A0A087YE49_POEFO Loading...

Sterol-C5-desaturase

AlphaFold DB , UniProt , Accession A0A087YE49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 292 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
1M91.1Very high94.8Very high23 Ų2358.3 Ų58.311%0.11330%0.295CS..  0-34.70-75.2-50.8-67.500111.8L3 V4 L5 L34 V37 F95 E98 V99M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.27Å; M1-V4 HydrophobicContact CE-CB 4.47Å; M1-V4 PolarHBondContact O-N 3.04Å; M1-V4 VanDerWaalsContact O-N 3.13Å; M1-L5 WeakPolarHBondContact O-CB 3.34Å; M1-L5 PolarHBondContact O-N 2.89Å; M1-L34 HydrophobicContact CB-CD2 4.04Å; M1-L34 HydrophobicContact CE-CD2 3.9Å; M1-V37 HydrophobicContact CE-CG1 4.39Å; M1-F95 HydrophobicContact CB-CB 4.26Å; M1-F95 HydrophobicContact CB-CG 4.39Å; M1-F95 HydrophobicContact CE-CD2 4.05Å; M1-F95 HydrophobicContact CE-CE2 4.16Å; M1-F95 HydrophobicContact CG-CB 3.84Å; M1-F95 HydrophobicContact CG-CD1 3.51Å; M1-F95 HydrophobicContact CG-CD2 3.75Å; M1-F95 HydrophobicContact CG-CE1 3.84Å; M1-F95 HydrophobicContact CG-CE2 4.06Å; M1-F95 HydrophobicContact CG-CG 3.46Å; M1-F95 VanDerWaalsContact CG-CG 3.46Å; M1-F95 HydrophobicContact CG-CZ 4.1Å; M1-F95 HydrophobicContact SD-CD2 4.17Å; M1-F95 HydrophobicContact SD-CE1 4.42Å; M1-F95 HydrophobicContact SD-CE2 4.01Å; M1-F95 HydrophobicContact SD-CG 4.45Å; M1-F95 HydrophobicContact SD-CZ 4.14Å; M1-E98 WeakPolarHBondContact CA-OE1 3.45Å; M1-E98 VanDerWaalsContact CB-OE1 3.32Å; M1-E98 WeakPolarHBondContact CB-OE1 2.91Å; M1-E98 PolarHBondContact N-OE1 3.4Å; M1-V99 HydrophobicContact CB-CG2 4.05Å
2D91Very high94.9Very high31 Ų3159.7 Ų59.717%0.16631%0.308CS..Hα-helixtrans-49.8-45.8168.762.5-26000113.4V4 L5 N6 V99 K191D2-V4 VanDerWaalsContact C-N 3.32Å; D2-V4 PolarHBondContact O-N 2.91Å; D2-L5 PolarHBondContact O-N 2.9Å; D2-N6 WeakPolarHBondContact O-CB 3.29Å; D2-N6 PolarHBondContact O-N 3.25Å; D2-N6 PolarHBondContact O-ND2 3.43Å; D2-N6 PolarHBondContact O-OD1 3.11Å; D2-V99 HydrophobicContact CB-CG2 4.2Å; D2-K191 VanDerWaalsContact OD2-CE 3.3Å; D2-K191 WeakPolarHBondContact OD2-CE 3.38Å; D2-K191 IonicContact OD2-NZ 3.67Å; D2-K191 PolarHBondContact OD2-NZ 2.92Å
3L93.9Very high95.1Very high54 Ų5456.4 Ų56.428%0.28329%0.292SS..Hα-helixtrans-56.5-45.4175.5-69.2179.1000112.5M1 V7 K191 L192 L195M1-L3 VanDerWaalsContact C-N 3.32Å; M1-L3 PolarHBondContact O-N 3.27Å; L3-V7 VanDerWaalsContact O-CG2 3.32Å; L3-V7 WeakPolarHBondContact O-CG2 3.39Å; L3-V7 PolarHBondContact O-N 3.38Å; L3-K191 HydrophobicContact CD1-CB 3.69Å; L3-K191 HydrophobicContact CD1-CD 4.28Å; L3-K191 HydrophobicContact CG-CB 4.46Å; L3-K191 HydrophobicContact CG-CD 4.19Å; L3-L192 HydrophobicContact CD1-CD2 3.79Å; L3-L192 HydrophobicContact CD1-CG 4.49Å; L3-L195 HydrophobicContact CD1-CD1 4.2Å
4V94.4Very high95.1Very high49 Ų4956.3 Ų56.330%0.29730%0.295SS..Hα-helixtrans-69.2-41.6-179.6-176.50000110.3M1 D2 V7 A8 V37 L195M1-V4 HydrophobicContact CE-CB 4.47Å; M1-V4 PolarHBondContact O-N 3.04Å; M1-V4 VanDerWaalsContact O-N 3.13Å; D2-V4 VanDerWaalsContact C-N 3.32Å; D2-V4 PolarHBondContact O-N 2.91Å; V4-V7 PolarHBondContact O-N 3.17Å; V4-A8 WeakPolarHBondContact O-CB 3.31Å; V4-A8 PolarHBondContact O-N 3.36Å; V4-V37 HydrophobicContact CG1-CG1 3.61Å; V4-L195 HydrophobicContact CG2-CD1 4.32Å; V4-L195 HydrophobicContact CG2-CD2 3.98Å
5L95Very high95.2Very high2 Ų257.3 Ų57.31%0.0131%0.306CS..Hα-helixtrans-65.8-44.4179.8-172.861.2000111.2M1 D2 V7 A8 D9 L13 Q30 S33 L34 V99M1-L5 WeakPolarHBondContact O-CB 3.34Å; M1-L5 PolarHBondContact O-N 2.89Å; D2-L5 PolarHBondContact O-N 2.9Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 2.91Å; L5-A8 CarbonylContact O-C 3.57Å; L5-A8 WeakPolarHBondContact O-CB 3.35Å; L5-A8 PolarHBondContact O-N 3.23Å; L5-A8 VanDerWaalsContact O-N 3.13Å; L5-D9 WeakPolarHBondContact O-CB 3.45Å; L5-D9 PolarHBondContact O-N 2.9Å; L5-L13 HydrophobicContact CD1-CD1 4.36Å; L5-Q30 HydrophobicContact CD2-CB 4.37Å; L5-Q30 HydrophobicContact CD2-CG 4.14Å; L5-S33 VanDerWaalsContact CD1-CB 3.4Å; L5-L34 HydrophobicContact CD2-CD2 4.45Å; L5-L34 HydrophobicContact CD2-CG 4.42Å; L5-V99 HydrophobicContact CD2-CG1 4.26Å; L5-V99 HydrophobicContact CD2-CG2 4.47Å
6N95.4Very high95.2Very high94 Ų9465.6 Ų65.650%0.50333%0.334SS..Hα-helixtrans-60.3-41.9176.4-68.4-12.8000111.8D2 H10D2-N6 WeakPolarHBondContact O-CB 3.29Å; D2-N6 PolarHBondContact O-N 3.25Å; D2-N6 PolarHBondContact O-ND2 3.43Å; D2-N6 PolarHBondContact O-OD1 3.11Å; N6-H10 VanDerWaalsContact O-CB 3.25Å; N6-H10 WeakPolarHBondContact O-CB 3.31Å; N6-H10 PolarHBondContact O-N 3.26Å
7V96.2Very high95.3Very high85 Ų8566.8 Ų66.852%0.51535%0.345SS..Hα-helixtrans-64.6-45.2174.3170.50000110.5L3 V4 L5 H10 Y11L3-V7 VanDerWaalsContact O-CG2 3.32Å; L3-V7 WeakPolarHBondContact O-CG2 3.39Å; L3-V7 PolarHBondContact O-N 3.38Å; V4-V7 PolarHBondContact O-N 3.17Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 2.91Å; V7-H10 PolarHBondContact O-N 3.46Å; V7-Y11 HydrophobicContact CG1-CD2 3.86Å; V7-Y11 HydrophobicContact CG1-CE2 4.25Å; V7-Y11 WeakPolarHBondContact O-CD2 3.42Å; V7-Y11 PolarHBondContact O-N 2.97Å
8A96.3Very high95.4Very high18 Ų1864.9 Ų64.915%0.14933%0.333CS..Hα-helixtrans-62.3-45.217800000111.5V4 L5 V12 L13 V37V4-A8 WeakPolarHBondContact O-CB 3.31Å; V4-A8 PolarHBondContact O-N 3.36Å; L5-A8 CarbonylContact O-C 3.57Å; L5-A8 WeakPolarHBondContact O-CB 3.35Å; L5-A8 PolarHBondContact O-N 3.23Å; L5-A8 VanDerWaalsContact O-N 3.13Å; A8-V12 CarbonylContact O-C 3.57Å; A8-V12 WeakPolarHBondContact O-CA 3.44Å; A8-V12 WeakPolarHBondContact O-CB 3.48Å; A8-V12 PolarHBondContact O-N 2.93Å; A8-L13 HydrophobicContact CB-CD1 3.78Å; A8-L13 HydrophobicContact CB-CG 4.07Å; A8-L13 PolarHBondContact O-N 3.45Å; A8-V37 HydrophobicContact CB-CG2 4.15Å
9D96.1Very high95.4Very high2 Ų265 Ų651%0.01134%0.338CS..Iπ-helixtrans-60.2-50.3176.5-76.7-35.1000111.1L5 Y11 L13 T14 P15 E24 R29L5-D9 WeakPolarHBondContact O-CB 3.45Å; L5-D9 PolarHBondContact O-N 2.9Å; D9-Y11 PolarHBondContact O-N 3.38Å; D9-L13 WeakPolarHBondContact OD1-CB 3.43Å; D9-L13 WeakPolarHBondContact OD1-CD1 3.26Å; D9-T14 WeakPolarHBondContact O-CB 3.25Å; D9-T14 PolarHBondContact O-N 3.28Å; D9-T14 PolarHBondContact O-OG1 3.17Å; D9-P15 WeakPolarHBondContact O-CD 3.36Å; D9-E24 HydrophobicContact CB-CG 4.28Å; D9-R29 VanDerWaalsContact CG-NH2 3.34Å; D9-R29 IonicContact OD1-CZ 2.8Å; D9-R29 IonicContact OD1-NE 2.72Å; D9-R29 IonicContact OD1-NH2 3.96Å; D9-R29 PolarHBondContact OD1-NH2 3.05Å
10H96.4Very high95.2Very high128 Ų12872.1 Ų72.159%0.59337%0.369SS*.Iπ-helixtrans-61.3-45.9-178.2-173.973.4000113.5N6 V7N6-H10 VanDerWaalsContact O-CB 3.25Å; N6-H10 WeakPolarHBondContact O-CB 3.31Å; N6-H10 PolarHBondContact O-N 3.26Å; V7-H10 PolarHBondContact O-N 3.46Å
11Y96.8Very high95.2Very high155 Ų15573.4 Ų73.461%0.60839%0.385SS*.Iπ-helixtrans-95.4-22.9-171.9-70-72.6000114.4V7 D9 Y16V7-Y11 HydrophobicContact CG1-CD2 3.86Å; V7-Y11 HydrophobicContact CG1-CE2 4.25Å; V7-Y11 WeakPolarHBondContact O-CD2 3.42Å; V7-Y11 PolarHBondContact O-N 2.97Å; D9-Y11 PolarHBondContact O-N 3.38Å; Y11-Y16 WeakPolarHBondContact O-CE2 3.23Å
12V96.8Very high95.4Very high75 Ų7576.8 Ų76.846%0.45540%0.397SS..Iπ-helixtrans-134.2-57.2-169-174.80000112.9A8 Y16 V17A8-V12 CarbonylContact O-C 3.57Å; A8-V12 WeakPolarHBondContact O-CA 3.44Å; A8-V12 WeakPolarHBondContact O-CB 3.48Å; A8-V12 PolarHBondContact O-N 2.93Å; V12-Y16 WeakPolarHBondContact O-CB 3.17Å; V12-Y16 WeakPolarHBondContact O-CD2 3.44Å; V12-Y16 PolarHBondContact O-N 3.33Å; V12-V17 HydrophobicContact CG1-CG2 4.42Å
13L96.4Very high95.6Very high17 Ų1777.8 Ų77.89%0.08941%0.41CS..Iπ-helixtrans-76.4-41.7-164.6-49.8176.2000112.4L5 A8 D9 V17 Y18 S33L5-L13 HydrophobicContact CD1-CD1 4.36Å; A8-L13 HydrophobicContact CB-CD1 3.78Å; A8-L13 HydrophobicContact CB-CG 4.07Å; A8-L13 PolarHBondContact O-N 3.45Å; D9-L13 WeakPolarHBondContact OD1-CB 3.43Å; D9-L13 WeakPolarHBondContact OD1-CD1 3.26Å; L13-V17 HydrophobicContact CD2-CB 4.34Å; L13-V17 HydrophobicContact CD2-CG2 3.99Å; L13-V17 WeakPolarHBondContact O-CB 3.33Å; L13-V17 PolarHBondContact O-N 3.14Å; L13-V17 VanDerWaalsContact O-N 3.12Å; L13-Y18 HydrophobicContact CB-CD2 3.89Å; L13-Y18 HydrophobicContact CB-CE2 3.96Å; L13-Y18 HydrophobicContact CD1-CE2 4.37Å; L13-Y18 PolarHBondContact O-N 2.73Å; L13-S33 WeakPolarHBondContact CD1-OG 3.33Å
14T95.6Very high95.7Very high55 Ų5579.5 Ų79.534%0.33742%0.416SS..Hα-helixtrans-69.2-46.7176.4-58.90000112.3D9 E24 R29D9-T14 WeakPolarHBondContact O-CB 3.25Å; D9-T14 PolarHBondContact O-N 3.28Å; D9-T14 PolarHBondContact O-OG1 3.17Å; T14-E24 PolarHBondContact OG1-OE1 3.1Å; T14-R29 PolarHBondContact OG1-NH2 3.23Å
15P95.9Very high95.7Very high72 Ų7282.2 Ų82.247%0.46843%0.429SS..Hα-helixtrans-76.2-26.1-175.2-17.932.6000114.4D9D9-P15 WeakPolarHBondContact O-CD 3.36Å
16Y96.4Very high95.8Very high189 Ų18983.3 Ų83.374%0.74144%0.441SS*.Hα-helixtrans-129.9-16.1-166.8-52-69000116Y11 V12Y11-Y16 WeakPolarHBondContact O-CE2 3.23Å; V12-Y16 WeakPolarHBondContact O-CB 3.17Å; V12-Y16 WeakPolarHBondContact O-CD2 3.44Å; V12-Y16 PolarHBondContact O-N 3.33Å
17V96.6Very high95.9Very high86 Ų8681.2 Ų81.252%0.52144%0.437SS..THydrogen-bonded Turntrans-113.6-55-170.8-176.80000112.3V12 L13V12-V17 HydrophobicContact CG1-CG2 4.42Å; L13-V17 HydrophobicContact CD2-CB 4.34Å; L13-V17 HydrophobicContact CD2-CG2 3.99Å; L13-V17 WeakPolarHBondContact O-CB 3.33Å; L13-V17 PolarHBondContact O-N 3.14Å; L13-V17 VanDerWaalsContact O-N 3.12Å
18Y96.4Very high95.9Very high34 Ų3482.1 Ų82.113%0.13344%0.438CS..SBendtrans-94.2143.6-176.5-67-69.8000111.8L13 W22 R29 L32 S33L13-Y18 HydrophobicContact CB-CD2 3.89Å; L13-Y18 HydrophobicContact CB-CE2 3.96Å; L13-Y18 HydrophobicContact CD1-CE2 4.37Å; L13-Y18 PolarHBondContact O-N 2.73Å; Y18-W22 HydrophobicContact CD1-CD2 4.25Å; Y18-W22 AromaticContact CD1-CE3 3.61Å; Y18-W22 HydrophobicContact CD1-CE3 3.61Å; Y18-W22 HydrophobicContact CD1-CZ3 4.2Å; Y18-W22 AromaticContact CE1-CE3 3.75Å; Y18-W22 HydrophobicContact CE1-CE3 3.75Å; Y18-W22 AromaticContact CE1-CZ3 3.92Å; Y18-W22 HydrophobicContact CE1-CZ3 3.92Å; Y18-R29 HydrophobicContact CD1-CG 4.08Å; Y18-R29 HydrophobicContact CD2-CG 3.77Å; Y18-R29 HydrophobicContact CE1-CG 3.92Å; Y18-R29 HydrophobicContact CE2-CG 3.59Å; Y18-R29 HydrophobicContact CG-CG 4Å; Y18-R29 PolarHBondContact OH-O 2.81Å; Y18-L32 WeakPolarHBondContact OH-CB 3.3Å; Y18-S33 WeakPolarHBondContact CE2-OG 3.35Å; Y18-S33 PolarHBondContact OH-N 3.34Å; Y18-S33 PolarHBondContact OH-OG 2.95Å
19P95.1Very high96Very high66 Ų6681.8 Ų81.843%0.42943%0.433SS..  trans-68156.3170.431.3-35.5000110.7S21 W22P19-S21 PolarHBondContact O-N 3.12Å; P19-W22 HydrophobicContact CG-CB 4.35Å; P19-W22 HydrophobicContact CG-CG 4.02Å; P19-W22 PolarHBondContact O-N 3.01Å
20E91.8Very high96Very high206 Ų20682.5 Ų82.596%0.96344%0.436SS*.THydrogen-bonded Turntrans-55.3-24.9177.7-64.9-178.3176.500113.6W22E20-W22 PolarHBondContact O-N 3.04Å
21S94.6Very high96.1Very high101 Ų10179.6 Ų79.671%0.70642%0.424SS*.THydrogen-bonded Turntrans-71.2-13.3177.658.80000114.5P19P19-S21 PolarHBondContact O-N 3.12Å
22W96.7Very high96.2Very high93 Ų9375.5 Ų75.535%0.35241%0.413SS..SBendtrans-100.494.9178.8-79.444.4000110.1Y18 P19 E20 L28 R29 L32Y18-W22 HydrophobicContact CD1-CD2 4.25Å; Y18-W22 AromaticContact CD1-CE3 3.61Å; Y18-W22 HydrophobicContact CD1-CE3 3.61Å; Y18-W22 HydrophobicContact CD1-CZ3 4.2Å; Y18-W22 AromaticContact CE1-CE3 3.75Å; Y18-W22 HydrophobicContact CE1-CE3 3.75Å; Y18-W22 AromaticContact CE1-CZ3 3.92Å; Y18-W22 HydrophobicContact CE1-CZ3 3.92Å; P19-W22 HydrophobicContact CG-CB 4.35Å; P19-W22 HydrophobicContact CG-CG 4.02Å; P19-W22 PolarHBondContact O-N 3.01Å; E20-W22 PolarHBondContact O-N 3.04Å; W22-L28 HydrophobicContact CH2-CD2 3.47Å; W22-L28 VanDerWaalsContact CH2-CD2 3.47Å; W22-L28 HydrophobicContact CH2-CG 3.9Å; W22-L28 HydrophobicContact CZ2-CD2 4.12Å; W22-L28 HydrophobicContact CZ3-CD2 4.02Å; W22-L28 HydrophobicContact CZ3-CG 3.95Å; W22-R29 HydrophobicContact CE3-CB 3.91Å; W22-R29 HydrophobicContact CE3-CG 4.37Å; W22-R29 HydrophobicContact CZ3-CB 4.49Å; W22-R29 PolarHBondContact O-NH1 3.33Å; W22-L32 HydrophobicContact CH2-CD1 4.27Å; W22-L32 HydrophobicContact CZ3-CD1 3.99Å
23A95.7Very high96.2Very high53 Ų5372 Ų7244%0.43839%0.391SS..  trans-60.1143.5179.100000112.7D25 G26 R29A23-D25 VanDerWaalsContact CB-OD1 3.28Å; A23-D25 WeakPolarHBondContact CB-OD1 3.49Å; A23-D25 PolarHBondContact O-N 3.36Å; A23-G26 PolarHBondContact O-N 3.09Å; A23-R29 WeakPolarHBondContact O-CD 3.14Å
24E95.3Very high96.3Very high89 Ų8971.2 Ų71.242%0.41639%0.387SS..THydrogen-bonded Turntrans-57.5-32.8-179.7-74176.4-178.400113.3D9 T14 G26 R29 Q30D9-E24 HydrophobicContact CB-CG 4.28Å; T14-E24 PolarHBondContact OG1-OE1 3.1Å; E24-G26 VanDerWaalsContact C-N 3.32Å; E24-R29 VanDerWaalsContact CG-CZ 3.45Å; E24-Q30 VanDerWaalsContact O-CG 3.24Å; E24-Q30 WeakPolarHBondContact O-CG 3.37Å; E24-Q30 PolarHBondContact O-NE2 3.17Å
25D94.9Very high96.4Very high106 Ų10671.5 Ų71.557%0.56739%0.386SS*.THydrogen-bonded Turntrans-86.8-1.5177.570.7-28.9000113.9A23 A27 R100A23-D25 VanDerWaalsContact CB-OD1 3.28Å; A23-D25 WeakPolarHBondContact CB-OD1 3.49Å; A23-D25 PolarHBondContact O-N 3.36Å; D25-A27 PolarHBondContact O-N 3.45Å; D25-R100 PolarHBondContact O-NH1 3.39Å
26G97Very high96.5Very high26 Ų2671.8 Ų71.827%0.26839%0.387SS..  trans-66.2125.3178.600000111.8A23 E24 L28 R29 Q30A23-G26 PolarHBondContact O-N 3.09Å; E24-G26 VanDerWaalsContact C-N 3.32Å; G26-L28 PolarHBondContact O-N 3.48Å; G26-R29 WeakPolarHBondContact O-CB 3.44Å; G26-R29 PolarHBondContact O-N 3.38Å; G26-R29 VanDerWaalsContact O-N 3.11Å; G26-Q30 WeakPolarHBondContact O-CG 3.45Å; G26-Q30 PolarHBondContact O-N 3.42Å
27A97.1Very high96.6Very high50 Ų5064 Ų6441%0.41336%0.359SS..Hα-helixtrans-55.6-45-172.400000113.9D25 R29 Q30 I31 F96D25-A27 PolarHBondContact O-N 3.45Å; A27-R29 PolarHBondContact O-N 2.94Å; A27-Q30 PolarHBondContact O-N 3.01Å; A27-I31 WeakPolarHBondContact O-CB 3.26Å; A27-I31 WeakPolarHBondContact O-CD1 3.45Å; A27-I31 VanDerWaalsContact O-CG1 3.26Å; A27-I31 WeakPolarHBondContact O-CG1 3.31Å; A27-I31 PolarHBondContact O-N 3.01Å; A27-F96 HydrophobicContact CB-CE2 4.25Å; A27-F96 HydrophobicContact CB-CZ 3.8Å
28L96.7Very high96.6Very high104 Ų10460.6 Ų60.655%0.54534%0.338SS..Hα-helixtrans-63-44.2179.4-179.560.4000111.5W22 G26 I31 L32W22-L28 HydrophobicContact CH2-CD2 3.47Å; W22-L28 VanDerWaalsContact CH2-CD2 3.47Å; W22-L28 HydrophobicContact CH2-CG 3.9Å; W22-L28 HydrophobicContact CZ2-CD2 4.12Å; W22-L28 HydrophobicContact CZ3-CD2 4.02Å; W22-L28 HydrophobicContact CZ3-CG 3.95Å; G26-L28 PolarHBondContact O-N 3.48Å; L28-I31 PolarHBondContact O-N 2.95Å; L28-L32 HydrophobicContact CD1-CD1 4.16Å; L28-L32 HydrophobicContact CD1-CG 4.24Å; L28-L32 HydrophobicContact CG-CD1 4.19Å; L28-L32 WeakPolarHBondContact O-CG 3.19Å; L28-L32 PolarHBondContact O-N 3.29Å
29R97.1Very high96.7Very high10 Ų1060.7 Ų60.74%0.03834%0.341CS..Hα-helixtrans-59.4-51.7175.8-175.4-172.2164.9156.7-1.4110.5D9 T14 Y18 W22 A23 E24 G26 A27 I31 L32 S33D9-R29 VanDerWaalsContact CG-NH2 3.34Å; D9-R29 IonicContact OD1-CZ 2.8Å; D9-R29 IonicContact OD1-NE 2.72Å; D9-R29 IonicContact OD1-NH2 3.96Å; D9-R29 PolarHBondContact OD1-NH2 3.05Å; T14-R29 PolarHBondContact OG1-NH2 3.23Å; Y18-R29 HydrophobicContact CD1-CG 4.08Å; Y18-R29 HydrophobicContact CD2-CG 3.77Å; Y18-R29 HydrophobicContact CE1-CG 3.92Å; Y18-R29 HydrophobicContact CE2-CG 3.59Å; Y18-R29 HydrophobicContact CG-CG 4Å; Y18-R29 PolarHBondContact OH-O 2.81Å; W22-R29 HydrophobicContact CE3-CB 3.91Å; W22-R29 HydrophobicContact CE3-CG 4.37Å; W22-R29 HydrophobicContact CZ3-CB 4.49Å; W22-R29 PolarHBondContact O-NH1 3.33Å; A23-R29 WeakPolarHBondContact O-CD 3.14Å; E24-R29 VanDerWaalsContact CG-CZ 3.45Å; G26-R29 WeakPolarHBondContact O-CB 3.44Å; G26-R29 PolarHBondContact O-N 3.38Å; G26-R29 VanDerWaalsContact O-N 3.11Å; A27-R29 PolarHBondContact O-N 2.94Å; R29-I31 VanDerWaalsContact C-N 3.35Å; R29-I31 PolarHBondContact O-N 3.31Å; R29-L32 PolarHBondContact O-N 3.33Å; R29-S33 WeakPolarHBondContact O-CB 3.25Å; R29-S33 PolarHBondContact O-N 3.07Å; R29-S33 PolarHBondContact O-OG 2.99Å
30Q97.8Very high96.8Very high17 Ų1762.5 Ų62.58%0.07935%0.346CS..Hα-helixtrans-57.9-45.4-180-68.6-170.6-32.400111.9L5 E24 G26 A27 S33 L34 F96L5-Q30 HydrophobicContact CD2-CB 4.37Å; L5-Q30 HydrophobicContact CD2-CG 4.14Å; E24-Q30 VanDerWaalsContact O-CG 3.24Å; E24-Q30 WeakPolarHBondContact O-CG 3.37Å; E24-Q30 PolarHBondContact O-NE2 3.17Å; G26-Q30 WeakPolarHBondContact O-CG 3.45Å; G26-Q30 PolarHBondContact O-N 3.42Å; A27-Q30 PolarHBondContact O-N 3.01Å; Q30-S33 PolarHBondContact O-N 2.99Å; Q30-L34 VanDerWaalsContact O-CB 3.23Å; Q30-L34 WeakPolarHBondContact O-CB 3.42Å; Q30-L34 WeakPolarHBondContact O-CG 3.47Å; Q30-L34 PolarHBondContact O-N 2.93Å; Q30-F96 HydrophobicContact CB-CD2 4.12Å; Q30-F96 HydrophobicContact CB-CE2 3.97Å
31I98.1Very high97.1Very high67 Ų6754 Ų5434%0.34432%0.315SS..Hα-helixtrans-62.7-46.3179.2-69.6164.7000111.3A27 L28 R29 L34 L35 V92 F96A27-I31 WeakPolarHBondContact O-CB 3.26Å; A27-I31 WeakPolarHBondContact O-CD1 3.45Å; A27-I31 VanDerWaalsContact O-CG1 3.26Å; A27-I31 WeakPolarHBondContact O-CG1 3.31Å; A27-I31 PolarHBondContact O-N 3.01Å; L28-I31 PolarHBondContact O-N 2.95Å; R29-I31 VanDerWaalsContact C-N 3.35Å; R29-I31 PolarHBondContact O-N 3.31Å; I31-L34 PolarHBondContact O-N 3.18Å; I31-L35 WeakPolarHBondContact O-CB 3.34Å; I31-L35 PolarHBondContact O-N 3.12Å; I31-V92 HydrophobicContact CG2-CG1 4.36Å; I31-F96 HydrophobicContact CD1-CD1 4.45Å; I31-F96 HydrophobicContact CD1-CE1 4.35Å; I31-F96 HydrophobicContact CD1-CE2 4.43Å; I31-F96 HydrophobicContact CD1-CZ 4.34Å; I31-F96 HydrophobicContact CG1-CD1 4.36Å; I31-F96 HydrophobicContact CG1-CD2 3.78Å; I31-F96 HydrophobicContact CG1-CE2 4.04Å; I31-F96 HydrophobicContact CG1-CG 3.95Å; I31-F96 HydrophobicContact CG1-CZ 4.43Å
32L97.9Very high97.2Very high70 Ų7049.9 Ų49.937%0.36629%0.286SS..Hα-helixtrans-65.2-44.5178.5-69.2177.8000111.7Y18 W22 L28 R29 L35 V36Y18-L32 WeakPolarHBondContact OH-CB 3.3Å; W22-L32 HydrophobicContact CH2-CD1 4.27Å; W22-L32 HydrophobicContact CZ3-CD1 3.99Å; L28-L32 HydrophobicContact CD1-CD1 4.16Å; L28-L32 HydrophobicContact CD1-CG 4.24Å; L28-L32 HydrophobicContact CG-CD1 4.19Å; L28-L32 WeakPolarHBondContact O-CG 3.19Å; L28-L32 PolarHBondContact O-N 3.29Å; R29-L32 PolarHBondContact O-N 3.33Å; L32-L35 PolarHBondContact O-N 3.44Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.87Å
33S98.1Very high97.3Very high1 Ų146.2 Ų46.21%0.00728%0.276CS..Hα-helixtrans-60.7-47175.9-62.20000111.6L5 L13 Y18 R29 Q30 L35 V36 V37L5-S33 VanDerWaalsContact CD1-CB 3.4Å; L13-S33 WeakPolarHBondContact CD1-OG 3.33Å; Y18-S33 WeakPolarHBondContact CE2-OG 3.35Å; Y18-S33 PolarHBondContact OH-N 3.34Å; Y18-S33 PolarHBondContact OH-OG 2.95Å; R29-S33 WeakPolarHBondContact O-CB 3.25Å; R29-S33 PolarHBondContact O-N 3.07Å; R29-S33 PolarHBondContact O-OG 2.99Å; Q30-S33 PolarHBondContact O-N 2.99Å; S33-L35 VanDerWaalsContact C-N 3.3Å; S33-L35 PolarHBondContact O-N 2.98Å; S33-V36 PolarHBondContact O-N 3.13Å; S33-V37 WeakPolarHBondContact O-CB 3.49Å; S33-V37 VanDerWaalsContact O-CG2 3.28Å; S33-V37 WeakPolarHBondContact O-CG2 3.37Å; S33-V37 PolarHBondContact O-N 2.84Å
34L98.1Very high97.4Very high1 Ų149.4 Ų49.41%0.00529%0.285CS..Hα-helixtrans-61-40.7176.9-75.3170.8000111.1M1 L5 Q30 I31 T38 V92 F95 F96 V99M1-L34 HydrophobicContact CB-CD2 4.04Å; M1-L34 HydrophobicContact CE-CD2 3.9Å; L5-L34 HydrophobicContact CD2-CD2 4.45Å; L5-L34 HydrophobicContact CD2-CG 4.42Å; Q30-L34 VanDerWaalsContact O-CB 3.23Å; Q30-L34 WeakPolarHBondContact O-CB 3.42Å; Q30-L34 WeakPolarHBondContact O-CG 3.47Å; Q30-L34 PolarHBondContact O-N 2.93Å; I31-L34 PolarHBondContact O-N 3.18Å; L34-T38 WeakPolarHBondContact O-CB 3.47Å; L34-T38 PolarHBondContact O-N 3.31Å; L34-T38 PolarHBondContact O-OG1 3.19Å; L34-V92 HydrophobicContact CB-CG1 3.91Å; L34-V92 HydrophobicContact CB-CG2 4.34Å; L34-F95 HydrophobicContact CD1-CB 4.26Å; L34-F95 HydrophobicContact CD2-CB 4.2Å; L34-F96 HydrophobicContact CD1-CB 3.97Å; L34-F96 HydrophobicContact CD1-CD2 4.32Å; L34-V99 HydrophobicContact CD1-CG2 4.43Å; L34-V99 HydrophobicContact CD2-CG2 4.43Å
35L98.1Very high97.5Very high60 Ų6047 Ų4731%0.31427%0.274SS..Hα-helixtrans-61.1-48.1176.2-172.667.8000111.5I31 L32 S33 N39 S88 V92I31-L35 WeakPolarHBondContact O-CB 3.34Å; I31-L35 PolarHBondContact O-N 3.12Å; L32-L35 PolarHBondContact O-N 3.44Å; S33-L35 VanDerWaalsContact C-N 3.3Å; S33-L35 PolarHBondContact O-N 2.98Å; L35-N39 WeakPolarHBondContact O-CB 3.47Å; L35-N39 PolarHBondContact O-N 3.47Å; L35-N39 VanDerWaalsContact O-N 3.13Å; L35-N39 PolarHBondContact O-ND2 3.02Å; L35-S88 WeakPolarHBondContact CD1-OG 3.37Å; L35-V92 HydrophobicContact CB-CG2 4.38Å; L35-V92 HydrophobicContact CD1-CG2 4.14Å
