; A215-I219 PolarHBondContact O-N 3.24Å
216V98.8Very high96Very high0 Ų023.5 Ų23.50%012%0.122CC..Hα-helixtrans-59.7-42.1170.7175.20000111.3I135 T138 L139 L142 L155 D212 M213 W214 C218 I219 L220 L292I135-V216 HydrophobicContact CG2-CG1 4.35Å; T138-V216 HydrophobicContact CG2-CG2 4.05Å; L139-V216 HydrophobicContact CD2-CG1 4.09Å; L142-V216 HydrophobicContact CD1-CG2 3.33Å; L155-V216 HydrophobicContact CD1-CG2 4.07Å; D212-V216 WeakPolarHBondContact O-CG2 3.3Å; D212-V216 PolarHBondContact O-N 2.99Å; M213-V216 PolarHBondContact O-N 3.47Å; W214-V216 VanDerWaalsContact C-N 3.29Å; W214-V216 PolarHBondContact O-N 3.15Å; V216-C218 PolarHBondContact O-N 3.23Å; V216-I219 PolarHBondContact O-N 3.49Å; V216-L220 WeakPolarHBondContact O-CB 3.49Å; V216-L220 PolarHBondContact O-N 3.08Å; V216-L292 HydrophobicContact CG1-CD1 4.16Å; V216-L292 HydrophobicContact CG1-CD2 4.44Å
217G98.8Very high96.6Very high0 Ų020.2 Ų20.20%011%0.107CC..Hα-helixtrans-56.5-48.3172.800000112.3M213 W214 A215 I219 L220 A221 F293M213-G217 PolarHBondContact O-N 3.04Å; W214-G217 WeakPolarHBondContact O-CA 3.38Å; W214-G217 PolarHBondContact O-N 3.39Å; A215-G217 VanDerWaalsContact C-N 3.31Å; A215-G217 PolarHBondContact O-N 3.37Å; G217-I219 PolarHBondContact O-N 3.11Å; G217-L220 PolarHBondContact O-N 3.48Å; G217-A221 WeakPolarHBondContact O-CB 3.36Å; G217-A221 PolarHBondContact O-N 3.28Å; G217-F293 WeakPolarHBondContact O-CZ 3.45Å
218C98.8Very high97.1Very high3 Ų319.2 Ų19.22%0.0211%0.108CC..Hα-helixtrans-61.7-41.3176-70.60000112.8Y195 W214 A215 V216 A221 E222Y195-C218 HydrophobicContact CD1-CB 3.57Å; Y195-C218 HydrophobicContact CE1-CB 4.23Å; Y195-C218 HydrophobicContact CG-CB 4.44Å; W214-C218 PolarHBondContact O-N 3.19Å; A215-C218 PolarHBondContact O-N 3.24Å; V216-C218 PolarHBondContact O-N 3.23Å; C218-A221 PolarHBondContact O-N 2.93Å; C218-E222 WeakPolarHBondContact O-CB 3.4Å; C218-E222 PolarHBondContact O-N 3.41Å
219I98.7Very high97.5Very high0 Ų019.5 Ų19.50%010%0.103CC..Hα-helixtrans-66.2-41.5177.9-68.2164.6000110.9L115 I135 L155 P157 L160 Y195 A215 V216 G217 E222 L223L115-I219 HydrophobicContact CD2-CG2 3.85Å; I135-I219 HydrophobicContact CD1-CG2 4.49Å; L155-I219 HydrophobicContact CB-CD1 4.22Å; P157-I219 HydrophobicContact CG-CG1 4.26Å; L160-I219 HydrophobicContact CD1-CD1 3.92Å; L160-I219 HydrophobicContact CD1-CG2 3.92Å; Y195-I219 HydrophobicContact CD1-CG1 3.95Å; Y195-I219 HydrophobicContact CE1-CG1 3.98Å; A215-I219 VanDerWaalsContact O-CG1 3.26Å; A215-I219 WeakPolarHBondContact O-CG1 3.48Å; A215-I219 PolarHBondContact O-N 3.24Å; V216-I219 PolarHBondContact O-N 3.49Å; G217-I219 PolarHBondContact O-N 3.11Å; I219-E222 PolarHBondContact O-N 3.47Å; I219-L223 HydrophobicContact CG2-CD1 4.41Å; I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 3.42Å
220L98.8Very high97.6Very high0 Ų017.6 Ų17.60%09%0.091CC..Hα-helixtrans-63.8-44.1175.4175.950.9000111.5I131 I135 V216 G217 E222 L223 L224 L285 L288 L289 L292I131-L220 HydrophobicContact CG2-CD1 3.5Å; I131-L220 VanDerWaalsContact CG2-CD1 3.5Å; I135-L220 HydrophobicContact CD1-CB 3.82Å; I135-L220 HydrophobicContact CD1-CD1 4.17Å; I135-L220 HydrophobicContact CD1-CG 4.46Å; I135-L220 HydrophobicContact CG1-CB 4.24Å; I135-L220 HydrophobicContact CG1-CD1 3.7Å; I135-L220 HydrophobicContact CG1-CG 4.35Å; V216-L220 WeakPolarHBondContact O-CB 3.49Å; V216-L220 PolarHBondContact O-N 3.08Å; G217-L220 PolarHBondContact O-N 3.48Å; L220-E222 VanDerWaalsContact C-N 3.32Å; L220-E222 PolarHBondContact O-N 3.23Å; L220-L223 PolarHBondContact O-N 2.93Å; L220-L224 HydrophobicContact CD1-CD1 4.23Å; L220-L224 HydrophobicContact CD1-CG 4.39Å; L220-L224 HydrophobicContact CG-CD1 4.38Å; L220-L224 WeakPolarHBondContact O-CG 2.94Å; L220-L224 PolarHBondContact O-N 3.23Å; L220-L224 VanDerWaalsContact O-N 3.13Å; L220-L285 HydrophobicContact CD1-CD1 3.98Å; L220-L285 HydrophobicContact CD2-CD1 3.75Å; L220-L285 HydrophobicContact CG-CD1 4.22Å; L220-L288 HydrophobicContact CD2-CD2 3.92Å; L220-L288 HydrophobicContact CD2-CG 4.27Å; L220-L289 HydrophobicContact CB-CD2 4.41Å; L220-L289 HydrophobicContact CD2-CD2 3.86Å; L220-L289 HydrophobicContact CD2-CG 4.06Å; L220-L289 HydrophobicContact CG-CD2 3.93Å; L220-L289 HydrophobicContact CG-CG 4.46Å; L220-L292 HydrophobicContact CD2-CD1 4.11Å
221A98.6Very high97.5Very high0 Ų019.2 Ų19.20%010%0.104CC..Hα-helixtrans-59.3-43.817400000111.6G217 C218 L224 L225 F229 F278 F293G217-A221 WeakPolarHBondContact O-CB 3.36Å; G217-A221 PolarHBondContact O-N 3.28Å; C218-A221 PolarHBondContact O-N 2.93Å; A221-L224 PolarHBondContact O-N 3.01Å; A221-L225 WeakPolarHBondContact O-CB 3.37Å; A221-L225 VanDerWaalsContact O-CG 3.28Å; A221-L225 WeakPolarHBondContact O-CG 3.33Å; A221-L225 PolarHBondContact O-N 2.9Å; A221-F229 HydrophobicContact CB-CB 3.67Å; A221-F229 HydrophobicContact CB-CD1 3.6Å; A221-F229 HydrophobicContact CB-CD2 4.37Å; A221-F229 HydrophobicContact CB-CE1 4.35Å; A221-F229 HydrophobicContact CB-CG 3.62Å; A221-F278 HydrophobicContact CB-CE1 3.62Å; A221-F278 HydrophobicContact CB-CZ 3.48Å; A221-F278 VanDerWaalsContact CB-CZ 3.48Å; A221-F293 HydrophobicContact CB-CE2 4.47Å; A221-F293 HydrophobicContact CB-CZ 4.27Å
222E98.1Very high97.5Very high2 Ų219 Ų191%0.00910%0.102CC..Hα-helixtrans-67.7-34.4177.9-176.8173.7-175.900113I119 P157 Y195 C218 I219 L220 L224 L225 R226 I227I119-E222 HydrophobicContact CD1-CG 4.04Å; I119-E222 HydrophobicContact CG2-CG 3.74Å; P157-E222 WeakPolarHBondContact CG-OE2 3.33Å; Y195-E222 VanDerWaalsContact CE1-OE2 3.27Å; Y195-E222 WeakPolarHBondContact CE1-OE2 3.01Å; Y195-E222 VanDerWaalsContact CZ-OE2 3.28Å; Y195-E222 PolarHBondContact OH-OE2 3.22Å; C218-E222 WeakPolarHBondContact O-CB 3.4Å; C218-E222 PolarHBondContact O-N 3.41Å; I219-E222 PolarHBondContact O-N 3.47Å; L220-E222 VanDerWaalsContact C-N 3.32Å; L220-E222 PolarHBondContact O-N 3.23Å; E222-L224 VanDerWaalsContact C-N 3.29Å; E222-L224 PolarHBondContact O-N 3.45Å; E222-L225 PolarHBondContact O-N 3.35Å; E222-R226 VanDerWaalsContact O-CA 3.25Å; E222-R226 WeakPolarHBondContact O-CA 3.41Å; E222-R226 PolarHBondContact O-N 2.95Å; E222-I227 WeakPolarHBondContact CG-O 3.09Å
223L97.8Very high97.1Very high2 Ų225.4 Ų25.41%0.0114%0.137CC..Hα-helixtrans-62.1-37.5171.4-81167.6000112.3L115 I119 L126 I131 Y134 I135 I219 L220L115-L223 HydrophobicContact CD1-CD2 4.14Å; L115-L223 HydrophobicContact CD2-CD1 4.19Å; L115-L223 HydrophobicContact CD2-CD2 4.24Å; L115-L223 HydrophobicContact CD2-CG 4.37Å; L115-L223 HydrophobicContact CG-CD2 4.24Å; I119-L223 HydrophobicContact CD1-CD2 3.96Å; I119-L223 HydrophobicContact CD1-CG 4.1Å; I119-L223 HydrophobicContact CG1-CD2 3.69Å; I119-L223 HydrophobicContact CG1-CG 4.3Å; L126-L223 HydrophobicContact CD1-CD2 3.59Å; I131-L223 HydrophobicContact CD1-CB 4.41Å; I131-L223 HydrophobicContact CG1-CB 4.26Å; I131-L223 HydrophobicContact CG2-CB 4.19Å; I131-L223 HydrophobicContact CG2-CD1 4.2Å; Y134-L223 HydrophobicContact CD2-CD1 4.48Å; Y134-L223 HydrophobicContact CD2-CD2 4.06Å; I135-L223 HydrophobicContact CD1-CD1 3.8Å; I135-L223 HydrophobicContact CG1-CD1 4.23Å; I219-L223 HydrophobicContact CG2-CD1 4.41Å; I219-L223 WeakPolarHBondContact O-CG 3.43Å; I219-L223 PolarHBondContact O-N 3.42Å; L220-L223 PolarHBondContact O-N 2.93Å
224L97.3Very high96.8Very high49 Ų4927.8 Ų27.826%0.25715%0.154SC..Hα-helixtrans-74.9-41.5178.6-66.3165.4000112I131 L220 A221 E222 F278 L285 L289I131-L224 HydrophobicContact CD1-CD2 3.67Å; I131-L224 HydrophobicContact CD1-CG 4.36Å; L220-L224 HydrophobicContact CD1-CD1 4.23Å; L220-L224 HydrophobicContact CD1-CG 4.39Å; L220-L224 HydrophobicContact CG-CD1 4.38Å; L220-L224 WeakPolarHBondContact O-CG 2.94Å; L220-L224 PolarHBondContact O-N 3.23Å; L220-L224 VanDerWaalsContact O-N 3.13Å; A221-L224 PolarHBondContact O-N 3.01Å; E222-L224 VanDerWaalsContact C-N 3.29Å; E222-L224 PolarHBondContact O-N 3.45Å; L224-F278 HydrophobicContact CB-CD1 4.06Å; L224-F278 HydrophobicContact CD1-CB 4.49Å; L224-F278 HydrophobicContact CD1-CD1 3.79Å; L224-F278 HydrophobicContact CD1-CE1 4.29Å; L224-F278 HydrophobicContact CD1-CG 4.2Å; L224-L285 HydrophobicContact CD1-CD2 4.06Å; L224-L285 HydrophobicContact CD2-CD2 3.85Å; L224-L289 HydrophobicContact CD1-CD1 4.04Å
225L96.7Very high96.5Very high58 Ų5829.7 Ų29.730%0.30416%0.164SC..Hα-helixtrans-89.4-18.5-174.5-63.2174.1000113.7A221 E222 I227 F229 F278A221-L225 WeakPolarHBondContact O-CB 3.37Å; A221-L225 VanDerWaalsContact O-CG 3.28Å; A221-L225 WeakPolarHBondContact O-CG 3.33Å; A221-L225 PolarHBondContact O-N 2.9Å; E222-L225 PolarHBondContact O-N 3.35Å; L225-I227 HydrophobicContact CB-CG1 3.95Å; L225-I227 PolarHBondContact O-N 2.87Å; L225-I227 VanDerWaalsContact O-N 3.13Å; L225-F229 HydrophobicContact CD1-CB 4.25Å; L225-F229 HydrophobicContact CD1-CD2 3.58Å; L225-F229 HydrophobicContact CD1-CE2 4.36Å; L225-F229 HydrophobicContact CD1-CG 4.24Å; L225-F278 HydrophobicContact CD1-CE1 3.8Å; L225-F278 HydrophobicContact CD2-CD1 4.19Å; L225-F278 HydrophobicContact CD2-CE1 4.26Å; L225-F278 HydrophobicContact CG-CD1 4.2Å; L225-F278 HydrophobicContact CG-CE1 3.86Å
226R95.9Very high96.3Very high53 Ų5334.2 Ų34.220%0.219%0.187CC..SBendtrans6112.3-173.1-50.5-70-72.7168.30114.1I118 I119 D121 E222I118-R226 VanDerWaalsContact O-CZ 3.24Å; I118-R226 PolarHBondContact O-NH1 2.89Å; I118-R226 PolarHBondContact O-NH2 3.46Å; I119-R226 VanDerWaalsContact CA-NH1 3.27Å; I119-R226 PolarHBondContact O-NE 2.87Å; I119-R226 PolarHBondContact O-NH1 3.33Å; I119-R226 PolarHBondContact O-NH2 2.89Å; D121-R226 PolarHBondContact O-NH2 3.41Å; E222-R226 VanDerWaalsContact O-CA 3.25Å; E222-R226 WeakPolarHBondContact O-CA 3.41Å; E222-R226 PolarHBondContact O-N 2.95Å
227I95.4Very high96.2Very high110 Ų11036.4 Ų36.456%0.56420%0.198SC*.SBendtrans-139.8152.5175.759.6169.5000109.3E222 L225 F229E222-I227 WeakPolarHBondContact CG-O 3.09Å; L225-I227 HydrophobicContact CB-CG1 3.95Å; L225-I227 PolarHBondContact O-N 2.87Å; L225-I227 VanDerWaalsContact O-N 3.13Å; I227-F229 PolarHBondContact O-N 3.22Å
228P96.2Very high96.1Very high40 Ų4036.4 Ų36.426%0.2620%0.198SC..  trans-55.8124.3176.8-24.633.7000111.2W194 A231W194-P228 HydrophobicContact CD2-CB 4.32Å; W194-P228 HydrophobicContact CE3-CB 3.6Å; W194-P228 HydrophobicContact CE3-CG 3.77Å; W194-P228 HydrophobicContact CH2-CG 4.22Å; W194-P228 HydrophobicContact CZ3-CB 3.78Å; W194-P228 HydrophobicContact CZ3-CG 3.42Å; W194-P228 VanDerWaalsContact CZ3-CG 3.42Å; P228-A231 HydrophobicContact CB-CB 4.29Å