36V97.8Very high97.7Very high78 Ų7842 Ų4247%0.47325%0.247SC..Hα-helixtrans-64.8-52.8179.3172.60000111.1L32 S33 T38 N39 L40L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.87Å; S33-V36 PolarHBondContact O-N 3.13Å; V36-T38 VanDerWaalsContact C-N 3.34Å; V36-T38 PolarHBondContact O-N 2.56Å; V36-N39 PolarHBondContact O-N 3.22Å; V36-L40 HydrophobicContact CG1-CD1 3.75Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 WeakPolarHBondContact O-CB 3.25Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.19Å
37V97.6Very high97.8Very high26 Ų2644 Ų4416%0.15825%0.251CS..Hα-helixtrans-61.8-41.8-177.7170.70000111.2M1 V4 A8 S33 G41M1-V37 HydrophobicContact CE-CG1 4.39Å; V4-V37 HydrophobicContact CG1-CG1 3.61Å; A8-V37 HydrophobicContact CB-CG2 4.15Å; S33-V37 WeakPolarHBondContact O-CB 3.49Å; S33-V37 VanDerWaalsContact O-CG2 3.28Å; S33-V37 WeakPolarHBondContact O-CG2 3.37Å; S33-V37 PolarHBondContact O-N 2.84Å; V37-G41 PolarHBondContact O-N 2.9Å
38T97.1Very high97.9Very high14 Ų1443.2 Ų43.29%0.08625%0.249CC..Hα-helixtrans-64-44.6178.5-59.60000111.2L34 V36 A42 F95L34-T38 WeakPolarHBondContact O-CB 3.47Å; L34-T38 PolarHBondContact O-N 3.31Å; L34-T38 PolarHBondContact O-OG1 3.19Å; V36-T38 VanDerWaalsContact C-N 3.34Å; V36-T38 PolarHBondContact O-N 2.56Å; T38-A42 WeakPolarHBondContact O-CB 3.25Å; T38-A42 PolarHBondContact O-N 3.37Å; T38-F95 HydrophobicContact CG2-CD2 4.39Å; T38-F95 HydrophobicContact CG2-CE2 3.85Å; T38-F95 WeakPolarHBondContact OG1-CD2 3.31Å
39N98.1Very high98Very high36 Ų3640.2 Ų40.219%0.19323%0.233CC..Hα-helixtrans-67.7-43.4179.6-83.1-76.4000112.6L35 V36 A43 P85 S88L35-N39 WeakPolarHBondContact O-CB 3.47Å; L35-N39 PolarHBondContact O-N 3.47Å; L35-N39 VanDerWaalsContact O-N 3.13Å; L35-N39 PolarHBondContact O-ND2 3.02Å; V36-N39 PolarHBondContact O-N 3.22Å; N39-A43 VanDerWaalsContact O-CB 3.28Å; N39-A43 WeakPolarHBondContact O-CB 3.27Å; N39-A43 PolarHBondContact O-N 2.97Å; N39-P85 WeakPolarHBondContact OD1-CA 3.28Å; N39-S88 WeakPolarHBondContact ND2-CB 3.3Å; N39-S88 PolarHBondContact ND2-OG 3.44Å
40L97.8Very high98Very high104 Ų10439.8 Ų39.855%0.54523%0.231SC..Hα-helixtrans-64.4-46.2176.2-69.4177.1000111.2V36 A43 I44V36-L40 HydrophobicContact CG1-CD1 3.75Å; V36-L40 HydrophobicContact CG1-CG 4.34Å; V36-L40 WeakPolarHBondContact O-CB 3.25Å; V36-L40 WeakPolarHBondContact O-CG 3.45Å; V36-L40 PolarHBondContact O-N 3.19Å; L40-A43 PolarHBondContact O-N 2.9Å; L40-I44 WeakPolarHBondContact O-CB 3.31Å; L40-I44 VanDerWaalsContact O-CG1 3.24Å; L40-I44 WeakPolarHBondContact O-CG1 3.37Å; L40-I44 PolarHBondContact O-N 3.38Å
41G97Very high98.1Very high29 Ų2940.4 Ų40.430%0.29924%0.239SC..Hα-helixtrans-60.2-47177.200000112.2V37 A43 I44 L45V37-G41 PolarHBondContact O-N 2.9Å; G41-A43 PolarHBondContact O-N 3.43Å; G41-I44 PolarHBondContact O-N 2.8Å; G41-L45 WeakPolarHBondContact O-CB 3.46Å; G41-L45 WeakPolarHBondContact O-CG 3.46Å; G41-L45 PolarHBondContact O-N 3.48Å
42A97.5Very high98.1Very high13 Ų1341.7 Ų41.711%0.10725%0.246CC..Hα-helixtrans-61-44.3176.300000111.7T38 Y46 L84T38-A42 WeakPolarHBondContact O-CB 3.25Å; T38-A42 PolarHBondContact O-N 3.37Å; A42-Y46 WeakPolarHBondContact O-CB 3.49Å; A42-Y46 PolarHBondContact O-N 2.73Å; A42-L84 HydrophobicContact CB-CD1 4.44Å; A42-L84 HydrophobicContact CB-CD2 4.29Å
43A98.3Very high98.1Very high17 Ų1738.6 Ų38.614%0.1423%0.231CC..Hα-helixtrans-63-44.4177.400000112.2N39 L40 G41 L47 M81N39-A43 VanDerWaalsContact O-CB 3.28Å; N39-A43 WeakPolarHBondContact O-CB 3.27Å; N39-A43 PolarHBondContact O-N 2.97Å; L40-A43 PolarHBondContact O-N 2.9Å; G41-A43 PolarHBondContact O-N 3.43Å; A43-L47 VanDerWaalsContact O-CB 3.22Å; A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 VanDerWaalsContact O-CG 3.27Å; A43-L47 WeakPolarHBondContact O-CG 3.37Å; A43-L47 PolarHBondContact O-N 2.71Å; A43-M81 HydrophobicContact CB-CE 3.63Å; A43-M81 HydrophobicContact CB-SD 4.3Å
44I98.3Very high98.2Very high120 Ų12039.8 Ų39.862%0.61524%0.235SC*.Hα-helixtrans-64.7-47.4179.2-70.9165.1000110.7L40 G41 G48L40-I44 WeakPolarHBondContact O-CB 3.31Å; L40-I44 VanDerWaalsContact O-CG1 3.24Å; L40-I44 WeakPolarHBondContact O-CG1 3.37Å; L40-I44 PolarHBondContact O-N 3.38Å; G41-I44 PolarHBondContact O-N 2.8Å; I44-G48 VanDerWaalsContact O-CA 3.31Å; I44-G48 WeakPolarHBondContact O-CA 3.27Å; I44-G48 PolarHBondContact O-N 3.11Å
45L98.1Very high98.2Very high37 Ų3747.5 Ų47.519%0.19427%0.265CS..Hα-helixtrans-63.9-48.3178.8-72.4173.1000111G41 L49 Y198 V199G41-L45 WeakPolarHBondContact O-CB 3.46Å; G41-L45 WeakPolarHBondContact O-CG 3.46Å; G41-L45 PolarHBondContact O-N 3.48Å; L45-L49 HydrophobicContact CB-CD1 4.46Å; L45-L49 HydrophobicContact CD2-CD1 4.17Å; L45-L49 WeakPolarHBondContact O-CB 3.06Å; L45-L49 VanDerWaalsContact O-CG 3.3Å; L45-L49 WeakPolarHBondContact O-CG 3.22Å; L45-L49 PolarHBondContact O-N 2.77Å; L45-Y198 HydrophobicContact CD1-CD1 4.12Å; L45-Y198 HydrophobicContact CD1-CE1 3.47Å; L45-Y198 VanDerWaalsContact CD1-CE1 3.47Å; L45-V199 HydrophobicContact CD2-CG2 4.5Å
46Y98.6Very high98.2Very high1 Ų152.9 Ų52.90%0.00429%0.287CS..Hα-helixtrans-62-53.9179.9170.3-115.2000112.3A42 G50 I77 A80 M81 L84 F163 H166A42-Y46 WeakPolarHBondContact O-CB 3.49Å; A42-Y46 PolarHBondContact O-N 2.73Å; Y46-G50 VanDerWaalsContact O-CA 3.27Å; Y46-G50 WeakPolarHBondContact O-CA 3.27Å; Y46-G50 PolarHBondContact O-N 3.49Å; Y46-I77 WeakPolarHBondContact OH-CA 3.43Å; Y46-A80 HydrophobicContact CD1-CB 4.31Å; Y46-A80 HydrophobicContact CE1-CB 3.53Å; Y46-A80 HydrophobicContact CE2-CB 4.14Å; Y46-A80 VanDerWaalsContact CZ-CB 3.41Å; Y46-A80 VanDerWaalsContact OH-CB 3.32Å; Y46-A80 WeakPolarHBondContact OH-CB 3.16Å; Y46-M81 HydrophobicContact CD1-SD 3.99Å; Y46-M81 HydrophobicContact CE1-SD 4.33Å; Y46-L84 HydrophobicContact CD1-CD1 4.43Å; Y46-F163 HydrophobicContact CE1-CD1 4.39Å; Y46-F163 HydrophobicContact CE2-CD1 4.21Å; Y46-F163 AromaticContact CZ-CD1 3.89Å; Y46-F163 WeakPolarHBondContact OH-CB 3.01Å; Y46-F163 PolarHBondContact OH-O 3.39Å; Y46-H166 HydrophobicContact CD2-CB 3.75Å; Y46-H166 AromaticContact CD2-CG 3.74Å; Y46-H166 AromaticContact CD2-ND1 3.53Å; Y46-H166 HydrophobicContact CE2-CB 3.74Å; Y46-H166 AromaticContact CE2-ND1 3.97Å; Y46-H166 HydrophobicContact CG-CB 4.48Å
47L98.7Very high98.2Very high68 Ų6852.6 Ų52.636%0.35628%0.281SS..Hα-helixtrans-70.2-40.3-177.5-65.4173.1000111.4A43 A51 I77 M81A43-L47 VanDerWaalsContact O-CB 3.22Å; A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 VanDerWaalsContact O-CG 3.27Å; A43-L47 WeakPolarHBondContact O-CG 3.37Å; A43-L47 PolarHBondContact O-N 2.71Å; L47-A51 WeakPolarHBondContact O-CB 3.14Å; L47-A51 PolarHBondContact O-N 3.18Å; L47-I77 HydrophobicContact CD2-CG2 3.95Å; L47-M81 HydrophobicContact CD1-CE 4.46Å; L47-M81 HydrophobicContact CD1-SD 4.24Å; L47-M81 HydrophobicContact CD2-SD 4.42Å; L47-M81 HydrophobicContact CG-SD 4.28Å
48G98.6Very high98.2Very high35 Ų3551.7 Ų51.736%0.36128%0.275SS..Hα-helixtrans-67.9-58-179.200000112.4I44 G50 A51 I52I44-G48 VanDerWaalsContact O-CA 3.31Å; I44-G48 WeakPolarHBondContact O-CA 3.27Å; I44-G48 PolarHBondContact O-N 3.11Å; G48-G50 VanDerWaalsContact C-N 3.33Å; G48-G50 PolarHBondContact O-N 3.07Å; G48-A51 PolarHBondContact O-N 2.89Å; G48-I52 VanDerWaalsContact O-CG1 3.32Å; G48-I52 WeakPolarHBondContact O-CG1 3.46Å; G48-I52 PolarHBondContact O-N 3.28Å
49L98.6Very high98.2Very high41 Ų4154 Ų5422%0.21529%0.287CS..Hα-helixtrans-66.8-37.3179.3-61.5173.4000111.3L45 I52 S53 N202 I203 I206L45-L49 HydrophobicContact CB-CD1 4.46Å; L45-L49 HydrophobicContact CD2-CD1 4.17Å; L45-L49 WeakPolarHBondContact O-CB 3.06Å; L45-L49 VanDerWaalsContact O-CG 3.3Å; L45-L49 WeakPolarHBondContact O-CG 3.22Å; L45-L49 PolarHBondContact O-N 2.77Å; L49-I52 PolarHBondContact O-N 3.41Å; L49-S53 PolarHBondContact O-N 2.99Å; L49-N202 HydrophobicContact CD1-CB 4.09Å; L49-I203 HydrophobicContact CD1-CG1 3.73Å; L49-I203 HydrophobicContact CD2-CG1 4.1Å; L49-I206 HydrophobicContact CB-CD1 3.47Å; L49-I206 VanDerWaalsContact CB-CD1 3.47Å; L49-I206 HydrophobicContact CD1-CD1 4.36Å
50G98.6Very high98.2Very high0 Ų055.9 Ų55.90%030%0.295CS..Hα-helixtrans-61.6-44.1174.600000111.9Y46 G48 S53 Y54Y46-G50 VanDerWaalsContact O-CA 3.27Å; Y46-G50 WeakPolarHBondContact O-CA 3.27Å; Y46-G50 PolarHBondContact O-N 3.49Å; G48-G50 VanDerWaalsContact C-N 3.33Å; G48-G50 PolarHBondContact O-N 3.07Å; G50-S53 PolarHBondContact O-N 3.31Å; G50-Y54 WeakPolarHBondContact O-CB 3.32Å; G50-Y54 PolarHBondContact O-N 2.97Å
51A98.7Very high98.1Very high30 Ų3053.8 Ų53.825%0.24828%0.284CS..Hα-helixtrans-65.1-42.817500000112L47 G48 Y54 Y55 F163L47-A51 WeakPolarHBondContact O-CB 3.14Å; L47-A51 PolarHBondContact O-N 3.18Å; G48-A51 PolarHBondContact O-N 2.89Å; A51-Y54 PolarHBondContact O-N 2.91Å; A51-Y55 HydrophobicContact CB-CD2 4.23Å; A51-Y55 HydrophobicContact CB-CE2 4.3Å; A51-Y55 WeakPolarHBondContact O-CD2 3.24Å; A51-Y55 PolarHBondContact O-N 3.19Å; A51-F163 HydrophobicContact CB-CZ 4.32Å
52I98.6Very high98.1Very high94 Ų9452.6 Ų52.648%0.48227%0.271SS..Hα-helixtrans-58.4-51.5176.4-69.5165.8000110.1G48 L49 Y54 F56G48-I52 VanDerWaalsContact O-CG1 3.32Å; G48-I52 WeakPolarHBondContact O-CG1 3.46Å; G48-I52 PolarHBondContact O-N 3.28Å; L49-I52 PolarHBondContact O-N 3.41Å; I52-Y54 PolarHBondContact O-N 2.89Å; I52-F56 HydrophobicContact CG2-CD2 4.25Å; I52-F56 WeakPolarHBondContact O-CB 3.48Å; I52-F56 VanDerWaalsContact O-CD2 3.31Å; I52-F56 WeakPolarHBondContact O-CD2 3.17Å; I52-F56 PolarHBondContact O-N 3.32Å
53S98.6Very high98.1Very high6 Ų655.1 Ų55.14%0.04228%0.281CS..Hα-helixtrans-62.2-43.4177.7175.10000111.4L49 G50 Y55 I57 F58 P162 D210L49-S53 PolarHBondContact O-N 2.99Å; G50-S53 PolarHBondContact O-N 3.31Å; S53-Y55 PolarHBondContact O-N 3.3Å; S53-I57 CarbonylContact O-C 3.57Å; S53-I57 WeakPolarHBondContact O-CA 3.34Å; S53-I57 WeakPolarHBondContact O-CB 3.46Å; S53-I57 PolarHBondContact O-N 3.12Å; S53-F58 PolarHBondContact O-N 3.02Å; S53-P162 VanDerWaalsContact OG-CG 3.23Å; S53-P162 WeakPolarHBondContact OG-CG 3.38Å; S53-D210 VanDerWaalsContact OG-CB 3.23Å; S53-D210 WeakPolarHBondContact OG-CB 3.47Å; S53-D210 PolarHBondContact OG-OD2 3.35Å
54Y98.6Very high98Very high26 Ų2658.6 Ų58.610%0.10229%0.293CS..Hα-helixtrans-61.5-47.5-179.5-176.9-101000112.8G50 A51 I52 F58 H60 V73 F163G50-Y54 WeakPolarHBondContact O-CB 3.32Å; G50-Y54 PolarHBondContact O-N 2.97Å; A51-Y54 PolarHBondContact O-N 2.91Å; I52-Y54 PolarHBondContact O-N 2.89Å; Y54-F58 AromaticContact CD2-CD1 3.89Å; Y54-F58 HydrophobicContact CD2-CD1 3.89Å; Y54-F58 HydrophobicContact CD2-CE1 4.43Å; Y54-F58 HydrophobicContact CD2-CG 4.32Å; Y54-F58 AromaticContact CE2-CD1 3.83Å; Y54-F58 HydrophobicContact CE2-CD1 3.83Å; Y54-F58 HydrophobicContact CE2-CE1 4.02Å; Y54-F58 WeakPolarHBondContact O-CB 3.23Å; Y54-H60 AromaticContact CD1-NE2 3.98Å; Y54-H60 AromaticContact CE1-NE2 3.44Å; Y54-H60 WeakPolarHBondContact CE1-NE2 3.42Å; Y54-H60 AromaticContact CZ-CD2 3.83Å; Y54-H60 AromaticContact CZ-NE2 3.53Å; Y54-H60 PolarHBondContact O-CE1 3.37Å; Y54-V73 HydrophobicContact CE2-CG2 3.76Å; Y54-F163 HydrophobicContact CD1-CE2 4.2Å; Y54-F163 HydrophobicContact CD2-CD2 4.19Å; Y54-F163 HydrophobicContact CD2-CE2 4.02Å; Y54-F163 HydrophobicContact CG-CD2 4.3Å; Y54-F163 AromaticContact CG-CE2 3.68Å; Y54-F163 HydrophobicContact CG-CE2 3.68Å
55Y98.3Very high97.9Very high162 Ų16253.4 Ų53.464%0.63527%0.266SS*.Hα-helixtrans-81.2-29.8-175.7-72.5-66.2000113.9A51 S53A51-Y55 HydrophobicContact CB-CD2 4.23Å; A51-Y55 HydrophobicContact CB-CE2 4.3Å; A51-Y55 WeakPolarHBondContact O-CD2 3.24Å; A51-Y55 PolarHBondContact O-N 3.19Å; S53-Y55 PolarHBondContact O-N 3.3Å
56F98.1Very high97.8Very high174 Ų17455.7 Ų55.776%0.76328%0.283SS*.Hα-helixtrans-111.5-19-171.2-60.8-73.4000115I52I52-F56 HydrophobicContact CG2-CD2 4.25Å; I52-F56 WeakPolarHBondContact O-CB 3.48Å; I52-F56 VanDerWaalsContact O-CD2 3.31Å; I52-F56 WeakPolarHBondContact O-CD2 3.17Å; I52-F56 PolarHBondContact O-N 3.32Å
57I98Very high97.7Very high71 Ų7160.2 Ų60.236%0.36430%0.304SS..THydrogen-bonded Turntrans-118.7-47-174-55.8177.9000111.3S53 D59 D212S53-I57 CarbonylContact O-C 3.57Å; S53-I57 WeakPolarHBondContact O-CA 3.34Å; S53-I57 WeakPolarHBondContact O-CB 3.46Å; S53-I57 PolarHBondContact O-N 3.12Å; I57-D59 PolarHBondContact O-N 2.88Å; I57-D212 HydrophobicContact CG2-CB 3.69Å
58F98.3Very high97.6Very high7 Ų758.3 Ų58.33%0.03129%0.293CS..SBendtrans-63.4124.4-174.8179.5-103.2000112.4S53 Y54 H60 L62 M63 T160 T161 P162 D210S53-F58 PolarHBondContact O-N 3.02Å; Y54-F58 AromaticContact CD2-CD1 3.89Å; Y54-F58 HydrophobicContact CD2-CD1 3.89Å; Y54-F58 HydrophobicContact CD2-CE1 4.43Å; Y54-F58 HydrophobicContact CD2-CG 4.32Å; Y54-F58 AromaticContact CE2-CD1 3.83Å; Y54-F58 HydrophobicContact CE2-CD1 3.83Å; Y54-F58 HydrophobicContact CE2-CE1 4.02Å; Y54-F58 WeakPolarHBondContact O-CB 3.23Å; F58-H60 PolarHBondContact O-N 3.46Å; F58-H60 VanDerWaalsContact O-N 3.13Å; F58-H60 PolarHBondContact O-ND1 2.89Å; F58-L62 HydrophobicContact CD2-CD1 4.39Å; F58-L62 HydrophobicContact CE2-CB 4.25Å; F58-L62 HydrophobicContact CE2-CD1 3.76Å; F58-L62 HydrophobicContact CZ-CB 3.91Å; F58-L62 HydrophobicContact CZ-CD1 4.27Å; F58-M63 HydrophobicContact CE1-CG 3.81Å; F58-M63 HydrophobicContact CE1-SD 4.16Å; F58-M63 HydrophobicContact CZ-CG 4.18Å; F58-T160 WeakPolarHBondContact CE2-O 3.43Å; F58-T161 HydrophobicContact CE1-CG2 4.39Å; F58-T161 HydrophobicContact CE2-CG2 4.21Å; F58-T161 HydrophobicContact CZ-CG2 3.85Å; F58-P162 HydrophobicContact CB-CG 4Å; F58-P162 HydrophobicContact CD2-CG 4.3Å; F58-P162 HydrophobicContact CG-CG 4.36Å; F58-D210 WeakPolarHBondContact CD2-O 3.31Å
59D97.2Very high97.5Very high63 Ų6359.3 Ų59.334%0.33729%0.29SS..  trans-75.8102.1172.5-172.8-12.6000110I57 N61 L62 M266I57-D59 PolarHBondContact O-N 2.88Å; D59-N61 PolarHBondContact O-N 3.01Å; D59-N61 VanDerWaalsContact OD1-CB 3.23Å; D59-N61 WeakPolarHBondContact OD1-CB 3.35Å; D59-N61 PolarHBondContact OD1-N 3.45Å; D59-N61 PolarHBondContact OD1-ND2 3.04Å; D59-L62 VanDerWaalsContact O-CB 3.3Å; D59-L62 WeakPolarHBondContact O-CB 3.32Å; D59-L62 PolarHBondContact O-N 3.47Å; D59-M266 WeakPolarHBondContact OD2-CE 3.3Å
60H97.4Very high97.4Very high75 Ų7563 Ų6335%0.34731%0.306SS..G310 helixtrans-61.6-13.7-178.3-6769.8000113.6Y54 F58 L62 M63Y54-H60 AromaticContact CD1-NE2 3.98Å; Y54-H60 AromaticContact CE1-NE2 3.44Å; Y54-H60 WeakPolarHBondContact CE1-NE2 3.42Å; Y54-H60 AromaticContact CZ-CD2 3.83Å; Y54-H60 AromaticContact CZ-NE2 3.53Å; Y54-H60 PolarHBondContact O-CE1 3.37Å; F58-H60 PolarHBondContact O-N 3.46Å; F58-H60 VanDerWaalsContact O-N 3.13Å; F58-H60 PolarHBondContact O-ND1 2.89Å; H60-L62 PolarHBondContact O-N 2.81Å; H60-M63 HydrophobicContact CB-SD 4.33Å; H60-M63 VanDerWaalsContact O-CB 3.31Å; H60-M63 WeakPolarHBondContact O-CB 3.46Å; H60-M63 WeakPolarHBondContact O-CG 3.36Å; H60-M63 PolarHBondContact O-N 2.85Å; H60-M63 VanDerWaalsContact O-N 3.14Å
61N96.4Very high97.4Very high61 Ų6167.5 Ų67.533%0.32633%0.33SS..G310 helixtrans-64.8-23.5170.9-66.3-63.6000112.7D59 M63 K64 M266D59-N61 PolarHBondContact O-N 3.01Å; D59-N61 VanDerWaalsContact OD1-CB 3.23Å; D59-N61 WeakPolarHBondContact OD1-CB 3.35Å; D59-N61 PolarHBondContact OD1-N 3.45Å; D59-N61 PolarHBondContact OD1-ND2 3.04Å; N61-M63 PolarHBondContact O-N 3.21Å; N61-K64 VanDerWaalsContact O-CB 3.31Å; N61-K64 WeakPolarHBondContact O-CB 3.49Å; N61-K64 PolarHBondContact O-N 3.46Å; N61-K64 PolarHBondContact OD1-NZ 3.3Å; N61-M266 HydrophobicContact CB-CE 3.66Å; N61-M266 HydrophobicContact CB-SD 4.18Å
62L96.6Very high97.4Very high3 Ų366.1 Ų66.12%0.01632%0.319CS..G310 helixtrans-56.1-29.4171.6-79171.2000112.2F58 D59 H60 K64 H65 I159 P265 M266F58-L62 HydrophobicContact CD2-CD1 4.39Å; F58-L62 HydrophobicContact CE2-CB 4.25Å; F58-L62 HydrophobicContact CE2-CD1 3.76Å; F58-L62 HydrophobicContact CZ-CB 3.91Å; F58-L62 HydrophobicContact CZ-CD1 4.27Å; D59-L62 VanDerWaalsContact O-CB 3.3Å; D59-L62 WeakPolarHBondContact O-CB 3.32Å; D59-L62 PolarHBondContact O-N 3.47Å; H60-L62 PolarHBondContact O-N 2.81Å; L62-K64 PolarHBondContact O-N 2.69Å; L62-K64 VanDerWaalsContact O-N 3.12Å; L62-H65 WeakPolarHBondContact O-CB 3.3Å; L62-H65 PolarHBondContact O-N 3.48Å; L62-I159 HydrophobicContact CB-CG2 4.11Å; L62-I159 HydrophobicContact CD2-CG2 4.22Å; L62-P265 HydrophobicContact CD2-CB 3.82Å; L62-M266 HydrophobicContact CB-SD 4.23Å; L62-M266 HydrophobicContact CD2-CG 3.53Å; L62-M266 HydrophobicContact CD2-SD 3.45Å; L62-M266 WeakPolarHBondContact CD2-SD 3.49Å; L62-M266 HydrophobicContact CG-CG 3.88Å; L62-M266 HydrophobicContact CG-SD 3.44Å; L62-M266 WeakPolarHBondContact CG-SD 3.31Å
63M96.9Very high97.4Very high66 Ų6662.7 Ų62.733%0.32530%0.302SS..G310 helixtrans-65.8-14.8179.1-56.5177.459.900113.4F58 H60 N61 H65 F68F58-M63 HydrophobicContact CE1-CG 3.81Å; F58-M63 HydrophobicContact CE1-SD 4.16Å; F58-M63 HydrophobicContact CZ-CG 4.18Å; H60-M63 HydrophobicContact CB-SD 4.33Å; H60-M63 VanDerWaalsContact O-CB 3.31Å; H60-M63 WeakPolarHBondContact O-CB 3.46Å; H60-M63 WeakPolarHBondContact O-CG 3.36Å; H60-M63 PolarHBondContact O-N 2.85Å; H60-M63 VanDerWaalsContact O-N 3.14Å; N61-M63 PolarHBondContact O-N 3.21Å; M63-H65 VanDerWaalsContact C-N 3.3Å; M63-F68 HydrophobicContact CB-CD1 3.97Å; M63-F68 HydrophobicContact CB-CD2 4.42Å; M63-F68 HydrophobicContact CB-CE1 3.83Å; M63-F68 HydrophobicContact CB-CE2 4.29Å; M63-F68 HydrophobicContact CB-CG 4.26Å; M63-F68 HydrophobicContact CB-CZ 4Å; M63-F68 HydrophobicContact CE-CE1 3.83Å; M63-F68 HydrophobicContact CE-CZ 4.01Å; M63-F68 HydrophobicContact CG-CD1 4.46Å; M63-F68 HydrophobicContact CG-CD2 4.46Å; M63-F68 HydrophobicContact CG-CE1 3.89Å; M63-F68 HydrophobicContact CG-CE2 3.9Å; M63-F68 HydrophobicContact CG-CZ 3.58Å; M63-F68 WeakPolarHBondContact O-CB 3.15Å; M63-F68 WeakPolarHBondContact O-CD1 3.37Å; M63-F68 HydrophobicContact SD-CZ 4.43Å
64K96.3Very high97.4Very high91 Ų9168.7 Ų68.740%0.39633%0.329SS..G310 helixtrans-83.8-7175.6-63.2165.11761710112.9N61 L62 V269 L278N61-K64 VanDerWaalsContact O-CB 3.31Å; N61-K64 WeakPolarHBondContact O-CB 3.49Å; N61-K64 PolarHBondContact O-N 3.46Å; N61-K64 PolarHBondContact OD1-NZ 3.3Å; L62-K64 PolarHBondContact O-N 2.69Å; L62-K64 VanDerWaalsContact O-N 3.12Å; K64-V269 HydrophobicContact CB-CG1 4.07Å; K64-V269 HydrophobicContact CD-CG1 4.46Å; K64-L278 HydrophobicContact CB-CD1 4.07Å; K64-L278 HydrophobicContact CB-CD2 3.93Å; K64-L278 HydrophobicContact CB-CG 4.31Å; K64-L278 HydrophobicContact CD-CD2 3.83Å; K64-L278 HydrophobicContact CG-CD2 4.02Å
65H96.7Very high97.4Very high11 Ų1172.3 Ų72.35%0.05134%0.343CS..SBendtrans-63.5140.6-179-171.8-85.3000110.9L62 M63 H67 F68 I159 V269L62-H65 WeakPolarHBondContact O-CB 3.3Å; L62-H65 PolarHBondContact O-N 3.48Å; M63-H65 VanDerWaalsContact C-N 3.3Å; H65-H67 AromaticContact CE1-CD2 3.72Å; H65-H67 AromaticContact CE1-CG 3.99Å; H65-H67 PolarHBondContact ND1-N 3.02Å; H65-H67 VanDerWaalsContact ND1-N 3.11Å; H65-H67 PolarHBondContact O-N 2.89Å; H65-F68 VanDerWaalsContact O-CB 3.25Å; H65-F68 WeakPolarHBondContact O-CB 3.08Å; H65-F68 PolarHBondContact O-N 2.65Å; H65-I159 HydrophobicContact CB-CG1 4Å; H65-I159 HydrophobicContact CB-CG2 4.49Å; H65-I159 VanDerWaalsContact ND1-CG1 3.31Å; H65-I159 WeakPolarHBondContact ND1-CG1 3.33Å; H65-V269 HydrophobicContact CB-CG2 3.81Å
66P95.7Very high97.4Very high85 Ų8564.6 Ų64.655%0.55231%0.312SS*.THydrogen-bonded Turntrans-59-24.9-177-26.934.9000115.4L272P66-L272 HydrophobicContact CG-CD1 3.52Å
67H95.9Very high97.4Very high95 Ų9558.5 Ų58.544%0.4429%0.288SS..THydrogen-bonded Turntrans-90.5-1.4175.2-66.5-38.6000114.5H65 L69 K158 I159H65-H67 AromaticContact CE1-CD2 3.72Å; H65-H67 AromaticContact CE1-CG 3.99Å; H65-H67 PolarHBondContact ND1-N 3.02Å; H65-H67 VanDerWaalsContact ND1-N 3.11Å; H65-H67 PolarHBondContact O-N 2.89Å; H67-L69 PolarHBondContact O-N 3.42Å; H67-K158 HydrophobicContact CB-CB 4.3Å; H67-K158 HydrophobicContact CB-CD 4.38Å; H67-I159 HydrophobicContact CB-CG1 4.21Å