229F97.7Very high96Very high32 Ų3236.5 Ų36.514%0.1420%0.199CC..SBendtrans-65.3-45.5-173.5177.4-138.2000112.6A221 L225 I227 A245 L246 I277 F278 F293A221-F229 HydrophobicContact CB-CB 3.67Å; A221-F229 HydrophobicContact CB-CD1 3.6Å; A221-F229 HydrophobicContact CB-CD2 4.37Å; A221-F229 HydrophobicContact CB-CE1 4.35Å; A221-F229 HydrophobicContact CB-CG 3.62Å; L225-F229 HydrophobicContact CD1-CB 4.25Å; L225-F229 HydrophobicContact CD1-CD2 3.58Å; L225-F229 HydrophobicContact CD1-CE2 4.36Å; L225-F229 HydrophobicContact CD1-CG 4.24Å; I227-F229 PolarHBondContact O-N 3.22Å; F229-A245 HydrophobicContact CE2-CB 4.49Å; F229-A245 HydrophobicContact CZ-CB 4.1Å; F229-L246 HydrophobicContact CE1-CD2 4.47Å; F229-L246 HydrophobicContact CZ-CD2 4.34Å; F229-I277 HydrophobicContact CD2-CG2 4.5Å; F229-I277 HydrophobicContact CE2-CD1 4.34Å; F229-I277 HydrophobicContact CE2-CG2 3.67Å; F229-I277 HydrophobicContact CZ-CD1 4.14Å; F229-I277 HydrophobicContact CZ-CG2 4.27Å; F229-F278 HydrophobicContact CD2-CZ 4.37Å; F229-F278 HydrophobicContact CE1-CZ 4.35Å; F229-F278 HydrophobicContact CE2-CZ 4.1Å; F229-F278 HydrophobicContact CZ-CZ 4.09Å; F229-F293 HydrophobicContact CD1-CE1 4.5Å; F229-F293 HydrophobicContact CD1-CE2 4.4Å; F229-F293 AromaticContact CD1-CZ 3.8Å; F229-F293 HydrophobicContact CD1-CZ 3.8Å; F229-F293 HydrophobicContact CE1-CE1 4.33Å; F229-F293 AromaticContact CE1-CE2 3.96Å; F229-F293 HydrophobicContact CE1-CE2 3.96Å; F229-F293 AromaticContact CE1-CZ 3.69Å; F229-F293 HydrophobicContact CE1-CZ 3.69Å
230L96.8Very high96Very high6 Ų638.2 Ų38.23%0.03121%0.209CC..SBendtrans-128.780.5-174.5-61.7167.5000109.9W194 G232 Q238 K241 I242 A245W194-L230 WeakPolarHBondContact CA-O 3.37Å; W194-L230 WeakPolarHBondContact CB-O 3.47Å; L230-G232 PolarHBondContact O-N 3.42Å; L230-Q238 PolarHBondContact O-NE2 2.75Å; L230-Q238 PolarHBondContact O-OE1 2.87Å; L230-Q238 VanDerWaalsContact O-OE1 3.1Å; L230-K241 HydrophobicContact CD2-CB 4.22Å; L230-K241 WeakPolarHBondContact CD2-O 3.28Å; L230-I242 HydrophobicContact CD1-CG1 3.76Å; L230-A245 HydrophobicContact CD2-CB 3.89Å
231A95.6Very high96Very high36 Ų3641.4 Ų41.430%0.29822%0.223SC..  trans-91.884-175.500000112.3W194 P228 K241W194-A231 HydrophobicContact CD2-CB 4.2Å; W194-A231 HydrophobicContact CZ2-CB 4.11Å; P228-A231 HydrophobicContact CB-CB 4.29Å; A231-K241 VanDerWaalsContact C-CD 3.49Å; A231-K241 VanDerWaalsContact O-CD 3.23Å; A231-K241 WeakPolarHBondContact O-CD 3.46Å; A231-K241 WeakPolarHBondContact O-CE 3.01Å; A231-K241 PolarHBondContact O-NZ 3.38Å
232G94.5Very high96Very high1 Ų141.4 Ų41.41%0.0122%0.223CC..  trans-92.2142.9177.600000115.1R193 W194 L230 D237 Q238R193-G232 WeakPolarHBondContact CD-O 3.47Å; R193-G232 WeakPolarHBondContact CG-O 3.47Å; W194-G232 PolarHBondContact NE1-O 3.06Å; L230-G232 PolarHBondContact O-N 3.42Å; G232-D237 WeakPolarHBondContact CA-OD2 3.37Å; G232-Q238 VanDerWaalsContact CA-OE1 3.23Å
233D90.1Very high96Very high137 Ų13741.4 Ų41.473%0.73322%0.223SC*.SBendtrans-88.3-21.6-178.2-68.8-35.2000113.3R193 D237R193-D233 PolarHBondContact NH1-O 3.43Å; D233-D237 PolarHBondContact N-OD2 3.47Å
234S91.4Very high96Very high51 Ų5146 Ų4636%0.35725%0.245SC..SBendtrans-140.6169.2175.1690000110.4R193 L236 D237 Q238R193-S234 VanDerWaalsContact CD-C 3.46Å; R193-S234 WeakPolarHBondContact CD-O 3.25Å; S234-L236 VanDerWaalsContact C-N 3.25Å; S234-L236 PolarHBondContact O-N 3Å; S234-D237 PolarHBondContact O-N 3.33Å; S234-D237 WeakPolarHBondContact OG-CB 3.17Å; S234-D237 PolarHBondContact OG-N 2.79Å; S234-D237 VanDerWaalsContact OG-N 3.07Å; S234-Q238 VanDerWaalsContact O-CB 3.28Å; S234-Q238 WeakPolarHBondContact O-CB 3.27Å; S234-Q238 PolarHBondContact O-N 2.94Å
235D91.9Very high96Very high39 Ų3944.4 Ų44.421%0.20924%0.238CC..Hα-helixtrans-64.3-33.9178.3-66.6-10000111.2H188 R193 R196 L201 L239H188-D235 IonicContact ND1-OD2 3.8Å; R193-D235 IonicContact NE-OD1 3.06Å; R193-D235 PolarHBondContact NE-OD1 3.39Å; R196-D235 IonicContact NH1-OD1 2.72Å; R196-D235 PolarHBondContact NH1-OD1 3.18Å; R196-D235 VanDerWaalsContact NH1-OD1 3.14Å; R196-D235 IonicContact NH1-OD2 3.33Å; L201-D235 HydrophobicContact CD2-CB 3.91Å; D235-L239 WeakPolarHBondContact O-CG 3.37Å; D235-L239 PolarHBondContact O-N 2.8Å; D235-L239 VanDerWaalsContact O-N 3.1Å
236L94.8Very high96.1Very high100 Ų10043.1 Ų43.152%0.52423%0.232SC..Hα-helixtrans-69.7-42.6174.1-172.873.2000112.6S234 Q238 L239 T240 V264 F266S234-L236 VanDerWaalsContact C-N 3.25Å; S234-L236 PolarHBondContact O-N 3Å; L236-Q238 VanDerWaalsContact C-N 3.35Å; L236-L239 PolarHBondContact O-N 3.43Å; L236-T240 PolarHBondContact O-N 3.42Å; L236-T240 PolarHBondContact O-OG1 2.8Å; L236-V264 HydrophobicContact CD1-CG2 3.84Å; L236-F266 HydrophobicContact CD1-CE1 3.92Å; L236-F266 HydrophobicContact CD1-CE2 4.48Å; L236-F266 HydrophobicContact CD1-CZ 3.56Å
237D95.8Very high96.2Very high45 Ų4541 Ų4124%0.24123%0.226CC..Hα-helixtrans-67.3-38176.3-179.652.4000111.4G232 D233 S234 L239 T240 K241G232-D237 WeakPolarHBondContact CA-OD2 3.37Å; D233-D237 PolarHBondContact N-OD2 3.47Å; S234-D237 PolarHBondContact O-N 3.33Å; S234-D237 WeakPolarHBondContact OG-CB 3.17Å; S234-D237 PolarHBondContact OG-N 2.79Å; S234-D237 VanDerWaalsContact OG-N 3.07Å; D237-L239 PolarHBondContact O-N 2.93Å; D237-T240 WeakPolarHBondContact O-CB 3.41Å; D237-T240 PolarHBondContact O-N 3.34Å; D237-K241 WeakPolarHBondContact O-CG 3.41Å; D237-K241 PolarHBondContact O-N 3.5Å; D237-K241 WeakPolarHBondContact OD1-CE 3.48Å; D237-K241 WeakPolarHBondContact OD2-CE 3.36Å
238Q97.4Very high96.3Very high0 Ų037.1 Ų37.10%021%0.207CC..Hα-helixtrans-59.6-46.5173.7-173.267.538.500111.5W194 L201 L230 G232 S234 L236 K241 I242W194-Q238 PolarHBondContact O-NE2 2.94Å; L201-Q238 HydrophobicContact CD1-CB 4.03Å; L201-Q238 HydrophobicContact CD1-CG 3.51Å; L201-Q238 HydrophobicContact CD2-CB 4.27Å; L201-Q238 HydrophobicContact CD2-CG 4.15Å; L201-Q238 HydrophobicContact CG-CG 4.5Å; L230-Q238 PolarHBondContact O-NE2 2.75Å; L230-Q238 PolarHBondContact O-OE1 2.87Å; L230-Q238 VanDerWaalsContact O-OE1 3.1Å; G232-Q238 VanDerWaalsContact CA-OE1 3.23Å; S234-Q238 VanDerWaalsContact O-CB 3.28Å; S234-Q238 WeakPolarHBondContact O-CB 3.27Å; S234-Q238 PolarHBondContact O-N 2.94Å; L236-Q238 VanDerWaalsContact C-N 3.35Å; Q238-K241 PolarHBondContact O-N 2.98Å; Q238-I242 HydrophobicContact CG-CD1 4.17Å; Q238-I242 VanDerWaalsContact O-CG1 3.24Å; Q238-I242 WeakPolarHBondContact O-CG1 3.45Å; Q238-I242 PolarHBondContact O-N 3.47Å
239L97.8Very high96.4Very high5 Ų535.6 Ų35.63%0.02620%0.197CC..Hα-helixtrans-61.7-42.6174.4-78.1167.5000112P198 L201 F202 D235 L236 D237 K241 I242 F243 F266P198-L239 HydrophobicContact CB-CD2 4.2Å; L201-L239 HydrophobicContact CB-CD1 3.95Å; L201-L239 HydrophobicContact CB-CD2 3.81Å; L201-L239 HydrophobicContact CB-CG 3.73Å; L201-L239 HydrophobicContact CD1-CD2 3.94Å; L201-L239 HydrophobicContact CD1-CG 3.93Å; L201-L239 HydrophobicContact CG-CG 4.43Å; F202-L239 HydrophobicContact CD1-CD1 3.8Å; F202-L239 HydrophobicContact CD2-CD2 4.29Å; F202-L239 HydrophobicContact CE1-CD1 3.58Å; F202-L239 HydrophobicContact CE1-CD2 4.33Å; F202-L239 HydrophobicContact CE2-CD2 3.95Å; F202-L239 HydrophobicContact CG-CD1 4.45Å; F202-L239 HydrophobicContact CZ-CD1 4.03Å; F202-L239 HydrophobicContact CZ-CD2 3.97Å; D235-L239 WeakPolarHBondContact O-CG 3.37Å; D235-L239 PolarHBondContact O-N 2.8Å; D235-L239 VanDerWaalsContact O-N 3.1Å; L236-L239 PolarHBondContact O-N 3.43Å; D237-L239 PolarHBondContact O-N 2.93Å; L239-K241 PolarHBondContact O-N 3.24Å; L239-I242 WeakPolarHBondContact O-CB 3.45Å; L239-I242 PolarHBondContact O-N 3.01Å; L239-F243 HydrophobicContact CB-CE2 4Å; L239-F243 HydrophobicContact CD2-CE2 4.06Å; L239-F243 HydrophobicContact CD2-CZ 3.74Å; L239-F243 WeakPolarHBondContact O-CD2 3.35Å; L239-F243 VanDerWaalsContact O-CG 3.3Å; L239-F243 WeakPolarHBondContact O-CG 3.18Å; L239-F243 PolarHBondContact O-N 2.9Å; L239-F266 HydrophobicContact CB-CE1 3.87Å; L239-F266 HydrophobicContact CB-CE2 4.15Å; L239-F266 HydrophobicContact CB-CZ 3.41Å; L239-F266 VanDerWaalsContact CB-CZ 3.41Å; L239-F266 HydrophobicContact CD1-CE2 4.02Å; L239-F266 HydrophobicContact CD1-CZ 3.78Å; L239-F266 HydrophobicContact CG-CZ 4.21Å
240T97.9Very high96.3Very high36 Ų3637.3 Ų37.322%0.22121%0.211CC..Hα-helixtrans-55.8-50.5175.8-55.80000111L236 D237 I242 F243 E244L236-T240 PolarHBondContact O-N 3.42Å; L236-T240 PolarHBondContact O-OG1 2.8Å; D237-T240 WeakPolarHBondContact O-CB 3.41Å; D237-T240 PolarHBondContact O-N 3.34Å; T240-I242 VanDerWaalsContact C-N 3.35Å; T240-I242 PolarHBondContact O-N 3.46Å; T240-F243 PolarHBondContact O-N 2.97Å; T240-E244 HydrophobicContact CG2-CG 4.33Å; T240-E244 WeakPolarHBondContact O-CB 3.4Å; T240-E244 WeakPolarHBondContact O-CG 3.38Å; T240-E244 PolarHBondContact O-N 2.92Å
241K98.1Very high96.2Very high67 Ų6740.9 Ų40.929%0.29123%0.227SC..Hα-helixtrans-62.5-39.7178.4-70.4169.7-173.4-83.10112.7L230 A231 D237 Q238 L239 A245L230-K241 HydrophobicContact CD2-CB 4.22Å; L230-K241 WeakPolarHBondContact CD2-O 3.28Å; A231-K241 VanDerWaalsContact C-CD 3.49Å; A231-K241 VanDerWaalsContact O-CD 3.23Å; A231-K241 WeakPolarHBondContact O-CD 3.46Å; A231-K241 WeakPolarHBondContact O-CE 3.01Å; A231-K241 PolarHBondContact O-NZ 3.38Å; D237-K241 WeakPolarHBondContact O-CG 3.41Å; D237-K241 PolarHBondContact O-N 3.5Å; D237-K241 WeakPolarHBondContact OD1-CE 3.48Å; D237-K241 WeakPolarHBondContact OD2-CE 3.36Å; Q238-K241 PolarHBondContact O-N 2.98Å; L239-K241 PolarHBondContact O-N 3.24Å; K241-A245 WeakPolarHBondContact O-CB 3.27Å; K241-A245 PolarHBondContact O-N 3.22Å; K241-A245 VanDerWaalsContact O-N 3.08Å
242I98.5Very high96.2Very high0 Ų047.5 Ų47.50%025%0.252CS..Hα-helixtrans-57.3-50.4174.7-72.6164.4000109.9L201 W214 L230 Q238 L239 T240 A245 L246 F295L201-I242 HydrophobicContact CD1-CD1 3.51Å; W214-I242 HydrophobicContact CH2-CG2 3.88Å; W214-I242 HydrophobicContact CZ2-CD1 4.07Å; W214-I242 HydrophobicContact CZ2-CG1 4.05Å; W214-I242 HydrophobicContact CZ2-CG2 3.91Å; L230-I242 HydrophobicContact CD1-CG1 3.76Å; Q238-I242 HydrophobicContact CG-CD1 4.17Å; Q238-I242 VanDerWaalsContact O-CG1 3.24Å; Q238-I242 WeakPolarHBondContact O-CG1 3.45Å; Q238-I242 PolarHBondContact O-N 3.47Å; L239-I242 WeakPolarHBondContact O-CB 3.45Å; L239-I242 PolarHBondContact O-N 3.01Å; T240-I242 VanDerWaalsContact C-N 3.35Å; T240-I242 PolarHBondContact O-N 3.46Å; I242-A245 PolarHBondContact O-N 3.28Å; I242-L246 HydrophobicContact CG2-CD1 4.43Å; I242-L246 WeakPolarHBondContact O-CB 3.35Å; I242-L246 PolarHBondContact O-N 2.88Å; I242-F295 HydrophobicContact CG2-CE1 3.65Å; I242-F295 HydrophobicContact CG2-CZ 3.88Å
243F98.4Very high96.2Very high2 Ų251 Ų511%0.00927%0.274CS..Hα-helixtrans-74.5-34.3-175.6-57-36.7000113.1F202 L239 T240 A245 G247 P249 F266 F269 F295F202-F243 AromaticContact CE2-CZ 3.83Å; F202-F243 HydrophobicContact CE2-CZ 3.83Å; F202-F243 HydrophobicContact CZ-CE2 4.07Å; F202-F243 AromaticContact CZ-CZ 3.76Å; F202-F243 HydrophobicContact CZ-CZ 3.76Å; L239-F243 HydrophobicContact CB-CE2 4Å; L239-F243 HydrophobicContact CD2-CE2 4.06Å; L239-F243 HydrophobicContact CD2-CZ 3.74Å; L239-F243 WeakPolarHBondContact O-CD2 3.35Å; L239-F243 VanDerWaalsContact O-CG 3.3Å; L239-F243 WeakPolarHBondContact O-CG 3.18Å; L239-F243 PolarHBondContact O-N 2.9Å; T240-F243 PolarHBondContact O-N 2.97Å; F243-A245 VanDerWaalsContact C-N 3.3Å; F243-A245 PolarHBondContact O-N 3.25Å; F243-G247 CarbonylContact O-C 3.36Å; F243-G247 WeakPolarHBondContact O-CA 3.38Å; F243-G247 PolarHBondContact O-N 3.36Å; F243-P249 VanDerWaalsContact CD1-CD 3.48Å; F243-P249 HydrophobicContact CD1-CG 4.48Å; F243-P249 HydrophobicContact CE1-CG 3.85Å; F243-P249 HydrophobicContact CZ-CG 4.45Å; F243-F266 HydrophobicContact CD2-CB 4Å; F243-F266 AromaticContact CD2-CD1 3.82Å; F243-F266 HydrophobicContact CD2-CD1 3.82Å; F243-F266 HydrophobicContact CD2-CD2 4.02Å; F243-F266 HydrophobicContact CD2-CE1 4.27Å; F243-F266 HydrophobicContact CD2-CE2 4.44Å; F243-F266 AromaticContact CD2-CG 3.67Å; F243-F266 HydrophobicContact CD2-CG 3.67Å; F243-F266 HydrophobicContact CE2-CB 4.26Å; F243-F266 HydrophobicContact CE2-CD1 4.06Å; F243-F266 AromaticContact CE2-CD2 3.49Å; F243-F266 HydrophobicContact CE2-CD2 3.49Å; F243-F266 VanDerWaalsContact CE2-CD2 3.49Å; F243-F266 HydrophobicContact CE2-CE1 4.25Å; F243-F266 AromaticContact CE2-CE2 3.72Å; F243-F266 HydrophobicContact CE2-CE2 3.72Å; F243-F266 AromaticContact CE2-CG 3.67Å; F243-F266 HydrophobicContact CE2-CG 3.67Å; F243-F266 HydrophobicContact CE2-CZ 4.08Å; F243-F269 HydrophobicContact CB-CD2 3.7Å; F243-F269 HydrophobicContact CB-CE2 4.34Å; F243-F269 HydrophobicContact CB-CG 4.49Å; F243-F269 WeakPolarHBondContact O-CB 3.33Å; F243-F295 AromaticContact CD1-CE1 3.92Å; F243-F295 HydrophobicContact CD1-CE1 3.92Å; F243-F295 AromaticContact CD1-CZ 3.96Å; F243-F295 HydrophobicContact CD1-CZ 3.96Å; F243-F295 HydrophobicContact CE1-CD1 4.43Å; F243-F295 AromaticContact CE1-CE1 3.64Å; F243-F295 HydrophobicContact CE1-CE1 3.64Å; F243-F295 HydrophobicContact CE1-CZ 4.15Å
244E97.8Very high96.6Very high99 Ų9945.1 Ų45.146%0.46324%0.241SC..Hα-helixtrans-59.8-42.7171.8-76.9178.516300111.6T240 F269T240-E244 HydrophobicContact CG2-CG 4.33Å; T240-E244 WeakPolarHBondContact O-CB 3.4Å; T240-E244 WeakPolarHBondContact O-CG 3.38Å; T240-E244 PolarHBondContact O-N 2.92Å; E244-F269 HydrophobicContact CG-CD1 3.72Å; E244-F269 HydrophobicContact CG-CD2 4.46Å; E244-F269 HydrophobicContact CG-CE1 3.46Å; E244-F269 VanDerWaalsContact CG-CE1 3.46Å; E244-F269 HydrophobicContact CG-CE2 4.26Å; E244-F269 HydrophobicContact CG-CG 4.22Å; E244-F269 HydrophobicContact CG-CZ 3.75Å
245A97.9Very high96.9Very high15 Ų1546.5 Ų46.512%0.12425%0.248CC..Hα-helixtrans-76.4-48-179.500000112.9F229 L230 K241 I242 F243 T272F229-A245 HydrophobicContact CE2-CB 4.49Å; F229-A245 HydrophobicContact CZ-CB 4.1Å; L230-A245 HydrophobicContact CD2-CB 3.89Å; K241-A245 WeakPolarHBondContact O-CB 3.27Å; K241-A245 PolarHBondContact O-N 3.22Å; K241-A245 VanDerWaalsContact O-N 3.08Å; I242-A245 PolarHBondContact O-N 3.28Å; F243-A245 VanDerWaalsContact C-N 3.3Å; F243-A245 PolarHBondContact O-N 3.25Å; A245-T272 PolarHBondContact O-N 3.19Å
246L98.2Very high97Very high32 Ų3246.3 Ų46.317%0.16826%0.256CS..Hα-helixtrans-109-4-166.6-58.2175.1000114.1W214 F229 I242 L274 F293 F295W214-L246 HydrophobicContact CH2-CD1 3.62Å; W214-L246 HydrophobicContact CZ2-CD1 4.12Å; W214-L246 HydrophobicContact CZ3-CD1 4.46Å; F229-L246 HydrophobicContact CE1-CD2 4.47Å; F229-L246 HydrophobicContact CZ-CD2 4.34Å; I242-L246 HydrophobicContact CG2-CD1 4.43Å; I242-L246 WeakPolarHBondContact O-CB 3.35Å; I242-L246 PolarHBondContact O-N 2.88Å; L246-L274 HydrophobicContact CD2-CD2 3.75Å; L246-F293 HydrophobicContact CD1-CB 4.03Å; L246-F293 HydrophobicContact CD1-CD1 3.85Å; L246-F293 HydrophobicContact CD1-CE1 4.46Å; L246-F293 HydrophobicContact CD1-CG 3.93Å; L246-F293 HydrophobicContact CD2-CD2 4.42Å; L246-F293 HydrophobicContact CD2-CG 4.45Å; L246-F295 HydrophobicContact CB-CE2 4.1Å; L246-F295 HydrophobicContact CB-CZ 3.97Å
247G97.9Very high97Very high7 Ų742.1 Ų42.17%0.07223%0.234CC..  trans90.3156-175.700000112.7F243 F269 G271 F295F243-G247 CarbonylContact O-C 3.36Å; F243-G247 WeakPolarHBondContact O-CA 3.38Å; F243-G247 PolarHBondContact O-N 3.36Å; G247-F269 VanDerWaalsContact CA-O 3.29Å; G247-F269 WeakPolarHBondContact CA-O 3.26Å; G247-G271 VanDerWaalsContact CA-CA 3.48Å; G247-F295 WeakPolarHBondContact O-CE2 3.25Å; G247-F295 VanDerWaalsContact O-CZ 3.26Å; G247-F295 WeakPolarHBondContact O-CZ 3.38Å
248T98.1Very high97Very high29 Ų2943.2 Ų43.218%0.17824%0.243CC..  trans-80.3122.5175.1-52.20000109.2K267 F269T248-K267 PolarHBondContact OG1-O 2.88Å; T248-F269 PolarHBondContact N-O 3.41Å; T248-F269 WeakPolarHBondContact OG1-CD2 3.36Å; T248-F269 PolarHBondContact OG1-N 3.22Å
249P97.3Very high96.9Very high8 Ų848.1 Ų48.15%0.05228%0.277CS..  trans-63.3149176.925.8-32.5000110.8F243 W254 M257 F295F243-P249 VanDerWaalsContact CD1-CD 3.48Å; F243-P249 HydrophobicContact CD1-CG 4.48Å; F243-P249 HydrophobicContact CE1-CG 3.85Å; F243-P249 HydrophobicContact CZ-CG 4.45Å; P249-W254 HydrophobicContact CB-CB 4.21Å; P249-W254 HydrophobicContact CB-CE3 4.24Å; P249-W254 HydrophobicContact CG-CE3 3.96Å; P249-W254 HydrophobicContact CG-CZ3 4.49Å; P249-M257 HydrophobicContact CB-SD 3.92Å; P249-M257 HydrophobicContact CG-SD 3.75Å; P249-M257 WeakPolarHBondContact O-CE 3.33Å; P249-F295 HydrophobicContact CB-CB 4.01Å; P249-F295 HydrophobicContact CB-CD1 4.14Å; P249-F295 HydrophobicContact CB-CD2 4.01Å; P249-F295 HydrophobicContact CB-CG 3.79Å; P249-F295 HydrophobicContact CG-CD1 3.83Å; P249-F295 HydrophobicContact CG-CD2 4.44Å; P249-F295 HydrophobicContact CG-CE1 4.12Å; P249-F295 HydrophobicContact CG-CG 4.02Å
250T96Very high96.8Very high69 Ų6949.5 Ų49.542%0.42328%0.284SS..  trans-106.7165.8171.167.40000110.2E252 T253 W254T250-E252 PolarHBondContact O-N 2.75Å; T250-E252 VanDerWaalsContact O-N 3.12Å; T250-E252 PolarHBondContact OG1-N 3.14Å; T250-T253 PolarHBondContact N-OG1 2.87Å; T250-T253 PolarHBondContact O-N 3.04Å; T250-T253 PolarHBondContact O-OG1 3.3Å; T250-T253 PolarHBondContact OG1-N 2.94Å; T250-T253 PolarHBondContact OG1-OG1 2.79Å; T250-W254 PolarHBondContact O-N 3.43Å
251E94.9Very high96.6Very high80 Ų8051.1 Ų51.137%0.37430%0.295SS..THydrogen-bonded Turntrans-59.9-18.6171.8-77.1-67.6155.100113.3P255 G256 T258E251-P255 VanDerWaalsContact O-CA 3.24Å; E251-P255 WeakPolarHBondContact O-CA 3.12Å; E251-P255 WeakPolarHBondContact O-CG 3.5Å; E251-G256 PolarHBondContact OE2-N 3.32Å; E251-T258 HydrophobicContact CG-CG2 4.46Å; E251-T258 VanDerWaalsContact OE1-CB 3.29Å; E251-T258 WeakPolarHBondContact OE1-CB 3.42Å; E251-T258 WeakPolarHBondContact OE1-CG2 3.4Å; E251-T258 PolarHBondContact OE1-N 2.82Å; E251-T258 PolarHBondContact OE1-OG1 3.32Å
252E95.1Very high96.4Very high176 Ų17652.5 Ų52.582%0.82231%0.306SS*.THydrogen-bonded Turntrans-75.2-48171.2-176.3179.7-175.600111.1T250T250-E252 PolarHBondContact O-N 2.75Å; T250-E252 VanDerWaalsContact O-N 3.12Å; T250-E252 PolarHBondContact OG1-N 3.14Å
253T95.6Very high96.3Very high75 Ų7555.7 Ų55.746%0.4632%0.318SS..THydrogen-bonded Turntrans-76.3-28.9-178.759.80000113.5T250 N296T250-T253 PolarHBondContact N-OG1 2.87Å; T250-T253 PolarHBondContact O-N 3.04Å; T250-T253 PolarHBondContact O-OG1 3.3Å; T250-T253 PolarHBondContact OG1-N 2.94Å; T250-T253 PolarHBondContact OG1-OG1 2.79Å; T253-N296 WeakPolarHBondContact O-CB 3.27Å
254W97.4Very high96.1Very high13 Ų1358.6 Ų58.65%0.04934%0.336CS..SBendtrans-142.582.3176.7-174.36.6000110.7P198 E199 F202 P249 T250 G256 M257 L260 F295 N296 P297P198-W254 HydrophobicContact CB-CH2 4.18Å; P198-W254 HydrophobicContact CB-CZ3 3.99Å; P198-W254 HydrophobicContact CG-CH2 4.46Å; P198-W254 HydrophobicContact CG-CZ3 4.3Å; E199-W254 HydrophobicContact CB-CH2 3.91Å; E199-W254 HydrophobicContact CB-CZ2 3.71Å; F202-W254 AromaticContact CD2-CH2 3.84Å; F202-W254 HydrophobicContact CD2-CH2 3.84Å; F202-W254 AromaticContact CD2-CZ3 3.94Å; F202-W254 HydrophobicContact CD2-CZ3 3.94Å; F202-W254 HydrophobicContact CE2-CH2 4.36Å; F202-W254 AromaticContact CE2-CZ3 3.99Å; F202-W254 HydrophobicContact CE2-CZ3 3.99Å; P249-W254 HydrophobicContact CB-CB 4.21Å; P249-W254 HydrophobicContact CB-CE3 4.24Å; P249-W254 HydrophobicContact CG-CE3 3.96Å; P249-W254 HydrophobicContact CG-CZ3 4.49Å; T250-W254 PolarHBondContact O-N 3.43Å; W254-G256 PolarHBondContact O-N 3.4Å; W254-M257 HydrophobicContact CB-CB 4.28Å; W254-M257 HydrophobicContact CD2-CB 3.49Å; W254-M257 VanDerWaalsContact CD2-CB 3.49Å; W254-M257 HydrophobicContact CE3-CB 3.64Å; W254-M257 HydrophobicContact CE3-SD 4.24Å; W254-M257 HydrophobicContact CG-CB 3.78Å; W254-M257 HydrophobicContact CZ2-CB 4.43Å; W254-M257 HydrophobicContact CZ3-CB 4.18Å; W254-M257 WeakPolarHBondContact O-CB 3.16Å; W254-M257 PolarHBondContact O-N 3.35Å; W254-L260 HydrophobicContact CH2-CD1 3.57Å; W254-L260 HydrophobicContact CZ2-CD1 3.43Å; W254-L260 VanDerWaalsContact CZ2-CD1 3.43Å; W254-F295 HydrophobicContact CB-CB 4.26Å; W254-F295 HydrophobicContact CD2-CB 4.47Å; W254-F295 HydrophobicContact CE3-CB 4.14Å; W254-F295 HydrophobicContact CE3-CD1 4.4Å; W254-N296 HydrophobicContact CB-CB 4.3Å; W254-N296 HydrophobicContact CG-CB 4.28Å; W254-P297 HydrophobicContact CZ2-CG 4.34Å
255P97.1Very high95.9Very high79 Ų7958.9 Ų58.951%0.51335%0.349SS..THydrogen-bonded Turntrans-59.9133.1177.6-22.732.3000112.2E251E251-P255 VanDerWaalsContact O-CA 3.24Å; E251-P255 WeakPolarHBondContact O-CA 3.12Å; E251-P255 WeakPolarHBondContact O-CG 3.5Å