68F97.4Very high97.5Very high28 Ų2862.3 Ų62.312%0.12330%0.301CS..PPolyproline II helixtrans-71126171.3-162.3-95000109.2M63 H65 Q72 V73 I159 T161M63-F68 HydrophobicContact CB-CD1 3.97Å; M63-F68 HydrophobicContact CB-CD2 4.42Å; M63-F68 HydrophobicContact CB-CE1 3.83Å; M63-F68 HydrophobicContact CB-CE2 4.29Å; M63-F68 HydrophobicContact CB-CG 4.26Å; M63-F68 HydrophobicContact CB-CZ 4Å; M63-F68 HydrophobicContact CE-CE1 3.83Å; M63-F68 HydrophobicContact CE-CZ 4.01Å; M63-F68 HydrophobicContact CG-CD1 4.46Å; M63-F68 HydrophobicContact CG-CD2 4.46Å; M63-F68 HydrophobicContact CG-CE1 3.89Å; M63-F68 HydrophobicContact CG-CE2 3.9Å; M63-F68 HydrophobicContact CG-CZ 3.58Å; M63-F68 WeakPolarHBondContact O-CB 3.15Å; M63-F68 WeakPolarHBondContact O-CD1 3.37Å; M63-F68 HydrophobicContact SD-CZ 4.43Å; H65-F68 VanDerWaalsContact O-CB 3.25Å; H65-F68 WeakPolarHBondContact O-CB 3.08Å; H65-F68 PolarHBondContact O-N 2.65Å; F68-Q72 HydrophobicContact CD1-CB 4.31Å; F68-Q72 HydrophobicContact CE1-CB 3.75Å; F68-Q72 HydrophobicContact CE2-CB 4.36Å; F68-Q72 HydrophobicContact CE2-CG 4.4Å; F68-Q72 HydrophobicContact CZ-CB 3.77Å; F68-Q72 HydrophobicContact CZ-CG 4.23Å; F68-V73 HydrophobicContact CZ-CG2 4.38Å; F68-I159 HydrophobicContact CD2-CB 4.18Å; F68-I159 HydrophobicContact CD2-CG2 4.05Å; F68-T161 HydrophobicContact CE2-CG2 3.59Å; F68-T161 HydrophobicContact CZ-CG2 3.82Å
69L97.5Very high97.5Very high56 Ų5664.7 Ų64.729%0.29331%0.31SS..PPolyproline II helixtrans-82.5154.8-172.8-58-179.6000111.4H67 N71 Q72 W157H67-L69 PolarHBondContact O-N 3.42Å; L69-N71 PolarHBondContact O-N 2.84Å; L69-Q72 HydrophobicContact CB-CB 4.08Å; L69-Q72 HydrophobicContact CB-CG 4.41Å; L69-Q72 VanDerWaalsContact O-CB 3.26Å; L69-Q72 WeakPolarHBondContact O-CB 3.43Å; L69-Q72 PolarHBondContact O-N 2.58Å; L69-W157 HydrophobicContact CD1-CE3 3.84Å; L69-W157 HydrophobicContact CD1-CZ3 3.75Å
70E96.4Very high97.6Very high120 Ų12061.7 Ų61.756%0.56129%0.294SS*.THydrogen-bonded Turntrans-65.3134.9173.4-166.4175.3155.100110.6Q72 R75 R281E70-Q72 PolarHBondContact O-N 2.98Å; E70-Q72 VanDerWaalsContact O-N 3.12Å; E70-R75 WeakPolarHBondContact O-CD 3.23Å; E70-R281 IonicContact OE2-NH2 3.64Å
71N97.6Very high97.6Very high94 Ų9461.3 Ų61.350%0.50329%0.294SS..THydrogen-bonded Turntrans51.929.1-175.6-57.5-46.4000113.6L69 V73 Q74 R75L69-N71 PolarHBondContact O-N 2.84Å; N71-V73 PolarHBondContact O-N 2.87Å; N71-Q74 PolarHBondContact O-N 2.96Å; N71-R75 WeakPolarHBondContact O-CG 3.39Å; N71-R75 PolarHBondContact O-N 3.24Å
72Q98.5Very high97.7Very high1 Ų161.8 Ų61.81%0.00530%0.299CS..Hα-helixtrans-54.3-50.1-170.7-178169.6-44.500113.1F68 L69 E70 Q74 R75 E76 W157 I159F68-Q72 HydrophobicContact CD1-CB 4.31Å; F68-Q72 HydrophobicContact CE1-CB 3.75Å; F68-Q72 HydrophobicContact CE2-CB 4.36Å; F68-Q72 HydrophobicContact CE2-CG 4.4Å; F68-Q72 HydrophobicContact CZ-CB 3.77Å; F68-Q72 HydrophobicContact CZ-CG 4.23Å; L69-Q72 HydrophobicContact CB-CB 4.08Å; L69-Q72 HydrophobicContact CB-CG 4.41Å; L69-Q72 VanDerWaalsContact O-CB 3.26Å; L69-Q72 WeakPolarHBondContact O-CB 3.43Å; L69-Q72 PolarHBondContact O-N 2.58Å; E70-Q72 PolarHBondContact O-N 2.98Å; E70-Q72 VanDerWaalsContact O-N 3.12Å; Q72-Q74 VanDerWaalsContact C-N 3.32Å; Q72-Q74 PolarHBondContact O-N 3.24Å; Q72-R75 CarbonylContact O-C 3.56Å; Q72-R75 WeakPolarHBondContact O-CA 3.31Å; Q72-R75 WeakPolarHBondContact O-CB 3.32Å; Q72-R75 PolarHBondContact O-N 3.48Å; Q72-E76 HydrophobicContact CG-CG 4.11Å; Q72-E76 VanDerWaalsContact CG-OE1 3.25Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.48Å; Q72-E76 PolarHBondContact NE2-OE1 3.38Å; Q72-E76 WeakPolarHBondContact O-CG 3.3Å; Q72-E76 PolarHBondContact O-N 3.22Å; Q72-W157 HydrophobicContact CG-CE3 3.59Å; Q72-W157 HydrophobicContact CG-CZ3 3.84Å; Q72-I159 PolarHBondContact NE2-O 2.94Å
73V98.6Very high97.8Very high21 Ų2161.8 Ų61.813%0.12730%0.299CS..Hα-helixtrans-55.9-45.6-180175.60000111.9Y54 F68 N71 R75 E76 I77 T161 F163Y54-V73 HydrophobicContact CE2-CG2 3.76Å; F68-V73 HydrophobicContact CZ-CG2 4.38Å; N71-V73 PolarHBondContact O-N 2.87Å; V73-R75 VanDerWaalsContact C-N 3.31Å; V73-R75 PolarHBondContact O-N 2.89Å; V73-E76 PolarHBondContact O-N 3.01Å; V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 VanDerWaalsContact O-CG1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.29Å; V73-I77 PolarHBondContact O-N 3.3Å; V73-T161 HydrophobicContact CG2-CG2 3.89Å; V73-F163 HydrophobicContact CG1-CD2 3.66Å; V73-F163 HydrophobicContact CG1-CE2 4.03Å; V73-F163 HydrophobicContact CG1-CG 4.49Å
74Q98.6Very high97.8Very high132 Ų13259.5 Ų59.562%0.61729%0.288SS*.Hα-helixtrans-64.8-37.6177.9-66.3173.9-8.300111.7N71 Q72 K78N71-Q74 PolarHBondContact O-N 2.96Å; Q72-Q74 VanDerWaalsContact C-N 3.32Å; Q72-Q74 PolarHBondContact O-N 3.24Å; Q74-K78 WeakPolarHBondContact O-CB 3.23Å; Q74-K78 PolarHBondContact O-N 3.06Å
75R98.7Very high97.9Very high102 Ų10257.7 Ų57.739%0.38529%0.286SS..Hα-helixtrans-71-38.7178.4-65168.658.7-158.7-7.3111.9E70 N71 Q72 V73 Y79 W157E70-R75 WeakPolarHBondContact O-CD 3.23Å; N71-R75 WeakPolarHBondContact O-CG 3.39Å; N71-R75 PolarHBondContact O-N 3.24Å; Q72-R75 CarbonylContact O-C 3.56Å; Q72-R75 WeakPolarHBondContact O-CA 3.31Å; Q72-R75 WeakPolarHBondContact O-CB 3.32Å; Q72-R75 PolarHBondContact O-N 3.48Å; V73-R75 VanDerWaalsContact C-N 3.31Å; V73-R75 PolarHBondContact O-N 2.89Å; R75-Y79 VanDerWaalsContact O-CB 3.25Å; R75-Y79 WeakPolarHBondContact O-CB 3.45Å; R75-Y79 PolarHBondContact O-N 3.36Å; R75-W157 HydrophobicContact CB-CH2 3.53Å; R75-W157 HydrophobicContact CB-CZ2 4.38Å; R75-W157 HydrophobicContact CB-CZ3 4.16Å
76E98.7Very high98Very high0 Ų065.2 Ų65.20%031%0.314CS..Hα-helixtrans-61-53.2173.6-73.2168.8172.400110.4Q72 V73 K78 Y79 A80 W157 T161 F163 A164 A167Q72-E76 HydrophobicContact CG-CG 4.11Å; Q72-E76 VanDerWaalsContact CG-OE1 3.25Å; Q72-E76 WeakPolarHBondContact CG-OE1 3.48Å; Q72-E76 PolarHBondContact NE2-OE1 3.38Å; Q72-E76 WeakPolarHBondContact O-CG 3.3Å; Q72-E76 PolarHBondContact O-N 3.22Å; V73-E76 PolarHBondContact O-N 3.01Å; E76-K78 PolarHBondContact O-N 3.32Å; E76-Y79 PolarHBondContact O-N 2.75Å; E76-A80 WeakPolarHBondContact O-CB 3.3Å; E76-A80 PolarHBondContact O-N 3Å; E76-W157 HydrophobicContact CG-CD2 3.71Å; E76-W157 HydrophobicContact CG-CE3 4.05Å; E76-W157 HydrophobicContact CG-CG 4.11Å; E76-W157 HydrophobicContact CG-CH2 4.4Å; E76-W157 HydrophobicContact CG-CZ2 4.07Å; E76-W157 HydrophobicContact CG-CZ3 4.37Å; E76-T161 WeakPolarHBondContact OE2-CB 3.45Å; E76-T161 PolarHBondContact OE2-OG1 2.64Å; E76-F163 HydrophobicContact CB-CB 4.01Å; E76-A164 HydrophobicContact CG-CB 4.25Å; E76-A164 WeakPolarHBondContact OE1-CB 3.24Å; E76-A164 PolarHBondContact OE2-N 3.43Å; E76-A167 HydrophobicContact CB-CB 4.06Å; E76-A167 HydrophobicContact CG-CB 4.33Å; E76-A167 WeakPolarHBondContact O-CB 3.49Å
77I98.9Very high98.1Very high47 Ų4762.1 Ų62.124%0.24129%0.292CS..Hα-helixtrans-57.7-49.6177-67.9168.5000110.8Y46 L47 V73 Y79 A80 M81 F163Y46-I77 WeakPolarHBondContact OH-CA 3.43Å; L47-I77 HydrophobicContact CD2-CG2 3.95Å; V73-I77 HydrophobicContact CG1-CD1 3.86Å; V73-I77 VanDerWaalsContact O-CG1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.29Å; V73-I77 PolarHBondContact O-N 3.3Å; I77-Y79 VanDerWaalsContact C-N 3.29Å; I77-Y79 PolarHBondContact O-N 3.2Å; I77-A80 PolarHBondContact O-N 3.46Å; I77-M81 HydrophobicContact CG2-CG 4.18Å; I77-M81 WeakPolarHBondContact O-CB 3.16Å; I77-M81 VanDerWaalsContact O-CG 3.26Å; I77-M81 WeakPolarHBondContact O-CG 3.48Å; I77-M81 PolarHBondContact O-N 3.12Å; I77-F163 HydrophobicContact CD1-CD1 3.95Å; I77-F163 HydrophobicContact CD1-CD2 4.09Å; I77-F163 HydrophobicContact CD1-CE1 4.02Å; I77-F163 HydrophobicContact CD1-CE2 4.14Å; I77-F163 HydrophobicContact CD1-CG 3.97Å; I77-F163 HydrophobicContact CD1-CZ 4.1Å; I77-F163 HydrophobicContact CG1-CB 3.89Å; I77-F163 HydrophobicContact CG1-CD1 3.56Å; I77-F163 HydrophobicContact CG1-CD2 4.23Å; I77-F163 HydrophobicContact CG1-CE1 4.09Å; I77-F163 HydrophobicContact CG1-CG 3.62Å
78K98.8Very high98.2Very high151 Ų15157.8 Ų57.866%0.65727%0.273SS*.Hα-helixtrans-58.1-45.2178.8-178.5176.9179.7178.20110.7Q74 E76 M81 T82Q74-K78 WeakPolarHBondContact O-CB 3.23Å; Q74-K78 PolarHBondContact O-N 3.06Å; E76-K78 PolarHBondContact O-N 3.32Å; K78-M81 PolarHBondContact O-N 3.29Å; K78-T82 VanDerWaalsContact O-CG2 3.3Å; K78-T82 WeakPolarHBondContact O-CG2 3.4Å; K78-T82 PolarHBondContact O-N 3.24Å; K78-T82 PolarHBondContact O-OG1 3.1Å; K78-T82 VanDerWaalsContact O-OG1 3.07Å
79Y98.6Very high98.3Very high56 Ų5661 Ų6122%0.2229%0.29CS..Hα-helixtrans-67-46.5-176.7-168.5-149.1000111.6R75 E76 I77 M81 T82 S83 P153 A167 H169R75-Y79 VanDerWaalsContact O-CB 3.25Å; R75-Y79 WeakPolarHBondContact O-CB 3.45Å; R75-Y79 PolarHBondContact O-N 3.36Å; E76-Y79 PolarHBondContact O-N 2.75Å; I77-Y79 VanDerWaalsContact C-N 3.29Å; I77-Y79 PolarHBondContact O-N 3.2Å; Y79-M81 PolarHBondContact O-N 3.25Å; Y79-T82 WeakPolarHBondContact CA-OG1 3.49Å; Y79-T82 PolarHBondContact O-N 3.49Å; Y79-T82 PolarHBondContact O-OG1 2.79Å; Y79-S83 WeakPolarHBondContact O-CB 3.49Å; Y79-S83 PolarHBondContact O-N 3.41Å; Y79-S83 PolarHBondContact O-OG 3.48Å; Y79-P153 HydrophobicContact CE1-CB 3.67Å; Y79-P153 WeakPolarHBondContact OH-CB 3.42Å; Y79-A167 HydrophobicContact CD1-CB 4.25Å; Y79-A167 WeakPolarHBondContact CD1-O 3.32Å; Y79-H169 WeakPolarHBondContact OH-CA 3.21Å; Y79-H169 PolarHBondContact OH-N 3.46Å
80A98.6Very high98.3Very high0 Ų060.4 Ų60.40%029%0.29CS..Hα-helixtrans-56.7-51.4174.200000111.6Y46 E76 I77 T82 S83 L84 H166Y46-A80 HydrophobicContact CD1-CB 4.31Å; Y46-A80 HydrophobicContact CE1-CB 3.53Å; Y46-A80 HydrophobicContact CE2-CB 4.14Å; Y46-A80 VanDerWaalsContact CZ-CB 3.41Å; Y46-A80 VanDerWaalsContact OH-CB 3.32Å; Y46-A80 WeakPolarHBondContact OH-CB 3.16Å; E76-A80 WeakPolarHBondContact O-CB 3.3Å; E76-A80 PolarHBondContact O-N 3Å; I77-A80 PolarHBondContact O-N 3.46Å; A80-T82 PolarHBondContact O-N 3.17Å; A80-S83 PolarHBondContact O-N 2.99Å; A80-L84 VanDerWaalsContact O-CG 3.3Å; A80-L84 WeakPolarHBondContact O-CG 3.43Å; A80-L84 PolarHBondContact O-N 3.05Å; A80-H166 WeakPolarHBondContact CA-O 3.46Å; A80-H166 HydrophobicContact CB-CB 4.11Å; A80-H166 WeakPolarHBondContact CB-O 3.4Å
81M98.6Very high98.4Very high68 Ų6855.2 Ų55.234%0.33527%0.266SS..Hα-helixtrans-64.6-26.7-178.9-68.9-51.8-64.100113.4A43 Y46 L47 I77 K78 Y79 L84 P85A43-M81 HydrophobicContact CB-CE 3.63Å; A43-M81 HydrophobicContact CB-SD 4.3Å; Y46-M81 HydrophobicContact CD1-SD 3.99Å; Y46-M81 HydrophobicContact CE1-SD 4.33Å; L47-M81 HydrophobicContact CD1-CE 4.46Å; L47-M81 HydrophobicContact CD1-SD 4.24Å; L47-M81 HydrophobicContact CD2-SD 4.42Å; L47-M81 HydrophobicContact CG-SD 4.28Å; I77-M81 HydrophobicContact CG2-CG 4.18Å; I77-M81 WeakPolarHBondContact O-CB 3.16Å; I77-M81 VanDerWaalsContact O-CG 3.26Å; I77-M81 WeakPolarHBondContact O-CG 3.48Å; I77-M81 PolarHBondContact O-N 3.12Å; K78-M81 PolarHBondContact O-N 3.29Å; Y79-M81 PolarHBondContact O-N 3.25Å; M81-L84 HydrophobicContact SD-CD1 4.03Å; M81-P85 WeakPolarHBondContact O-CD 3.44Å
82T98.4Very high98.4Very high71 Ų7151.1 Ų51.144%0.43625%0.245SC..Hα-helixtrans-78.6-30.617154.70000113.2K78 Y79 A80K78-T82 VanDerWaalsContact O-CG2 3.3Å; K78-T82 WeakPolarHBondContact O-CG2 3.4Å; K78-T82 PolarHBondContact O-N 3.24Å; K78-T82 PolarHBondContact O-OG1 3.1Å; K78-T82 VanDerWaalsContact O-OG1 3.07Å; Y79-T82 WeakPolarHBondContact CA-OG1 3.49Å; Y79-T82 PolarHBondContact O-N 3.49Å; Y79-T82 PolarHBondContact O-OG1 2.79Å; A80-T82 PolarHBondContact O-N 3.17Å
83S98.2Very high98.4Very high3 Ų354 Ų542%0.02127%0.269CS..Hα-helixtrans-83-36.3-177.4-71.40000113.4Y79 A80 W86 I87 F168Y79-S83 WeakPolarHBondContact O-CB 3.49Å; Y79-S83 PolarHBondContact O-N 3.41Å; Y79-S83 PolarHBondContact O-OG 3.48Å; A80-S83 PolarHBondContact O-N 2.99Å; S83-W86 WeakPolarHBondContact O-CB 3.14Å; S83-W86 PolarHBondContact O-N 2.8Å; S83-I87 WeakPolarHBondContact O-CG1 3.41Å; S83-I87 PolarHBondContact O-N 2.92Å; S83-I87 VanDerWaalsContact O-N 3.1Å; S83-F168 VanDerWaalsContact CB-O 3.31Å; S83-F168 WeakPolarHBondContact CB-O 3.45Å; S83-F168 PolarHBondContact OG-O 3.01Å
84L98.2Very high98.4Very high17 Ų1754.9 Ų54.99%0.08927%0.272CS..Hα-helixtrans-53-44.3-175.6-75.8171.9000113.9A42 Y46 A80 M81 W86 I87 S88A42-L84 HydrophobicContact CB-CD1 4.44Å; A42-L84 HydrophobicContact CB-CD2 4.29Å; Y46-L84 HydrophobicContact CD1-CD1 4.43Å; A80-L84 VanDerWaalsContact O-CG 3.3Å; A80-L84 WeakPolarHBondContact O-CG 3.43Å; A80-L84 PolarHBondContact O-N 3.05Å; M81-L84 HydrophobicContact SD-CD1 4.03Å; L84-W86 VanDerWaalsContact C-N 3.31Å; L84-W86 PolarHBondContact O-N 3.06Å; L84-I87 HydrophobicContact CD2-CD1 4.48Å; L84-I87 PolarHBondContact O-N 3.05Å; L84-S88 WeakPolarHBondContact O-CB 3.36Å; L84-S88 PolarHBondContact O-N 3.29Å
85P98Very high98.4Very high53 Ų5348.9 Ų48.934%0.34424%0.244SC..Hα-helixtrans-58.6-39.3175.4-27.136.5000114N39 M81 S88 I89N39-P85 WeakPolarHBondContact OD1-CA 3.28Å; M81-P85 WeakPolarHBondContact O-CD 3.44Å; P85-S88 PolarHBondContact O-N 2.66Å; P85-S88 PolarHBondContact O-OG 3.31Å; P85-I89 PolarHBondContact O-N 3.04Å
86W98.4Very high98.3Very high169 Ų16946.2 Ų46.264%0.6424%0.236SC*.Hα-helixtrans-71.4-34.9178.7-62.4104.1000112.6S83 L84 S88 I89 P90 P170S83-W86 WeakPolarHBondContact O-CB 3.14Å; S83-W86 PolarHBondContact O-N 2.8Å; L84-W86 VanDerWaalsContact C-N 3.31Å; L84-W86 PolarHBondContact O-N 3.06Å; W86-S88 VanDerWaalsContact C-N 3.3Å; W86-I89 HydrophobicContact CE3-CD1 3.97Å; W86-I89 HydrophobicContact CZ3-CD1 4.38Å; W86-P90 VanDerWaalsContact O-CD 3.29Å; W86-P90 WeakPolarHBondContact O-CD 3.19Å; W86-P170 HydrophobicContact CB-CB 3.58Å; W86-P170 HydrophobicContact CB-CG 3.62Å; W86-P170 HydrophobicContact CG-CG 4.15Å
87I98.4Very high98.3Very high20 Ų2047.4 Ų47.410%0.10325%0.246CC..Hα-helixtrans-66.6-38.5173.6-63161.1000110.1S83 L84 I89 P90 T91 F168 P170 F174S83-I87 WeakPolarHBondContact O-CG1 3.41Å; S83-I87 PolarHBondContact O-N 2.92Å; S83-I87 VanDerWaalsContact O-N 3.1Å; L84-I87 HydrophobicContact CD2-CD1 4.48Å; L84-I87 PolarHBondContact O-N 3.05Å; I87-I89 PolarHBondContact O-N 3.34Å; I87-P90 VanDerWaalsContact O-CD 3.23Å; I87-P90 WeakPolarHBondContact O-CD 3.29Å; I87-P90 WeakPolarHBondContact O-CG 3.27Å; I87-T91 PolarHBondContact O-N 2.92Å; I87-T91 PolarHBondContact O-OG1 3.48Å; I87-T91 VanDerWaalsContact O-OG1 3.06Å; I87-F168 HydrophobicContact CD1-CD2 4.06Å; I87-F168 HydrophobicContact CD1-CE2 3.48Å; I87-F168 VanDerWaalsContact CD1-CE2 3.48Å; I87-P170 HydrophobicContact CG1-CB 4.01Å; I87-P170 WeakPolarHBondContact CG1-O 3.4Å; I87-F174 HydrophobicContact CG2-CB 4.3Å
88S97.8Very high98.2Very high5 Ų545.6 Ų45.64%0.03524%0.236CC..Hα-helixtrans-63.1-29.5-177.278.90000113.1L35 N39 L84 P85 W86 T91 V92L35-S88 WeakPolarHBondContact CD1-OG 3.37Å; N39-S88 WeakPolarHBondContact ND2-CB 3.3Å; N39-S88 PolarHBondContact ND2-OG 3.44Å; L84-S88 WeakPolarHBondContact O-CB 3.36Å; L84-S88 PolarHBondContact O-N 3.29Å; P85-S88 PolarHBondContact O-N 2.66Å; P85-S88 PolarHBondContact O-OG 3.31Å; W86-S88 VanDerWaalsContact C-N 3.3Å; S88-T91 PolarHBondContact O-N 3.35Å; S88-V92 VanDerWaalsContact O-CB 3.3Å; S88-V92 WeakPolarHBondContact O-CB 3.38Å; S88-V92 WeakPolarHBondContact O-CG2 3.33Å; S88-V92 PolarHBondContact O-N 3.47Å
89I98.1Very high98.1Very high95 Ų9539.8 Ų39.849%0.48721%0.213SC..Hα-helixtrans-58.1-59.5-177.3-66.4166.9000111.9P85 W86 I87 T91 V92 A93P85-I89 PolarHBondContact O-N 3.04Å; W86-I89 HydrophobicContact CE3-CD1 3.97Å; W86-I89 HydrophobicContact CZ3-CD1 4.38Å; I87-I89 PolarHBondContact O-N 3.34Å; I89-T91 VanDerWaalsContact C-N 3.32Å; I89-T91 PolarHBondContact O-N 2.88Å; I89-V92 PolarHBondContact O-N 3.36Å; I89-A93 PolarHBondContact O-N 3.31Å
90P98.2Very high98Very high44 Ų4442.9 Ų42.929%0.28623%0.225SC..Hα-helixtrans-68.9-29.417729.1-37.6000112.7W86 I87 A93 L94 F174W86-P90 VanDerWaalsContact O-CD 3.29Å; W86-P90 WeakPolarHBondContact O-CD 3.19Å; I87-P90 VanDerWaalsContact O-CD 3.23Å; I87-P90 WeakPolarHBondContact O-CD 3.29Å; I87-P90 WeakPolarHBondContact O-CG 3.27Å; P90-A93 WeakPolarHBondContact O-CB 3.18Å; P90-A93 PolarHBondContact O-N 2.88Å; P90-L94 PolarHBondContact O-N 2.91Å; P90-F174 HydrophobicContact CB-CD2 3.88Å; P90-F174 HydrophobicContact CB-CE1 4.27Å; P90-F174 HydrophobicContact CB-CE2 3.53Å; P90-F174 HydrophobicContact CB-CG 4.38Å; P90-F174 HydrophobicContact CB-CZ 3.74Å; P90-F174 HydrophobicContact CG-CB 4.41Å; P90-F174 HydrophobicContact CG-CD1 4.3Å; P90-F174 HydrophobicContact CG-CD2 3.46Å; P90-F174 VanDerWaalsContact CG-CD2 3.46Å; P90-F174 HydrophobicContact CG-CE1 4.49Å; P90-F174 HydrophobicContact CG-CE2 3.7Å; P90-F174 HydrophobicContact CG-CG 3.78Å; P90-F174 HydrophobicContact CG-CZ 4.21Å
91T98.3Very high97.9Very high10 Ų1045.7 Ų45.76%0.06125%0.253CS..Hα-helixtrans-65.2-38.5174.6-580000112.1I87 S88 I89 A93 L94 F95I87-T91 PolarHBondContact O-N 2.92Å; I87-T91 PolarHBondContact O-OG1 3.48Å; I87-T91 VanDerWaalsContact O-OG1 3.06Å; S88-T91 PolarHBondContact O-N 3.35Å; I89-T91 VanDerWaalsContact C-N 3.32Å; I89-T91 PolarHBondContact O-N 2.88Å; T91-A93 VanDerWaalsContact C-N 3.28Å; T91-A93 PolarHBondContact O-N 2.89Å; T91-L94 WeakPolarHBondContact O-CB 3.34Å; T91-L94 PolarHBondContact O-N 2.91Å; T91-L94 VanDerWaalsContact O-N 3.07Å; T91-F95 HydrophobicContact CG2-CD1 4.49Å; T91-F95 HydrophobicContact CG2-CD2 4.08Å; T91-F95 HydrophobicContact CG2-CE1 4.11Å; T91-F95 HydrophobicContact CG2-CE2 3.65Å; T91-F95 HydrophobicContact CG2-CG 4.49Å; T91-F95 HydrophobicContact CG2-CZ 3.67Å; T91-F95 WeakPolarHBondContact O-CG 3.25Å; T91-F95 PolarHBondContact O-N 3.03Å
92V98.3Very high97.9Very high8 Ų851 Ų515%0.04827%0.271CS..Hα-helixtrans-64.8-32.6176.6165.30000111.2I31 L34 L35 S88 I89 L94 F95 F96I31-V92 HydrophobicContact CG2-CG1 4.36Å; L34-V92 HydrophobicContact CB-CG1 3.91Å; L34-V92 HydrophobicContact CB-CG2 4.34Å; L35-V92 HydrophobicContact CB-CG2 4.38Å; L35-V92 HydrophobicContact CD1-CG2 4.14Å; S88-V92 VanDerWaalsContact O-CB 3.3Å; S88-V92 WeakPolarHBondContact O-CB 3.38Å; S88-V92 WeakPolarHBondContact O-CG2 3.33Å; S88-V92 PolarHBondContact O-N 3.47Å; I89-V92 PolarHBondContact O-N 3.36Å; V92-L94 VanDerWaalsContact C-N 3.3Å; V92-L94 PolarHBondContact O-N 2.82Å; V92-F95 PolarHBondContact O-N 2.87Å; V92-F96 WeakPolarHBondContact O-CB 3.42Å; V92-F96 PolarHBondContact O-N 3.3Å
93A98.2Very high97.9Very high62 Ų6248.6 Ų48.651%0.51226%0.257SS..Hα-helixtrans-61.9-39.5172.100000111.9I89 P90 T91 A97I89-A93 PolarHBondContact O-N 3.31Å; P90-A93 WeakPolarHBondContact O-CB 3.18Å; P90-A93 PolarHBondContact O-N 2.88Å; T91-A93 VanDerWaalsContact C-N 3.28Å; T91-A93 PolarHBondContact O-N 2.89Å; A93-A97 PolarHBondContact O-N 2.84Å
94L98.3Very high97.8Very high39 Ų3953.5 Ų53.520%0.20428%0.278CS..Hα-helixtrans-67.4-45.8174.3-59.9173.9000111.2P90 T91 V92 F96 A97 E98 F174 L178 H181 F185P90-L94 PolarHBondContact O-N 2.91Å; T91-L94 WeakPolarHBondContact O-CB 3.34Å; T91-L94 PolarHBondContact O-N 2.91Å; T91-L94 VanDerWaalsContact O-N 3.07Å; V92-L94 VanDerWaalsContact C-N 3.3Å; V92-L94 PolarHBondContact O-N 2.82Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.01Å; L94-A97 PolarHBondContact O-N 3.42Å; L94-E98 WeakPolarHBondContact O-CB 3.2Å; L94-E98 PolarHBondContact O-N 3.19Å; L94-F174 HydrophobicContact CD1-CE2 4.36Å; L94-L178 HydrophobicContact CD1-CD1 3.68Å; L94-H181 HydrophobicContact CD1-CB 3.64Å; L94-F185 WeakPolarHBondContact O-CZ 3.48Å
95F98.2Very high97.7Very high7 Ų753.9 Ų53.93%0.03128%0.279CS..Hα-helixtrans-63.7-36.2176.9-68.1-19.7000113.2M1 L34 T38 T91 V92 E98 V99 H181M1-F95 HydrophobicContact CB-CB 4.26Å; M1-F95 HydrophobicContact CB-CG 4.39Å; M1-F95 HydrophobicContact CE-CD2 4.05Å; M1-F95 HydrophobicContact CE-CE2 4.16Å; M1-F95 HydrophobicContact CG-CB 3.84Å; M1-F95 HydrophobicContact CG-CD1 3.51Å; M1-F95 HydrophobicContact CG-CD2 3.75Å; M1-F95 HydrophobicContact CG-CE1 3.84Å; M1-F95 HydrophobicContact CG-CE2 4.06Å; M1-F95 HydrophobicContact CG-CG 3.46Å; M1-F95 VanDerWaalsContact CG-CG 3.46Å; M1-F95 HydrophobicContact CG-CZ 4.1Å; M1-F95 HydrophobicContact SD-CD2 4.17Å; M1-F95 HydrophobicContact SD-CE1 4.42Å; M1-F95 HydrophobicContact SD-CE2 4.01Å; M1-F95 HydrophobicContact SD-CG 4.45Å; M1-F95 HydrophobicContact SD-CZ 4.14Å; L34-F95 HydrophobicContact CD1-CB 4.26Å; L34-F95 HydrophobicContact CD2-CB 4.2Å; T38-F95 HydrophobicContact CG2-CD2 4.39Å; T38-F95 HydrophobicContact CG2-CE2 3.85Å; T38-F95 WeakPolarHBondContact OG1-CD2 3.31Å; T91-F95 HydrophobicContact CG2-CD1 4.49Å; T91-F95 HydrophobicContact CG2-CD2 4.08Å; T91-F95 HydrophobicContact CG2-CE1 4.11Å; T91-F95 HydrophobicContact CG2-CE2 3.65Å; T91-F95 HydrophobicContact CG2-CG 4.49Å; T91-F95 HydrophobicContact CG2-CZ 3.67Å; T91-F95 WeakPolarHBondContact O-CG 3.25Å; T91-F95 PolarHBondContact O-N 3.03Å; V92-F95 PolarHBondContact O-N 2.87Å; F95-E98 WeakPolarHBondContact O-CB 3.24Å; F95-E98 PolarHBondContact O-N 2.97Å; F95-V99 VanDerWaalsContact O-CG2 3.31Å; F95-V99 WeakPolarHBondContact O-CG2 3.34Å; F95-V99 PolarHBondContact O-N 3.28Å; F95-H181 AromaticContact CE1-CE1 3.55Å; F95-H181 AromaticContact CE1-ND1 3.38Å; F95-H181 WeakPolarHBondContact CE1-ND1 3.35Å; F95-H181 AromaticContact CZ-CE1 3.54Å; F95-H181 AromaticContact CZ-ND1 3.88Å