256G94.4Very high95.8Very high36 Ų3659.7 Ų59.737%0.37135%0.349SS..THydrogen-bonded Turntrans82.26.9177.900000114.8E251 W254 T258 S259E251-G256 PolarHBondContact OE2-N 3.32Å; W254-G256 PolarHBondContact O-N 3.4Å; G256-T258 PolarHBondContact O-N 3.07Å; G256-S259 WeakPolarHBondContact O-CB 3.49Å; G256-S259 PolarHBondContact O-N 3.28Å; G256-S259 VanDerWaalsContact O-N 3.12Å
257M95.6Very high95.6Very high12 Ų1265.5 Ų65.56%0.05937%0.374CS..G310 helixtrans-59.6-35.9179.671.7169.4-162.700112.4P249 W254 S259 L260 Y263P249-M257 HydrophobicContact CB-SD 3.92Å; P249-M257 HydrophobicContact CG-SD 3.75Å; P249-M257 WeakPolarHBondContact O-CE 3.33Å; W254-M257 HydrophobicContact CB-CB 4.28Å; W254-M257 HydrophobicContact CD2-CB 3.49Å; W254-M257 VanDerWaalsContact CD2-CB 3.49Å; W254-M257 HydrophobicContact CE3-CB 3.64Å; W254-M257 HydrophobicContact CE3-SD 4.24Å; W254-M257 HydrophobicContact CG-CB 3.78Å; W254-M257 HydrophobicContact CZ2-CB 4.43Å; W254-M257 HydrophobicContact CZ3-CB 4.18Å; W254-M257 WeakPolarHBondContact O-CB 3.16Å; W254-M257 PolarHBondContact O-N 3.35Å; M257-S259 PolarHBondContact O-N 2.96Å; M257-L260 WeakPolarHBondContact O-CB 3.43Å; M257-L260 WeakPolarHBondContact O-CG 3.48Å; M257-L260 PolarHBondContact O-N 3.23Å; M257-Y263 HydrophobicContact CE-CE2 4.18Å; M257-Y263 HydrophobicContact CG-CE2 4.42Å; M257-Y263 WeakPolarHBondContact O-CD2 3.36Å
258T95.9Very high95.5Very high68 Ų6872 Ų7242%0.41741%0.405SS..G310 helixtrans-69-14.9-179.252.10000113.3E251 G256 Y263E251-T258 HydrophobicContact CG-CG2 4.46Å; E251-T258 VanDerWaalsContact OE1-CB 3.29Å; E251-T258 WeakPolarHBondContact OE1-CB 3.42Å; E251-T258 WeakPolarHBondContact OE1-CG2 3.4Å; E251-T258 PolarHBondContact OE1-N 2.82Å; E251-T258 PolarHBondContact OE1-OG1 3.32Å; G256-T258 PolarHBondContact O-N 3.07Å; T258-Y263 HydrophobicContact CG2-CD1 4.48Å; T258-Y263 HydrophobicContact CG2-CE1 3.83Å; T258-Y263 HydrophobicContact CG2-CE2 4.17Å
259S95.3Very high95.5Very high103 Ų10372.2 Ų72.272%0.7240%0.403SS*.G310 helixtrans-91.42.1178.6-59.40000113.3G256 M257G256-S259 WeakPolarHBondContact O-CB 3.49Å; G256-S259 PolarHBondContact O-N 3.28Å; G256-S259 VanDerWaalsContact O-N 3.12Å; M257-S259 PolarHBondContact O-N 2.96Å
260L94.9Very high95.5Very high34 Ų3478 Ų7818%0.17844%0.441CS..SBendtrans-70.3146.8178.6-69.6171.7000111.7F202 A204 W254 M257 D262 Y263F202-L260 HydrophobicContact CB-CB 3.86Å; F202-L260 HydrophobicContact CB-CD1 3.62Å; F202-L260 HydrophobicContact CB-CG 4.37Å; F202-L260 HydrophobicContact CD2-CD1 4.02Å; F202-L260 HydrophobicContact CG-CD1 4.2Å; A204-L260 HydrophobicContact CB-CD2 3.89Å; W254-L260 HydrophobicContact CH2-CD1 3.57Å; W254-L260 HydrophobicContact CZ2-CD1 3.43Å; W254-L260 VanDerWaalsContact CZ2-CD1 3.43Å; M257-L260 WeakPolarHBondContact O-CB 3.43Å; M257-L260 WeakPolarHBondContact O-CG 3.48Å; M257-L260 PolarHBondContact O-N 3.23Å; L260-D262 VanDerWaalsContact C-N 3.31Å; L260-D262 PolarHBondContact O-N 2.95Å; L260-Y263 VanDerWaalsContact O-CB 3.32Å; L260-Y263 WeakPolarHBondContact O-CB 3.12Å; L260-Y263 PolarHBondContact O-N 3.16Å; L260-Y263 VanDerWaalsContact O-N 3.09Å
261P94.3Very high95.4Very high70 Ų7075.6 Ų75.646%0.45543%0.43SS..THydrogen-bonded Turntrans-56.2-40.8-168.3-29.738.3000115.1G203G203-P261 WeakPolarHBondContact O-CG 3.34Å
262D94.2Very high95.5Very high96 Ų9674.7 Ų74.751%0.51343%0.43SS..THydrogen-bonded Turntrans-109.525.1-177-55.3-36.6000111.1F202 G203 L260 V264F202-D262 PolarHBondContact O-N 2.75Å; G203-D262 WeakPolarHBondContact CA-OD2 3.39Å; L260-D262 VanDerWaalsContact C-N 3.31Å; L260-D262 PolarHBondContact O-N 2.95Å; D262-V264 PolarHBondContact O-N 3.39Å
263Y95.9Very high95.6Very high67 Ų6769.1 Ų69.126%0.26341%0.409SS..  trans-60.5131.8177.5178.1-95.4000111.1F202 M257 T258 L260F202-Y263 HydrophobicContact CD1-CD2 4.33Å; F202-Y263 AromaticContact CE1-CD2 3.97Å; F202-Y263 HydrophobicContact CE1-CD2 3.97Å; F202-Y263 HydrophobicContact CE2-CD2 4.36Å; F202-Y263 AromaticContact CZ-CD2 3.99Å; F202-Y263 HydrophobicContact CZ-CD2 3.99Å; F202-Y263 HydrophobicContact CZ-CE2 4.24Å; M257-Y263 HydrophobicContact CE-CE2 4.18Å; M257-Y263 HydrophobicContact CG-CE2 4.42Å; M257-Y263 WeakPolarHBondContact O-CD2 3.36Å; T258-Y263 HydrophobicContact CG2-CD1 4.48Å; T258-Y263 HydrophobicContact CG2-CE1 3.83Å; T258-Y263 HydrophobicContact CG2-CE2 4.17Å; L260-Y263 VanDerWaalsContact O-CB 3.32Å; L260-Y263 WeakPolarHBondContact O-CB 3.12Å; L260-Y263 PolarHBondContact O-N 3.16Å; L260-Y263 VanDerWaalsContact O-N 3.09Å
264V94.9Very high95.6Very high63 Ų6366.1 Ų66.138%0.38239%0.39SS..  trans-131.5145.1169.7-61.10000108.6L236 D262 F266L236-V264 HydrophobicContact CD1-CG2 3.84Å; D262-V264 PolarHBondContact O-N 3.39Å; V264-F266 HydrophobicContact CG2-CD2 4.15Å; V264-F266 HydrophobicContact CG2-CE2 3.38Å; V264-F266 HydrophobicContact CG2-CZ 3.84Å; V264-F266 WeakPolarHBondContact O-CD2 3.15Å; V264-F266 WeakPolarHBondContact O-CE2 3.3Å
265S93.6Very high95.6Very high104 Ų10470.3 Ų70.373%0.72741%0.411SS*.  trans-73.6134.8178-168.50000110.4
266F95.3Very high95.6Very high32 Ų3272.9 Ų72.914%0.1442%0.415CS..  trans-108165.6174.1-74.3-101.2000111F202 L236 L239 F243 V264F202-F266 AromaticContact CE1-CE2 3.8Å; F202-F266 HydrophobicContact CE1-CE2 3.8Å; F202-F266 HydrophobicContact CZ-CD2 4.32Å; F202-F266 AromaticContact CZ-CE2 3.91Å; F202-F266 HydrophobicContact CZ-CE2 3.91Å; L236-F266 HydrophobicContact CD1-CE1 3.92Å; L236-F266 HydrophobicContact CD1-CE2 4.48Å; L236-F266 HydrophobicContact CD1-CZ 3.56Å; L239-F266 HydrophobicContact CB-CE1 3.87Å; L239-F266 HydrophobicContact CB-CE2 4.15Å; L239-F266 HydrophobicContact CB-CZ 3.41Å; L239-F266 VanDerWaalsContact CB-CZ 3.41Å; L239-F266 HydrophobicContact CD1-CE2 4.02Å; L239-F266 HydrophobicContact CD1-CZ 3.78Å; L239-F266 HydrophobicContact CG-CZ 4.21Å; F243-F266 HydrophobicContact CD2-CB 4Å; F243-F266 AromaticContact CD2-CD1 3.82Å; F243-F266 HydrophobicContact CD2-CD1 3.82Å; F243-F266 HydrophobicContact CD2-CD2 4.02Å; F243-F266 HydrophobicContact CD2-CE1 4.27Å; F243-F266 HydrophobicContact CD2-CE2 4.44Å; F243-F266 AromaticContact CD2-CG 3.67Å; F243-F266 HydrophobicContact CD2-CG 3.67Å; F243-F266 HydrophobicContact CE2-CB 4.26Å; F243-F266 HydrophobicContact CE2-CD1 4.06Å; F243-F266 AromaticContact CE2-CD2 3.49Å; F243-F266 HydrophobicContact CE2-CD2 3.49Å; F243-F266 VanDerWaalsContact CE2-CD2 3.49Å; F243-F266 HydrophobicContact CE2-CE1 4.25Å; F243-F266 AromaticContact CE2-CE2 3.72Å; F243-F266 HydrophobicContact CE2-CE2 3.72Å; F243-F266 AromaticContact CE2-CG 3.67Å; F243-F266 HydrophobicContact CE2-CG 3.67Å; F243-F266 HydrophobicContact CE2-CZ 4.08Å; V264-F266 HydrophobicContact CG2-CD2 4.15Å; V264-F266 HydrophobicContact CG2-CE2 3.38Å; V264-F266 HydrophobicContact CG2-CZ 3.84Å; V264-F266 WeakPolarHBondContact O-CD2 3.15Å; V264-F266 WeakPolarHBondContact O-CE2 3.3Å
267K94.5Very high95.8Very high155 Ų15572.9 Ų72.967%0.67441%0.406SS*.  trans-58.5145.8161.8-179.3-180174.3-1730109T248 F269T248-K267 PolarHBondContact OG1-O 2.88Å; K267-F269 HydrophobicContact CB-CE2 3.91Å; K267-F269 HydrophobicContact CB-CZ 3.99Å; K267-F269 HydrophobicContact CD-CE1 4.07Å; K267-F269 HydrophobicContact CD-CZ 4.12Å; K267-F269 HydrophobicContact CG-CZ 4.36Å; K267-F269 WeakPolarHBondContact O-CD2 3.47Å; K267-F269 WeakPolarHBondContact O-CE2 3.43Å; K267-F269 PolarHBondContact O-N 3.12Å
268I96.3Very high95.8Very high142 Ų14272.6 Ų72.673%0.72841%0.405SS*.  trans-76.5115.9171.8-59.2174.5000108.1
269F97.4Very high95.7Very high34 Ų3474.6 Ų74.615%0.14942%0.422CS..  trans-103.3134.5172-63.2-81.2000108.6F243 E244 G247 T248 K267 G271F243-F269 HydrophobicContact CB-CD2 3.7Å; F243-F269 HydrophobicContact CB-CE2 4.34Å; F243-F269 HydrophobicContact CB-CG 4.49Å; F243-F269 WeakPolarHBondContact O-CB 3.33Å; E244-F269 HydrophobicContact CG-CD1 3.72Å; E244-F269 HydrophobicContact CG-CD2 4.46Å; E244-F269 HydrophobicContact CG-CE1 3.46Å; E244-F269 VanDerWaalsContact CG-CE1 3.46Å; E244-F269 HydrophobicContact CG-CE2 4.26Å; E244-F269 HydrophobicContact CG-CG 4.22Å; E244-F269 HydrophobicContact CG-CZ 3.75Å; G247-F269 VanDerWaalsContact CA-O 3.29Å; G247-F269 WeakPolarHBondContact CA-O 3.26Å; T248-F269 PolarHBondContact N-O 3.41Å; T248-F269 WeakPolarHBondContact OG1-CD2 3.36Å; T248-F269 PolarHBondContact OG1-N 3.22Å; K267-F269 HydrophobicContact CB-CE2 3.91Å; K267-F269 HydrophobicContact CB-CZ 3.99Å; K267-F269 HydrophobicContact CD-CE1 4.07Å; K267-F269 HydrophobicContact CD-CZ 4.12Å; K267-F269 HydrophobicContact CG-CZ 4.36Å; K267-F269 WeakPolarHBondContact O-CD2 3.47Å; K267-F269 WeakPolarHBondContact O-CE2 3.43Å; K267-F269 PolarHBondContact O-N 3.12Å; F269-G271 PolarHBondContact O-N 3.21Å
270P95.9Very high95.4Very high129 Ų12974.4 Ų74.484%0.83843%0.426SS*.  trans-70-18.4177.929.2-35000112.9
271G95Very high95.4Very high19 Ų1973.5 Ų73.520%0.19642%0.424CS..  trans75.7164.7-170.100000112.4G247 F269G247-G271 VanDerWaalsContact CA-CA 3.48Å; F269-G271 PolarHBondContact O-N 3.21Å
272T96.6Very high95.5Very high62 Ų6272 Ų7238%0.3842%0.421SS..  trans-106.6128.6172.6-57.40000108.2A245 L274 H276 I277A245-T272 PolarHBondContact O-N 3.19Å; T272-L274 PolarHBondContact O-N 3Å; T272-H276 HydrophobicContact CG2-CB 3.9Å; T272-I277 HydrophobicContact CG2-CD1 4.34Å; T272-I277 HydrophobicContact CG2-CG1 3.68Å
273P97Very high95.7Very high59 Ų5973.6 Ų73.638%0.38343%0.43SS..  trans-53137.8174.4-25.934000111.6E275 H276 I277P273-E275 VanDerWaalsContact CB-CD 3.42Å; P273-E275 HydrophobicContact CB-CG 4.21Å; P273-E275 WeakPolarHBondContact CB-OE1 3.44Å; P273-E275 WeakPolarHBondContact CB-OE2 3.38Å; P273-E275 PolarHBondContact O-N 3.41Å; P273-H276 WeakPolarHBondContact O-CB 3.34Å; P273-H276 PolarHBondContact O-N 3.42Å; P273-I277 PolarHBondContact O-N 3.3Å
274L97.3Very high95.8Very high12 Ų1271.7 Ų71.76%0.06342%0.424CS..Hα-helixtrans-62-32.5-172.8-64.9-177.7000112L246 T272 H276 I277 F278 L286 L289 Q290L246-L274 HydrophobicContact CD2-CD2 3.75Å; T272-L274 PolarHBondContact O-N 3Å; L274-H276 PolarHBondContact O-N 3.42Å; L274-I277 HydrophobicContact CD2-CD1 4.27Å; L274-I277 PolarHBondContact O-N 2.91Å; L274-F278 HydrophobicContact CB-CD2 4.32Å; L274-F278 HydrophobicContact CD2-CD2 4.49Å; L274-F278 HydrophobicContact CD2-CE2 4.08Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å; L274-F278 PolarHBondContact O-N 3.1Å; L274-L286 HydrophobicContact CB-CD2 3.87Å; L274-L289 HydrophobicContact CD1-CB 3.93Å; L274-Q290 HydrophobicContact CD1-CB 4.09Å
275E96.9Very high96Very high101 Ų10169.1 Ų69.147%0.47241%0.408SS..Hα-helixtrans-62.1-26.2174.462.9-90.4-152.900113.3P273 S279 L286P273-E275 VanDerWaalsContact CB-CD 3.42Å; P273-E275 HydrophobicContact CB-CG 4.21Å; P273-E275 WeakPolarHBondContact CB-OE1 3.44Å; P273-E275 WeakPolarHBondContact CB-OE2 3.38Å; P273-E275 PolarHBondContact O-N 3.41Å; E275-S279 VanDerWaalsContact O-CA 3.31Å; E275-S279 WeakPolarHBondContact O-CA 3.43Å; E275-S279 PolarHBondContact O-N 3.14Å; E275-L286 HydrophobicContact CB-CD1 3.81Å
276H97Very high96.2Very high132 Ų13265.2 Ų65.261%0.61138%0.379SS*.Hα-helixtrans-83.5-32.4175.5-62.6164.8000111.9T272 P273 L274T272-H276 HydrophobicContact CG2-CB 3.9Å; P273-H276 WeakPolarHBondContact O-CB 3.34Å; P273-H276 PolarHBondContact O-N 3.42Å; L274-H276 PolarHBondContact O-N 3.42Å
277I97.3Very high96.4Very high36 Ų3667.4 Ų67.419%0.18539%0.389CS..Hα-helixtrans-72.5-45.5175.3-55.4179.7000110F229 T272 P273 L274F229-I277 HydrophobicContact CD2-CG2 4.5Å; F229-I277 HydrophobicContact CE2-CD1 4.34Å; F229-I277 HydrophobicContact CE2-CG2 3.67Å; F229-I277 HydrophobicContact CZ-CD1 4.14Å; F229-I277 HydrophobicContact CZ-CG2 4.27Å; T272-I277 HydrophobicContact CG2-CD1 4.34Å; T272-I277 HydrophobicContact CG2-CG1 3.68Å; P273-I277 PolarHBondContact O-N 3.3Å; L274-I277 HydrophobicContact CD2-CD1 4.27Å; L274-I277 PolarHBondContact O-N 2.91Å
278F96.9Very high96.6Very high7 Ų760 Ų603%0.03136%0.357CS..SBendtrans-113.463.6-175.1-51.8-70.3000110.3A221 L224 L225 F229 L274 A280 A281 L286 L289A221-F278 HydrophobicContact CB-CE1 3.62Å; A221-F278 HydrophobicContact CB-CZ 3.48Å; A221-F278 VanDerWaalsContact CB-CZ 3.48Å; L224-F278 HydrophobicContact CB-CD1 4.06Å; L224-F278 HydrophobicContact CD1-CB 4.49Å; L224-F278 HydrophobicContact CD1-CD1 3.79Å; L224-F278 HydrophobicContact CD1-CE1 4.29Å; L224-F278 HydrophobicContact CD1-CG 4.2Å; L225-F278 HydrophobicContact CD1-CE1 3.8Å; L225-F278 HydrophobicContact CD2-CD1 4.19Å; L225-F278 HydrophobicContact CD2-CE1 4.26Å; L225-F278 HydrophobicContact CG-CD1 4.2Å; L225-F278 HydrophobicContact CG-CE1 3.86Å; F229-F278 HydrophobicContact CD2-CZ 4.37Å; F229-F278 HydrophobicContact CE1-CZ 4.35Å; F229-F278 HydrophobicContact CE2-CZ 4.1Å; F229-F278 HydrophobicContact CZ-CZ 4.09Å; L274-F278 HydrophobicContact CB-CD2 4.32Å; L274-F278 HydrophobicContact CD2-CD2 4.49Å; L274-F278 HydrophobicContact CD2-CE2 4.08Å; L274-F278 WeakPolarHBondContact O-CD2 3.39Å; L274-F278 PolarHBondContact O-N 3.1Å; F278-A280 PolarHBondContact O-N 3.37Å; F278-A281 HydrophobicContact CB-CB 3.82Å; F278-A281 VanDerWaalsContact O-CB 3.25Å; F278-A281 WeakPolarHBondContact O-CB 3.42Å; F278-A281 PolarHBondContact O-N 3.2Å; F278-L286 HydrophobicContact CB-CD2 4.37Å; F278-L289 HydrophobicContact CD2-CD1 3.64Å; F278-L289 HydrophobicContact CE2-CD1 3.95Å; F278-L289 HydrophobicContact CE2-CD2 4.36Å; F278-L289 HydrophobicContact CG-CD1 4.07Å
279S93.6Very high96.7Very high110 Ų11053.3 Ų53.377%0.76932%0.323SS*.THydrogen-bonded Turntrans-59.6-19.4-173.259.50000115.7E275E275-S279 VanDerWaalsContact O-CA 3.31Å; E275-S279 WeakPolarHBondContact O-CA 3.43Å; E275-S279 PolarHBondContact O-N 3.14Å
280A89.7Confident96.8Very high98 Ų9857.1 Ų57.181%0.8134%0.341SS*.THydrogen-bonded Turntrans-94.9-0.9175.600000113.8F278F278-A280 PolarHBondContact O-N 3.37Å
281A95Very high96.9Very high16 Ų1651.4 Ų51.413%0.13231%0.305CS..  trans-82.3134.8179.200000111.1F278 L285 L286F278-A281 HydrophobicContact CB-CB 3.82Å; F278-A281 VanDerWaalsContact O-CB 3.25Å; F278-A281 WeakPolarHBondContact O-CB 3.42Å; F278-A281 PolarHBondContact O-N 3.2Å; A281-L285 HydrophobicContact CB-CB 4.29Å; A281-L285 HydrophobicContact CB-CD2 3.69Å; A281-L285 HydrophobicContact CB-CG 3.99Å; A281-L286 HydrophobicContact CB-CD2 3.88Å; A281-L286 HydrophobicContact CB-CG 4.03Å
282G96.6Very high97.1Very high38 Ų3850.5 Ų50.539%0.39230%0.296SS..  trans-77.2164.5169.700000112.2D284 L285 L286G282-D284 VanDerWaalsContact C-N 3.25Å; G282-D284 PolarHBondContact O-N 2.91Å; G282-L285 WeakPolarHBondContact O-CB 3.43Å; G282-L285 PolarHBondContact O-N 2.98Å; G282-L286 PolarHBondContact O-N 3.09Å
283D97.9Very high97.2Very high130 Ų13047.9 Ų47.970%0.69528%0.28SS*.Hα-helixtrans-55.9-35.9-175.4-61.1-20.2000113.9L286 E287D283-L286 PolarHBondContact O-N 3Å; D283-E287 WeakPolarHBondContact O-CB 3.25Å; D283-E287 PolarHBondContact O-N 3.4Å
284D98.2Very high97.3Very high26 Ų2646.7 Ų46.714%0.13927%0.271CS..Hα-helixtrans-70.1-33.8179.259.6-5.8000113G282 L288 R310 N314G282-D284 VanDerWaalsContact C-N 3.25Å; G282-D284 PolarHBondContact O-N 2.91Å; D284-L288 PolarHBondContact O-N 3.49Å; D284-R310 HydrophobicContact CB-CB 4.27Å; D284-N314 VanDerWaalsContact OD2-CB 3.26Å; D284-N314 WeakPolarHBondContact OD2-CB 3.37Å; D284-N314 PolarHBondContact OD2-ND2 3.37Å
285L98.5Very high97.3Very high10 Ų1047.1 Ų47.15%0.05227%0.273CS..Hα-helixtrans-72.1-40.5171.9178.153.7000111.5L220 L224 A281 G282 E287 L288 L289 Y311L220-L285 HydrophobicContact CD1-CD1 3.98Å; L220-L285 HydrophobicContact CD2-CD1 3.75Å; L220-L285 HydrophobicContact CG-CD1 4.22Å; L224-L285 HydrophobicContact CD1-CD2 4.06Å; L224-L285 HydrophobicContact CD2-CD2 3.85Å; A281-L285 HydrophobicContact CB-CB 4.29Å; A281-L285 HydrophobicContact CB-CD2 3.69Å; A281-L285 HydrophobicContact CB-CG 3.99Å; G282-L285 WeakPolarHBondContact O-CB 3.43Å; G282-L285 PolarHBondContact O-N 2.98Å; L285-E287 VanDerWaalsContact C-N 3.3Å; L285-E287 PolarHBondContact O-N 3.14Å; L285-L288 WeakPolarHBondContact O-CB 3.28Å; L285-L288 PolarHBondContact O-N 2.57Å; L285-L289 HydrophobicContact CD1-CD1 4.44Å; L285-L289 HydrophobicContact CG-CD1 4.25Å; L285-L289 PolarHBondContact O-N 2.89Å; L285-Y311 HydrophobicContact CB-CD2 3.7Å; L285-Y311 HydrophobicContact CB-CE2 3.63Å; L285-Y311 HydrophobicContact CD1-CD2 4.16Å; L285-Y311 HydrophobicContact CD1-CE1 4.26Å; L285-Y311 HydrophobicContact CD1-CE2 3.72Å; L285-Y311 HydrophobicContact CD2-CE2 4.15Å; L285-Y311 HydrophobicContact CG-CD2 4.46Å; L285-Y311 HydrophobicContact CG-CE2 4.03Å
286L98.6Very high97.4Very high22 Ų2243.4 Ų43.412%0.11526%0.256CS..Hα-helixtrans-62.1-39.9174.8-68.2173.3000111.3L274 E275 F278 A281 G282 D283 L288 L289 Q290L274-L286 HydrophobicContact CB-CD2 3.87Å; E275-L286 HydrophobicContact CB-CD1 3.81Å; F278-L286 HydrophobicContact CB-CD2 4.37Å; A281-L286 HydrophobicContact CB-CD2 3.88Å; A281-L286 HydrophobicContact CB-CG 4.03Å; G282-L286 PolarHBondContact O-N 3.09Å; D283-L286 PolarHBondContact O-N 3Å; L286-L288 VanDerWaalsContact C-N 3.35Å; L286-L288 PolarHBondContact O-N 2.9Å; L286-L289 HydrophobicContact CD2-CD1 4.49Å; L286-L289 PolarHBondContact O-N 3.28Å; L286-Q290 WeakPolarHBondContact O-CB 3.33Å; L286-Q290 PolarHBondContact O-N 3.06Å
287E98.6Very high97.3Very high78 Ų7838.8 Ų38.836%0.36424%0.238SC..Hα-helixtrans-58.9-45.3173.4-166-170.5155.700111.4D283 L285 Q290 G291 M309 R310D283-E287 WeakPolarHBondContact O-CB 3.25Å; D283-E287 PolarHBondContact O-N 3.4Å; L285-E287 VanDerWaalsContact C-N 3.3Å; L285-E287 PolarHBondContact O-N 3.14Å; E287-Q290 PolarHBondContact O-N 3.02Å; E287-G291 PolarHBondContact O-N 2.71Å; E287-G291 VanDerWaalsContact O-N 3.08Å; E287-M309 HydrophobicContact CB-CE 4.07Å; E287-M309 HydrophobicContact CG-CE 3.59Å; E287-M309 WeakPolarHBondContact O-CE 3.42Å; E287-R310 IonicContact OE2-CZ 3.78Å; E287-R310 IonicContact OE2-NE 3.86Å; E287-R310 PolarHBondContact OE2-NE 3.38Å; E287-R310 VanDerWaalsContact OE2-NE 3.08Å; E287-R310 IonicContact OE2-NH2 3.64Å; E287-R310 PolarHBondContact OE2-NH2 3.02Å
288L98.8Very high97.3Very high0 Ų042.3 Ų42.30%027%0.265CS..Hα-helixtrans-61.1-47.6175.4176.162.4000111.5L220 D284 L285 L286 Q290 G291 L292 A306 M309 Y311 F312L220-L288 HydrophobicContact CD2-CD2 3.92Å; L220-L288 HydrophobicContact CD2-CG 4.27Å; D284-L288 PolarHBondContact O-N 3.49Å; L285-L288 WeakPolarHBondContact O-CB 3.28Å; L285-L288 PolarHBondContact O-N 2.57Å; L286-L288 VanDerWaalsContact C-N 3.35Å; L286-L288 PolarHBondContact O-N 2.9Å; L288-Q290 VanDerWaalsContact C-N 3.35Å; L288-Q290 PolarHBondContact O-N 3.21Å; L288-G291 PolarHBondContact O-N 3.46Å; L288-L292 HydrophobicContact CD1-CD1 3.98Å; L288-L292 HydrophobicContact CD1-CG 4.14Å; L288-L292 HydrophobicContact CG-CD1 3.91Å; L288-L292 HydrophobicContact CG-CG 4.46Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 3.42Å; L288-A306 HydrophobicContact CD1-CB 3.86Å; L288-M309 HydrophobicContact CB-CE 4.27Å; L288-M309 HydrophobicContact CB-SD 4.3Å; L288-M309 HydrophobicContact CD1-SD 3.64Å; L288-Y311 HydrophobicContact CD2-CD1 3.61Å; L288-Y311 HydrophobicContact CD2-CE1 4.12Å; L288-Y311 HydrophobicContact CD2-CG 4.18Å; L288-F312 HydrophobicContact CD1-CE2 4.49Å; L288-F312 HydrophobicContact CD2-CE2 3.93Å; L288-F312 HydrophobicContact CD2-CZ 3.92Å
289L98.7Very high97.3Very high0 Ų046.2 Ų46.20%029%0.29CS..Hα-helixtrans-59.9-43.3178-77.5162.3000112L220 L224 L274 F278 L285 L286 G291 L292 F293L220-L289 HydrophobicContact CB-CD2 4.41Å; L220-L289 HydrophobicContact CD2-CD2 3.86Å; L220-L289 HydrophobicContact CD2-CG 4.06Å; L220-L289 HydrophobicContact CG-CD2 3.93Å; L220-L289 HydrophobicContact CG-CG 4.46Å; L224-L289 HydrophobicContact CD1-CD1 4.04Å; L274-L289 HydrophobicContact CD1-CB 3.93Å; F278-L289 HydrophobicContact CD2-CD1 3.64Å; F278-L289 HydrophobicContact CE2-CD1 3.95Å; F278-L289 HydrophobicContact CE2-CD2 4.36Å; F278-L289 HydrophobicContact CG-CD1 4.07Å; L285-L289 HydrophobicContact CD1-CD1 4.44Å; L285-L289 HydrophobicContact CG-CD1 4.25Å; L285-L289 PolarHBondContact O-N 2.89Å; L286-L289 HydrophobicContact CD2-CD1 4.49Å; L286-L289 PolarHBondContact O-N 3.28Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-G291 PolarHBondContact O-N 2.92Å; L289-L292 PolarHBondContact O-N 2.9Å; L289-F293 HydrophobicContact CD2-CD2 4.26Å; L289-F293 HydrophobicContact CD2-CE2 3.76Å; L289-F293 WeakPolarHBondContact O-CB 3.28Å; L289-F293 WeakPolarHBondContact O-CD2 3.39Å; L289-F293 PolarHBondContact O-N 3.49Å
290Q98.4Very high97.5Very high114 Ų11441.2 Ų41.253%0.53325%0.254SS..Hα-helixtrans-59.7-42.4176.6-173.263.339.200111.7L274 L286 E287 L288 T294L274-Q290 HydrophobicContact CD1-CB 4.09Å; L286-Q290 WeakPolarHBondContact O-CB 3.33Å; L286-Q290 PolarHBondContact O-N 3.06Å; E287-Q290 PolarHBondContact O-N 3.02Å; L288-Q290 VanDerWaalsContact C-N 3.35Å; L288-Q290 PolarHBondContact O-N 3.21Å; Q290-T294 PolarHBondContact O-N 3.13Å; Q290-T294 PolarHBondContact O-OG1 3.44Å