96F98.3Very high97.6Very high46 Ų4652.7 Ų52.720%0.20227%0.268CS..Hα-helixtrans-64.5-48.1174-178.9-113.3000109.9A27 Q30 I31 L34 V92 L94 E98 V99 R100A27-F96 HydrophobicContact CB-CE2 4.25Å; A27-F96 HydrophobicContact CB-CZ 3.8Å; Q30-F96 HydrophobicContact CB-CD2 4.12Å; Q30-F96 HydrophobicContact CB-CE2 3.97Å; I31-F96 HydrophobicContact CD1-CD1 4.45Å; I31-F96 HydrophobicContact CD1-CE1 4.35Å; I31-F96 HydrophobicContact CD1-CE2 4.43Å; I31-F96 HydrophobicContact CD1-CZ 4.34Å; I31-F96 HydrophobicContact CG1-CD1 4.36Å; I31-F96 HydrophobicContact CG1-CD2 3.78Å; I31-F96 HydrophobicContact CG1-CE2 4.04Å; I31-F96 HydrophobicContact CG1-CG 3.95Å; I31-F96 HydrophobicContact CG1-CZ 4.43Å; L34-F96 HydrophobicContact CD1-CB 3.97Å; L34-F96 HydrophobicContact CD1-CD2 4.32Å; V92-F96 WeakPolarHBondContact O-CB 3.42Å; V92-F96 PolarHBondContact O-N 3.3Å; L94-F96 VanDerWaalsContact C-N 3.31Å; L94-F96 PolarHBondContact O-N 3.01Å; F96-E98 PolarHBondContact O-N 3.1Å; F96-V99 PolarHBondContact O-N 3.02Å; F96-V99 VanDerWaalsContact O-N 3.16Å; F96-R100 HydrophobicContact CD1-CG 4.28Å; F96-R100 HydrophobicContact CD2-CG 4.29Å; F96-R100 HydrophobicContact CE1-CG 3.94Å; F96-R100 HydrophobicContact CE2-CG 3.95Å; F96-R100 HydrophobicContact CG-CG 4.45Å; F96-R100 HydrophobicContact CZ-CG 3.76Å; F96-R100 VanDerWaalsContact O-CG 3.26Å; F96-R100 WeakPolarHBondContact O-CG 3.46Å; F96-R100 PolarHBondContact O-N 3.43Å
97A98.3Very high97.5Very high25 Ų2548.5 Ų48.521%0.20726%0.259CS..Hα-helixtrans-57.7-38.5174.900000112.4A93 L94 R100 G101 Y102 F185A93-A97 PolarHBondContact O-N 2.84Å; L94-A97 PolarHBondContact O-N 3.42Å; A97-R100 PolarHBondContact O-N 3.34Å; A97-G101 PolarHBondContact O-N 3.41Å; A97-Y102 HydrophobicContact CB-CD2 4.13Å; A97-Y102 WeakPolarHBondContact O-CB 3.29Å; A97-Y102 WeakPolarHBondContact O-CD2 3.49Å; A97-Y102 PolarHBondContact O-N 2.94Å; A97-F185 HydrophobicContact CB-CE1 4Å; A97-F185 HydrophobicContact CB-CZ 4.1Å
98E96.8Very high97.3Very high9 Ų952.1 Ų52.14%0.04228%0.278CS..Hα-helixtrans-60.6-51.2174.3-172.1-164.699.100111.9M1 L94 F95 F96 R100 G101 S103 L105 F185 Y194M1-E98 WeakPolarHBondContact CA-OE1 3.45Å; M1-E98 VanDerWaalsContact CB-OE1 3.32Å; M1-E98 WeakPolarHBondContact CB-OE1 2.91Å; M1-E98 PolarHBondContact N-OE1 3.4Å; L94-E98 WeakPolarHBondContact O-CB 3.2Å; L94-E98 PolarHBondContact O-N 3.19Å; F95-E98 WeakPolarHBondContact O-CB 3.24Å; F95-E98 PolarHBondContact O-N 2.97Å; F96-E98 PolarHBondContact O-N 3.1Å; E98-R100 PolarHBondContact O-N 3.48Å; E98-G101 PolarHBondContact O-N 3.28Å; E98-S103 WeakPolarHBondContact CG-OG 3.38Å; E98-L105 HydrophobicContact CG-CD1 3.48Å; E98-L105 VanDerWaalsContact CG-CD1 3.48Å; E98-L105 HydrophobicContact CG-CG 4.42Å; E98-F185 HydrophobicContact CB-CZ 4.2Å; E98-Y194 WeakPolarHBondContact OE2-CE1 3.22Å
99V96.7Very high97Very high29 Ų2952.8 Ų52.818%0.17628%0.282CS..Hα-helixtrans-62.3-30.2177.3171.80000111.8M1 D2 L5 L34 F95 F96 G101M1-V99 HydrophobicContact CB-CG2 4.05Å; D2-V99 HydrophobicContact CB-CG2 4.2Å; L5-V99 HydrophobicContact CD2-CG1 4.26Å; L5-V99 HydrophobicContact CD2-CG2 4.47Å; L34-V99 HydrophobicContact CD1-CG2 4.43Å; L34-V99 HydrophobicContact CD2-CG2 4.43Å; F95-V99 VanDerWaalsContact O-CG2 3.31Å; F95-V99 WeakPolarHBondContact O-CG2 3.34Å; F95-V99 PolarHBondContact O-N 3.28Å; F96-V99 PolarHBondContact O-N 3.02Å; F96-V99 VanDerWaalsContact O-N 3.16Å; V99-G101 PolarHBondContact O-N 3.38Å
100R96.9Very high96.7Very high121 Ų12155 Ų5546%0.45730%0.295SS..THydrogen-bonded Turntrans-77.41.9173.8-62.8-49.4-63.8-173.7-0.5113.8D25 F96 A97 E98 Y102D25-R100 PolarHBondContact O-NH1 3.39Å; F96-R100 HydrophobicContact CD1-CG 4.28Å; F96-R100 HydrophobicContact CD2-CG 4.29Å; F96-R100 HydrophobicContact CE1-CG 3.94Å; F96-R100 HydrophobicContact CE2-CG 3.95Å; F96-R100 HydrophobicContact CG-CG 4.45Å; F96-R100 HydrophobicContact CZ-CG 3.76Å; F96-R100 VanDerWaalsContact O-CG 3.26Å; F96-R100 WeakPolarHBondContact O-CG 3.46Å; F96-R100 PolarHBondContact O-N 3.43Å; A97-R100 PolarHBondContact O-N 3.34Å; E98-R100 PolarHBondContact O-N 3.48Å; R100-Y102 HydrophobicContact CB-CD2 3.76Å; R100-Y102 HydrophobicContact CB-CE2 3.7Å
101G96.1Very high96.4Very high58 Ų5857.1 Ų57.160%0.59830%0.304SS*.THydrogen-bonded Turntrans8316.6175.200000114.7A97 E98 V99 S103A97-G101 PolarHBondContact O-N 3.41Å; E98-G101 PolarHBondContact O-N 3.28Å; V99-G101 PolarHBondContact O-N 3.38Å; G101-S103 VanDerWaalsContact C-N 3.31Å
102Y97.8Very high95.9Very high180 Ų18057.7 Ų57.771%0.70631%0.308SS*.  trans-81.2-10.8176.6-65.8-70.1000113.6A97 R100 F185A97-Y102 HydrophobicContact CB-CD2 4.13Å; A97-Y102 WeakPolarHBondContact O-CB 3.29Å; A97-Y102 WeakPolarHBondContact O-CD2 3.49Å; A97-Y102 PolarHBondContact O-N 2.94Å; R100-Y102 HydrophobicContact CB-CD2 3.76Å; R100-Y102 HydrophobicContact CB-CE2 3.7Å; Y102-F185 WeakPolarHBondContact O-CD1 3.15Å
103S97.6Very high95.3Very high20 Ų2063.7 Ų63.714%0.1435%0.347CS..SBendtrans-86.8167.8174.777.40000111.6E98 G101 L105E98-S103 WeakPolarHBondContact CG-OG 3.38Å; G101-S103 VanDerWaalsContact C-N 3.31Å; S103-L105 VanDerWaalsContact C-N 3.3Å; S103-L105 WeakPolarHBondContact OG-CG 3.47Å; S103-L105 PolarHBondContact OG-N 2.94Å
104K96.9Very high95Very high107 Ų10765.4 Ų65.447%0.46535%0.347SS..  trans-96.525.4172.9-57.9173.8178.9-69.40111.7P184 F185 L186 P188 L189K104-P184 WeakPolarHBondContact CA-O 3.44Å; K104-P184 WeakPolarHBondContact CB-O 3.47Å; K104-P184 PolarHBondContact N-O 3.21Å; K104-F185 WeakPolarHBondContact CE-O 3.43Å; K104-L186 WeakPolarHBondContact CD-O 3.39Å; K104-L186 VanDerWaalsContact CE-O 3.31Å; K104-L186 WeakPolarHBondContact CE-O 3.46Å; K104-P188 WeakPolarHBondContact O-CA 3.28Å; K104-L189 PolarHBondContact O-N 2.92Å
105L96.9Very high94.7Very high24 Ų2464.3 Ų64.313%0.12635%0.345CS..EExtended strand (participates in β ladder)trans-69.7139175.3-70.3-179.3000110.8E98 S103 P184 L189 K191 Y194E98-L105 HydrophobicContact CG-CD1 3.48Å; E98-L105 VanDerWaalsContact CG-CD1 3.48Å; E98-L105 HydrophobicContact CG-CG 4.42Å; S103-L105 VanDerWaalsContact C-N 3.3Å; S103-L105 WeakPolarHBondContact OG-CG 3.47Å; S103-L105 PolarHBondContact OG-N 2.94Å; L105-P184 HydrophobicContact CD2-CB 3.61Å; L105-P184 HydrophobicContact CG-CB 3.88Å; L105-L189 VanDerWaalsContact CA-O 3.26Å; L105-L189 WeakPolarHBondContact CA-O 3.31Å; L105-L189 HydrophobicContact CD2-CB 3.93Å; L105-L189 HydrophobicContact CD2-CG 4.35Å; L105-L189 WeakPolarHBondContact CD2-O 3.3Å; L105-K191 HydrophobicContact CB-CG 3.82Å; L105-K191 HydrophobicContact CD1-CG 4.25Å; L105-K191 HydrophobicContact CG-CG 4.47Å; L105-Y194 HydrophobicContact CD1-CD1 3.97Å; L105-Y194 HydrophobicContact CD1-CE1 4.44Å; L105-Y194 HydrophobicContact CD2-CD1 4.06Å; L105-Y194 HydrophobicContact CD2-CG 4.21Å
106Y95.8Very high94.5Very high28 Ų2873 Ų7311%0.1138%0.378CS..EExtended strand (participates in β ladder)trans-129.3156.617964.3-94000111.9N108 D111 P188 L189 H190 K191Y106-N108 WeakPolarHBondContact CD2-O 3.24Å; Y106-N108 WeakPolarHBondContact CE2-O 3.45Å; Y106-D111 HydrophobicContact CD2-CB 3.96Å; Y106-D111 HydrophobicContact CG-CB 4.31Å; Y106-P188 HydrophobicContact CD1-CB 4.22Å; Y106-P188 HydrophobicContact CE1-CB 4.09Å; Y106-L189 WeakPolarHBondContact CD1-O 3.47Å; Y106-L189 PolarHBondContact N-O 3.47Å; Y106-L189 VanDerWaalsContact N-O 3.16Å; Y106-H190 HydrophobicContact CD2-CB 4.26Å; Y106-H190 AromaticContact CD2-CD2 3.9Å; Y106-H190 HydrophobicContact CE1-CB 4.31Å; Y106-H190 VanDerWaalsContact CE1-N 3.33Å; Y106-H190 HydrophobicContact CE2-CB 3.6Å; Y106-H190 AromaticContact CE2-CD2 3.61Å; Y106-K191 WeakPolarHBondContact O-CG 3.25Å; Y106-K191 PolarHBondContact O-N 3.13Å
107D94.9Very high94.3Very high82 Ų8274 Ų7444%0.43939%0.39SS..SBendtrans-92.1-44.2-167.8-73-70.4000113.3H190 K191D107-H190 PolarHBondContact O-CD2 3.05Å; D107-H190 PolarHBondContact O-NE2 2.74Å; D107-K191 VanDerWaalsContact OD1-CD 3.26Å; D107-K191 WeakPolarHBondContact OD1-CD 3.41Å; D107-K191 VanDerWaalsContact OD1-CE 3.31Å; D107-K191 WeakPolarHBondContact OD1-CE 2.97Å; D107-K191 IonicContact OD1-NZ 2.72Å; D107-K191 PolarHBondContact OD1-NZ 3.18Å; D107-K191 IonicContact OD2-NZ 2.86Å; D107-K191 PolarHBondContact OD2-NZ 2.82Å
108N94.9Very high94.1Very high96 Ų9673.1 Ų73.151%0.51338%0.384SS..  trans-110143.8-174.7-53.9-71.8000110.9Y106 D110 D111Y106-N108 WeakPolarHBondContact CD2-O 3.24Å; Y106-N108 WeakPolarHBondContact CE2-O 3.45Å; N108-D110 PolarHBondContact O-N 3.19Å; N108-D111 PolarHBondContact N-OD2 2.78Å; N108-D111 PolarHBondContact ND2-OD2 3.41Å; N108-D111 VanDerWaalsContact O-CB 3.27Å; N108-D111 WeakPolarHBondContact O-CB 2.8Å; N108-D111 PolarHBondContact O-N 3.05Å
109V92.3Very high94Very high18 Ų1873.8 Ų73.811%0.10939%0.388CS..G310 helixtrans-56.4-35.1175.8176.90000111.5D111 S112 W116 L119V109-D111 PolarHBondContact O-N 3.46Å; V109-S112 WeakPolarHBondContact O-CB 3.43Å; V109-S112 PolarHBondContact O-N 3.34Å; V109-S112 VanDerWaalsContact O-N 3.13Å; V109-W116 HydrophobicContact CG1-CD2 3.96Å; V109-W116 HydrophobicContact CG1-CE3 4.45Å; V109-W116 HydrophobicContact CG1-CG 4.01Å; V109-W116 HydrophobicContact CG2-CH2 4.2Å; V109-W116 HydrophobicContact CG2-CZ2 4.25Å; V109-W116 HydrophobicContact CG2-CZ3 4.34Å; V109-L119 HydrophobicContact CG2-CD2 4.3Å
110D91.6Very high93.9Very high141 Ų14178.2 Ų78.275%0.75441%0.405SS*.G310 helixtrans-71.3-12-180-59.4-32.1000113.6N108 S112N108-D110 PolarHBondContact O-N 3.19Å; D110-S112 PolarHBondContact O-N 3.25Å
111D90.9Very high93.9Very high90 Ų9077 Ų7748%0.48141%0.407SS..G310 helixtrans-71.3-17171.8-57.8-29.3000111.4Y106 N108 V109Y106-D111 HydrophobicContact CD2-CB 3.96Å; Y106-D111 HydrophobicContact CG-CB 4.31Å; N108-D111 PolarHBondContact N-OD2 2.78Å; N108-D111 PolarHBondContact ND2-OD2 3.41Å; N108-D111 VanDerWaalsContact O-CB 3.27Å; N108-D111 WeakPolarHBondContact O-CB 2.8Å; N108-D111 PolarHBondContact O-N 3.05Å; V109-D111 PolarHBondContact O-N 3.46Å
112S89.3Confident94Very high21 Ų2174.8 Ų74.815%0.14738%0.382CS..SBendtrans-88.7130.5171.2-173.90000110.7V109 D110 L114 G115V109-S112 WeakPolarHBondContact O-CB 3.43Å; V109-S112 PolarHBondContact O-N 3.34Å; V109-S112 VanDerWaalsContact O-N 3.13Å; D110-S112 PolarHBondContact O-N 3.25Å; S112-L114 PolarHBondContact O-N 3.42Å; S112-L114 PolarHBondContact OG-N 3.47Å; S112-G115 PolarHBondContact O-N 2.79Å
113P85.5Confident94Very high135 Ų13569.1 Ų69.188%0.87736%0.363SS*.THydrogen-bonded Turntrans-62.6-15.1175.726.4-34.8000113.4
114L90.6Very high94Very high98 Ų9871 Ų7151%0.51337%0.371SS..THydrogen-bonded Turntrans-101-2.5177.9-62.4178.7000112.7S112 W116 S117 G118 L121S112-L114 PolarHBondContact O-N 3.42Å; S112-L114 PolarHBondContact OG-N 3.47Å; L114-W116 PolarHBondContact O-N 2.86Å; L114-S117 PolarHBondContact O-N 3.33Å; L114-S117 VanDerWaalsContact O-N 3.1Å; L114-S117 PolarHBondContact O-OG 2.79Å; L114-G118 VanDerWaalsContact CB-CA 3.44Å; L114-G118 PolarHBondContact O-N 3.35Å; L114-G118 VanDerWaalsContact O-N 3.16Å; L114-L121 HydrophobicContact CD1-CD1 4.15Å
115G92.8Very high94.1Very high15 Ų1568.2 Ų68.216%0.15536%0.364CS..Hα-helixtrans48.1-131.9-177.400000113.1S112 S117 G118 L119S112-G115 PolarHBondContact O-N 2.79Å; G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 3.2Å; G115-G118 WeakPolarHBondContact O-CA 3.13Å; G115-G118 PolarHBondContact O-N 3.44Å; G115-L119 PolarHBondContact O-N 3.32Å; G115-L119 VanDerWaalsContact O-N 3.12Å
116W93.7Very high94.1Very high191 Ų19167.1 Ų67.172%0.72336%0.359SS*.Hα-helixtrans-57.4-33.8178.4-70.5102.1000114.3V109 L114 G118 L119 F120V109-W116 HydrophobicContact CG1-CD2 3.96Å; V109-W116 HydrophobicContact CG1-CE3 4.45Å; V109-W116 HydrophobicContact CG1-CG 4.01Å; V109-W116 HydrophobicContact CG2-CH2 4.2Å; V109-W116 HydrophobicContact CG2-CZ2 4.25Å; V109-W116 HydrophobicContact CG2-CZ3 4.34Å; L114-W116 PolarHBondContact O-N 2.86Å; W116-G118 VanDerWaalsContact C-N 3.34Å; W116-L119 HydrophobicContact CE3-CD2 3.79Å; W116-L119 HydrophobicContact CZ3-CD2 3.77Å; W116-L119 VanDerWaalsContact O-CB 3.31Å; W116-L119 WeakPolarHBondContact O-CB 3.47Å; W116-L119 PolarHBondContact O-N 2.64Å; W116-F120 PolarHBondContact O-N 2.89Å; W116-F120 VanDerWaalsContact O-N 3.16Å
117S94.1Very high94.3Very high65 Ų6567.1 Ų67.146%0.45536%0.36SS..Hα-helixtrans-69.1-36176.573.30000111.6L114 G115 L119 F120 L121L114-S117 PolarHBondContact O-N 3.33Å; L114-S117 VanDerWaalsContact O-N 3.1Å; L114-S117 PolarHBondContact O-OG 2.79Å; G115-S117 VanDerWaalsContact C-N 3.26Å; G115-S117 PolarHBondContact O-N 3.2Å; S117-L119 VanDerWaalsContact C-N 3.29Å; S117-L119 PolarHBondContact O-N 3.03Å; S117-F120 PolarHBondContact O-N 3.34Å; S117-L121 WeakPolarHBondContact O-CB 3.47Å; S117-L121 VanDerWaalsContact O-CG 3.28Å; S117-L121 WeakPolarHBondContact O-CG 3.44Å; S117-L121 PolarHBondContact O-N 3.46Å
118G93.6Very high94.4Very high7 Ų767.8 Ų67.87%0.07236%0.36CS..Hα-helixtrans-61.8-39.2172.100000112L114 G115 W116 L121 S122L114-G118 VanDerWaalsContact CB-CA 3.44Å; L114-G118 PolarHBondContact O-N 3.35Å; L114-G118 VanDerWaalsContact O-N 3.16Å; G115-G118 WeakPolarHBondContact O-CA 3.13Å; G115-G118 PolarHBondContact O-N 3.44Å; W116-G118 VanDerWaalsContact C-N 3.34Å; G118-L121 PolarHBondContact O-N 3.28Å; G118-S122 VanDerWaalsContact O-CB 3.31Å; G118-S122 WeakPolarHBondContact O-CB 3.25Å; G118-S122 PolarHBondContact O-N 2.97Å; G118-S122 PolarHBondContact O-OG 3.35Å
119L95Very high94.6Very high24 Ų2465 Ų6513%0.12634%0.343CS..Hα-helixtrans-60.1-50.8176.1-155.268.8000111.2V109 G115 W116 S117 L121 S122 M123 H190 L193V109-L119 HydrophobicContact CG2-CD2 4.3Å; G115-L119 PolarHBondContact O-N 3.32Å; G115-L119 VanDerWaalsContact O-N 3.12Å; W116-L119 HydrophobicContact CE3-CD2 3.79Å; W116-L119 HydrophobicContact CZ3-CD2 3.77Å; W116-L119 VanDerWaalsContact O-CB 3.31Å; W116-L119 WeakPolarHBondContact O-CB 3.47Å; W116-L119 PolarHBondContact O-N 2.64Å; S117-L119 VanDerWaalsContact C-N 3.29Å; S117-L119 PolarHBondContact O-N 3.03Å; L119-L121 PolarHBondContact O-N 3.01Å; L119-S122 PolarHBondContact O-N 3.43Å; L119-S122 PolarHBondContact O-OG 3.19Å; L119-M123 PolarHBondContact O-N 2.96Å; L119-H190 HydrophobicContact CD1-CB 3.19Å; L119-L193 HydrophobicContact CD1-CB 4.05Å; L119-L193 HydrophobicContact CD1-CD2 3.84Å; L119-L193 HydrophobicContact CG-CD2 3.93Å; L119-L193 WeakPolarHBondContact O-CD2 3.26Å
120F95.6Very high94.9Very high122 Ų12264.1 Ų64.154%0.53534%0.338SS..Hα-helixtrans-62.5-43.3177.4-179.6-106.2000112.7W116 S117 S122 M123 I124W116-F120 PolarHBondContact O-N 2.89Å; W116-F120 VanDerWaalsContact O-N 3.16Å; S117-F120 PolarHBondContact O-N 3.34Å; F120-S122 VanDerWaalsContact C-N 3.35Å; F120-S122 PolarHBondContact O-N 3.28Å; F120-M123 HydrophobicContact CD2-CE 3.68Å; F120-M123 HydrophobicContact CE2-CE 3.72Å; F120-M123 WeakPolarHBondContact O-CB 3.5Å; F120-M123 PolarHBondContact O-N 2.82Å; F120-I124 HydrophobicContact CD1-CD1 3.9Å; F120-I124 HydrophobicContact CE1-CD1 3.32Å; F120-I124 HydrophobicContact CE1-CG1 4.38Å; F120-I124 HydrophobicContact CE2-CD1 4.32Å; F120-I124 HydrophobicContact CZ-CD1 3.57Å; F120-I124 HydrophobicContact CZ-CG1 4.36Å; F120-I124 PolarHBondContact O-N 3.03Å; F120-I124 VanDerWaalsContact O-N 3.1Å
121L96.4Very high95.3Very high95 Ų9557.4 Ų57.450%0.49730%0.302SS..Hα-helixtrans-64.8-38.2176.7-70.6172.5000112.2L114 S117 G118 L119 M123 I124 S125L114-L121 HydrophobicContact CD1-CD1 4.15Å; S117-L121 WeakPolarHBondContact O-CB 3.47Å; S117-L121 VanDerWaalsContact O-CG 3.28Å; S117-L121 WeakPolarHBondContact O-CG 3.44Å; S117-L121 PolarHBondContact O-N 3.46Å; G118-L121 PolarHBondContact O-N 3.28Å; L119-L121 PolarHBondContact O-N 3.01Å; L121-M123 VanDerWaalsContact C-N 3.33Å; L121-I124 PolarHBondContact O-N 2.89Å; L121-S125 VanDerWaalsContact O-CB 3.28Å; L121-S125 WeakPolarHBondContact O-CB 3.37Å; L121-S125 PolarHBondContact O-N 3.44Å
122S97Very high95.6Very high11 Ų1156 Ų568%0.07729%0.293CS..Hα-helixtrans-65.3-36.5175.672.30000112G118 L119 F120 S125 F126 Y183 L193G118-S122 VanDerWaalsContact O-CB 3.31Å; G118-S122 WeakPolarHBondContact O-CB 3.25Å; G118-S122 PolarHBondContact O-N 2.97Å; G118-S122 PolarHBondContact O-OG 3.35Å; L119-S122 PolarHBondContact O-N 3.43Å; L119-S122 PolarHBondContact O-OG 3.19Å; F120-S122 VanDerWaalsContact C-N 3.35Å; F120-S122 PolarHBondContact O-N 3.28Å; S122-S125 PolarHBondContact O-N 3.1Å; S122-F126 WeakPolarHBondContact O-CB 3.3Å; S122-F126 PolarHBondContact O-N 2.97Å; S122-Y183 PolarHBondContact O-OH 3.31Å; S122-L193 VanDerWaalsContact OG-CD2 3.24Å; S122-L193 WeakPolarHBondContact OG-CD2 3.49Å
123M97.9Very high96.1Very high61 Ų6156.3 Ų56.330%0.330%0.295SS..Hα-helixtrans-62-49.4172.7-177.3-175.970.200111.4L119 F120 L121 F126 L127 L193 L197L119-M123 PolarHBondContact O-N 2.96Å; F120-M123 HydrophobicContact CD2-CE 3.68Å; F120-M123 HydrophobicContact CE2-CE 3.72Å; F120-M123 WeakPolarHBondContact O-CB 3.5Å; F120-M123 PolarHBondContact O-N 2.82Å; L121-M123 VanDerWaalsContact C-N 3.33Å; M123-F126 PolarHBondContact O-N 3.02Å; M123-L127 WeakPolarHBondContact O-CG 3.44Å; M123-L127 PolarHBondContact O-N 3.42Å; M123-L193 HydrophobicContact CB-CD1 4.39Å; M123-L193 HydrophobicContact CB-CD2 4.19Å; M123-L197 HydrophobicContact CG-CD2 4.12Å
124I98.1Very high96.7Very high60 Ų6050 Ų5031%0.30825%0.254SS..Hα-helixtrans-60.6-49.4177-67.9173.1000110.2F120 L121 F126 L127 F128F120-I124 HydrophobicContact CD1-CD1 3.9Å; F120-I124 HydrophobicContact CE1-CD1 3.32Å; F120-I124 HydrophobicContact CE1-CG1 4.38Å; F120-I124 HydrophobicContact CE2-CD1 4.32Å; F120-I124 HydrophobicContact CZ-CD1 3.57Å; F120-I124 HydrophobicContact CZ-CG1 4.36Å; F120-I124 PolarHBondContact O-N 3.03Å; F120-I124 VanDerWaalsContact O-N 3.1Å; L121-I124 PolarHBondContact O-N 2.89Å; I124-F126 VanDerWaalsContact C-N 3.31Å; I124-F126 PolarHBondContact O-N 3.27Å; I124-L127 PolarHBondContact O-N 2.71Å; I124-L127 VanDerWaalsContact O-N 3.17Å; I124-F128 HydrophobicContact CG2-CD2 3.69Å; I124-F128 HydrophobicContact CG2-CE2 3.81Å; I124-F128 WeakPolarHBondContact O-CD2 3.45Å; I124-F128 PolarHBondContact O-N 3.44Å
125S98.3Very high97.1Very high48 Ų4845.3 Ų45.334%0.33623%0.229SC..Hα-helixtrans-58.3-42.5179.1172.30000111.9L121 S122 F128 F129 Y183L121-S125 VanDerWaalsContact O-CB 3.28Å; L121-S125 WeakPolarHBondContact O-CB 3.37Å; L121-S125 PolarHBondContact O-N 3.44Å; S122-S125 PolarHBondContact O-N 3.1Å; S125-F128 PolarHBondContact O-N 3.1Å; S125-F129 WeakPolarHBondContact O-CB 3.42Å; S125-F129 PolarHBondContact O-N 3.07Å; S125-Y183 WeakPolarHBondContact CB-OH 3.46Å; S125-Y183 PolarHBondContact OG-OH 3.42Å
126F98.7Very high97.4Very high1 Ų150.8 Ų50.80%0.00425%0.246CC..Hα-helixtrans-58.4-49.1174.8178.5-87.1000111.4S122 M123 I124 F129 T130 Y180 Y183 L189 Y194 L197 V201S122-F126 WeakPolarHBondContact O-CB 3.3Å; S122-F126 PolarHBondContact O-N 2.97Å; M123-F126 PolarHBondContact O-N 3.02Å; I124-F126 VanDerWaalsContact C-N 3.31Å; I124-F126 PolarHBondContact O-N 3.27Å; F126-F129 PolarHBondContact O-N 2.72Å; F126-T130 HydrophobicContact CD1-CG2 4.18Å; F126-T130 HydrophobicContact CD2-CG2 4.23Å; F126-T130 HydrophobicContact CE1-CG2 4.01Å; F126-T130 HydrophobicContact CE2-CG2 4.06Å; F126-T130 HydrophobicContact CG-CG2 4.29Å; F126-T130 HydrophobicContact CZ-CG2 3.97Å; F126-T130 VanDerWaalsContact O-CB 3.3Å; F126-T130 WeakPolarHBondContact O-CB 3.45Å; F126-T130 WeakPolarHBondContact O-CG2 3.36Å; F126-T130 PolarHBondContact O-N 3.09Å; F126-T130 PolarHBondContact O-OG1 2.89Å; F126-Y180 AromaticContact CE1-CD1 3.91Å; F126-Y180 HydrophobicContact CE1-CD1 3.91Å; F126-Y180 HydrophobicContact CE1-CE1 4.39Å; F126-Y180 HydrophobicContact CE2-CD1 4.46Å; F126-Y180 AromaticContact CZ-CD1 3.56Å; F126-Y180 HydrophobicContact CZ-CD1 3.56Å; F126-Y180 HydrophobicContact CZ-CE1 4.45Å; F126-Y180 HydrophobicContact CZ-CG 4.3Å; F126-Y183 HydrophobicContact CB-CD2 4.47Å; F126-Y183 HydrophobicContact CB-CE1 4.18Å; F126-Y183 HydrophobicContact CB-CE2 4.16Å; F126-Y183 AromaticContact CD2-CD1 3.66Å; F126-Y183 HydrophobicContact CD2-CD1 3.66Å; F126-Y183 HydrophobicContact CD2-CD2 4.13Å; F126-Y183 HydrophobicContact CD2-CE1 4.14Å; F126-Y183 AromaticContact CD2-CG 3.64Å; F126-Y183 HydrophobicContact CD2-CG 3.64Å; F126-Y183 HydrophobicContact CE2-CD1 4.46Å; F126-Y183 HydrophobicContact CE2-CG 4.32Å; F126-L189 HydrophobicContact CD2-CD2 4.24Å; F126-Y194 HydrophobicContact CE2-CD2 4.43Å; F126-Y194 HydrophobicContact CE2-CE2 4.29Å; F126-L197 HydrophobicContact CB-CD1 4.08Å; F126-L197 HydrophobicContact CD1-CB 4.39Å; F126-L197 HydrophobicContact CD1-CD1 3.75Å; F126-L197 HydrophobicContact CD1-CD2 3.84Å; F126-L197 HydrophobicContact CD1-CG 4.22Å; F126-L197 HydrophobicContact CD2-CD1 4.09Å; F126-L197 HydrophobicContact CE1-CB 3.98Å; F126-L197 HydrophobicContact CE1-CD1 4.13Å; F126-L197 HydrophobicContact CE1-CD2 4.09Å; F126-L197 HydrophobicContact CE1-CG 4.31Å; F126-L197 HydrophobicContact CE2-CD1 4.45Å; F126-L197 HydrophobicContact CG-CD1 3.71Å; F126-L197 HydrophobicContact CZ-CB 4.18Å; F126-L197 HydrophobicContact CZ-CD1 4.45Å; F126-V201 HydrophobicContact CE1-CG2 4.13Å; F126-V201 HydrophobicContact CZ-CG2 4.5Å