291G98.7Very high97.9Very high9 Ų937.6 Ų37.69%0.09322%0.222CC..Hα-helixtrans-65.2-38.6176.700000113.6E287 L288 L289 T294 T301E287-G291 PolarHBondContact O-N 2.71Å; E287-G291 VanDerWaalsContact O-N 3.08Å; L288-G291 PolarHBondContact O-N 3.46Å; L289-G291 VanDerWaalsContact C-N 3.31Å; L289-G291 PolarHBondContact O-N 2.92Å; G291-T294 PolarHBondContact O-OG1 3.04Å; G291-T301 WeakPolarHBondContact CA-OG1 3.38Å; G291-T301 WeakPolarHBondContact O-CB 3.26Å; G291-T301 PolarHBondContact O-N 3.36Å; G291-T301 PolarHBondContact O-OG1 3.12Å
292L98.8Very high98.1Very high0 Ų038.9 Ų38.90%023%0.229CC..Hα-helixtrans-73.8-36.3178.9-65.5171000112.4M213 V216 L220 L288 L289 R300M213-L292 HydrophobicContact CB-CD2 4.28Å; M213-L292 HydrophobicContact CE-CD2 3.5Å; M213-L292 VanDerWaalsContact CE-CD2 3.5Å; V216-L292 HydrophobicContact CG1-CD1 4.16Å; V216-L292 HydrophobicContact CG1-CD2 4.44Å; L220-L292 HydrophobicContact CD2-CD1 4.11Å; L288-L292 HydrophobicContact CD1-CD1 3.98Å; L288-L292 HydrophobicContact CD1-CG 4.14Å; L288-L292 HydrophobicContact CG-CD1 3.91Å; L288-L292 HydrophobicContact CG-CG 4.46Å; L288-L292 VanDerWaalsContact O-CG 3.28Å; L288-L292 WeakPolarHBondContact O-CG 3.4Å; L288-L292 PolarHBondContact O-N 3.42Å; L289-L292 PolarHBondContact O-N 2.9Å; L292-R300 VanDerWaalsContact O-CD 3.3Å; L292-R300 WeakPolarHBondContact O-CD 3.24Å; L292-R300 WeakPolarHBondContact O-CG 3.37Å
293F98.8Very high98.2Very high8 Ų837.1 Ų37.14%0.03521%0.21CC..THydrogen-bonded Turntrans-91.913.9179.5-70.9-52.2000114.7W214 G217 A221 F229 L246 L289 F295W214-F293 HydrophobicContact CD2-CD1 4.18Å; W214-F293 HydrophobicContact CE3-CD1 4.03Å; W214-F293 AromaticContact CH2-CD1 3.96Å; W214-F293 HydrophobicContact CH2-CD1 3.96Å; W214-F293 HydrophobicContact CZ2-CD1 4.08Å; W214-F293 HydrophobicContact CZ2-CE1 4.41Å; W214-F293 HydrophobicContact CZ3-CB 4.34Å; W214-F293 AromaticContact CZ3-CD1 3.93Å; W214-F293 HydrophobicContact CZ3-CD1 3.93Å; G217-F293 WeakPolarHBondContact O-CZ 3.45Å; A221-F293 HydrophobicContact CB-CE2 4.47Å; A221-F293 HydrophobicContact CB-CZ 4.27Å; F229-F293 HydrophobicContact CD1-CE1 4.5Å; F229-F293 HydrophobicContact CD1-CE2 4.4Å; F229-F293 AromaticContact CD1-CZ 3.8Å; F229-F293 HydrophobicContact CD1-CZ 3.8Å; F229-F293 HydrophobicContact CE1-CE1 4.33Å; F229-F293 AromaticContact CE1-CE2 3.96Å; F229-F293 HydrophobicContact CE1-CE2 3.96Å; F229-F293 AromaticContact CE1-CZ 3.69Å; F229-F293 HydrophobicContact CE1-CZ 3.69Å; L246-F293 HydrophobicContact CD1-CB 4.03Å; L246-F293 HydrophobicContact CD1-CD1 3.85Å; L246-F293 HydrophobicContact CD1-CE1 4.46Å; L246-F293 HydrophobicContact CD1-CG 3.93Å; L246-F293 HydrophobicContact CD2-CD2 4.42Å; L246-F293 HydrophobicContact CD2-CG 4.45Å; L289-F293 HydrophobicContact CD2-CD2 4.26Å; L289-F293 HydrophobicContact CD2-CE2 3.76Å; L289-F293 WeakPolarHBondContact O-CB 3.28Å; L289-F293 WeakPolarHBondContact O-CD2 3.39Å; L289-F293 PolarHBondContact O-N 3.49Å; F293-F295 PolarHBondContact O-N 3.36Å
294T98.6Very high98.3Very high34 Ų3433 Ų3321%0.20919%0.19CC..  trans-62.4122.1171.9-66.20000110.4Q290 G291 T299 R300Q290-T294 PolarHBondContact O-N 3.13Å; Q290-T294 PolarHBondContact O-OG1 3.44Å; G291-T294 PolarHBondContact O-OG1 3.04Å; T294-T299 WeakPolarHBondContact CG2-OG1 3.5Å; T294-R300 PolarHBondContact O-NE 3.3Å; T294-R300 PolarHBondContact O-NH2 2.77Å
295F98.4Very high98.3Very high21 Ų2137 Ų379%0.09221%0.207CC..SBendtrans-61.7-50-175.2-81.7-76.9000113P198 W214 I242 F243 L246 G247 P249 W254 F293 P297 R300P198-F295 HydrophobicContact CB-CD1 4.26Å; P198-F295 HydrophobicContact CB-CE1 4.37Å; P198-F295 HydrophobicContact CG-CD1 3.76Å; P198-F295 HydrophobicContact CG-CE1 4.12Å; W214-F295 HydrophobicContact CH2-CE1 4.18Å; I242-F295 HydrophobicContact CG2-CE1 3.65Å; I242-F295 HydrophobicContact CG2-CZ 3.88Å; F243-F295 AromaticContact CD1-CE1 3.92Å; F243-F295 HydrophobicContact CD1-CE1 3.92Å; F243-F295 AromaticContact CD1-CZ 3.96Å; F243-F295 HydrophobicContact CD1-CZ 3.96Å; F243-F295 HydrophobicContact CE1-CD1 4.43Å; F243-F295 AromaticContact CE1-CE1 3.64Å; F243-F295 HydrophobicContact CE1-CE1 3.64Å; F243-F295 HydrophobicContact CE1-CZ 4.15Å; L246-F295 HydrophobicContact CB-CE2 4.1Å; L246-F295 HydrophobicContact CB-CZ 3.97Å; G247-F295 WeakPolarHBondContact O-CE2 3.25Å; G247-F295 VanDerWaalsContact O-CZ 3.26Å; G247-F295 WeakPolarHBondContact O-CZ 3.38Å; P249-F295 HydrophobicContact CB-CB 4.01Å; P249-F295 HydrophobicContact CB-CD1 4.14Å; P249-F295 HydrophobicContact CB-CD2 4.01Å; P249-F295 HydrophobicContact CB-CG 3.79Å; P249-F295 HydrophobicContact CG-CD1 3.83Å; P249-F295 HydrophobicContact CG-CD2 4.44Å; P249-F295 HydrophobicContact CG-CE1 4.12Å; P249-F295 HydrophobicContact CG-CG 4.02Å; W254-F295 HydrophobicContact CB-CB 4.26Å; W254-F295 HydrophobicContact CD2-CB 4.47Å; W254-F295 HydrophobicContact CE3-CB 4.14Å; W254-F295 HydrophobicContact CE3-CD1 4.4Å; F293-F295 PolarHBondContact O-N 3.36Å; F295-P297 WeakPolarHBondContact O-CD 3.45Å; F295-P297 VanDerWaalsContact O-N 3.11Å; F295-R300 PolarHBondContact O-NH2 3.22Å
296N98.1Very high98.3Very high23 Ų2336.5 Ų36.512%0.12321%0.205CC..SBendtrans-62.9112.5178.2-178.1-7.7000110.6T253 W254 S298 T299 R300T253-N296 WeakPolarHBondContact O-CB 3.27Å; W254-N296 HydrophobicContact CB-CB 4.3Å; W254-N296 HydrophobicContact CG-CB 4.28Å; N296-S298 PolarHBondContact O-N 2.98Å; N296-S298 VanDerWaalsContact O-N 3.08Å; N296-S298 WeakPolarHBondContact OD1-CB 3.27Å; N296-S298 PolarHBondContact OD1-N 2.93Å; N296-S298 PolarHBondContact OD1-OG 2.74Å; N296-T299 WeakPolarHBondContact CB-OG1 3.36Å; N296-T299 PolarHBondContact O-N 2.52Å; N296-T299 VanDerWaalsContact O-N 3.15Å; N296-T299 PolarHBondContact O-OG1 2.78Å; N296-R300 PolarHBondContact O-N 3.32Å
297P96.3Very high98.3Very high34 Ų3437 Ų3722%0.22121%0.207CC..THydrogen-bonded Turntrans-63.6-21.2-175.9-21.734000113.5E199 W254 F295E199-P297 HydrophobicContact CB-CG 3.94Å; E199-P297 HydrophobicContact CG-CB 4.49Å; E199-P297 HydrophobicContact CG-CG 3.75Å; W254-P297 HydrophobicContact CZ2-CG 4.34Å; F295-P297 WeakPolarHBondContact O-CD 3.45Å; F295-P297 VanDerWaalsContact O-N 3.11Å
298S95.3Very high98.3Very high110 Ų11041.1 Ų41.177%0.76922%0.224SC*.THydrogen-bonded Turntrans-78.6-24.1-178.7-49.70000113N296N296-S298 PolarHBondContact O-N 2.98Å; N296-S298 VanDerWaalsContact O-N 3.08Å; N296-S298 WeakPolarHBondContact OD1-CB 3.27Å; N296-S298 PolarHBondContact OD1-N 2.93Å; N296-S298 PolarHBondContact OD1-OG 2.74Å
299T97.3Very high98.3Very high89 Ų8942.4 Ų42.455%0.54623%0.231SC..THydrogen-bonded Turntrans-110.6-3.7178.659.10000112.4T294 N296T294-T299 WeakPolarHBondContact CG2-OG1 3.5Å; N296-T299 WeakPolarHBondContact CB-OG1 3.36Å; N296-T299 PolarHBondContact O-N 2.52Å; N296-T299 VanDerWaalsContact O-N 3.15Å; N296-T299 PolarHBondContact O-OG1 2.78Å
300R98.6Very high98.3Very high6 Ų648.9 Ų48.92%0.02326%0.255CS..SBendtrans-60.6137.6173.7-168179.9-61.6150.76110.3E199 G210 M213 L292 T294 F295 N296 T302E199-R300 IonicContact OE1-CZ 3.08Å; E199-R300 IonicContact OE1-NH1 2.65Å; E199-R300 PolarHBondContact OE1-NH1 2.83Å; E199-R300 IonicContact OE1-NH2 2.72Å; E199-R300 IonicContact OE2-CZ 2.86Å; E199-R300 IonicContact OE2-NH1 2.8Å; E199-R300 PolarHBondContact OE2-NH1 3.3Å; E199-R300 IonicContact OE2-NH2 2.76Å; E199-R300 PolarHBondContact OE2-NH2 3.06Å; G210-R300 WeakPolarHBondContact O-CD 3.12Å; G210-R300 PolarHBondContact O-NH1 2.79Å; M213-R300 HydrophobicContact CB-CG 4.48Å; L292-R300 VanDerWaalsContact O-CD 3.3Å; L292-R300 WeakPolarHBondContact O-CD 3.24Å; L292-R300 WeakPolarHBondContact O-CG 3.37Å; T294-R300 PolarHBondContact O-NE 3.3Å; T294-R300 PolarHBondContact O-NH2 2.77Å; F295-R300 PolarHBondContact O-NH2 3.22Å; N296-R300 PolarHBondContact O-N 3.32Å; R300-T302 PolarHBondContact O-N 2.8Å
301T98.6Very high98.3Very high21 Ų2143.7 Ų43.713%0.12923%0.231CC..PPolyproline II helixtrans-60.2128.7-175.8-630000110.7M213 G291 Q305 A306 M309M213-T301 WeakPolarHBondContact CB-O 3.44Å; M213-T301 WeakPolarHBondContact CE-O 3.36Å; M213-T301 VanDerWaalsContact CG-O 3.23Å; M213-T301 WeakPolarHBondContact CG-O 3.24Å; G291-T301 WeakPolarHBondContact CA-OG1 3.38Å; G291-T301 WeakPolarHBondContact O-CB 3.26Å; G291-T301 PolarHBondContact O-N 3.36Å; G291-T301 PolarHBondContact O-OG1 3.12Å; T301-Q305 HydrophobicContact CG2-CB 3.81Å; T301-A306 HydrophobicContact CG2-CB 3.88Å; T301-M309 HydrophobicContact CG2-SD 4.16Å
302T98.8Very high98.3Very high44 Ų4444.7 Ų44.727%0.2723%0.232SC..PPolyproline II helixtrans-81.3164.7175.162.10000112.1V209 R300 T304 Q305 A306V209-T302 HydrophobicContact CG2-CG2 3.96Å; R300-T302 PolarHBondContact O-N 2.8Å; T302-T304 PolarHBondContact O-N 3.44Å; T302-Q305 PolarHBondContact O-N 3.1Å; T302-Q305 WeakPolarHBondContact OG1-CB 3.29Å; T302-Q305 VanDerWaalsContact OG1-CD 3.22Å; T302-Q305 VanDerWaalsContact OG1-CG 3.3Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.43Å; T302-Q305 PolarHBondContact OG1-N 2.97Å; T302-Q305 PolarHBondContact OG1-OE1 3.45Å; T302-A306 WeakPolarHBondContact O-CB 3.21Å; T302-A306 PolarHBondContact O-N 2.61Å
303A98.8Very high98.2Very high1 Ų149.2 Ų49.21%0.00826%0.264CS..Hα-helixtrans-57.3-45.7178.100000112.6L139 L142 E143 M213 Q305 A306 L307L139-A303 HydrophobicContact CD2-CB 4.4Å; L142-A303 HydrophobicContact CB-CB 4.29Å; E143-A303 HydrophobicContact CB-CB 3.89Å; M213-A303 HydrophobicContact CE-CB 4.31Å; M213-A303 HydrophobicContact SD-CB 3.92Å; M213-A303 PolarHBondContact SD-N 2.87Å; M213-A303 VanDerWaalsContact SD-N 3.39Å; A303-Q305 VanDerWaalsContact C-N 3.33Å; A303-Q305 PolarHBondContact O-N 2.86Å; A303-A306 PolarHBondContact O-N 2.95Å; A303-L307 VanDerWaalsContact O-CG 3.31Å; A303-L307 WeakPolarHBondContact O-CG 3.41Å; A303-L307 PolarHBondContact O-N 3.42Å
304T98.8Very high98.2Very high44 Ų4451.8 Ų51.827%0.2728%0.278SS..Hα-helixtrans-61.8-37.7176.9-600000113.1E143 T302 K308E143-T304 VanDerWaalsContact OE1-CA 3.32Å; E143-T304 WeakPolarHBondContact OE1-CA 3.42Å; E143-T304 VanDerWaalsContact OE1-CB 3.24Å; E143-T304 WeakPolarHBondContact OE1-CB 3.49Å; E143-T304 WeakPolarHBondContact OE1-CG2 3.1Å; E143-T304 PolarHBondContact OE1-OG1 3.34Å; T302-T304 PolarHBondContact O-N 3.44Å; T304-K308 WeakPolarHBondContact O-CD 3.36Å; T304-K308 WeakPolarHBondContact O-CG 3.32Å