127L98.6Very high97.6Very high28 Ų2843.4 Ų43.415%0.14722%0.22CC..Hα-helixtrans-61.5-48.1-180-68175.9000111.7M123 I124 T130 D131 F200 Y243 F244M123-L127 WeakPolarHBondContact O-CG 3.44Å; M123-L127 PolarHBondContact O-N 3.42Å; I124-L127 PolarHBondContact O-N 2.71Å; I124-L127 VanDerWaalsContact O-N 3.17Å; L127-T130 PolarHBondContact O-OG1 3.39Å; L127-D131 WeakPolarHBondContact O-CB 3.42Å; L127-D131 PolarHBondContact O-N 3.45Å; L127-F200 HydrophobicContact CD2-CD1 4.26Å; L127-F200 HydrophobicContact CD2-CE1 3.65Å; L127-Y243 HydrophobicContact CD2-CE1 4.48Å; L127-Y243 HydrophobicContact CD2-CE2 4.33Å; L127-F244 HydrophobicContact CB-CE2 4.32Å
128F98.4Very high97.8Very high96 Ų9640.5 Ų40.542%0.42120%0.199SC..Hα-helixtrans-67.7-39.3179.6-83.5-86.3000113.2I124 S125 M132 F244 L246I124-F128 HydrophobicContact CG2-CD2 3.69Å; I124-F128 HydrophobicContact CG2-CE2 3.81Å; I124-F128 WeakPolarHBondContact O-CD2 3.45Å; I124-F128 PolarHBondContact O-N 3.44Å; S125-F128 PolarHBondContact O-N 3.1Å; F128-M132 WeakPolarHBondContact O-CB 3.44Å; F128-M132 PolarHBondContact O-N 3.15Å; F128-M132 VanDerWaalsContact O-N 3.1Å; F128-F244 HydrophobicContact CE2-CE2 4.5Å; F128-L246 HydrophobicContact CD1-CD2 4.31Å; F128-L246 HydrophobicContact CE1-CD2 3.99Å
129F98.8Very high98Very high37 Ų3744.4 Ų44.416%0.16221%0.212CC..Hα-helixtrans-63.7-49176.9176.5-90.5000110.9S125 F126 M132 C133 P179 Y183 L186 F187S125-F129 WeakPolarHBondContact O-CB 3.42Å; S125-F129 PolarHBondContact O-N 3.07Å; F126-F129 PolarHBondContact O-N 2.72Å; F129-M132 PolarHBondContact O-N 3.23Å; F129-C133 PolarHBondContact O-N 2.91Å; F129-C133 PolarHBondContact O-SG 3.47Å; F129-C133 VanDerWaalsContact O-SG 3.41Å; F129-P179 HydrophobicContact CE1-CB 4.42Å; F129-Y183 HydrophobicContact CB-CD2 3.92Å; F129-Y183 HydrophobicContact CB-CE2 3.96Å; F129-Y183 AromaticContact CD1-CD2 3.58Å; F129-Y183 HydrophobicContact CD1-CD2 3.58Å; F129-Y183 HydrophobicContact CD1-CE2 4.44Å; F129-Y183 HydrophobicContact CD1-CG 4.45Å; F129-Y183 HydrophobicContact CE1-CD2 4.22Å; F129-Y183 AromaticContact CG-CD2 3.78Å; F129-Y183 HydrophobicContact CG-CD2 3.78Å; F129-Y183 HydrophobicContact CG-CE2 4.21Å; F129-L186 HydrophobicContact CE2-CD1 4.11Å; F129-L186 HydrophobicContact CZ-CD1 3.79Å; F129-F187 AromaticContact CD2-CE2 3.92Å; F129-F187 HydrophobicContact CD2-CE2 3.92Å; F129-F187 AromaticContact CE2-CE2 3.94Å; F129-F187 HydrophobicContact CE2-CE2 3.94Å
130T98.7Very high98.2Very high0 Ų049 Ų490%023%0.23CC..Hα-helixtrans-69.1-40.5-177.257.10000111.2F126 L127 M132 C133 I134 P179 Y180F126-T130 HydrophobicContact CD1-CG2 4.18Å; F126-T130 HydrophobicContact CD2-CG2 4.23Å; F126-T130 HydrophobicContact CE1-CG2 4.01Å; F126-T130 HydrophobicContact CE2-CG2 4.06Å; F126-T130 HydrophobicContact CG-CG2 4.29Å; F126-T130 HydrophobicContact CZ-CG2 3.97Å; F126-T130 VanDerWaalsContact O-CB 3.3Å; F126-T130 WeakPolarHBondContact O-CB 3.45Å; F126-T130 WeakPolarHBondContact O-CG2 3.36Å; F126-T130 PolarHBondContact O-N 3.09Å; F126-T130 PolarHBondContact O-OG1 2.89Å; L127-T130 PolarHBondContact O-OG1 3.39Å; T130-M132 VanDerWaalsContact C-N 3.34Å; T130-M132 PolarHBondContact O-N 3.45Å; T130-C133 PolarHBondContact O-N 3.01Å; T130-I134 VanDerWaalsContact O-CB 3.28Å; T130-I134 WeakPolarHBondContact O-CB 3.33Å; T130-I134 WeakPolarHBondContact O-CD1 3.47Å; T130-I134 WeakPolarHBondContact O-CG1 3.44Å; T130-I134 PolarHBondContact O-N 3.2Å; T130-P179 HydrophobicContact CG2-CB 4.31Å; T130-Y180 VanDerWaalsContact CB-CE1 3.5Å; T130-Y180 HydrophobicContact CG2-CD1 3.41Å; T130-Y180 VanDerWaalsContact CG2-CD1 3.41Å; T130-Y180 HydrophobicContact CG2-CE1 3.78Å; T130-Y180 HydrophobicContact CG2-CG 4.43Å
131D98.6Very high98.3Very high0 Ų043.1 Ų43.10%021%0.205CC..Hα-helixtrans-56.5-46.8173.4-162.855.3000112L127 Y135 Q242 Y243 F244 W247L127-D131 WeakPolarHBondContact O-CB 3.42Å; L127-D131 PolarHBondContact O-N 3.45Å; D131-Y135 VanDerWaalsContact O-CB 3.24Å; D131-Y135 WeakPolarHBondContact O-CB 3.43Å; D131-Y135 PolarHBondContact O-N 3.22Å; D131-Q242 PolarHBondContact OD1-N 2.9Å; D131-Y243 HydrophobicContact CB-CD2 3.93Å; D131-Y243 PolarHBondContact OD1-N 2.93Å; D131-F244 HydrophobicContact CB-CD2 4.15Å; D131-F244 PolarHBondContact OD1-N 3.21Å; D131-F244 WeakPolarHBondContact OD2-CB 3.16Å; D131-W247 VanDerWaalsContact OD2-CD1 3.24Å
132M98.6Very high98.3Very high60 Ų6039.2 Ų39.230%0.29618%0.184SC..Hα-helixtrans-60.6-53.7177.8-179.6-174.273.400112F128 F129 T130 I134 Y135 W136 W247F128-M132 WeakPolarHBondContact O-CB 3.44Å; F128-M132 PolarHBondContact O-N 3.15Å; F128-M132 VanDerWaalsContact O-N 3.1Å; F129-M132 PolarHBondContact O-N 3.23Å; T130-M132 VanDerWaalsContact C-N 3.34Å; T130-M132 PolarHBondContact O-N 3.45Å; M132-I134 VanDerWaalsContact C-N 3.34Å; M132-I134 PolarHBondContact O-N 3.07Å; M132-Y135 PolarHBondContact O-N 3.09Å; M132-W136 PolarHBondContact O-N 3.26Å; M132-W247 VanDerWaalsContact CA-NE1 3.32Å; M132-W247 HydrophobicContact CB-CD2 4.19Å; M132-W247 HydrophobicContact CB-CH2 4.18Å; M132-W247 HydrophobicContact CB-CZ2 3.4Å; M132-W247 HydrophobicContact CG-CD2 4.05Å; M132-W247 HydrophobicContact CG-CE3 4.24Å; M132-W247 HydrophobicContact CG-CH2 3.47Å; M132-W247 VanDerWaalsContact CG-CH2 3.47Å; M132-W247 HydrophobicContact CG-CZ2 3.23Å; M132-W247 HydrophobicContact CG-CZ3 3.97Å; M132-W247 HydrophobicContact SD-CH2 3.49Å; M132-W247 WeakPolarHBondContact SD-CH2 3.42Å; M132-W247 HydrophobicContact SD-CZ2 3.57Å; M132-W247 VanDerWaalsContact SD-CZ2 3.57Å; M132-W247 HydrophobicContact SD-CZ3 4.34Å
133C98.8Very high98.3Very high29 Ų2942.6 Ų42.620%0.19620%0.199CC..Hα-helixtrans-64.1-42.3-176-70.90000111.1F129 T130 W136 I137 P179F129-C133 PolarHBondContact O-N 2.91Å; F129-C133 PolarHBondContact O-SG 3.47Å; F129-C133 VanDerWaalsContact O-SG 3.41Å; T130-C133 PolarHBondContact O-N 3.01Å; C133-W136 PolarHBondContact O-N 3.08Å; C133-I137 WeakPolarHBondContact O-CB 3.16Å; C133-I137 VanDerWaalsContact O-CG1 3.23Å; C133-I137 WeakPolarHBondContact O-CG1 3.28Å; C133-I137 PolarHBondContact O-N 3.4Å; C133-P179 HydrophobicContact CB-CB 3.61Å; C133-P179 HydrophobicContact CB-CG 3.46Å; C133-P179 VanDerWaalsContact CB-CG 3.46Å
134I98.6Very high98.2Very high1 Ų148.1 Ų48.11%0.00522%0.221CC..Hα-helixtrans-66.3-43.2179.3-67.3169.5000110.5T130 M132 W136 I137 H138 Q176 P179 Y180 Q242T130-I134 VanDerWaalsContact O-CB 3.28Å; T130-I134 WeakPolarHBondContact O-CB 3.33Å; T130-I134 WeakPolarHBondContact O-CD1 3.47Å; T130-I134 WeakPolarHBondContact O-CG1 3.44Å; T130-I134 PolarHBondContact O-N 3.2Å; M132-I134 VanDerWaalsContact C-N 3.34Å; M132-I134 PolarHBondContact O-N 3.07Å; I134-W136 VanDerWaalsContact C-N 3.29Å; I134-W136 PolarHBondContact O-N 2.82Å; I134-I137 PolarHBondContact O-N 3.41Å; I134-H138 WeakPolarHBondContact O-CB 3.47Å; I134-H138 PolarHBondContact O-N 3.11Å; I134-Q176 WeakPolarHBondContact CG1-O 3.46Å; I134-P179 HydrophobicContact CG1-CB 4.34Å; I134-P179 HydrophobicContact CG1-CG 3.89Å; I134-Y180 HydrophobicContact CD1-CE1 3.69Å; I134-Y180 HydrophobicContact CD1-CE2 3.67Å; I134-Y180 WeakPolarHBondContact CD1-OH 3.14Å; I134-Q242 HydrophobicContact CB-CB 4.31Å; I134-Q242 HydrophobicContact CD1-CB 4.32Å; I134-Q242 HydrophobicContact CD1-CG 4.18Å; I134-Q242 HydrophobicContact CG2-CB 3.99Å
135Y98.8Very high98.2Very high0 Ų051.6 Ų51.60%024%0.239CC..Hα-helixtrans-52.1-48.3174.7166.7-94.9000112.1D131 M132 R139 Y240 W247 G251 S253D131-Y135 VanDerWaalsContact O-CB 3.24Å; D131-Y135 WeakPolarHBondContact O-CB 3.43Å; D131-Y135 PolarHBondContact O-N 3.22Å; M132-Y135 PolarHBondContact O-N 3.09Å; Y135-R139 VanDerWaalsContact O-CB 3.27Å; Y135-R139 WeakPolarHBondContact O-CB 3.31Å; Y135-R139 PolarHBondContact O-N 3.4Å; Y135-R139 PolarHBondContact OH-NH1 2.99Å; Y135-Y240 HydrophobicContact CE2-CD2 4.09Å; Y135-W247 HydrophobicContact CD1-CB 3.58Å; Y135-W247 HydrophobicContact CD1-CG 4.26Å; Y135-W247 HydrophobicContact CD2-CB 3.63Å; Y135-W247 HydrophobicContact CE1-CB 4.02Å; Y135-W247 HydrophobicContact CE2-CB 4.09Å; Y135-W247 HydrophobicContact CG-CB 3.36Å; Y135-W247 HydrophobicContact CG-CG 4.19Å; Y135-W247 VanDerWaalsContact CZ-O 3.32Å; Y135-W247 PolarHBondContact OH-O 3.26Å; Y135-G251 WeakPolarHBondContact OH-CA 3.43Å; Y135-S253 PolarHBondContact OH-OG 3.46Å
136W98.6Very high98.2Very high131 Ų13150.7 Ų50.750%0.49623%0.23SC..Hα-helixtrans-70.6-40.2-179.7-73.4114.9000113M132 C133 I134 F140M132-W136 PolarHBondContact O-N 3.26Å; C133-W136 PolarHBondContact O-N 3.08Å; I134-W136 VanDerWaalsContact C-N 3.29Å; I134-W136 PolarHBondContact O-N 2.82Å; W136-F140 VanDerWaalsContact O-CB 3.22Å; W136-F140 WeakPolarHBondContact O-CB 3.46Å; W136-F140 PolarHBondContact O-N 2.95Å
137I98.7Very high98.1Very high35 Ų3552.9 Ų52.918%0.17924%0.239CC..Hα-helixtrans-63.1-46176-72.7169.5000110.4C133 I134 F140 L141 L175 Q176 P179C133-I137 WeakPolarHBondContact O-CB 3.16Å; C133-I137 VanDerWaalsContact O-CG1 3.23Å; C133-I137 WeakPolarHBondContact O-CG1 3.28Å; C133-I137 PolarHBondContact O-N 3.4Å; I134-I137 PolarHBondContact O-N 3.41Å; I137-F140 WeakPolarHBondContact O-CB 2.96Å; I137-F140 PolarHBondContact O-N 2.74Å; I137-L141 HydrophobicContact CG2-CD1 3.84Å; I137-L141 HydrophobicContact CG2-CG 4.5Å; I137-L141 WeakPolarHBondContact O-CB 3.33Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.06Å; I137-L141 PolarHBondContact O-N 2.81Å; I137-L175 VanDerWaalsContact CD1-O 3.31Å; I137-L175 WeakPolarHBondContact CD1-O 3.33Å; I137-L175 HydrophobicContact CG2-CB 3.75Å; I137-Q176 HydrophobicContact CG2-CG 4.2Å; I137-P179 HydrophobicContact CD1-CG 3.7Å
138H98.4Very high98.1Very high4 Ų459.4 Ų59.42%0.01927%0.266CS..Hα-helixtrans-62.2-52.8178.8-171-171.6000109.8I134 F140 L141 H142 H151 H232 Y240I134-H138 WeakPolarHBondContact O-CB 3.47Å; I134-H138 PolarHBondContact O-N 3.11Å; H138-F140 PolarHBondContact O-N 2.92Å; H138-L141 WeakPolarHBondContact O-CA 3.37Å; H138-L141 WeakPolarHBondContact O-CB 3.48Å; H138-L141 PolarHBondContact O-N 3.41Å; H138-H142 AromaticContact CD2-CD2 3.4Å; H138-H142 PolarHBondContact CD2-CD2 3.17Å; H138-H142 VanDerWaalsContact CD2-CD2 3.4Å; H138-H142 AromaticContact CD2-NE2 3.4Å; H138-H142 PolarHBondContact CD2-NE2 2.91Å; H138-H142 AromaticContact NE2-CD2 3.62Å; H138-H142 AromaticContact NE2-NE2 3.09Å; H138-H142 PolarHBondContact NE2-NE2 2.79Å; H138-H142 PolarHBondContact O-CD2 3.12Å; H138-H142 PolarHBondContact O-N 2.87Å; H138-H142 VanDerWaalsContact O-N 3.08Å; H138-H151 AromaticContact CD2-CE1 3.61Å; H138-H151 AromaticContact CD2-NE2 3.4Å; H138-H151 PolarHBondContact CD2-NE2 2.87Å; H138-H151 AromaticContact NE2-CE1 3.47Å; H138-H151 PolarHBondContact NE2-CE1 2.84Å; H138-H151 AromaticContact NE2-NE2 3.08Å; H138-H151 PolarHBondContact NE2-NE2 2.87Å; H138-H232 AromaticContact CE1-CD2 3.78Å; H138-H232 AromaticContact CE1-CE1 3.6Å; H138-H232 AromaticContact CE1-NE2 3.2Å; H138-H232 PolarHBondContact CE1-NE2 3.5Å; H138-H232 AromaticContact NE2-CD2 3.97Å; H138-H232 AromaticContact NE2-CE1 3.52Å; H138-H232 AromaticContact NE2-NE2 3.01Å; H138-H232 PolarHBondContact NE2-NE2 2.97Å; H138-Y240 PolarHBondContact ND1-O 3.38Å
139R98.1Very high98Very high90 Ų9059.8 Ų59.834%0.3427%0.271SS..Hα-helixtrans-57.5-36.2175.2-171.7172.6-177167.31.3112.9Y135 H142 Y240 G251Y135-R139 VanDerWaalsContact O-CB 3.27Å; Y135-R139 WeakPolarHBondContact O-CB 3.31Å; Y135-R139 PolarHBondContact O-N 3.4Å; Y135-R139 PolarHBondContact OH-NH1 2.99Å; R139-H142 WeakPolarHBondContact O-CB 3.47Å; R139-H142 PolarHBondContact O-N 3.31Å; R139-Y240 HydrophobicContact CB-CD2 4.24Å; R139-Y240 HydrophobicContact CB-CG 4.23Å; R139-Y240 HydrophobicContact CG-CD2 4.27Å; R139-Y240 HydrophobicContact CG-CE2 4.13Å; R139-G251 PolarHBondContact NH1-O 3.45Å; R139-G251 PolarHBondContact NH2-O 3.17Å
140F98Very high98Very high119 Ų11959.9 Ų59.952%0.52227%0.271SS..Hα-helixtrans-66.6-41.1173.7174.8-110.9000112.2W136 I137 H138 H142 H143 I146W136-F140 VanDerWaalsContact O-CB 3.22Å; W136-F140 WeakPolarHBondContact O-CB 3.46Å; W136-F140 PolarHBondContact O-N 2.95Å; I137-F140 WeakPolarHBondContact O-CB 2.96Å; I137-F140 PolarHBondContact O-N 2.74Å; H138-F140 PolarHBondContact O-N 2.92Å; F140-H142 PolarHBondContact O-N 3.22Å; F140-H143 WeakPolarHBondContact O-CA 3.39Å; F140-H143 WeakPolarHBondContact O-CB 3.33Å; F140-H143 PolarHBondContact O-N 2.84Å; F140-I146 HydrophobicContact CD1-CD1 3.58Å; F140-I146 HydrophobicContact CD2-CD1 4.47Å; F140-I146 HydrophobicContact CE1-CD1 3.29Å; F140-I146 HydrophobicContact CE2-CD1 4.24Å; F140-I146 HydrophobicContact CG-CD1 4.18Å; F140-I146 HydrophobicContact CZ-CD1 3.66Å; F140-I146 WeakPolarHBondContact O-CD1 3.08Å
141L98.1Very high97.9Very high0 Ų059.9 Ų59.90%027%0.271CS..Hα-helixtrans-61.5-25.5174.6-76.4163.2000112.8I137 H138 H143 I146 Y147 F150 H151 D172 L175 Q176I137-L141 HydrophobicContact CG2-CD1 3.84Å; I137-L141 HydrophobicContact CG2-CG 4.5Å; I137-L141 WeakPolarHBondContact O-CB 3.33Å; I137-L141 VanDerWaalsContact O-CG 3.3Å; I137-L141 WeakPolarHBondContact O-CG 3.06Å; I137-L141 PolarHBondContact O-N 2.81Å; H138-L141 WeakPolarHBondContact O-CA 3.37Å; H138-L141 WeakPolarHBondContact O-CB 3.48Å; H138-L141 PolarHBondContact O-N 3.41Å; L141-H143 VanDerWaalsContact C-N 3.29Å; L141-I146 HydrophobicContact CD2-CD1 4.27Å; L141-Y147 WeakPolarHBondContact O-CA 3.4Å; L141-Y147 WeakPolarHBondContact O-CB 3.14Å; L141-Y147 PolarHBondContact O-N 2.89Å; L141-F150 HydrophobicContact CD2-CB 4Å; L141-H151 HydrophobicContact CB-CB 3.97Å; L141-D172 VanDerWaalsContact CD1-OD1 3.3Å; L141-D172 WeakPolarHBondContact CD1-OD1 3.48Å; L141-L175 HydrophobicContact CD2-CD1 4.14Å; L141-Q176 HydrophobicContact CD1-CG 3.82Å
142H97.8Very high97.9Very high13 Ų1364.4 Ų64.46%0.0629%0.291CS..THydrogen-bonded Turntrans-78.1-8.1170.4-78.8-86.5000114.5H138 R139 F140 K144 H151 H155 H232 F236 Y240H138-H142 AromaticContact CD2-CD2 3.4Å; H138-H142 PolarHBondContact CD2-CD2 3.17Å; H138-H142 VanDerWaalsContact CD2-CD2 3.4Å; H138-H142 AromaticContact CD2-NE2 3.4Å; H138-H142 PolarHBondContact CD2-NE2 2.91Å; H138-H142 AromaticContact NE2-CD2 3.62Å; H138-H142 AromaticContact NE2-NE2 3.09Å; H138-H142 PolarHBondContact NE2-NE2 2.79Å; H138-H142 PolarHBondContact O-CD2 3.12Å; H138-H142 PolarHBondContact O-N 2.87Å; H138-H142 VanDerWaalsContact O-N 3.08Å; R139-H142 WeakPolarHBondContact O-CB 3.47Å; R139-H142 PolarHBondContact O-N 3.31Å; F140-H142 PolarHBondContact O-N 3.22Å; H142-K144 PolarHBondContact O-N 3.23Å; H142-H151 AromaticContact CD2-CD2 3.54Å; H142-H151 AromaticContact CD2-NE2 3.66Å; H142-H151 AromaticContact CE1-CD2 3.41Å; H142-H151 PolarHBondContact CE1-CD2 3.27Å; H142-H151 VanDerWaalsContact CE1-CD2 3.41Å; H142-H151 AromaticContact CE1-NE2 3.55Å; H142-H151 AromaticContact ND1-CD2 3.95Å; H142-H151 AromaticContact NE2-CD2 3.07Å; H142-H151 PolarHBondContact NE2-CD2 3.42Å; H142-H151 AromaticContact NE2-NE2 2.91Å; H142-H151 PolarHBondContact NE2-NE2 3.13Å; H142-H155 AromaticContact CE1-CD2 3.88Å; H142-H155 AromaticContact CE1-CE1 3.57Å; H142-H155 AromaticContact CE1-NE2 3.22Å; H142-H155 PolarHBondContact CE1-NE2 3.33Å; H142-H155 AromaticContact NE2-NE2 3.45Å; H142-H155 PolarHBondContact NE2-NE2 3.32Å; H142-H232 AromaticContact CD2-CE1 3.91Å; H142-H232 AromaticContact CE1-CE1 3.26Å; H142-H232 PolarHBondContact CE1-CE1 3.17Å; H142-H232 AromaticContact CE1-NE2 3.45Å; H142-H232 PolarHBondContact CE1-NE2 3.19Å; H142-H232 AromaticContact NE2-CE1 2.99Å; H142-H232 PolarHBondContact NE2-CE1 3.48Å; H142-H232 AromaticContact NE2-NE2 3.09Å; H142-H232 PolarHBondContact NE2-NE2 3.44Å; H142-F236 HydrophobicContact CB-CZ 4.14Å; H142-F236 AromaticContact CE1-CD2 3.57Å; H142-F236 AromaticContact CE1-CE2 3.25Å; H142-F236 WeakPolarHBondContact CE1-CE2 3.23Å; H142-F236 AromaticContact CE1-CZ 3.89Å; H142-F236 AromaticContact CG-CZ 3.94Å; H142-F236 AromaticContact ND1-CD2 3.43Å; H142-F236 WeakPolarHBondContact ND1-CD2 3.44Å; H142-F236 AromaticContact ND1-CE1 3.68Å; H142-F236 AromaticContact ND1-CE2 2.8Å; H142-F236 WeakPolarHBondContact ND1-CE2 3.22Å; H142-F236 AromaticContact ND1-CZ 2.97Å; H142-F236 WeakPolarHBondContact ND1-CZ 3.3Å; H142-Y240 HydrophobicContact CB-CE1 3.97Å; H142-Y240 AromaticContact CD2-CD1 3.58Å; H142-Y240 AromaticContact CD2-CE1 3.31Å; H142-Y240 WeakPolarHBondContact CD2-CE1 3.45Å; H142-Y240 AromaticContact CG-CE1 3.51Å; H142-Y240 AromaticContact NE2-CD1 3.94Å; H142-Y240 AromaticContact NE2-CE1 3.75Å
143H97.3Very high97.9Very high82 Ų8262.8 Ų62.838%0.3829%0.285SS..SBendtrans-64.1134.2177.9-170.5-98000111.4F140 L141 L145 I146 Y147F140-H143 WeakPolarHBondContact O-CA 3.39Å; F140-H143 WeakPolarHBondContact O-CB 3.33Å; F140-H143 PolarHBondContact O-N 2.84Å; L141-H143 VanDerWaalsContact C-N 3.29Å; H143-L145 PolarHBondContact O-N 3.02Å; H143-I146 PolarHBondContact O-N 3.25Å; H143-Y147 WeakPolarHBondContact O-CB 3.31Å; H143-Y147 PolarHBondContact O-N 3.02Å
144K95.8Very high97.8Very high176 Ų17661.7 Ų61.777%0.76528%0.277SS*.THydrogen-bonded Turntrans-47.9-29.9-173.365.4-176.4178-177.20115.8H142H142-K144 PolarHBondContact O-N 3.23Å
145L97.1Very high97.8Very high134 Ų13462.2 Ų62.270%0.70228%0.279SS*.THydrogen-bonded Turntrans-74.8-30.4-177.9-62.5179.2000113.3H143H143-L145 PolarHBondContact O-N 3.02Å
146I97.7Very high97.7Very high28 Ų2865.1 Ų65.114%0.14429%0.294CS..THydrogen-bonded Turntrans-119.7-21.3-173.265.5170.9000113.4F140 L141 H143 K148 M149 F150F140-I146 HydrophobicContact CD1-CD1 3.58Å; F140-I146 HydrophobicContact CD2-CD1 4.47Å; F140-I146 HydrophobicContact CE1-CD1 3.29Å; F140-I146 HydrophobicContact CE2-CD1 4.24Å; F140-I146 HydrophobicContact CG-CD1 4.18Å; F140-I146 HydrophobicContact CZ-CD1 3.66Å; F140-I146 WeakPolarHBondContact O-CD1 3.08Å; L141-I146 HydrophobicContact CD2-CD1 4.27Å; H143-I146 PolarHBondContact O-N 3.25Å; I146-K148 PolarHBondContact O-N 2.83Å; I146-M149 PolarHBondContact O-N 3.41Å; I146-F150 HydrophobicContact CB-CD2 4.04Å; I146-F150 PolarHBondContact O-N 3.34Å
147Y97.4Very high97.6Very high48 Ų4859.1 Ų59.119%0.18827%0.271CS..Hα-helixtrans-48.6-54.8-178.9167.9-112.7000112.8L141 H143 M149 F150 H151 K152 H155 F236L141-Y147 WeakPolarHBondContact O-CA 3.4Å; L141-Y147 WeakPolarHBondContact O-CB 3.14Å; L141-Y147 PolarHBondContact O-N 2.89Å; H143-Y147 WeakPolarHBondContact O-CB 3.31Å; H143-Y147 PolarHBondContact O-N 3.02Å; Y147-M149 PolarHBondContact O-N 2.75Å; Y147-F150 PolarHBondContact O-N 3.46Å; Y147-H151 HydrophobicContact CD2-CB 3.96Å; Y147-H151 HydrophobicContact CE2-CB 4.37Å; Y147-H151 PolarHBondContact O-N 3.44Å; Y147-K152 HydrophobicContact CD1-CB 4.31Å; Y147-K152 HydrophobicContact CD2-CB 4.34Å; Y147-K152 HydrophobicContact CE1-CB 3.83Å; Y147-K152 HydrophobicContact CE1-CD 4.24Å; Y147-K152 HydrophobicContact CE1-CG 4.08Å; Y147-K152 VanDerWaalsContact CE2-CA 3.43Å; Y147-K152 HydrophobicContact CE2-CB 3.79Å; Y147-K152 VanDerWaalsContact CE2-N 3.31Å; Y147-K152 WeakPolarHBondContact O-CB 3.48Å; Y147-K152 PolarHBondContact O-N 3.11Å; Y147-H155 HydrophobicContact CE2-CB 4.31Å; Y147-H155 WeakPolarHBondContact OH-CB 3.19Å; Y147-F236 HydrophobicContact CD1-CE2 4.26Å; Y147-F236 AromaticContact CD1-CZ 3.8Å; Y147-F236 HydrophobicContact CD1-CZ 3.8Å; Y147-F236 AromaticContact CD2-CE2 3.49Å; Y147-F236 HydrophobicContact CD2-CE2 3.49Å; Y147-F236 VanDerWaalsContact CD2-CE2 3.49Å; Y147-F236 AromaticContact CD2-CZ 3.43Å; Y147-F236 HydrophobicContact CD2-CZ 3.43Å; Y147-F236 VanDerWaalsContact CD2-CZ 3.43Å; Y147-F236 AromaticContact CE1-CE2 3.82Å; Y147-F236 HydrophobicContact CE1-CE2 3.82Å; Y147-F236 AromaticContact CE1-CZ 3.76Å; Y147-F236 HydrophobicContact CE1-CZ 3.76Å; Y147-F236 HydrophobicContact CE2-CD2 4.14Å; Y147-F236 AromaticContact CE2-CE2 3.02Å; Y147-F236 HydrophobicContact CE2-CE2 3.02Å; Y147-F236 AromaticContact CE2-CZ 3.48Å; Y147-F236 HydrophobicContact CE2-CZ 3.48Å; Y147-F236 VanDerWaalsContact CE2-CZ 3.48Å; Y147-F236 HydrophobicContact CG-CE2 4.1Å; Y147-F236 AromaticContact CG-CZ 3.62Å; Y147-F236 HydrophobicContact CG-CZ 3.62Å; Y147-F236 AromaticContact CZ-CE2 3.15Å; Y147-F236 AromaticContact CZ-CZ 3.58Å; Y147-F236 WeakPolarHBondContact OH-CE2 3.37Å