305Q98.8Very high98.1Very high108 Ų10861.5 Ų61.551%0.50531%0.311SS..Hα-helixtrans-71-45.7176-73.2162.7-31.600110.6T301 T302 A303 L307 K308 M309T301-Q305 HydrophobicContact CG2-CB 3.81Å; T302-Q305 PolarHBondContact O-N 3.1Å; T302-Q305 WeakPolarHBondContact OG1-CB 3.29Å; T302-Q305 VanDerWaalsContact OG1-CD 3.22Å; T302-Q305 VanDerWaalsContact OG1-CG 3.3Å; T302-Q305 WeakPolarHBondContact OG1-CG 3.43Å; T302-Q305 PolarHBondContact OG1-N 2.97Å; T302-Q305 PolarHBondContact OG1-OE1 3.45Å; A303-Q305 VanDerWaalsContact C-N 3.33Å; A303-Q305 PolarHBondContact O-N 2.86Å; Q305-L307 VanDerWaalsContact C-N 3.33Å; Q305-L307 PolarHBondContact O-N 3.04Å; Q305-K308 PolarHBondContact O-N 3.46Å; Q305-M309 WeakPolarHBondContact O-CG 3.2Å; Q305-M309 PolarHBondContact O-N 3.18Å
306A98.8Very high98Very high0 Ų063.6 Ų63.60%033%0.327CS..Hα-helixtrans-56.3-45.6178.500000112L139 M213 L288 T301 T302 A303 K308 M309 F312L139-A306 HydrophobicContact CD1-CB 3.78Å; L139-A306 HydrophobicContact CD2-CB 4.06Å; M213-A306 HydrophobicContact CE-CB 4.33Å; L288-A306 HydrophobicContact CD1-CB 3.86Å; T301-A306 HydrophobicContact CG2-CB 3.88Å; T302-A306 WeakPolarHBondContact O-CB 3.21Å; T302-A306 PolarHBondContact O-N 2.61Å; A303-A306 PolarHBondContact O-N 2.95Å; A306-K308 PolarHBondContact O-N 2.61Å; A306-K308 VanDerWaalsContact O-N 3.17Å; A306-M309 VanDerWaalsContact O-CB 3.31Å; A306-M309 WeakPolarHBondContact O-CB 3.49Å; A306-M309 WeakPolarHBondContact O-CG 3.28Å; A306-M309 PolarHBondContact O-N 3.05Å; A306-F312 VanDerWaalsContact O-CD2 3.22Å; A306-F312 WeakPolarHBondContact O-CD2 3.49Å; A306-F312 WeakPolarHBondContact O-CE2 3.48Å
307L98.8Very high98Very high32 Ų3264.6 Ų64.617%0.16834%0.342CS..Hα-helixtrans-61.8-22.4178-73.6167.7000113.8L136 L139 Q140 E143 A303 Q305L136-L307 HydrophobicContact CD1-CD2 3.53Å; L139-L307 HydrophobicContact CB-CD1 4.33Å; L139-L307 HydrophobicContact CB-CD2 3.66Å; L139-L307 HydrophobicContact CB-CG 3.87Å; L139-L307 HydrophobicContact CD1-CD2 4.31Å; L139-L307 HydrophobicContact CD1-CG 4.49Å; Q140-L307 HydrophobicContact CG-CD1 4.4Å; Q140-L307 HydrophobicContact CG-CD2 4.02Å; E143-L307 HydrophobicContact CB-CD1 3.91Å; E143-L307 HydrophobicContact CG-CD1 4.36Å; E143-L307 WeakPolarHBondContact OE2-CD1 3.38Å; A303-L307 VanDerWaalsContact O-CG 3.31Å; A303-L307 WeakPolarHBondContact O-CG 3.41Å; A303-L307 PolarHBondContact O-N 3.42Å; Q305-L307 VanDerWaalsContact C-N 3.33Å; Q305-L307 PolarHBondContact O-N 3.04Å
308K98.7Very high98.1Very high166 Ų16665.4 Ų65.472%0.72235%0.348SS*.THydrogen-bonded Turntrans-92.7-3.2177.8-66.7172.3-176176.40113.2T304 Q305 A306T304-K308 WeakPolarHBondContact O-CD 3.36Å; T304-K308 WeakPolarHBondContact O-CG 3.32Å; Q305-K308 PolarHBondContact O-N 3.46Å; A306-K308 PolarHBondContact O-N 2.61Å; A306-K308 VanDerWaalsContact O-N 3.17Å
309M98.7Very high98.2Very high26 Ų2661.2 Ų61.213%0.12832%0.317CS..SBendtrans-72.8156.1-179.9-63.1-178.17300111.8E287 L288 T301 Q305 A306 Y311 F312E287-M309 HydrophobicContact CB-CE 4.07Å; E287-M309 HydrophobicContact CG-CE 3.59Å; E287-M309 WeakPolarHBondContact O-CE 3.42Å; L288-M309 HydrophobicContact CB-CE 4.27Å; L288-M309 HydrophobicContact CB-SD 4.3Å; L288-M309 HydrophobicContact CD1-SD 3.64Å; T301-M309 HydrophobicContact CG2-SD 4.16Å; Q305-M309 WeakPolarHBondContact O-CG 3.2Å; Q305-M309 PolarHBondContact O-N 3.18Å; A306-M309 VanDerWaalsContact O-CB 3.31Å; A306-M309 WeakPolarHBondContact O-CB 3.49Å; A306-M309 WeakPolarHBondContact O-CG 3.28Å; A306-M309 PolarHBondContact O-N 3.05Å; M309-Y311 PolarHBondContact O-N 3.03Å; M309-Y311 VanDerWaalsContact O-N 3.07Å; M309-F312 PolarHBondContact O-N 3.27Å; M309-F312 VanDerWaalsContact O-N 3.1Å
310R98.3Very high98.2Very high136 Ų13660.6 Ų60.651%0.51332%0.315SS..Hα-helixtrans-55.4-31.3-176.7-63.4-174.3-66.8162.60.9113.2D284 E287 F312 S313 N314D284-R310 HydrophobicContact CB-CB 4.27Å; E287-R310 IonicContact OE2-CZ 3.78Å; E287-R310 IonicContact OE2-NE 3.86Å; E287-R310 PolarHBondContact OE2-NE 3.38Å; E287-R310 VanDerWaalsContact OE2-NE 3.08Å; E287-R310 IonicContact OE2-NH2 3.64Å; E287-R310 PolarHBondContact OE2-NH2 3.02Å; R310-F312 PolarHBondContact O-N 3.22Å; R310-S313 WeakPolarHBondContact CA-OG 3.31Å; R310-S313 PolarHBondContact O-N 3Å; R310-S313 PolarHBondContact O-OG 3.06Å; R310-S313 VanDerWaalsContact O-OG 3.06Å; R310-N314 VanDerWaalsContact O-CB 3.23Å; R310-N314 WeakPolarHBondContact O-CB 3.35Å; R310-N314 PolarHBondContact O-N 2.87Å; R310-N314 PolarHBondContact O-ND2 3.19Å; R310-N314 PolarHBondContact O-OD1 3.37Å
311Y98.7Very high98Very high6 Ų661.4 Ų61.42%0.02433%0.325CS..Hα-helixtrans-52.1-39.9177.9-176.7-111000112.9K132 L285 L288 M309K132-Y311 HydrophobicContact CB-CE1 4.02Å; K132-Y311 HydrophobicContact CD-CE1 4.41Å; K132-Y311 WeakPolarHBondContact CD-O 3.4Å; K132-Y311 WeakPolarHBondContact CE-O 3.39Å; K132-Y311 HydrophobicContact CG-CD1 4.35Å; K132-Y311 HydrophobicContact CG-CE1 3.77Å; K132-Y311 PolarHBondContact NZ-O 3.22Å; L285-Y311 HydrophobicContact CB-CD2 3.7Å; L285-Y311 HydrophobicContact CB-CE2 3.63Å; L285-Y311 HydrophobicContact CD1-CD2 4.16Å; L285-Y311 HydrophobicContact CD1-CE1 4.26Å; L285-Y311 HydrophobicContact CD1-CE2 3.72Å; L285-Y311 HydrophobicContact CD2-CE2 4.15Å; L285-Y311 HydrophobicContact CG-CD2 4.46Å; L285-Y311 HydrophobicContact CG-CE2 4.03Å; L288-Y311 HydrophobicContact CD2-CD1 3.61Å; L288-Y311 HydrophobicContact CD2-CE1 4.12Å; L288-Y311 HydrophobicContact CD2-CG 4.18Å; M309-Y311 PolarHBondContact O-N 3.03Å; M309-Y311 VanDerWaalsContact O-N 3.07Å
312F98.4Very high97.8Very high29 Ų2964.1 Ų64.113%0.12735%0.35CS..Hα-helixtrans-85.9-15.4-178.7-62.6-70.9000114.2K132 I135 L136 L139 L288 A306 M309 R310K132-F312 HydrophobicContact CG-CD1 4Å; K132-F312 HydrophobicContact CG-CE1 4.19Å; I135-F312 HydrophobicContact CB-CE1 4.49Å; I135-F312 HydrophobicContact CB-CZ 4.39Å; I135-F312 HydrophobicContact CG2-CE1 4.33Å; I135-F312 HydrophobicContact CG2-CZ 3.76Å; L136-F312 HydrophobicContact CB-CD1 3.98Å; L136-F312 HydrophobicContact CB-CE1 3.84Å; L136-F312 HydrophobicContact CD1-CD1 3.86Å; L136-F312 HydrophobicContact CD1-CE1 4.3Å; L136-F312 HydrophobicContact CD1-CG 4.32Å; L136-F312 HydrophobicContact CG-CD1 4.41Å; L139-F312 HydrophobicContact CD1-CE1 4.49Å; L139-F312 HydrophobicContact CD1-CE2 3.53Å; L139-F312 HydrophobicContact CD1-CZ 3.44Å; L139-F312 VanDerWaalsContact CD1-CZ 3.44Å; L288-F312 HydrophobicContact CD1-CE2 4.49Å; L288-F312 HydrophobicContact CD2-CE2 3.93Å; L288-F312 HydrophobicContact CD2-CZ 3.92Å; A306-F312 VanDerWaalsContact O-CD2 3.22Å; A306-F312 WeakPolarHBondContact O-CD2 3.49Å; A306-F312 WeakPolarHBondContact O-CE2 3.48Å; M309-F312 PolarHBondContact O-N 3.27Å; M309-F312 VanDerWaalsContact O-N 3.1Å; R310-F312 PolarHBondContact O-N 3.22Å
313S97.3Very high97.6Very high95 Ų9568.5 Ų68.566%0.66437%0.367SS*.Hα-helixtrans-95.9-22.9174.958.60000113.9R310R310-S313 WeakPolarHBondContact CA-OG 3.31Å; R310-S313 PolarHBondContact O-N 3Å; R310-S313 PolarHBondContact O-OG 3.06Å; R310-S313 VanDerWaalsContact O-OG 3.06Å
314N98.1Very high97.5Very high63 Ų6368.9 Ų68.934%0.33737%0.369SS..SBendtrans-80.5156.8-177.5-73.7-7.3000112.7K132 D284 R310 P316K132-N314 PolarHBondContact NZ-O 3.13Å; D284-N314 VanDerWaalsContact OD2-CB 3.26Å; D284-N314 WeakPolarHBondContact OD2-CB 3.37Å; D284-N314 PolarHBondContact OD2-ND2 3.37Å; R310-N314 VanDerWaalsContact O-CB 3.23Å; R310-N314 WeakPolarHBondContact O-CB 3.35Å; R310-N314 PolarHBondContact O-N 2.87Å; R310-N314 PolarHBondContact O-ND2 3.19Å; R310-N314 PolarHBondContact O-OD1 3.37Å; N314-P316 CarbonylContact O-C 3.54Å; N314-P316 VanDerWaalsContact O-O 3.11Å
315R96.4Very high97.2Very high237 Ų23767.9 Ų67.989%0.89436%0.364SS*.SBendtrans-72.2148168.4-70.8-168.5176.8-140.80.3111
316P96.4Very high96.7Very high66 Ų6667.5 Ų67.543%0.42936%0.357SS..SBendcis-71.6148.5-4.931.1-35.4000111.8P128 A129 K132 N314P128-P316 HydrophobicContact CB-CG 4.21Å; A129-P316 HydrophobicContact CB-CB 4.24Å; A129-P316 HydrophobicContact CB-CG 4.38Å; K132-P316 WeakPolarHBondContact CD-O 3.29Å; K132-P316 VanDerWaalsContact CE-O 3.25Å; K132-P316 WeakPolarHBondContact CE-O 3.1Å; K132-P316 PolarHBondContact NZ-O 2.87Å; N314-P316 CarbonylContact O-C 3.54Å; N314-P316 VanDerWaalsContact O-O 3.11Å
317G97.9Very high96.1Very high43 Ų4368.8 Ų68.844%0.44337%0.366SS..PPolyproline II helixtrans-68.4163.7172.600000111.9A129A129-G317 VanDerWaalsContact CB-O 3.32Å; A129-G317 WeakPolarHBondContact CB-O 3.46Å
318P98.3Very high94.7Very high52 Ų5273 Ų7334%0.33839%0.388SS..PPolyproline II helixtrans-63.1137.3174.328.7-35.3000110.5K132 A133 L136K132-P318 HydrophobicContact CG-CB 4.26Å; A133-P318 HydrophobicContact CB-CB 3.92Å; L136-P318 HydrophobicContact CD2-CB 4.06Å; L136-P318 HydrophobicContact CD2-CG 3.76Å
319T98.4Very high92.6Very high21 Ų2170.4 Ų70.413%0.12939%0.39CS..PPolyproline II helixtrans-65132174.7-62.60000110.4A129 H130 A133 Q323 L324A129-T319 VanDerWaalsContact CB-OG1 3.24Å; A129-T319 WeakPolarHBondContact CB-OG1 3.23Å; A129-T319 PolarHBondContact O-N 3.02Å; A129-T319 VanDerWaalsContact O-N 3.09Å; H130-T319 PolarHBondContact CD2-OG1 3.23Å; H130-T319 VanDerWaalsContact CD2-OG1 3.24Å; A133-T319 WeakPolarHBondContact CB-O 3.46Å; T319-Q323 HydrophobicContact CG2-CB 3.6Å; T319-L324 HydrophobicContact CG2-CD2 4.1Å; T319-L324 HydrophobicContact CG2-CG 4.45Å
320P97.6Very high89.8Confident76 Ų7671 Ų7149%0.49440%0.397SS..PPolyproline II helixtrans-58.1144.2173.8-24.434.2000112.1A322 Q323 L324P320-A322 VanDerWaalsContact C-N 3.29Å; P320-A322 PolarHBondContact O-N 3.45Å; P320-A322 VanDerWaalsContact O-N 3.13Å; P320-Q323 PolarHBondContact O-N 3.44Å; P320-L324 PolarHBondContact O-N 3.3Å
321G94.6Very high87.2Confident23 Ų2369 Ų6924%0.23740%0.4CS..G310 helixtrans-50.1-44.4-174.100000114.5N165 Q323 L324N165-G321 CarbonylContact O-C 3.54Å; N165-G321 WeakPolarHBondContact O-CA 3.16Å; G321-Q323 PolarHBondContact O-N 3.31Å; G321-L324 WeakPolarHBondContact O-CB 3.3Å; G321-L324 PolarHBondContact O-N 3.18Å
322A92.9Very high84.4Confident79 Ų7974.9 Ų74.965%0.65343%0.427SS*.G310 helixtrans-61.4-20.5179.900000114.3N165 P320N165-A322 PolarHBondContact O-N 2.81Å; P320-A322 VanDerWaalsContact C-N 3.29Å; P320-A322 PolarHBondContact O-N 3.45Å; P320-A322 VanDerWaalsContact O-N 3.13Å
323Q95.6Very high81.7Confident136 Ų13675.6 Ų75.664%0.63644%0.439SS*.G310 helixtrans-101.9-0.6179.8-62.8174.59.600112.8T319 P320 G321T319-Q323 HydrophobicContact CG2-CB 3.6Å; P320-Q323 PolarHBondContact O-N 3.44Å; G321-Q323 PolarHBondContact O-N 3.31Å