148K97.5Very high97.6Very high164 Ų16461.5 Ų61.571%0.71328%0.28SS*.Hα-helixtrans-56.7-31.8-175.7-174.5-179.7175.4-174.20112.6I146 K152I146-K148 PolarHBondContact O-N 2.83Å; K148-K152 HydrophobicContact CG-CD 4.23Å
149M97.4Very high97.5Very high105 Ų10561.5 Ų61.552%0.51728%0.281SS..Hα-helixtrans-87.6-48.3-175.3-177.217248.900111.9I146 Y147I146-M149 PolarHBondContact O-N 3.41Å; Y147-M149 PolarHBondContact O-N 2.75Å
150F97.9Very high97.5Very high38 Ų3857.4 Ų57.417%0.16727%0.266CS..Hα-helixtrans-101.8-40.5-168.7-61.7-39.7000113.8L141 I146 Y147 H169 V171 D172L141-F150 HydrophobicContact CD2-CB 4Å; I146-F150 HydrophobicContact CB-CD2 4.04Å; I146-F150 PolarHBondContact O-N 3.34Å; Y147-F150 PolarHBondContact O-N 3.46Å; F150-H169 AromaticContact CD1-CE1 3.45Å; F150-H169 VanDerWaalsContact CD1-CE1 3.45Å; F150-H169 WeakPolarHBondContact CD1-CE1 3.5Å; F150-H169 AromaticContact CD1-CG 3.98Å; F150-H169 AromaticContact CD1-ND1 3.41Å; F150-H169 WeakPolarHBondContact CD1-ND1 3.39Å; F150-H169 AromaticContact CD1-NE2 3.98Å; F150-H169 AromaticContact CE1-CE1 3.58Å; F150-H169 AromaticContact CE1-ND1 3.98Å; F150-H169 WeakPolarHBondContact O-CB 3.39Å; F150-V171 HydrophobicContact CD1-CB 3.84Å; F150-V171 HydrophobicContact CD1-CG1 4.13Å; F150-V171 HydrophobicContact CD1-CG2 4.26Å; F150-V171 HydrophobicContact CD2-CG1 3.98Å; F150-V171 HydrophobicContact CE1-CB 3.89Å; F150-V171 HydrophobicContact CE1-CG1 4.09Å; F150-V171 HydrophobicContact CE1-CG2 3.83Å; F150-V171 HydrophobicContact CE2-CG1 3.93Å; F150-V171 HydrophobicContact CG-CB 4.2Å; F150-V171 HydrophobicContact CG-CG1 4.08Å; F150-V171 HydrophobicContact CZ-CB 4.27Å; F150-V171 HydrophobicContact CZ-CG1 3.98Å; F150-V171 HydrophobicContact CZ-CG2 4.19Å; F150-D172 HydrophobicContact CB-CB 4.49Å; F150-D172 WeakPolarHBondContact O-CB 3.47Å
151H97.9Very high97.5Very high0 Ų051.8 Ų51.80%024%0.241CC..THydrogen-bonded Turntrans-110.3-23.6-168.1-162.961.6000114H138 L141 H142 Y147 P153 H154 H155 D172H138-H151 AromaticContact CD2-CE1 3.61Å; H138-H151 AromaticContact CD2-NE2 3.4Å; H138-H151 PolarHBondContact CD2-NE2 2.87Å; H138-H151 AromaticContact NE2-CE1 3.47Å; H138-H151 PolarHBondContact NE2-CE1 2.84Å; H138-H151 AromaticContact NE2-NE2 3.08Å; H138-H151 PolarHBondContact NE2-NE2 2.87Å; L141-H151 HydrophobicContact CB-CB 3.97Å; H142-H151 AromaticContact CD2-CD2 3.54Å; H142-H151 AromaticContact CD2-NE2 3.66Å; H142-H151 AromaticContact CE1-CD2 3.41Å; H142-H151 PolarHBondContact CE1-CD2 3.27Å; H142-H151 VanDerWaalsContact CE1-CD2 3.41Å; H142-H151 AromaticContact CE1-NE2 3.55Å; H142-H151 AromaticContact ND1-CD2 3.95Å; H142-H151 AromaticContact NE2-CD2 3.07Å; H142-H151 PolarHBondContact NE2-CD2 3.42Å; H142-H151 AromaticContact NE2-NE2 2.91Å; H142-H151 PolarHBondContact NE2-NE2 3.13Å; Y147-H151 HydrophobicContact CD2-CB 3.96Å; Y147-H151 HydrophobicContact CE2-CB 4.37Å; Y147-H151 PolarHBondContact O-N 3.44Å; H151-P153 VanDerWaalsContact C-N 3.31Å; H151-H154 AromaticContact CE1-CD2 3.73Å; H151-H154 WeakPolarHBondContact O-CB 3.19Å; H151-H154 PolarHBondContact O-N 3.26Å; H151-H155 AromaticContact CD2-CD2 3.23Å; H151-H155 PolarHBondContact CD2-CD2 3.12Å; H151-H155 AromaticContact CD2-NE2 3.39Å; H151-H155 PolarHBondContact CD2-NE2 3.45Å; H151-H155 AromaticContact CE1-CD2 3.94Å; H151-H155 AromaticContact CE1-NE2 3.85Å; H151-H155 AromaticContact NE2-CD2 3.15Å; H151-H155 PolarHBondContact NE2-CD2 3.39Å; H151-H155 AromaticContact NE2-NE2 2.89Å; H151-H155 PolarHBondContact NE2-NE2 2.85Å; H151-H155 PolarHBondContact O-CD2 3.47Å; H151-H155 PolarHBondContact O-N 3.04Å; H151-D172 IonicContact CE1-OD2 2.7Å; H151-D172 IonicContact CG-OD2 3.5Å; H151-D172 IonicContact ND1-OD1 2.68Å; H151-D172 PolarHBondContact ND1-OD1 3.4Å; H151-D172 IonicContact ND1-OD2 3.53Å; H151-D172 PolarHBondContact ND1-OD2 2.77Å
152K97.6Very high97.6Very high95 Ų9551.8 Ų51.841%0.41324%0.241SC..Hα-helixtrans-54.1-39.8170.3-175.6176.3-178.3179.10113.3Y147 K148 H154 H155 I156Y147-K152 HydrophobicContact CD1-CB 4.31Å; Y147-K152 HydrophobicContact CD2-CB 4.34Å; Y147-K152 HydrophobicContact CE1-CB 3.83Å; Y147-K152 HydrophobicContact CE1-CD 4.24Å; Y147-K152 HydrophobicContact CE1-CG 4.08Å; Y147-K152 VanDerWaalsContact CE2-CA 3.43Å; Y147-K152 HydrophobicContact CE2-CB 3.79Å; Y147-K152 VanDerWaalsContact CE2-N 3.31Å; Y147-K152 WeakPolarHBondContact O-CB 3.48Å; Y147-K152 PolarHBondContact O-N 3.11Å; K148-K152 HydrophobicContact CG-CD 4.23Å; K152-H154 PolarHBondContact O-N 2.72Å; K152-H155 CarbonylContact O-C 3.51Å; K152-H155 PolarHBondContact O-N 3.44Å; K152-H155 VanDerWaalsContact O-N 3.1Å; K152-I156 VanDerWaalsContact O-CG2 3.25Å; K152-I156 WeakPolarHBondContact O-CG2 3.3Å; K152-I156 PolarHBondContact O-N 3.01Å; K152-I156 VanDerWaalsContact O-N 3.12Å
153P97.6Very high97.6Very high27 Ų2751.7 Ų51.718%0.17524%0.24CC..Hα-helixtrans-58.1-30.2176.1-26.736.7000114.1Y79 H151 I156Y79-P153 HydrophobicContact CE1-CB 3.67Å; Y79-P153 WeakPolarHBondContact OH-CB 3.42Å; H151-P153 VanDerWaalsContact C-N 3.31Å; P153-I156 WeakPolarHBondContact O-CD1 3.47Å; P153-I156 VanDerWaalsContact O-CG1 3.27Å; P153-I156 WeakPolarHBondContact O-CG1 3.33Å
154H98.1Very high97.7Very high5 Ų547.8 Ų47.82%0.02322%0.222CC..Hα-helixtrans-74.9-43.5173-179.360.3000111.3H151 K152 I156 W157 A164 F168 H209 H233H151-H154 AromaticContact CE1-CD2 3.73Å; H151-H154 WeakPolarHBondContact O-CB 3.19Å; H151-H154 PolarHBondContact O-N 3.26Å; K152-H154 PolarHBondContact O-N 2.72Å; H154-I156 PolarHBondContact O-N 2.87Å; H154-I156 VanDerWaalsContact O-N 3.12Å; H154-W157 PolarHBondContact O-N 3.27Å; H154-A164 PolarHBondContact CE1-O 2.75Å; H154-A164 VanDerWaalsContact CE1-O 3.3Å; H154-A164 PolarHBondContact ND1-O 3.27Å; H154-F168 HydrophobicContact CB-CB 3.96Å; H154-H209 AromaticContact CE1-NE2 3.28Å; H154-H209 PolarHBondContact CE1-NE2 2.98Å; H154-H209 VanDerWaalsContact CE1-NE2 3.28Å; H154-H209 AromaticContact NE2-NE2 3.44Å; H154-H209 PolarHBondContact NE2-NE2 3.18Å; H154-H233 AromaticContact CD2-CE1 3.54Å; H154-H233 AromaticContact CE1-CE1 3.73Å; H154-H233 AromaticContact NE2-CE1 3.2Å; H154-H233 PolarHBondContact NE2-CE1 2.9Å; H154-H233 AromaticContact NE2-NE2 3.35Å; H154-H233 PolarHBondContact NE2-NE2 3.49Å
155H97.8Very high97.8Very high12 Ų1239.4 Ų39.46%0.05619%0.186CC..Hα-helixtrans-71.90.4179.3-83.6-90.6000115.6H142 Y147 H151 K152 W157 H232 H233H142-H155 AromaticContact CE1-CD2 3.88Å; H142-H155 AromaticContact CE1-CE1 3.57Å; H142-H155 AromaticContact CE1-NE2 3.22Å; H142-H155 PolarHBondContact CE1-NE2 3.33Å; H142-H155 AromaticContact NE2-NE2 3.45Å; H142-H155 PolarHBondContact NE2-NE2 3.32Å; Y147-H155 HydrophobicContact CE2-CB 4.31Å; Y147-H155 WeakPolarHBondContact OH-CB 3.19Å; H151-H155 AromaticContact CD2-CD2 3.23Å; H151-H155 PolarHBondContact CD2-CD2 3.12Å; H151-H155 AromaticContact CD2-NE2 3.39Å; H151-H155 PolarHBondContact CD2-NE2 3.45Å; H151-H155 AromaticContact CE1-CD2 3.94Å; H151-H155 AromaticContact CE1-NE2 3.85Å; H151-H155 AromaticContact NE2-CD2 3.15Å; H151-H155 PolarHBondContact NE2-CD2 3.39Å; H151-H155 AromaticContact NE2-NE2 2.89Å; H151-H155 PolarHBondContact NE2-NE2 2.85Å; H151-H155 PolarHBondContact O-CD2 3.47Å; H151-H155 PolarHBondContact O-N 3.04Å; K152-H155 CarbonylContact O-C 3.51Å; K152-H155 PolarHBondContact O-N 3.44Å; K152-H155 VanDerWaalsContact O-N 3.1Å; H155-W157 PolarHBondContact O-N 3.28Å; H155-H232 AromaticContact CE1-CD2 3.43Å; H155-H232 PolarHBondContact CE1-CD2 3.37Å; H155-H232 VanDerWaalsContact CE1-CD2 3.43Å; H155-H232 AromaticContact CE1-CE1 3.86Å; H155-H232 AromaticContact CE1-NE2 3.07Å; H155-H232 PolarHBondContact CE1-NE2 3.28Å; H155-H232 AromaticContact NE2-CD2 3.79Å; H155-H232 AromaticContact NE2-NE2 3.1Å; H155-H232 PolarHBondContact NE2-NE2 3.16Å; H155-H233 AromaticContact ND1-ND1 3.99Å
156I97.1Very high97.8Very high62 Ų6234 Ų3432%0.31816%0.157SC..THydrogen-bonded Turntrans-68-23.8169.875.7-172.8000111.1K152 P153 H154 K158K152-I156 VanDerWaalsContact O-CG2 3.25Å; K152-I156 WeakPolarHBondContact O-CG2 3.3Å; K152-I156 PolarHBondContact O-N 3.01Å; K152-I156 VanDerWaalsContact O-N 3.12Å; P153-I156 WeakPolarHBondContact O-CD1 3.47Å; P153-I156 VanDerWaalsContact O-CG1 3.27Å; P153-I156 WeakPolarHBondContact O-CG1 3.33Å; H154-I156 PolarHBondContact O-N 2.87Å; H154-I156 VanDerWaalsContact O-N 3.12Å; I156-K158 PolarHBondContact O-N 3.05Å
157W97.3Very high97.8Very high4 Ų432.6 Ų32.62%0.01515%0.15CC..  trans-86.269.8179.3-43.2123.4000111.2L69 Q72 R75 E76 H154 H155 I159 T160 A164 A167 H233L69-W157 HydrophobicContact CD1-CE3 3.84Å; L69-W157 HydrophobicContact CD1-CZ3 3.75Å; Q72-W157 HydrophobicContact CG-CE3 3.59Å; Q72-W157 HydrophobicContact CG-CZ3 3.84Å; R75-W157 HydrophobicContact CB-CH2 3.53Å; R75-W157 HydrophobicContact CB-CZ2 4.38Å; R75-W157 HydrophobicContact CB-CZ3 4.16Å; E76-W157 HydrophobicContact CG-CD2 3.71Å; E76-W157 HydrophobicContact CG-CE3 4.05Å; E76-W157 HydrophobicContact CG-CG 4.11Å; E76-W157 HydrophobicContact CG-CH2 4.4Å; E76-W157 HydrophobicContact CG-CZ2 4.07Å; E76-W157 HydrophobicContact CG-CZ3 4.37Å; H154-W157 PolarHBondContact O-N 3.27Å; H155-W157 PolarHBondContact O-N 3.28Å; W157-I159 VanDerWaalsContact C-N 3.32Å; W157-I159 PolarHBondContact O-N 3.47Å; W157-T160 HydrophobicContact CB-CG2 4.36Å; W157-T160 WeakPolarHBondContact O-CG2 3.44Å; W157-A164 HydrophobicContact CB-CB 4.2Å; W157-A164 HydrophobicContact CG-CB 4.31Å; W157-A167 PolarHBondContact NE1-O 3.29Å; W157-H233 PolarHBondContact O-ND1 2.89Å
158K96.9Very high97.7Very high86 Ų8631.2 Ų31.237%0.37415%0.145SC..SBendtrans-59.9-39.8-176.4-67.9-170.9177.3-168.80114.2H67 I156 L234H67-K158 HydrophobicContact CB-CB 4.3Å; H67-K158 HydrophobicContact CB-CD 4.38Å; I156-K158 PolarHBondContact O-N 3.05Å; K158-L234 HydrophobicContact CB-CD2 4.36Å
159I97.7Very high97.7Very high4 Ų425.8 Ų25.82%0.02112%0.122CC..SBendtrans-106.291172.7-56-54000106L62 H65 H67 F68 Q72 W157 L234 P265L62-I159 HydrophobicContact CB-CG2 4.11Å; L62-I159 HydrophobicContact CD2-CG2 4.22Å; H65-I159 HydrophobicContact CB-CG1 4Å; H65-I159 HydrophobicContact CB-CG2 4.49Å; H65-I159 VanDerWaalsContact ND1-CG1 3.31Å; H65-I159 WeakPolarHBondContact ND1-CG1 3.33Å; H67-I159 HydrophobicContact CB-CG1 4.21Å; F68-I159 HydrophobicContact CD2-CB 4.18Å; F68-I159 HydrophobicContact CD2-CG2 4.05Å; Q72-I159 PolarHBondContact NE2-O 2.94Å; W157-I159 VanDerWaalsContact C-N 3.32Å; W157-I159 PolarHBondContact O-N 3.47Å; I159-L234 HydrophobicContact CD1-CD2 4.07Å; I159-P265 HydrophobicContact CD1-CB 3.71Å; I159-P265 HydrophobicContact CD1-CG 3.7Å
160T97.8Very high97.8Very high4 Ų422.1 Ų22.13%0.02511%0.106CC..  trans-67.1152.4-173.654.60000111.7F58 W157 A164 H209 H233F58-T160 WeakPolarHBondContact CE2-O 3.43Å; W157-T160 HydrophobicContact CB-CG2 4.36Å; W157-T160 WeakPolarHBondContact O-CG2 3.44Å; T160-A164 HydrophobicContact CG2-CB 3.93Å; T160-H209 CarbonylContact C-O 3.36Å; T160-H209 WeakPolarHBondContact CB-O 3.28Å; T160-H209 PolarHBondContact OG1-O 2.88Å; T160-H233 HydrophobicContact CG2-CB 4.47Å
161T98.6Very high97.8Very high0 Ų022.8 Ų22.80%011%0.113CC..  trans-108.8170.5158900000109F58 F68 V73 E76 F163 A164 H209F58-T161 HydrophobicContact CE1-CG2 4.39Å; F58-T161 HydrophobicContact CE2-CG2 4.21Å; F58-T161 HydrophobicContact CZ-CG2 3.85Å; F68-T161 HydrophobicContact CE2-CG2 3.59Å; F68-T161 HydrophobicContact CZ-CG2 3.82Å; V73-T161 HydrophobicContact CG2-CG2 3.89Å; E76-T161 WeakPolarHBondContact OE2-CB 3.45Å; E76-T161 PolarHBondContact OE2-OG1 2.64Å; T161-F163 PolarHBondContact O-N 2.92Å; T161-F163 PolarHBondContact OG1-N 3.45Å; T161-A164 VanDerWaalsContact O-CB 3.23Å; T161-A164 WeakPolarHBondContact O-CB 3.49Å; T161-A164 PolarHBondContact O-N 3.47Å; T161-H209 CarbonylContact C-O 3.55Å
162P98.6Very high97.8Very high0 Ų022.8 Ų22.80%011%0.113CC..G310 helixtrans-51-30.7173.5-27.336.2000113.1S53 F58 A164 S165 I206 D210S53-P162 VanDerWaalsContact OG-CG 3.23Å; S53-P162 WeakPolarHBondContact OG-CG 3.38Å; F58-P162 HydrophobicContact CB-CG 4Å; F58-P162 HydrophobicContact CD2-CG 4.3Å; F58-P162 HydrophobicContact CG-CG 4.36Å; P162-A164 VanDerWaalsContact C-N 3.33Å; P162-A164 PolarHBondContact O-N 3.4Å; P162-S165 VanDerWaalsContact O-CB 3.24Å; P162-S165 WeakPolarHBondContact O-CB 3.36Å; P162-S165 PolarHBondContact O-N 3.2Å; P162-S165 PolarHBondContact O-OG 2.96Å; P162-I206 HydrophobicContact CB-CG2 3.79Å; P162-D210 HydrophobicContact CB-CB 4.45Å; P162-D210 HydrophobicContact CG-CB 3.7Å
163F98.8Very high97.8Very high11 Ų1118.5 Ų18.55%0.04810%0.096CC..G310 helixtrans-75.7-17.2179.3-65.4-68.4000113.9Y46 A51 Y54 V73 E76 I77 T161 S165Y46-F163 HydrophobicContact CE1-CD1 4.39Å; Y46-F163 HydrophobicContact CE2-CD1 4.21Å; Y46-F163 AromaticContact CZ-CD1 3.89Å; Y46-F163 WeakPolarHBondContact OH-CB 3.01Å; Y46-F163 PolarHBondContact OH-O 3.39Å; A51-F163 HydrophobicContact CB-CZ 4.32Å; Y54-F163 HydrophobicContact CD1-CE2 4.2Å; Y54-F163 HydrophobicContact CD2-CD2 4.19Å; Y54-F163 HydrophobicContact CD2-CE2 4.02Å; Y54-F163 HydrophobicContact CG-CD2 4.3Å; Y54-F163 AromaticContact CG-CE2 3.68Å; Y54-F163 HydrophobicContact CG-CE2 3.68Å; V73-F163 HydrophobicContact CG1-CD2 3.66Å; V73-F163 HydrophobicContact CG1-CE2 4.03Å; V73-F163 HydrophobicContact CG1-CG 4.49Å; E76-F163 HydrophobicContact CB-CB 4.01Å; I77-F163 HydrophobicContact CD1-CD1 3.95Å; I77-F163 HydrophobicContact CD1-CD2 4.09Å; I77-F163 HydrophobicContact CD1-CE1 4.02Å; I77-F163 HydrophobicContact CD1-CE2 4.14Å; I77-F163 HydrophobicContact CD1-CG 3.97Å; I77-F163 HydrophobicContact CD1-CZ 4.1Å; I77-F163 HydrophobicContact CG1-CB 3.89Å; I77-F163 HydrophobicContact CG1-CD1 3.56Å; I77-F163 HydrophobicContact CG1-CD2 4.23Å; I77-F163 HydrophobicContact CG1-CE1 4.09Å; I77-F163 HydrophobicContact CG1-CG 3.62Å; T161-F163 PolarHBondContact O-N 2.92Å; T161-F163 PolarHBondContact OG1-N 3.45Å; F163-S165 PolarHBondContact O-N 3.38Å
164A98.4Very high97.9Very high0 Ų019.5 Ų19.50%010%0.097CC..G310 helixtrans-65.1-23.6173.200000112.7E76 H154 W157 T160 T161 P162 H166 A167E76-A164 HydrophobicContact CG-CB 4.25Å; E76-A164 WeakPolarHBondContact OE1-CB 3.24Å; E76-A164 PolarHBondContact OE2-N 3.43Å; H154-A164 PolarHBondContact CE1-O 2.75Å; H154-A164 VanDerWaalsContact CE1-O 3.3Å; H154-A164 PolarHBondContact ND1-O 3.27Å; W157-A164 HydrophobicContact CB-CB 4.2Å; W157-A164 HydrophobicContact CG-CB 4.31Å; T160-A164 HydrophobicContact CG2-CB 3.93Å; T161-A164 VanDerWaalsContact O-CB 3.23Å; T161-A164 WeakPolarHBondContact O-CB 3.49Å; T161-A164 PolarHBondContact O-N 3.47Å; P162-A164 VanDerWaalsContact C-N 3.33Å; P162-A164 PolarHBondContact O-N 3.4Å; A164-H166 PolarHBondContact O-N 3.3Å; A164-A167 PolarHBondContact O-N 3.06Å
165S97.7Very high97.9Very high1 Ų121.4 Ų21.41%0.00711%0.108CC..G310 helixtrans-51.4-31.4-175.359.70000115.3P162 F163 F168 T205 I206P162-S165 VanDerWaalsContact O-CB 3.24Å; P162-S165 WeakPolarHBondContact O-CB 3.36Å; P162-S165 PolarHBondContact O-N 3.2Å; P162-S165 PolarHBondContact O-OG 2.96Å; F163-S165 PolarHBondContact O-N 3.38Å; S165-F168 VanDerWaalsContact O-CE1 3.24Å; S165-F168 WeakPolarHBondContact O-CE1 3.47Å; S165-T205 WeakPolarHBondContact CB-O 3.24Å; S165-I206 WeakPolarHBondContact OG-CG1 3.27Å
166H98Very high97.9Very high19 Ų1922.1 Ų22.19%0.08811%0.111CC..G310 helixtrans-121.47.6179.3-62.473.2000112.8Y46 A80 A164 F168 N202Y46-H166 HydrophobicContact CD2-CB 3.75Å; Y46-H166 AromaticContact CD2-CG 3.74Å; Y46-H166 AromaticContact CD2-ND1 3.53Å; Y46-H166 HydrophobicContact CE2-CB 3.74Å; Y46-H166 AromaticContact CE2-ND1 3.97Å; Y46-H166 HydrophobicContact CG-CB 4.48Å; A80-H166 WeakPolarHBondContact CA-O 3.46Å; A80-H166 HydrophobicContact CB-CB 4.11Å; A80-H166 WeakPolarHBondContact CB-O 3.4Å; A164-H166 PolarHBondContact O-N 3.3Å; H166-F168 HydrophobicContact CB-CE1 4.42Å; H166-F168 HydrophobicContact CB-CZ 4.14Å; H166-F168 PolarHBondContact O-N 2.95Å; H166-N202 PolarHBondContact NE2-OD1 3.41Å
167A98Very high97.9Very high0 Ų020 Ų200%011%0.105CC..  trans-85.160.9-179.200000110.9E76 Y79 W157 A164E76-A167 HydrophobicContact CB-CB 4.06Å; E76-A167 HydrophobicContact CG-CB 4.33Å; E76-A167 WeakPolarHBondContact O-CB 3.49Å; Y79-A167 HydrophobicContact CD1-CB 4.25Å; Y79-A167 WeakPolarHBondContact CD1-O 3.32Å; W157-A167 PolarHBondContact NE1-O 3.29Å; A164-A167 PolarHBondContact O-N 3.06Å
168F94.9Very high98Very high18 Ų1821.6 Ų21.68%0.07911%0.113CC..SBendtrans-123.4169.7-179.443-125.4000112.4S83 I87 H154 S165 H166 D172S83-F168 VanDerWaalsContact CB-O 3.31Å; S83-F168 WeakPolarHBondContact CB-O 3.45Å; S83-F168 PolarHBondContact OG-O 3.01Å; I87-F168 HydrophobicContact CD1-CD2 4.06Å; I87-F168 HydrophobicContact CD1-CE2 3.48Å; I87-F168 VanDerWaalsContact CD1-CE2 3.48Å; H154-F168 HydrophobicContact CB-CB 3.96Å; S165-F168 VanDerWaalsContact O-CE1 3.24Å; S165-F168 WeakPolarHBondContact O-CE1 3.47Å; H166-F168 HydrophobicContact CB-CE1 4.42Å; H166-F168 HydrophobicContact CB-CZ 4.14Å; H166-F168 PolarHBondContact O-N 2.95Å; F168-D172 HydrophobicContact CB-CB 4.25Å
169H98.5Very high98.1Very high50 Ų5017.7 Ų17.723%0.23110%0.097CC..  trans-64.4147.8172.7-174-85.2000110.7Y79 F150 V171 D172 G173Y79-H169 WeakPolarHBondContact OH-CA 3.21Å; Y79-H169 PolarHBondContact OH-N 3.46Å; F150-H169 AromaticContact CD1-CE1 3.45Å; F150-H169 VanDerWaalsContact CD1-CE1 3.45Å; F150-H169 WeakPolarHBondContact CD1-CE1 3.5Å; F150-H169 AromaticContact CD1-CG 3.98Å; F150-H169 AromaticContact CD1-ND1 3.41Å; F150-H169 WeakPolarHBondContact CD1-ND1 3.39Å; F150-H169 AromaticContact CD1-NE2 3.98Å; F150-H169 AromaticContact CE1-CE1 3.58Å; F150-H169 AromaticContact CE1-ND1 3.98Å; F150-H169 WeakPolarHBondContact O-CB 3.39Å; H169-V171 VanDerWaalsContact C-N 3.34Å; H169-V171 PolarHBondContact ND1-N 2.89Å; H169-V171 VanDerWaalsContact ND1-N 3.11Å; H169-V171 PolarHBondContact O-N 2.93Å; H169-D172 HydrophobicContact CB-CB 4.13Å; H169-D172 VanDerWaalsContact O-CB 3.31Å; H169-D172 WeakPolarHBondContact O-CB 3.12Å; H169-D172 PolarHBondContact O-N 3.23Å; H169-G173 PolarHBondContact O-N 2.95Å
170P98.6Very high98.1Very high28 Ų2818.5 Ų18.518%0.18210%0.1CC..Hα-helixtrans-56.4-41.7-179.2-30.336.7000115.3W86 I87 D172 G173 F174W86-P170 HydrophobicContact CB-CB 3.58Å; W86-P170 HydrophobicContact CB-CG 3.62Å; W86-P170 HydrophobicContact CG-CG 4.15Å; I87-P170 HydrophobicContact CG1-CB 4.01Å; I87-P170 WeakPolarHBondContact CG1-O 3.4Å; P170-D172 VanDerWaalsContact C-N 3.3Å; P170-D172 PolarHBondContact O-N 2.99Å; P170-G173 PolarHBondContact O-N 2.85Å; P170-F174 WeakPolarHBondContact O-CB 3.48Å; P170-F174 PolarHBondContact O-N 3.37Å
171V98.5Very high98.1Very high53 Ų5319 Ų1932%0.32110%0.102SC..Hα-helixtrans-62.1-39.6175.6174.40000111.8F150 H169 L175F150-V171 HydrophobicContact CD1-CB 3.84Å; F150-V171 HydrophobicContact CD1-CG1 4.13Å; F150-V171 HydrophobicContact CD1-CG2 4.26Å; F150-V171 HydrophobicContact CD2-CG1 3.98Å; F150-V171 HydrophobicContact CE1-CB 3.89Å; F150-V171 HydrophobicContact CE1-CG1 4.09Å; F150-V171 HydrophobicContact CE1-CG2 3.83Å; F150-V171 HydrophobicContact CE2-CG1 3.93Å; F150-V171 HydrophobicContact CG-CB 4.2Å; F150-V171 HydrophobicContact CG-CG1 4.08Å; F150-V171 HydrophobicContact CZ-CB 4.27Å; F150-V171 HydrophobicContact CZ-CG1 3.98Å; F150-V171 HydrophobicContact CZ-CG2 4.19Å; H169-V171 VanDerWaalsContact C-N 3.34Å; H169-V171 PolarHBondContact ND1-N 2.89Å; H169-V171 VanDerWaalsContact ND1-N 3.11Å; H169-V171 PolarHBondContact O-N 2.93Å; V171-L175 HydrophobicContact CG1-CD1 3.79Å; V171-L175 HydrophobicContact CG1-CG 4.27Å; V171-L175 WeakPolarHBondContact O-CB 3.17Å; V171-L175 WeakPolarHBondContact O-CG 3.38Å; V171-L175 PolarHBondContact O-N 2.84Å
172D98.3Very high98.1Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-63.9-52.7177.8179.23.7000110.2L141 F150 H151 F168 H169 P170 F174 L175 Q176L141-D172 VanDerWaalsContact CD1-OD1 3.3Å; L141-D172 WeakPolarHBondContact CD1-OD1 3.48Å; F150-D172 HydrophobicContact CB-CB 4.49Å; F150-D172 WeakPolarHBondContact O-CB 3.47Å; H151-D172 IonicContact CE1-OD2 2.7Å; H151-D172 IonicContact CG-OD2 3.5Å; H151-D172 IonicContact ND1-OD1 2.68Å; H151-D172 PolarHBondContact ND1-OD1 3.4Å; H151-D172 IonicContact ND1-OD2 3.53Å; H151-D172 PolarHBondContact ND1-OD2 2.77Å; F168-D172 HydrophobicContact CB-CB 4.25Å; H169-D172 HydrophobicContact CB-CB 4.13Å; H169-D172 VanDerWaalsContact O-CB 3.31Å; H169-D172 WeakPolarHBondContact O-CB 3.12Å; H169-D172 PolarHBondContact O-N 3.23Å; P170-D172 VanDerWaalsContact C-N 3.3Å; P170-D172 PolarHBondContact O-N 2.99Å; D172-F174 PolarHBondContact O-N 3.32Å; D172-L175 PolarHBondContact O-N 3.24Å; D172-Q176 PolarHBondContact O-N 3.34Å; D172-Q176 PolarHBondContact OD1-NE2 2.73Å