324L96.4Very high79.1Confident8 Ų875.8 Ų75.84%0.04243%0.432CS..SBendtrans-67.4144.1176.9-71.9171.4000110.9H130 A133 Y134 M137 G166 T319 P320 G321H130-L324 HydrophobicContact CB-CD2 4.26Å; A133-L324 HydrophobicContact CB-CD1 4.39Å; A133-L324 HydrophobicContact CB-CD2 3.89Å; Y134-L324 HydrophobicContact CD1-CD1 4.28Å; Y134-L324 HydrophobicContact CE1-CD1 3.76Å; Y134-L324 HydrophobicContact CE1-CD2 4.12Å; Y134-L324 HydrophobicContact CE1-CG 4.36Å; M137-L324 HydrophobicContact CE-CD1 3.82Å; G166-L324 WeakPolarHBondContact O-CD1 3.23Å; T319-L324 HydrophobicContact CG2-CD2 4.1Å; T319-L324 HydrophobicContact CG2-CG 4.45Å; P320-L324 PolarHBondContact O-N 3.3Å; G321-L324 WeakPolarHBondContact O-CB 3.3Å; G321-L324 PolarHBondContact O-N 3.18Å
325P92.9Very high76.5Confident24 Ų2480.2 Ų80.216%0.15644%0.444CS..  trans-63.7140.5179.327.3-33.6000109.8L124 L126L124-P325 HydrophobicContact CD2-CB 4.36Å; L126-P325 HydrophobicContact CD2-CG 3.62Å
326R87.8Confident74.2Confident99 Ų9975.3 Ų75.337%0.37443%0.431SS..  trans-118138.1176.5-59-175.2-165.6-163.61.6108.4E112 L124 G164 N328E112-R326 IonicContact OE2-NH1 3.68Å; L124-R326 VanDerWaalsContact CD2-O 3.27Å; L124-R326 WeakPolarHBondContact CD2-O 3.43Å; G164-R326 PolarHBondContact O-NH1 3.07Å; G164-R326 PolarHBondContact O-NH2 2.83Å; R326-N328 PolarHBondContact O-N 3.13Å
327P86.4Confident71.9Confident28 Ų2879.7 Ų79.718%0.18244%0.443CS..  trans-52.8132.6168.6-20.732.7000108.3T113 V117 I118 L124 C329T113-P327 HydrophobicContact CG2-CG 4.21Å; V117-P327 HydrophobicContact CG1-CB 3.97Å; V117-P327 HydrophobicContact CG1-CG 3.7Å; I118-P327 HydrophobicContact CG1-CG 3.88Å; L124-P327 HydrophobicContact CD1-CB 4.47Å; L124-P327 HydrophobicContact CD1-CG 4.22Å; P327-C329 PolarHBondContact O-N 2.85Å
328N70.1Confident69.5Low119 Ų11983.9 Ų83.964%0.63645%0.452SS*.  trans-60.2113.9172.3-80.2-29.5000106.5R326 S330R326-N328 PolarHBondContact O-N 3.13Å; N328-S330 PolarHBondContact O-N 2.83Å
329C54.2Low67.3Low112 Ų11286 Ų8676%0.75746%0.459SS*.  trans-71.660.7156-140.50000106.1P327 V331P327-C329 PolarHBondContact O-N 2.85Å; C329-V331 PolarHBondContact O-N 3.2Å
330S40.1Very low65.1Low40 Ų4088.5 Ų88.528%0.2847%0.474SS..  trans-65140.1177.970.20000106.3N328 E332 A333N328-S330 PolarHBondContact O-N 2.83Å; S330-E332 WeakPolarHBondContact CB-OE2 3.23Å; S330-E332 PolarHBondContact O-N 2.99Å; S330-E332 PolarHBondContact OG-OE2 2.97Å; S330-A333 PolarHBondContact O-N 3.42Å
331V43.7Very low62.7Low94 Ų9486.6 Ų86.657%0.5747%0.468SS*.Hα-helixtrans-48.4-15.2175.6179.70000112.2C329 R335C329-V331 PolarHBondContact O-N 3.2Å; V331-R335 WeakPolarHBondContact O-CB 3.48Å; V331-R335 VanDerWaalsContact O-CG 3.27Å; V331-R335 WeakPolarHBondContact O-CG 3.21Å; V331-R335 PolarHBondContact O-N 3.21Å
332E39.1Very low60.5Low128 Ų12891.2 Ų91.260%0.59849%0.487SS*.Hα-helixtrans-69-40.8173.4-65.4147.6164.600113.6S330 L334 R335 E336S330-E332 WeakPolarHBondContact CB-OE2 3.23Å; S330-E332 PolarHBondContact O-N 2.99Å; S330-E332 PolarHBondContact OG-OE2 2.97Å; E332-L334 VanDerWaalsContact C-N 3.28Å; E332-L334 PolarHBondContact O-N 3.42Å; E332-R335 CarbonylContact O-C 3.58Å; E332-R335 PolarHBondContact O-N 2.98Å; E332-E336 WeakPolarHBondContact O-CB 3.14Å; E332-E336 PolarHBondContact O-N 3.39Å
333A41.8Very low58.3Low44 Ų4494 Ų9436%0.36448%0.484SS..Hα-helixtrans-68.7-30.4177.100000112S330 K337S330-A333 PolarHBondContact O-N 3.42Å; A333-K337 WeakPolarHBondContact O-CB 2.96Å; A333-K337 WeakPolarHBondContact O-CG 3.17Å; A333-K337 PolarHBondContact O-N 2.99Å
334L43.3Very low56.1Low100 Ų10097.1 Ų97.152%0.52449%0.49SS..Hα-helixtrans-72.7-41.7170.7-73.9163.2000111.1E332 K337 E338E332-L334 VanDerWaalsContact C-N 3.28Å; E332-L334 PolarHBondContact O-N 3.42Å; L334-K337 PolarHBondContact O-N 3.24Å; L334-E338 WeakPolarHBondContact O-CB 3.43Å; L334-E338 WeakPolarHBondContact O-CG 3.34Å; L334-E338 PolarHBondContact O-N 3.08Å
335R43.3Very low53.7Low155 Ų155104.7 Ų104.759%0.58552%0.523SS*.Hα-helixtrans-64.2-40.6174.6-81.2175.3176.1-1760112.8V331 E332 E338 I339V331-R335 WeakPolarHBondContact O-CB 3.48Å; V331-R335 VanDerWaalsContact O-CG 3.27Å; V331-R335 WeakPolarHBondContact O-CG 3.21Å; V331-R335 PolarHBondContact O-N 3.21Å; E332-R335 CarbonylContact O-C 3.58Å; E332-R335 PolarHBondContact O-N 2.98Å; R335-E338 PolarHBondContact O-N 3.22Å; R335-I339 WeakPolarHBondContact O-CB 3.42Å; R335-I339 WeakPolarHBondContact O-CD1 3.17Å; R335-I339 WeakPolarHBondContact O-CG1 3.45Å; R335-I339 PolarHBondContact O-N 3.44Å
336E47.1Very low51.3Low135 Ų135108 Ų10863%0.63154%0.543SS*.Hα-helixtrans-64.8-40.8175.9-79.5-174.9159.600111.4E332 I339 V340E332-E336 WeakPolarHBondContact O-CB 3.14Å; E332-E336 PolarHBondContact O-N 3.39Å; E336-I339 PolarHBondContact O-N 2.95Å; E336-V340 WeakPolarHBondContact O-CB 3.47Å; E336-V340 WeakPolarHBondContact O-CG2 3.45Å; E336-V340 PolarHBondContact O-N 3.31Å
337K47.9Very low49.1Very low157 Ų157110 Ų11068%0.68356%0.561SS**Hα-helixtrans-66.1-38.1173.7-75.2178.9179.3-179.10112.6A333 L334 G341A333-K337 WeakPolarHBondContact O-CB 2.96Å; A333-K337 WeakPolarHBondContact O-CG 3.17Å; A333-K337 PolarHBondContact O-N 2.99Å; L334-K337 PolarHBondContact O-N 3.24Å; K337-G341 PolarHBondContact O-N 3.48Å
338E48.5Very low47Very low132 Ų132111.7 Ų111.762%0.61758%0.583SS**Hα-helixtrans-66.8-41.4173.6-79.1-177.8156.400112.3L334 R335 G341 L342L334-E338 WeakPolarHBondContact O-CB 3.43Å; L334-E338 WeakPolarHBondContact O-CG 3.34Å; L334-E338 PolarHBondContact O-N 3.08Å; R335-E338 PolarHBondContact O-N 3.22Å; E338-G341 PolarHBondContact O-N 3.42Å; E338-L342 WeakPolarHBondContact O-CD1 3.48Å; E338-L342 PolarHBondContact O-N 3.1Å
339I50.8Low45.6Very low97 Ų97113 Ų11350%0.49759%0.589SS.*Hα-helixtrans-66.4-41.4178-69.6163.4000110.9R335 E336 L342 K343R335-I339 WeakPolarHBondContact O-CB 3.42Å; R335-I339 WeakPolarHBondContact O-CD1 3.17Å; R335-I339 WeakPolarHBondContact O-CG1 3.45Å; R335-I339 PolarHBondContact O-N 3.44Å; E336-I339 PolarHBondContact O-N 2.95Å; I339-L342 PolarHBondContact O-N 2.82Å; I339-K343 WeakPolarHBondContact O-CG 3.36Å; I339-K343 PolarHBondContact O-N 2.8Å
340V53Low44.9Very low72 Ų72114.5 Ų114.544%0.43659%0.59SS.*Hα-helixtrans-69-35.3175.5174.10000111.3E336 R344E336-V340 WeakPolarHBondContact O-CB 3.47Å; E336-V340 WeakPolarHBondContact O-CG2 3.45Å; E336-V340 PolarHBondContact O-N 3.31Å; V340-R344 WeakPolarHBondContact O-CG 3.46Å; V340-R344 PolarHBondContact O-N 3.38Å
341G47.3Very low44.5Very low36 Ų36119.6 Ų119.637%0.37162%0.619SS.*Hα-helixtrans-67.9-36.917400000113.8K337 E338 K345K337-G341 PolarHBondContact O-N 3.48Å; E338-G341 PolarHBondContact O-N 3.42Å; G341-K345 PolarHBondContact O-N 3.07Å
342L48.8Very low43.9Very low121 Ų121121.4 Ų121.463%0.63463%0.631SS**Hα-helixtrans-70.1-43174.4-103.173.8000111.9E338 I339 R344 K345 T346E338-L342 WeakPolarHBondContact O-CD1 3.48Å; E338-L342 PolarHBondContact O-N 3.1Å; I339-L342 PolarHBondContact O-N 2.82Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 3.35Å; L342-K345 PolarHBondContact O-N 3.31Å; L342-T346 PolarHBondContact O-N 3.39Å; L342-T346 PolarHBondContact O-OG1 2.94Å
343K46.3Very low43.5Very low137 Ų137121.1 Ų121.160%0.59664%0.637SS**Hα-helixtrans-59.8-39.3177-79.2-177176.8-178.50112.7I339 K345 T346 D347I339-K343 WeakPolarHBondContact O-CG 3.36Å; I339-K343 PolarHBondContact O-N 2.8Å; K343-K345 VanDerWaalsContact C-N 3.27Å; K343-K345 PolarHBondContact O-N 2.83Å; K343-T346 WeakPolarHBondContact CA-OG1 3.08Å; K343-T346 PolarHBondContact O-N 3.35Å; K343-T346 PolarHBondContact O-OG1 2.87Å; K343-D347 PolarHBondContact O-N 2.89Å; K343-D347 VanDerWaalsContact O-N 3.13Å
344R49.8Very low42.9Very low201 Ų201127.1 Ų127.176%0.75866%0.66SS**Hα-helixtrans-69.1-21.4175-72.4-179-172.4176.63.5113.9V340 L342V340-R344 WeakPolarHBondContact O-CG 3.46Å; V340-R344 PolarHBondContact O-N 3.38Å; L342-R344 VanDerWaalsContact C-N 3.31Å; L342-R344 PolarHBondContact O-N 3.35Å
345K45.3Very low42.6Very low167 Ų167132.4 Ų132.473%0.72668%0.679SS**Hα-helixtrans-85-31.5174.2-98.3-178.3174.3178.20112.6G341 L342 K343G341-K345 PolarHBondContact O-N 3.07Å; L342-K345 PolarHBondContact O-N 3.31Å; K343-K345 VanDerWaalsContact C-N 3.27Å; K343-K345 PolarHBondContact O-N 2.83Å
346T42.2Very low42.1Very low94 Ų94134.5 Ų134.558%0.57769%0.692SS**Hα-helixtrans-77-33.2177.446.10000112.8L342 K343 G348 L349L342-T346 PolarHBondContact O-N 3.39Å; L342-T346 PolarHBondContact O-OG1 2.94Å; K343-T346 WeakPolarHBondContact CA-OG1 3.08Å; K343-T346 PolarHBondContact O-N 3.35Å; K343-T346 PolarHBondContact O-OG1 2.87Å; T346-G348 PolarHBondContact O-N 2.88Å; T346-L349 PolarHBondContact O-N 3.46Å
347D42.1Very low41.1Very low141 Ų141137.6 Ų137.675%0.75470%0.703SS**THydrogen-bonded Turntrans-74.2-4177.6-70.6-13.2000113.8K343K343-D347 PolarHBondContact O-N 2.89Å; K343-D347 VanDerWaalsContact O-N 3.13Å
348G41.5Very low40.3Very low63 Ų63137.4 Ų137.465%0.64971%0.709SS**THydrogen-bonded Turntrans-97.6-1.9176.300000115T346T346-G348 PolarHBondContact O-N 2.88Å
349L42Very low39.4Very low146 Ų146138.2 Ų138.276%0.76472%0.716SS**SBendtrans-132.855.5-178.9-89.4107.4000111.3T346T346-L349 PolarHBondContact O-N 3.46Å
350D38.4Very low38.8Very low145 Ų145146.7 Ų146.778%0.77575%0.75SS**  trans-167.1113.6147-109.4-25.6000110.4
351T32.1Very low38.1Very low146 Ų146150.4 Ų150.490%0.89677%0.766SS**  trans169.183137.334.40000109.3
352T30.8Very low37.6Very low133 Ų133156.4 Ų156.482%0.81679%0.786SS**  trans-87126.8157.1-17.50000108
353V31.6Very low36.9Very low121 Ų121158.4 Ų158.473%0.73380%0.795SS**  trans75.6105.6158.8-161.80000117.7
354M28.8Very low36.4Very low171 Ų171159.6 Ų159.684%0.84281%0.807SS**  -173.1122.9103.5-94.5-159.4-166.100111.3
355K37.9Very low35.6Very low210 Ų210157.1 Ų157.191%0.91381%0.81SS**  trans-64.3128.3163.1-74.7175.7174.6175.60109.3
356K31.2Very low34.9Very low200 Ų200156.4 Ų156.487%0.8782%0.815SS**  trans-136.1137.5151-91.3-174.8179.1175.30111.1
357K26.9Very low34.4Very low199 Ų199160.9 Ų160.987%0.86583%0.832SS**  trans-57.5148-177.5-86.9171.6162.4177.40113.5
358L31.9Very low33.8Very low153 Ų153162.4 Ų162.480%0.80184%0.838SS**  trans3.9149.7145-69.8153000118.9
359I28Very low33.2Very low149 Ų149170.7 Ų170.776%0.76485%0.854SS**  -167.7131.5120.3-89.3147.6000109.9
360F38.2Very low32.3Very low275 Ų275172.9 Ų172.9100%1.20686%0.862SS**  trans64.30179.4-57.9-61.8000119.7

Retrieved 360 of 360 residues in 387.9 ms (Link to these results)

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