173G97.7Very high98.1Very high5 Ų522.1 Ų22.15%0.05212%0.118CC..Hα-helixtrans-57.7-44.417700000114.2H169 P170 G177H169-G173 PolarHBondContact O-N 2.95Å; P170-G173 PolarHBondContact O-N 2.85Å; G173-G177 PolarHBondContact O-N 3.08Å
174F98.6Very high98.1Very high47 Ų4721.6 Ų21.621%0.20612%0.115CC..Hα-helixtrans-64.1-47.3176.9174.3-109.3000111.6I87 P90 L94 P170 D172 G177 L178I87-F174 HydrophobicContact CG2-CB 4.3Å; P90-F174 HydrophobicContact CB-CD2 3.88Å; P90-F174 HydrophobicContact CB-CE1 4.27Å; P90-F174 HydrophobicContact CB-CE2 3.53Å; P90-F174 HydrophobicContact CB-CG 4.38Å; P90-F174 HydrophobicContact CB-CZ 3.74Å; P90-F174 HydrophobicContact CG-CB 4.41Å; P90-F174 HydrophobicContact CG-CD1 4.3Å; P90-F174 HydrophobicContact CG-CD2 3.46Å; P90-F174 VanDerWaalsContact CG-CD2 3.46Å; P90-F174 HydrophobicContact CG-CE1 4.49Å; P90-F174 HydrophobicContact CG-CE2 3.7Å; P90-F174 HydrophobicContact CG-CG 3.78Å; P90-F174 HydrophobicContact CG-CZ 4.21Å; L94-F174 HydrophobicContact CD1-CE2 4.36Å; P170-F174 WeakPolarHBondContact O-CB 3.48Å; P170-F174 PolarHBondContact O-N 3.37Å; D172-F174 PolarHBondContact O-N 3.32Å; F174-G177 PolarHBondContact O-N 3.24Å; F174-L178 HydrophobicContact CE1-CD1 4.42Å; F174-L178 HydrophobicContact CE1-CD2 4.47Å; F174-L178 HydrophobicContact CE2-CD1 4.09Å; F174-L178 HydrophobicContact CZ-CD1 3.73Å; F174-L178 WeakPolarHBondContact O-CB 3.41Å; F174-L178 PolarHBondContact O-N 3.3Å
175L98.5Very high98.1Very high46 Ų4624 Ų2424%0.24113%0.126CC..Hα-helixtrans-63-45.8-179.2-72.9175.6000111.5I137 L141 V171 D172 G177 L178 P179I137-L175 VanDerWaalsContact CD1-O 3.31Å; I137-L175 WeakPolarHBondContact CD1-O 3.33Å; I137-L175 HydrophobicContact CG2-CB 3.75Å; L141-L175 HydrophobicContact CD2-CD1 4.14Å; V171-L175 HydrophobicContact CG1-CD1 3.79Å; V171-L175 HydrophobicContact CG1-CG 4.27Å; V171-L175 WeakPolarHBondContact O-CB 3.17Å; V171-L175 WeakPolarHBondContact O-CG 3.38Å; V171-L175 PolarHBondContact O-N 2.84Å; D172-L175 PolarHBondContact O-N 3.24Å; L175-G177 VanDerWaalsContact C-N 3.32Å; L175-G177 PolarHBondContact O-N 2.98Å; L175-L178 WeakPolarHBondContact O-CB 3.45Å; L175-L178 PolarHBondContact O-N 2.87Å; L175-P179 WeakPolarHBondContact O-CD 3.24Å
176Q97.9Very high98.1Very high27 Ų2728.2 Ų28.213%0.12615%0.148CC..Hα-helixtrans-68.2-30.8177.8-67.2-161.267.600112.6I134 I137 L141 D172 P179I134-Q176 WeakPolarHBondContact CG1-O 3.46Å; I137-Q176 HydrophobicContact CG2-CG 4.2Å; L141-Q176 HydrophobicContact CD1-CG 3.82Å; D172-Q176 PolarHBondContact O-N 3.34Å; D172-Q176 PolarHBondContact OD1-NE2 2.73Å; Q176-P179 WeakPolarHBondContact O-CD 3.18Å
177G97.7Very high98Very high18 Ų1831.1 Ų31.119%0.18616%0.16CC..Hα-helixtrans-78.7-23.6175.500000114.6G173 F174 L175 P179 Y180 H181G173-G177 PolarHBondContact O-N 3.08Å; F174-G177 PolarHBondContact O-N 3.24Å; L175-G177 VanDerWaalsContact C-N 3.32Å; L175-G177 PolarHBondContact O-N 2.98Å; G177-P179 VanDerWaalsContact C-CD 3.45Å; G177-Y180 WeakPolarHBondContact O-CB 3.42Å; G177-Y180 VanDerWaalsContact O-CD2 3.3Å; G177-Y180 WeakPolarHBondContact O-CD2 3.48Å; G177-Y180 PolarHBondContact O-N 3.2Å; G177-H181 PolarHBondContact O-CD2 2.8Å
178L98.5Very high98Very high36 Ų3634.9 Ų34.919%0.18818%0.184CC..Hα-helixtrans-54.4-42.6-172.4-17762.3000114.5L94 F174 L175 Y180 H181 I182L94-L178 HydrophobicContact CD1-CD1 3.68Å; F174-L178 HydrophobicContact CE1-CD1 4.42Å; F174-L178 HydrophobicContact CE1-CD2 4.47Å; F174-L178 HydrophobicContact CE2-CD1 4.09Å; F174-L178 HydrophobicContact CZ-CD1 3.73Å; F174-L178 WeakPolarHBondContact O-CB 3.41Å; F174-L178 PolarHBondContact O-N 3.3Å; L175-L178 WeakPolarHBondContact O-CB 3.45Å; L175-L178 PolarHBondContact O-N 2.87Å; L178-Y180 PolarHBondContact O-N 3.45Å; L178-H181 PolarHBondContact O-N 3.06Å; L178-I182 HydrophobicContact CD1-CD1 3.65Å; L178-I182 HydrophobicContact CD1-CG1 3.71Å; L178-I182 HydrophobicContact CD2-CD1 3.9Å; L178-I182 HydrophobicContact CG-CD1 3.57Å; L178-I182 HydrophobicContact CG-CG1 3.96Å; L178-I182 PolarHBondContact O-N 3.1Å
179P98.7Very high98.1Very high5 Ų534 Ų343%0.03218%0.181CC..Hα-helixtrans-59-34.5-178.4-28.639.9000113.7F129 T130 C133 I134 I137 L175 Q176 G177 H181 Y183F129-P179 HydrophobicContact CE1-CB 4.42Å; T130-P179 HydrophobicContact CG2-CB 4.31Å; C133-P179 HydrophobicContact CB-CB 3.61Å; C133-P179 HydrophobicContact CB-CG 3.46Å; C133-P179 VanDerWaalsContact CB-CG 3.46Å; I134-P179 HydrophobicContact CG1-CB 4.34Å; I134-P179 HydrophobicContact CG1-CG 3.89Å; I137-P179 HydrophobicContact CD1-CG 3.7Å; L175-P179 WeakPolarHBondContact O-CD 3.24Å; Q176-P179 WeakPolarHBondContact O-CD 3.18Å; G177-P179 VanDerWaalsContact C-CD 3.45Å; P179-H181 VanDerWaalsContact C-N 3.26Å; P179-H181 PolarHBondContact O-N 3.46Å; P179-Y183 PolarHBondContact O-N 2.86Å; P179-Y183 VanDerWaalsContact O-N 3.13Å
180Y98.3Very high98Very high21 Ų2132.4 Ų32.48%0.08217%0.173CC..Hα-helixtrans-64.5-33.3177.1-53.9-55.3000112.3F126 T130 I134 G177 L178 Y194 V201 Q242 Y243F126-Y180 AromaticContact CE1-CD1 3.91Å; F126-Y180 HydrophobicContact CE1-CD1 3.91Å; F126-Y180 HydrophobicContact CE1-CE1 4.39Å; F126-Y180 HydrophobicContact CE2-CD1 4.46Å; F126-Y180 AromaticContact CZ-CD1 3.56Å; F126-Y180 HydrophobicContact CZ-CD1 3.56Å; F126-Y180 HydrophobicContact CZ-CE1 4.45Å; F126-Y180 HydrophobicContact CZ-CG 4.3Å; T130-Y180 VanDerWaalsContact CB-CE1 3.5Å; T130-Y180 HydrophobicContact CG2-CD1 3.41Å; T130-Y180 VanDerWaalsContact CG2-CD1 3.41Å; T130-Y180 HydrophobicContact CG2-CE1 3.78Å; T130-Y180 HydrophobicContact CG2-CG 4.43Å; I134-Y180 HydrophobicContact CD1-CE1 3.69Å; I134-Y180 HydrophobicContact CD1-CE2 3.67Å; I134-Y180 WeakPolarHBondContact CD1-OH 3.14Å; G177-Y180 WeakPolarHBondContact O-CB 3.42Å; G177-Y180 VanDerWaalsContact O-CD2 3.3Å; G177-Y180 WeakPolarHBondContact O-CD2 3.48Å; G177-Y180 PolarHBondContact O-N 3.2Å; L178-Y180 PolarHBondContact O-N 3.45Å; Y180-Y194 VanDerWaalsContact O-CE2 3.27Å; Y180-Y194 WeakPolarHBondContact O-CE2 3.45Å; Y180-Y194 PolarHBondContact O-OH 2.91Å; Y180-Y194 VanDerWaalsContact O-OH 3.11Å; Y180-V201 HydrophobicContact CD1-CG1 4.37Å; Y180-V201 HydrophobicContact CD1-CG2 3.91Å; Y180-V201 HydrophobicContact CD2-CG1 3.95Å; Y180-V201 HydrophobicContact CE1-CB 4.43Å; Y180-V201 HydrophobicContact CE1-CG1 3.87Å; Y180-V201 HydrophobicContact CE1-CG2 3.65Å; Y180-V201 HydrophobicContact CE2-CG1 3.38Å; Y180-V201 HydrophobicContact CG-CG1 4.4Å; Y180-V201 HydrophobicContact CG-CG2 4.49Å; Y180-V201 WeakPolarHBondContact OH-CG1 3.25Å; Y180-Q242 PolarHBondContact OH-NE2 3.1Å; Y180-Y243 HydrophobicContact CE1-CE2 4.39Å; Y180-Y243 VanDerWaalsContact CE1-OH 3.24Å; Y180-Y243 WeakPolarHBondContact CE1-OH 3.46Å; Y180-Y243 PolarHBondContact OH-OH 2.97Å
181H98Very high97.9Very high15 Ų1532.1 Ų32.17%0.06917%0.169CC..Hα-helixtrans-91.2-27.1-177.3-59.6-53.8000113L94 F95 G177 L178 P179 P184 F185 Y194L94-H181 HydrophobicContact CD1-CB 3.64Å; F95-H181 AromaticContact CE1-CE1 3.55Å; F95-H181 AromaticContact CE1-ND1 3.38Å; F95-H181 WeakPolarHBondContact CE1-ND1 3.35Å; F95-H181 AromaticContact CZ-CE1 3.54Å; F95-H181 AromaticContact CZ-ND1 3.88Å; G177-H181 PolarHBondContact O-CD2 2.8Å; L178-H181 PolarHBondContact O-N 3.06Å; P179-H181 VanDerWaalsContact C-N 3.26Å; P179-H181 PolarHBondContact O-N 3.46Å; H181-P184 WeakPolarHBondContact O-CD 3.38Å; H181-P184 WeakPolarHBondContact O-CG 3.23Å; H181-F185 WeakPolarHBondContact O-CD2 3.49Å; H181-F185 VanDerWaalsContact O-CE2 3.24Å; H181-F185 WeakPolarHBondContact O-CE2 3.3Å; H181-Y194 WeakPolarHBondContact CA-OH 3.38Å; H181-Y194 PolarHBondContact ND1-OH 3.31Å
182I98.3Very high97.8Very high61 Ų6134.8 Ų34.831%0.31318%0.181SC..Hα-helixtrans-76.5-32.1174.3-72.5-173.3000112.1L178 F185 L186L178-I182 HydrophobicContact CD1-CD1 3.65Å; L178-I182 HydrophobicContact CD1-CG1 3.71Å; L178-I182 HydrophobicContact CD2-CD1 3.9Å; L178-I182 HydrophobicContact CG-CD1 3.57Å; L178-I182 HydrophobicContact CG-CG1 3.96Å; L178-I182 PolarHBondContact O-N 3.1Å; I182-F185 WeakPolarHBondContact O-CB 2.95Å; I182-F185 PolarHBondContact O-N 2.59Å; I182-L186 HydrophobicContact CG2-CD1 3.73Å; I182-L186 HydrophobicContact CG2-CG 3.94Å; I182-L186 PolarHBondContact O-N 2.95Å
183Y98.6Very high97.8Very high4 Ų436 Ų362%0.01619%0.187CC..Hα-helixtrans-46.7-52.4-178.2-174.3-85.5000114.2S122 S125 F126 F129 P179 F185 L186 F187 L189S122-Y183 PolarHBondContact O-OH 3.31Å; S125-Y183 WeakPolarHBondContact CB-OH 3.46Å; S125-Y183 PolarHBondContact OG-OH 3.42Å; F126-Y183 HydrophobicContact CB-CD2 4.47Å; F126-Y183 HydrophobicContact CB-CE1 4.18Å; F126-Y183 HydrophobicContact CB-CE2 4.16Å; F126-Y183 AromaticContact CD2-CD1 3.66Å; F126-Y183 HydrophobicContact CD2-CD1 3.66Å; F126-Y183 HydrophobicContact CD2-CD2 4.13Å; F126-Y183 HydrophobicContact CD2-CE1 4.14Å; F126-Y183 AromaticContact CD2-CG 3.64Å; F126-Y183 HydrophobicContact CD2-CG 3.64Å; F126-Y183 HydrophobicContact CE2-CD1 4.46Å; F126-Y183 HydrophobicContact CE2-CG 4.32Å; F129-Y183 HydrophobicContact CB-CD2 3.92Å; F129-Y183 HydrophobicContact CB-CE2 3.96Å; F129-Y183 AromaticContact CD1-CD2 3.58Å; F129-Y183 HydrophobicContact CD1-CD2 3.58Å; F129-Y183 HydrophobicContact CD1-CE2 4.44Å; F129-Y183 HydrophobicContact CD1-CG 4.45Å; F129-Y183 HydrophobicContact CE1-CD2 4.22Å; F129-Y183 AromaticContact CG-CD2 3.78Å; F129-Y183 HydrophobicContact CG-CD2 3.78Å; F129-Y183 HydrophobicContact CG-CE2 4.21Å; P179-Y183 PolarHBondContact O-N 2.86Å; P179-Y183 VanDerWaalsContact O-N 3.13Å; Y183-F185 PolarHBondContact O-N 2.72Å; Y183-F185 VanDerWaalsContact O-N 3.14Å; Y183-L186 PolarHBondContact O-N 2.77Å; Y183-F187 HydrophobicContact CD1-CB 4.34Å; Y183-F187 AromaticContact CD2-CD2 3.69Å; Y183-F187 HydrophobicContact CD2-CD2 3.69Å; Y183-F187 HydrophobicContact CD2-CE2 4.3Å; Y183-F187 HydrophobicContact CE1-CB 3.8Å; Y183-F187 HydrophobicContact CE1-CD2 4.43Å; Y183-F187 HydrophobicContact CE2-CB 4.24Å; Y183-F187 AromaticContact CE2-CD2 3.5Å; Y183-F187 HydrophobicContact CE2-CD2 3.5Å; Y183-F187 VanDerWaalsContact CE2-CD2 3.5Å; Y183-F187 HydrophobicContact CE2-CE2 4.17Å; Y183-F187 HydrophobicContact CE2-CG 4.1Å; Y183-F187 HydrophobicContact CG-CD2 4.24Å; Y183-F187 AromaticContact CZ-CD2 3.91Å; Y183-F187 PolarHBondContact O-N 3.25Å; Y183-L189 HydrophobicContact CD1-CB 4.45Å; Y183-L189 HydrophobicContact CD1-CD2 3.94Å; Y183-L189 HydrophobicContact CE1-CB 4.27Å; Y183-L189 HydrophobicContact CE1-CD1 4.33Å; Y183-L189 HydrophobicContact CE1-CD2 4.19Å
184P97.7Very high97.8Very high0 Ų036.2 Ų36.20%019%0.187CC..Hα-helixtrans-67.4-12-179.127.9-37.3000114.5K104 L105 H181 F187 Y194K104-P184 WeakPolarHBondContact CA-O 3.44Å; K104-P184 WeakPolarHBondContact CB-O 3.47Å; K104-P184 PolarHBondContact N-O 3.21Å; L105-P184 HydrophobicContact CD2-CB 3.61Å; L105-P184 HydrophobicContact CG-CB 3.88Å; H181-P184 WeakPolarHBondContact O-CD 3.38Å; H181-P184 WeakPolarHBondContact O-CG 3.23Å; P184-F187 WeakPolarHBondContact CA-O 3.46Å; P184-Y194 HydrophobicContact CG-CE1 4.31Å; P184-Y194 HydrophobicContact CG-CE2 4.36Å
185F98.2Very high97.7Very high51 Ų5136.3 Ų36.322%0.22419%0.189CC..Hα-helixtrans-82.7-25.2171.5-66.4-92.1000112L94 A97 E98 Y102 K104 H181 I182 Y183L94-F185 WeakPolarHBondContact O-CZ 3.48Å; A97-F185 HydrophobicContact CB-CE1 4Å; A97-F185 HydrophobicContact CB-CZ 4.1Å; E98-F185 HydrophobicContact CB-CZ 4.2Å; Y102-F185 WeakPolarHBondContact O-CD1 3.15Å; K104-F185 WeakPolarHBondContact CE-O 3.43Å; H181-F185 WeakPolarHBondContact O-CD2 3.49Å; H181-F185 VanDerWaalsContact O-CE2 3.24Å; H181-F185 WeakPolarHBondContact O-CE2 3.3Å; I182-F185 WeakPolarHBondContact O-CB 2.95Å; I182-F185 PolarHBondContact O-N 2.59Å; Y183-F185 PolarHBondContact O-N 2.72Å; Y183-F185 VanDerWaalsContact O-N 3.14Å
186L98.3Very high97.7Very high89 Ų8936.9 Ų36.947%0.46620%0.201SC..Hα-helixtrans-93.3-41.4-179.5-60.7-177.7000111.9K104 F129 I182 Y183K104-L186 WeakPolarHBondContact CD-O 3.39Å; K104-L186 VanDerWaalsContact CE-O 3.31Å; K104-L186 WeakPolarHBondContact CE-O 3.46Å; F129-L186 HydrophobicContact CE2-CD1 4.11Å; F129-L186 HydrophobicContact CZ-CD1 3.79Å; I182-L186 HydrophobicContact CG2-CD1 3.73Å; I182-L186 HydrophobicContact CG2-CG 3.94Å; I182-L186 PolarHBondContact O-N 2.95Å; Y183-L186 PolarHBondContact O-N 2.77Å
187F97.3Very high97.7Very high79 Ų7936 Ų3635%0.34620%0.196SC..SBendtrans-126.5144.8-172.1-54.6-75.7000111.6F129 Y183 P184 L189F129-F187 AromaticContact CD2-CE2 3.92Å; F129-F187 HydrophobicContact CD2-CE2 3.92Å; F129-F187 AromaticContact CE2-CE2 3.94Å; F129-F187 HydrophobicContact CE2-CE2 3.94Å; Y183-F187 HydrophobicContact CD1-CB 4.34Å; Y183-F187 AromaticContact CD2-CD2 3.69Å; Y183-F187 HydrophobicContact CD2-CD2 3.69Å; Y183-F187 HydrophobicContact CD2-CE2 4.3Å; Y183-F187 HydrophobicContact CE1-CB 3.8Å; Y183-F187 HydrophobicContact CE1-CD2 4.43Å; Y183-F187 HydrophobicContact CE2-CB 4.24Å; Y183-F187 AromaticContact CE2-CD2 3.5Å; Y183-F187 HydrophobicContact CE2-CD2 3.5Å; Y183-F187 VanDerWaalsContact CE2-CD2 3.5Å; Y183-F187 HydrophobicContact CE2-CE2 4.17Å; Y183-F187 HydrophobicContact CE2-CG 4.1Å; Y183-F187 HydrophobicContact CG-CD2 4.24Å; Y183-F187 AromaticContact CZ-CD2 3.91Å; Y183-F187 PolarHBondContact O-N 3.25Å; P184-F187 WeakPolarHBondContact CA-O 3.46Å; F187-L189 PolarHBondContact O-N 2.75Å
188P96.1Very high97.7Very high79 Ų7938 Ų3851%0.51320%0.199SC..  trans-60.8134.7172.5-20.532.6000111.6K104 Y106K104-P188 WeakPolarHBondContact O-CA 3.28Å; Y106-P188 HydrophobicContact CD1-CB 4.22Å; Y106-P188 HydrophobicContact CE1-CB 4.09Å
189L97.1Very high97.7Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-146.4134.7178.3-175.464.3000110.8K104 L105 Y106 F126 Y183 F187 L193 Y194 L197K104-L189 PolarHBondContact O-N 2.92Å; L105-L189 VanDerWaalsContact CA-O 3.26Å; L105-L189 WeakPolarHBondContact CA-O 3.31Å; L105-L189 HydrophobicContact CD2-CB 3.93Å; L105-L189 HydrophobicContact CD2-CG 4.35Å; L105-L189 WeakPolarHBondContact CD2-O 3.3Å; Y106-L189 WeakPolarHBondContact CD1-O 3.47Å; Y106-L189 PolarHBondContact N-O 3.47Å; Y106-L189 VanDerWaalsContact N-O 3.16Å; F126-L189 HydrophobicContact CD2-CD2 4.24Å; Y183-L189 HydrophobicContact CD1-CB 4.45Å; Y183-L189 HydrophobicContact CD1-CD2 3.94Å; Y183-L189 HydrophobicContact CE1-CB 4.27Å; Y183-L189 HydrophobicContact CE1-CD1 4.33Å; Y183-L189 HydrophobicContact CE1-CD2 4.19Å; F187-L189 PolarHBondContact O-N 2.75Å; L189-L193 HydrophobicContact CD1-CD2 3.72Å; L189-L193 HydrophobicContact CD1-CG 4.13Å; L189-Y194 HydrophobicContact CD2-CD2 3.48Å; L189-Y194 VanDerWaalsContact CD2-CD2 3.48Å; L189-Y194 HydrophobicContact CD2-CE2 4.4Å; L189-Y194 HydrophobicContact CD2-CG 3.81Å; L189-L197 HydrophobicContact CD1-CD1 4.34Å
190H97.6Very high97.7Very high16 Ų1642.4 Ų42.47%0.07422%0.221CC..EExtended strand (participates in β ladder)trans-71.1135.1178.9-178.9-103.7000110.8Y106 D107 L119 L192 L193 Y194Y106-H190 HydrophobicContact CD2-CB 4.26Å; Y106-H190 AromaticContact CD2-CD2 3.9Å; Y106-H190 HydrophobicContact CE1-CB 4.31Å; Y106-H190 VanDerWaalsContact CE1-N 3.33Å; Y106-H190 HydrophobicContact CE2-CB 3.6Å; Y106-H190 AromaticContact CE2-CD2 3.61Å; D107-H190 PolarHBondContact O-CD2 3.05Å; D107-H190 PolarHBondContact O-NE2 2.74Å; L119-H190 HydrophobicContact CD1-CB 3.19Å; H190-L192 PolarHBondContact ND1-N 3.23Å; H190-L192 PolarHBondContact O-N 3.4Å; H190-L193 HydrophobicContact CB-CB 4.05Å; H190-L193 PolarHBondContact ND1-N 3.43Å; H190-L193 WeakPolarHBondContact O-CB 3.49Å; H190-L193 PolarHBondContact O-N 2.85Å; H190-L193 VanDerWaalsContact O-N 3.08Å; H190-Y194 PolarHBondContact O-N 2.84Å
191K96.5Very high97.7Very high23 Ų2341.7 Ų41.710%0.122%0.219CC..Hα-helixtrans-57.5-44.7-173.7-71.1178.3-167.3171.80113.7D2 L3 L105 Y106 D107 L193 Y194 L195D2-K191 VanDerWaalsContact OD2-CE 3.3Å; D2-K191 WeakPolarHBondContact OD2-CE 3.38Å; D2-K191 IonicContact OD2-NZ 3.67Å; D2-K191 PolarHBondContact OD2-NZ 2.92Å; L3-K191 HydrophobicContact CD1-CB 3.69Å; L3-K191 HydrophobicContact CD1-CD 4.28Å; L3-K191 HydrophobicContact CG-CB 4.46Å; L3-K191 HydrophobicContact CG-CD 4.19Å; L105-K191 HydrophobicContact CB-CG 3.82Å; L105-K191 HydrophobicContact CD1-CG 4.25Å; L105-K191 HydrophobicContact CG-CG 4.47Å; Y106-K191 WeakPolarHBondContact O-CG 3.25Å; Y106-K191 PolarHBondContact O-N 3.13Å; D107-K191 VanDerWaalsContact OD1-CD 3.26Å; D107-K191 WeakPolarHBondContact OD1-CD 3.41Å; D107-K191 VanDerWaalsContact OD1-CE 3.31Å; D107-K191 WeakPolarHBondContact OD1-CE 2.97Å; D107-K191 IonicContact OD1-NZ 2.72Å; D107-K191 PolarHBondContact OD1-NZ 3.18Å; D107-K191 IonicContact OD2-NZ 2.86Å; D107-K191 PolarHBondContact OD2-NZ 2.82Å; K191-L193 VanDerWaalsContact C-N 3.34Å; K191-L193 PolarHBondContact O-N 3.39Å; K191-Y194 WeakPolarHBondContact O-CB 3.49Å; K191-Y194 PolarHBondContact O-N 3.22Å; K191-L195 PolarHBondContact O-N 3.16Å
192L96.3Very high97.7Very high108 Ų10841.6 Ų41.657%0.56522%0.219SC*.Hα-helixtrans-69.4-33.6178.4-62179.9000112.4L3 H190 Y194 L195 A196L3-L192 HydrophobicContact CD1-CD2 3.79Å; L3-L192 HydrophobicContact CD1-CG 4.49Å; H190-L192 PolarHBondContact ND1-N 3.23Å; H190-L192 PolarHBondContact O-N 3.4Å; L192-Y194 VanDerWaalsContact C-N 3.32Å; L192-L195 PolarHBondContact O-N 3.43Å; L192-A196 WeakPolarHBondContact O-CB 3.44Å; L192-A196 PolarHBondContact O-N 2.83Å
193L97.3Very high97.7Very high25 Ų2542.7 Ų42.713%0.13122%0.224CC..Hα-helixtrans-67-40.1174.6175.961.7000109.8L119 S122 M123 L189 H190 K191 L195 A196 L197L119-L193 HydrophobicContact CD1-CB 4.05Å; L119-L193 HydrophobicContact CD1-CD2 3.84Å; L119-L193 HydrophobicContact CG-CD2 3.93Å; L119-L193 WeakPolarHBondContact O-CD2 3.26Å; S122-L193 VanDerWaalsContact OG-CD2 3.24Å; S122-L193 WeakPolarHBondContact OG-CD2 3.49Å; M123-L193 HydrophobicContact CB-CD1 4.39Å; M123-L193 HydrophobicContact CB-CD2 4.19Å; L189-L193 HydrophobicContact CD1-CD2 3.72Å; L189-L193 HydrophobicContact CD1-CG 4.13Å; H190-L193 HydrophobicContact CB-CB 4.05Å; H190-L193 PolarHBondContact ND1-N 3.43Å; H190-L193 WeakPolarHBondContact O-CB 3.49Å; H190-L193 PolarHBondContact O-N 2.85Å; H190-L193 VanDerWaalsContact O-N 3.08Å; K191-L193 VanDerWaalsContact C-N 3.34Å; K191-L193 PolarHBondContact O-N 3.39Å; L193-L195 PolarHBondContact O-N 3.32Å; L193-A196 PolarHBondContact O-N 3.31Å; L193-L197 HydrophobicContact CD1-CD1 4.09Å; L193-L197 HydrophobicContact CD1-CG 4.06Å; L193-L197 HydrophobicContact CD2-CD1 4.41Å; L193-L197 HydrophobicContact CG-CD1 3.83Å; L193-L197 HydrophobicContact CG-CG 4.28Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.27Å; L193-L197 PolarHBondContact O-N 3.37Å
194Y97.9Very high97.7Very high11 Ų1144.6 Ų44.64%0.04323%0.232CC..Hα-helixtrans-60.5-44.2176.7-175.4-136.3000112.3E98 L105 F126 Y180 H181 P184 L189 H190 K191 L192 L197 Y198E98-Y194 WeakPolarHBondContact OE2-CE1 3.22Å; L105-Y194 HydrophobicContact CD1-CD1 3.97Å; L105-Y194 HydrophobicContact CD1-CE1 4.44Å; L105-Y194 HydrophobicContact CD2-CD1 4.06Å; L105-Y194 HydrophobicContact CD2-CG 4.21Å; F126-Y194 HydrophobicContact CE2-CD2 4.43Å; F126-Y194 HydrophobicContact CE2-CE2 4.29Å; Y180-Y194 VanDerWaalsContact O-CE2 3.27Å; Y180-Y194 WeakPolarHBondContact O-CE2 3.45Å; Y180-Y194 PolarHBondContact O-OH 2.91Å; Y180-Y194 VanDerWaalsContact O-OH 3.11Å; H181-Y194 WeakPolarHBondContact CA-OH 3.38Å; H181-Y194 PolarHBondContact ND1-OH 3.31Å; P184-Y194 HydrophobicContact CG-CE1 4.31Å; P184-Y194 HydrophobicContact CG-CE2 4.36Å; L189-Y194 HydrophobicContact CD2-CD2 3.48Å; L189-Y194 VanDerWaalsContact CD2-CD2 3.48Å; L189-Y194 HydrophobicContact CD2-CE2 4.4Å; L189-Y194 HydrophobicContact CD2-CG 3.81Å; H190-Y194 PolarHBondContact O-N 2.84Å; K191-Y194 WeakPolarHBondContact O-CB 3.49Å; K191-Y194 PolarHBondContact O-N 3.22Å; L192-Y194 VanDerWaalsContact C-N 3.32Å; Y194-L197 PolarHBondContact O-N 3.17Å; Y194-Y198 WeakPolarHBondContact O-CB 3.36Å; Y194-Y198 PolarHBondContact O-N 2.93Å
195L97Very high97.7Very high49 Ų4945.5 Ų45.526%0.25724%0.237SC..Hα-helixtrans-63.8-42.6174.3-69.5174.8000112.4L3 V4 K191 L192 L193 Y198 V199L3-L195 HydrophobicContact CD1-CD1 4.2Å; V4-L195 HydrophobicContact CG2-CD1 4.32Å; V4-L195 HydrophobicContact CG2-CD2 3.98Å; K191-L195 PolarHBondContact O-N 3.16Å; L192-L195 PolarHBondContact O-N 3.43Å; L193-L195 PolarHBondContact O-N 3.32Å; L195-Y198 WeakPolarHBondContact O-CB 3.46Å; L195-Y198 PolarHBondContact O-N 3.11Å; L195-V199 PolarHBondContact O-N 3.34Å; L195-V199 VanDerWaalsContact O-N 3.11Å
196A98Very high97.8Very high58 Ų5843.3 Ų43.348%0.47923%0.227SC..Hα-helixtrans-62.6-42.6176.300000111.8L192 L193 V199 F200L192-A196 WeakPolarHBondContact O-CB 3.44Å; L192-A196 PolarHBondContact O-N 2.83Å; L193-A196 PolarHBondContact O-N 3.31Å; A196-V199 PolarHBondContact O-N 2.77Å; A196-F200 WeakPolarHBondContact O-CB 3.39Å; A196-F200 PolarHBondContact O-N 2.94Å
197L98.3Very high97.8Very high7 Ų740.9 Ų40.94%0.03722%0.218CC..Hα-helixtrans-63.2-40.7174.8-77168.8000111.8M123 F126 L189 L193 Y194 V199 F200 V201M123-L197 HydrophobicContact CG-CD2 4.12Å; F126-L197 HydrophobicContact CB-CD1 4.08Å; F126-L197 HydrophobicContact CD1-CB 4.39Å; F126-L197 HydrophobicContact CD1-CD1 3.75Å; F126-L197 HydrophobicContact CD1-CD2 3.84Å; F126-L197 HydrophobicContact CD1-CG 4.22Å; F126-L197 HydrophobicContact CD2-CD1 4.09Å; F126-L197 HydrophobicContact CE1-CB 3.98Å; F126-L197 HydrophobicContact CE1-CD1 4.13Å; F126-L197 HydrophobicContact CE1-CD2 4.09Å; F126-L197 HydrophobicContact CE1-CG 4.31Å; F126-L197 HydrophobicContact CE2-CD1 4.45Å; F126-L197 HydrophobicContact CG-CD1 3.71Å; F126-L197 HydrophobicContact CZ-CB 4.18Å; F126-L197 HydrophobicContact CZ-CD1 4.45Å; L189-L197 HydrophobicContact CD1-CD1 4.34Å; L193-L197 HydrophobicContact CD1-CD1 4.09Å; L193-L197 HydrophobicContact CD1-CG 4.06Å; L193-L197 HydrophobicContact CD2-CD1 4.41Å; L193-L197 HydrophobicContact CG-CD1 3.83Å; L193-L197 HydrophobicContact CG-CG 4.28Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.27Å; L193-L197 PolarHBondContact O-N 3.37Å; Y194-L197 PolarHBondContact O-N 3.17Å; L197-V199 VanDerWaalsContact C-N 3.33Å; L197-V199 PolarHBondContact O-N 2.95Å; L197-F200 WeakPolarHBondContact O-CB 3.22Å; L197-F200 PolarHBondContact O-N 2.9Å; L197-V201 WeakPolarHBondContact O-CB 3.23Å; L197-V201 WeakPolarHBondContact O-CG2 3.41Å; L197-V201 PolarHBondContact O-N 2.75Å
198Y97.5Very high97.8Very high60 Ų6037.2 Ų37.224%0.23520%0.202CC..Hα-helixtrans-58.6-43.8175.1178.3-103.1000112L45 Y194 L195 N202L45-Y198 HydrophobicContact CD1-CD1 4.12Å; L45-Y198 HydrophobicContact CD1-CE1 3.47Å; L45-Y198 VanDerWaalsContact CD1-CE1 3.47Å; Y194-Y198 WeakPolarHBondContact O-CB 3.36Å; Y194-Y198 PolarHBondContact O-N 2.93Å; L195-Y198 WeakPolarHBondContact O-CB 3.46Å; L195-Y198 PolarHBondContact O-N 3.11Å; Y198-N202 PolarHBondContact O-N 2.85Å; Y198-N202 PolarHBondContact O-ND2 3Å
199V98.3Very high97.9Very high57 Ų5733.7 Ų33.735%0.34518%0.179SC..Hα-helixtrans-65.9-45.1174.2176.70000111.2L45 L195 A196 L197 V201 N202 I203L45-V199 HydrophobicContact CD2-CG2 4.5Å; L195-V199 PolarHBondContact O-N 3.34Å; L195-V199 VanDerWaalsContact O-N 3.11Å; A196-V199 PolarHBondContact O-N 2.77Å; L197-V199 VanDerWaalsContact C-N 3.33Å; L197-V199 PolarHBondContact O-N 2.95Å; V199-V201 VanDerWaalsContact C-N 3.33Å; V199-V201 PolarHBondContact O-N 2.7Å; V199-N202 PolarHBondContact O-N 2.7Å; V199-N202 VanDerWaalsContact O-N 3.16Å; V199-I203 HydrophobicContact CG1-CD1 3.99Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 2.84Å
200F98.6Very high97.9Very high77 Ų7734 Ų3434%0.33818%0.18SC..Hα-helixtrans-56.2-45.5177.1168.5-96.3000112.3L127 A196 L197 N202 I203 W204 Y243L127-F200 HydrophobicContact CD2-CD1 4.26Å; L127-F200 HydrophobicContact CD2-CE1 3.65Å; A196-F200 WeakPolarHBondContact O-CB 3.39Å; A196-F200 PolarHBondContact O-N 2.94Å; L197-F200 WeakPolarHBondContact O-CB 3.22Å; L197-F200 PolarHBondContact O-N 2.9Å; F200-N202 VanDerWaalsContact C-N 3.29Å; F200-N202 PolarHBondContact O-N 2.88Å; F200-I203 PolarHBondContact O-N 2.82Å; F200-W204 HydrophobicContact CE2-CE3 4.27Å; F200-W204 HydrophobicContact CZ-CD2 4.45Å; F200-W204 AromaticContact CZ-CE3 3.89Å; F200-W204 HydrophobicContact CZ-CE3 3.89Å; F200-W204 WeakPolarHBondContact O-CB 3.3Å; F200-W204 PolarHBondContact O-N 3.2Å; F200-Y243 HydrophobicContact CE1-CD1 4.17Å; F200-Y243 AromaticContact CE1-CE1 3.68Å; F200-Y243 HydrophobicContact CE1-CE1 3.68Å; F200-Y243 HydrophobicContact CZ-CD1 4.48Å; F200-Y243 HydrophobicContact CZ-CE1 4.35Å
201V98.3Very high97.8Very high7 Ų733.8 Ų33.84%0.04218%0.182CC..Hα-helixtrans-59.4-40.6177.9168.70000111.6F126 Y180 L197 V199 W204 T205 Y243F126-V201 HydrophobicContact CE1-CG2 4.13Å; F126-V201 HydrophobicContact CZ-CG2 4.5Å; Y180-V201 HydrophobicContact CD1-CG1 4.37Å; Y180-V201 HydrophobicContact CD1-CG2 3.91Å; Y180-V201 HydrophobicContact CD2-CG1 3.95Å; Y180-V201 HydrophobicContact CE1-CB 4.43Å; Y180-V201 HydrophobicContact CE1-CG1 3.87Å; Y180-V201 HydrophobicContact CE1-CG2 3.65Å; Y180-V201 HydrophobicContact CE2-CG1 3.38Å; Y180-V201 HydrophobicContact CG-CG1 4.4Å; Y180-V201 HydrophobicContact CG-CG2 4.49Å; Y180-V201 WeakPolarHBondContact OH-CG1 3.25Å; L197-V201 WeakPolarHBondContact O-CB 3.23Å; L197-V201 WeakPolarHBondContact O-CG2 3.41Å; L197-V201 PolarHBondContact O-N 2.75Å; V199-V201 VanDerWaalsContact C-N 3.33Å; V199-V201 PolarHBondContact O-N 2.7Å; V201-W204 PolarHBondContact O-N 2.86Å; V201-T205 VanDerWaalsContact O-CB 3.31Å; V201-T205 WeakPolarHBondContact O-CB 3.35Å; V201-T205 PolarHBondContact O-N 3.45Å; V201-T205 PolarHBondContact O-OG1 2.82Å; V201-Y243 WeakPolarHBondContact CG2-OH 3.32Å
202N98.4Very high97.8Very high13 Ų1334.7 Ų34.77%0.0719%0.188CC..Hα-helixtrans-66.6-44.9177.2-81.8-89.9000111.3L49 H166 Y198 V199 F200 W204 T205 I206L49-N202 HydrophobicContact CD1-CB 4.09Å; H166-N202 PolarHBondContact NE2-OD1 3.41Å; Y198-N202 PolarHBondContact O-N 2.85Å; Y198-N202 PolarHBondContact O-ND2 3Å; V199-N202 PolarHBondContact O-N 2.7Å; V199-N202 VanDerWaalsContact O-N 3.16Å; F200-N202 VanDerWaalsContact C-N 3.29Å; F200-N202 PolarHBondContact O-N 2.88Å; N202-W204 VanDerWaalsContact C-N 3.31Å; N202-W204 PolarHBondContact O-N 2.93Å; N202-T205 PolarHBondContact O-N 2.82Å; N202-I206 WeakPolarHBondContact O-CB 3.43Å; N202-I206 WeakPolarHBondContact O-CD1 3.38Å; N202-I206 VanDerWaalsContact O-CG1 3.29Å; N202-I206 WeakPolarHBondContact O-CG1 3.35Å; N202-I206 PolarHBondContact O-N 3.26Å
203I98.6Very high97.7Very high83 Ų8331.5 Ų31.543%0.42617%0.169SC..Hα-helixtrans-57.5-47.6174-66.6169.5000110.1L49 V199 F200 I206 S207L49-I203 HydrophobicContact CD1-CG1 3.73Å; L49-I203 HydrophobicContact CD2-CG1 4.1Å; V199-I203 HydrophobicContact CG1-CD1 3.99Å; V199-I203 HydrophobicContact CG1-CG1 4.48Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 2.84Å; F200-I203 PolarHBondContact O-N 2.82Å; I203-I206 PolarHBondContact O-N 3.18Å; I203-S207 WeakPolarHBondContact O-CB 3.42Å; I203-S207 PolarHBondContact O-N 3.4Å; I203-S207 PolarHBondContact O-OG 3.38Å
204W98.6Very high97.5Very high45 Ų4539.6 Ų39.617%0.1720%0.198CC..Hα-helixtrans-62.4-50.6-178.8-172.4-88.3000112F200 V201 N202 I206 S207 I208 I223 Q242 Y243F200-W204 HydrophobicContact CE2-CE3 4.27Å; F200-W204 HydrophobicContact CZ-CD2 4.45Å; F200-W204 AromaticContact CZ-CE3 3.89Å; F200-W204 HydrophobicContact CZ-CE3 3.89Å; F200-W204 WeakPolarHBondContact O-CB 3.3Å; F200-W204 PolarHBondContact O-N 3.2Å; V201-W204 PolarHBondContact O-N 2.86Å; N202-W204 VanDerWaalsContact C-N 3.31Å; N202-W204 PolarHBondContact O-N 2.93Å; W204-I206 PolarHBondContact O-N 3.38Å; W204-S207 WeakPolarHBondContact CA-OG 3.46Å; W204-S207 PolarHBondContact O-N 3.2Å; W204-S207 PolarHBondContact O-OG 3.11Å; W204-I208 HydrophobicContact CZ2-CG2 4.49Å; W204-I208 PolarHBondContact O-N 3.5Å; W204-I223 HydrophobicContact CH2-CG2 3.64Å; W204-I223 HydrophobicContact CZ2-CG2 4.01Å; W204-Q242 PolarHBondContact NE1-O 3.46Å; W204-Y243 HydrophobicContact CB-CD1 4.46Å; W204-Y243 HydrophobicContact CB-CE1 3.94Å; W204-Y243 AromaticContact CD1-CD1 3.47Å; W204-Y243 VanDerWaalsContact CD1-CD1 3.47Å; W204-Y243 AromaticContact CD1-CE1 3.46Å; W204-Y243 VanDerWaalsContact CD1-CE1 3.46Å; W204-Y243 AromaticContact CD2-CD1 3.59Å; W204-Y243 HydrophobicContact CD2-CD1 3.59Å; W204-Y243 AromaticContact CD2-CE1 3.98Å; W204-Y243 HydrophobicContact CD2-CE1 3.98Å; W204-Y243 AromaticContact CE2-CD1 3.49Å; W204-Y243 VanDerWaalsContact CE2-CD1 3.49Å; W204-Y243 HydrophobicContact CE3-CD1 4.34Å; W204-Y243 AromaticContact CG-CD1 3.59Å; W204-Y243 HydrophobicContact CG-CD1 3.59Å; W204-Y243 AromaticContact CG-CE1 3.49Å; W204-Y243 HydrophobicContact CG-CE1 3.49Å; W204-Y243 VanDerWaalsContact CG-CE1 3.49Å; W204-Y243 HydrophobicContact CZ2-CD1 4.15Å; W204-Y243 AromaticContact NE1-CD1 3.4Å; W204-Y243 AromaticContact NE1-CE1 3.92Å
205T98.2Very high97.3Very high19 Ų1940.8 Ų40.812%0.11721%0.206CC..Hα-helixtrans-57.6-37.4178.9-55.90000111.2S165 V201 N202 I208 H209 Q242S165-T205 WeakPolarHBondContact CB-O 3.24Å; V201-T205 VanDerWaalsContact O-CB 3.31Å; V201-T205 WeakPolarHBondContact O-CB 3.35Å; V201-T205 PolarHBondContact O-N 3.45Å; V201-T205 PolarHBondContact O-OG1 2.82Å; N202-T205 PolarHBondContact O-N 2.82Å; T205-I208 WeakPolarHBondContact O-CG1 3.32Å; T205-H209 PolarHBondContact O-ND1 3.25Å; T205-Q242 PolarHBondContact OG1-NE2 3.37Å; T205-Q242 VanDerWaalsContact OG1-NE2 3.11Å
206I98.7Very high97.1Very high4 Ų442.6 Ų42.62%0.02122%0.221CC..Hα-helixtrans-69.6-46.9173.6-69.2166.2000111.1L49 P162 S165 N202 I203 W204 I208 H209 D210L49-I206 HydrophobicContact CB-CD1 3.47Å; L49-I206 VanDerWaalsContact CB-CD1 3.47Å; L49-I206 HydrophobicContact CD1-CD1 4.36Å; P162-I206 HydrophobicContact CB-CG2 3.79Å; S165-I206 WeakPolarHBondContact OG-CG1 3.27Å; N202-I206 WeakPolarHBondContact O-CB 3.43Å; N202-I206 WeakPolarHBondContact O-CD1 3.38Å; N202-I206 VanDerWaalsContact O-CG1 3.29Å; N202-I206 WeakPolarHBondContact O-CG1 3.35Å; N202-I206 PolarHBondContact O-N 3.26Å; I203-I206 PolarHBondContact O-N 3.18Å; W204-I206 PolarHBondContact O-N 3.38Å; I206-I208 VanDerWaalsContact C-N 3.31Å; I206-I208 PolarHBondContact O-N 3.38Å; I206-H209 PolarHBondContact O-N 2.96Å; I206-D210 PolarHBondContact O-N 2.9Å
207S98.5Very high96.5Very high38 Ų3843.9 Ų43.927%0.26623%0.231SC..Hα-helixtrans-62.3-32.9-176.171.20000113.8I203 W204 H209 D210 S226I203-S207 WeakPolarHBondContact O-CB 3.42Å; I203-S207 PolarHBondContact O-N 3.4Å; I203-S207 PolarHBondContact O-OG 3.38Å; W204-S207 WeakPolarHBondContact CA-OG 3.46Å; W204-S207 PolarHBondContact O-N 3.2Å; W204-S207 PolarHBondContact O-OG 3.11Å; S207-H209 PolarHBondContact O-N 3.05Å; S207-D210 WeakPolarHBondContact CA-OD2 3.26Å; S207-D210 PolarHBondContact O-N 3.32Å; S207-S226 WeakPolarHBondContact O-CB 3.48Å
208I98.2Very high96.1Very high3 Ų347.1 Ų47.12%0.01527%0.266CS..THydrogen-bonded Turntrans-71.1-12.3177.464.4177.3000112.7W204 T205 I206 S226 H229W204-I208 HydrophobicContact CZ2-CG2 4.49Å; W204-I208 PolarHBondContact O-N 3.5Å; T205-I208 WeakPolarHBondContact O-CG1 3.32Å; I206-I208 VanDerWaalsContact C-N 3.31Å; I206-I208 PolarHBondContact O-N 3.38Å; I208-S226 VanDerWaalsContact O-CA 3.27Å; I208-S226 WeakPolarHBondContact O-CA 3.28Å; I208-S226 WeakPolarHBondContact O-CB 3.3Å; I208-S226 PolarHBondContact O-OG 3.49Å; I208-H229 HydrophobicContact CB-CB 4.04Å
209H98.6Very high96Very high5 Ų548.1 Ų48.12%0.02328%0.275CS..THydrogen-bonded Turntrans-103.2-7.1179.6-68.981.4000114.5H154 T160 T161 T205 I206 S207 G211 H229 H233H154-H209 AromaticContact CE1-NE2 3.28Å; H154-H209 PolarHBondContact CE1-NE2 2.98Å; H154-H209 VanDerWaalsContact CE1-NE2 3.28Å; H154-H209 AromaticContact NE2-NE2 3.44Å; H154-H209 PolarHBondContact NE2-NE2 3.18Å; T160-H209 CarbonylContact C-O 3.36Å; T160-H209 WeakPolarHBondContact CB-O 3.28Å; T160-H209 PolarHBondContact OG1-O 2.88Å; T161-H209 CarbonylContact C-O 3.55Å; T205-H209 PolarHBondContact O-ND1 3.25Å; I206-H209 PolarHBondContact O-N 2.96Å; S207-H209 PolarHBondContact O-N 3.05Å; H209-G211 VanDerWaalsContact C-N 3.34Å; H209-G211 PolarHBondContact O-N 3.37Å; H209-H229 AromaticContact CD2-CD2 3.87Å; H209-H229 AromaticContact CD2-NE2 3.74Å; H209-H229 AromaticContact CE1-CD2 3.62Å; H209-H229 AromaticContact CE1-NE2 3.18Å; H209-H229 PolarHBondContact CE1-NE2 2.82Å; H209-H229 AromaticContact ND1-CD2 3.95Å; H209-H229 AromaticContact ND1-NE2 3.96Å; H209-H229 AromaticContact NE2-CD2 3.61Å; H209-H229 AromaticContact NE2-NE2 3.03Å; H209-H229 PolarHBondContact NE2-NE2 2.97Å; H209-H233 AromaticContact CD2-NE2 3.82Å; H209-H233 AromaticContact NE2-NE2 3.57Å
210D97.4Very high95.5Very high6 Ų647.7 Ų47.73%0.03227%0.273CS..SBendtrans-84.7-2.3-170.569.415.6000115S53 F58 P162 I206 S207 D212S53-D210 VanDerWaalsContact OG-CB 3.23Å; S53-D210 WeakPolarHBondContact OG-CB 3.47Å; S53-D210 PolarHBondContact OG-OD2 3.35Å; F58-D210 WeakPolarHBondContact CD2-O 3.31Å; P162-D210 HydrophobicContact CB-CB 4.45Å; P162-D210 HydrophobicContact CG-CB 3.7Å; I206-D210 PolarHBondContact O-N 2.9Å; S207-D210 WeakPolarHBondContact CA-OD2 3.26Å; S207-D210 PolarHBondContact O-N 3.32Å; D210-D212 PolarHBondContact O-N 3.24Å; D210-D212 VanDerWaalsContact OD1-CB 3.3Å; D210-D212 WeakPolarHBondContact OD1-CB 3.39Å; D210-D212 PolarHBondContact OD1-N 3.44Å
211G95.4Very high95.2Very high11 Ų1145.3 Ų45.311%0.11327%0.27CS..  trans70.68.2178.700000114.4H209 Y213 S226H209-G211 VanDerWaalsContact C-N 3.34Å; H209-G211 PolarHBondContact O-N 3.37Å; G211-Y213 WeakPolarHBondContact O-CD1 3.5Å; G211-Y213 WeakPolarHBondContact O-CE1 3.46Å; G211-Y213 PolarHBondContact O-N 3.3Å; G211-S226 WeakPolarHBondContact CA-OG 3.37Å; G211-S226 PolarHBondContact N-OG 3.39Å
212D95.6Very high95.1Very high42 Ų4248.6 Ų48.623%0.22529%0.29CS..  trans-85.5105.5171.3-176.114.8000110.5I57 D210 R214 S226I57-D212 HydrophobicContact CG2-CB 3.69Å; D210-D212 PolarHBondContact O-N 3.24Å; D210-D212 VanDerWaalsContact OD1-CB 3.3Å; D210-D212 WeakPolarHBondContact OD1-CB 3.39Å; D210-D212 PolarHBondContact OD1-N 3.44Å; D212-R214 VanDerWaalsContact C-N 3.26Å; D212-R214 VanDerWaalsContact CG-NE 3.33Å; D212-R214 PolarHBondContact O-N 3.45Å; D212-R214 WeakPolarHBondContact OD1-CB 3.46Å; D212-R214 VanDerWaalsContact OD1-CG 3.3Å; D212-R214 WeakPolarHBondContact OD1-CG 3.24Å; D212-R214 IonicContact OD1-CZ 3.25Å; D212-R214 PolarHBondContact OD1-N 3.07Å; D212-R214 IonicContact OD1-NE 3.04Å; D212-R214 PolarHBondContact OD1-NE 3.43Å; D212-R214 IonicContact OD1-NH2 2.66Å; D212-R214 IonicContact OD2-CZ 3.01Å; D212-R214 VanDerWaalsContact OD2-CZ 3.25Å; D212-R214 IonicContact OD2-NE 3.67Å; D212-R214 PolarHBondContact OD2-NE 3.37Å; D212-R214 IonicContact OD2-NH2 3.63Å; D212-R214 PolarHBondContact OD2-NH2 3.48Å; D212-S226 WeakPolarHBondContact O-CB 3.24Å
213Y94.9Very high95.1Very high42 Ų4249.4 Ų49.417%0.16529%0.294CS..  trans-85.54.8-172.3-54-33.7000114.2G211 V215 A227 T230 A259G211-Y213 WeakPolarHBondContact O-CD1 3.5Å; G211-Y213 WeakPolarHBondContact O-CE1 3.46Å; G211-Y213 PolarHBondContact O-N 3.3Å; Y213-V215 PolarHBondContact O-N 2.94Å; Y213-A227 VanDerWaalsContact CD1-CA 3.43Å; Y213-A227 HydrophobicContact CD1-CB 3.7Å; Y213-A227 HydrophobicContact CE1-CB 4.43Å; Y213-A227 HydrophobicContact CG-CB 3.92Å; Y213-T230 WeakPolarHBondContact CE1-OG1 3.14Å; Y213-A259 HydrophobicContact CD1-CB 4.49Å; Y213-A259 HydrophobicContact CD2-CB 3.4Å; Y213-A259 HydrophobicContact CE1-CB 4.49Å; Y213-A259 HydrophobicContact CE2-CB 3.39Å; Y213-A259 HydrophobicContact CG-CB 3.98Å
214R93.3Very high95Very high194 Ų19445.5 Ų45.573%0.73227%0.274SS*.  trans-71.1114.3-176.9-68.4176.8-64.7178.41.6110.8D212D212-R214 VanDerWaalsContact C-N 3.26Å; D212-R214 VanDerWaalsContact CG-NE 3.33Å; D212-R214 PolarHBondContact O-N 3.45Å; D212-R214 WeakPolarHBondContact OD1-CB 3.46Å; D212-R214 VanDerWaalsContact OD1-CG 3.3Å; D212-R214 WeakPolarHBondContact OD1-CG 3.24Å; D212-R214 IonicContact OD1-CZ 3.25Å; D212-R214 PolarHBondContact OD1-N 3.07Å; D212-R214 IonicContact OD1-NE 3.04Å; D212-R214 PolarHBondContact OD1-NE 3.43Å; D212-R214 IonicContact OD1-NH2 2.66Å; D212-R214 IonicContact OD2-CZ 3.01Å; D212-R214 VanDerWaalsContact OD2-CZ 3.25Å; D212-R214 IonicContact OD2-NE 3.67Å; D212-R214 PolarHBondContact OD2-NE 3.37Å; D212-R214 IonicContact OD2-NH2 3.63Å; D212-R214 PolarHBondContact OD2-NH2 3.48Å
215V92.9Very high95Very high36 Ų3643.7 Ų43.722%0.21827%0.27CS..  trans-131.2139.9168.6175.80000107Y213 A217 L219 T220 I223Y213-V215 PolarHBondContact O-N 2.94Å; V215-A217 PolarHBondContact O-N 3.34Å; V215-L219 HydrophobicContact CG1-CB 4Å; V215-T220 HydrophobicContact CB-CG2 4.15Å; V215-T220 HydrophobicContact CG1-CG2 4.26Å; V215-I223 HydrophobicContact CG1-CB 4.06Å; V215-I223 HydrophobicContact CG1-CD1 4.1Å; V215-I223 HydrophobicContact CG1-CG2 4.28Å; V215-I223 HydrophobicContact CG2-CG2 4.32Å
216P92.1Very high94.9Very high87 Ų8743 Ų4357%0.56527%0.266SS*.  trans-50.5133.5174.9-2835.8000111.2G218 L219 T220P216-G218 VanDerWaalsContact C-N 3.28Å; P216-G218 PolarHBondContact O-N 3.29Å; P216-G218 VanDerWaalsContact O-N 3.1Å; P216-L219 HydrophobicContact CB-CD1 4.18Å; P216-L219 HydrophobicContact CB-CG 4.36Å; P216-L219 HydrophobicContact CG-CD1 4.21Å; P216-L219 WeakPolarHBondContact O-CA 3.16Å; P216-L219 PolarHBondContact O-N 3.23Å; P216-T220 PolarHBondContact O-N 2.9Å
217A86.1Confident94.9Very high85 Ų8543 Ų4370%0.70227%0.266SS*.G310 helixtrans-51.5-43.7-167.300000113.5V215 L219 T220V215-A217 PolarHBondContact O-N 3.34Å; A217-L219 PolarHBondContact O-N 3.41Å; A217-T220 PolarHBondContact O-N 3.23Å; A217-T220 PolarHBondContact O-OG1 2.64Å
218G90.1Very high94.8Very high75 Ų7541.4 Ų41.477%0.77325%0.254SS*.G310 helixtrans-68.8-13178.200000115.6P216P216-G218 VanDerWaalsContact C-N 3.28Å; P216-G218 PolarHBondContact O-N 3.29Å; P216-G218 VanDerWaalsContact O-N 3.1Å
219L94.3Very high94.8Very high81 Ų8141.7 Ų41.742%0.42426%0.256SS..G310 helixtrans-105.9-7.8-178.9-59.6179.6000113.2V215 P216 A217 G221 V222 I223V215-L219 HydrophobicContact CG1-CB 4Å; P216-L219 HydrophobicContact CB-CD1 4.18Å; P216-L219 HydrophobicContact CB-CG 4.36Å; P216-L219 HydrophobicContact CG-CD1 4.21Å; P216-L219 WeakPolarHBondContact O-CA 3.16Å; P216-L219 PolarHBondContact O-N 3.23Å; A217-L219 PolarHBondContact O-N 3.41Å; L219-G221 PolarHBondContact O-N 3.47Å; L219-V222 PolarHBondContact O-N 3.34Å; L219-I223 HydrophobicContact CB-CD1 3.74Å; L219-I223 HydrophobicContact CB-CG1 4.14Å; L219-I223 HydrophobicContact CD1-CD1 3.84Å; L219-I223 HydrophobicContact CG-CD1 4.36Å; L219-I223 PolarHBondContact O-N 2.79Å
220T88.9Confident94.8Very high49 Ų4941.6 Ų41.630%0.30126%0.256SS..THydrogen-bonded Turntrans-55.5-33.7179.953.30000113.4V215 P216 A217 V222 H228V215-T220 HydrophobicContact CB-CG2 4.15Å; V215-T220 HydrophobicContact CG1-CG2 4.26Å; P216-T220 PolarHBondContact O-N 2.9Å; A217-T220 PolarHBondContact O-N 3.23Å; A217-T220 PolarHBondContact O-OG1 2.64Å; T220-V222 VanDerWaalsContact C-N 3.33Å; T220-H228 PolarHBondContact O-CE1 3.34Å
221G92Very high94.8Very high27 Ų2741.3 Ų41.328%0.27825%0.254SS..THydrogen-bonded Turntrans-79.8-11.4177.300000114.8L219 T245 R249L219-G221 PolarHBondContact O-N 3.47Å; G221-T245 PolarHBondContact O-OG1 3.22Å; G221-R249 PolarHBondContact O-NE 2.99Å; G221-R249 PolarHBondContact O-NH2 3.08Å
222V96.6Very high94.9Very high75 Ų7540.8 Ų40.846%0.45525%0.249SC..THydrogen-bonded Turntrans-112.3-42.8-173.6179.90000111.4L219 T220 F244 T245L219-V222 PolarHBondContact O-N 3.34Å; T220-V222 VanDerWaalsContact C-N 3.33Å; V222-F244 HydrophobicContact CG1-CD1 4.25Å; V222-F244 CarbonylContact O-C 3.56Å; V222-F244 VanDerWaalsContact O-CA 3.28Å; V222-F244 WeakPolarHBondContact O-CA 3.47Å; V222-T245 PolarHBondContact O-N 2.95Å; V222-T245 PolarHBondContact O-OG1 2.93Å
223I97.8Very high95Very high31 Ų3139.1 Ų39.116%0.15924%0.239CC..BIsolated β-bridgetrans-83.2126.2-177.3-70178.4000110.8W204 V215 L219 G225 H228W204-I223 HydrophobicContact CH2-CG2 3.64Å; W204-I223 HydrophobicContact CZ2-CG2 4.01Å; V215-I223 HydrophobicContact CG1-CB 4.06Å; V215-I223 HydrophobicContact CG1-CD1 4.1Å; V215-I223 HydrophobicContact CG1-CG2 4.28Å; V215-I223 HydrophobicContact CG2-CG2 4.32Å; L219-I223 HydrophobicContact CB-CD1 3.74Å; L219-I223 HydrophobicContact CB-CG1 4.14Å; L219-I223 HydrophobicContact CD1-CD1 3.84Å; L219-I223 HydrophobicContact CG-CD1 4.36Å; L219-I223 PolarHBondContact O-N 2.79Å; I223-G225 PolarHBondContact O-N 2.83Å; I223-H228 PolarHBondContact O-CE1 3.13Å; I223-H228 PolarHBondContact O-ND1 2.8Å
224N97.8Very high95.1Very high1 Ų139.4 Ų39.41%0.00524%0.244CC..  trans-8480.9168-168.5-17.6000109.3H228 N239 G241 Y243 T245 D248N224-H228 WeakPolarHBondContact OD1-CB 3.2Å; N224-N239 PolarHBondContact ND2-O 2.71Å; N224-G241 WeakPolarHBondContact ND2-CA 3.34Å; N224-G241 PolarHBondContact ND2-N 2.9Å; N224-G241 PolarHBondContact ND2-O 3.41Å; N224-Y243 PolarHBondContact N-O 3.45Å; N224-T245 HydrophobicContact CB-CG2 4.27Å; N224-D248 PolarHBondContact ND2-OD2 3.28Å
225G97.2Very high95.2Very high7 Ų734 Ų347%0.07223%0.226CC..  trans-92.3-171.6-179.700000114.2I223 A227 H228 H229I223-G225 PolarHBondContact O-N 2.83Å; G225-A227 PolarHBondContact O-N 2.77Å; G225-H228 PolarHBondContact N-ND1 3.45Å; G225-H228 WeakPolarHBondContact O-CB 3.29Å; G225-H228 PolarHBondContact O-N 3Å; G225-H229 PolarHBondContact O-N 3.39Å
226S97.3Very high95.1Very high5 Ų534.7 Ų34.74%0.03523%0.226CC..Hα-helixtrans-56.6-31.3-174.3-170.80000114.8S207 I208 G211 D212 H228 H229 T230S207-S226 WeakPolarHBondContact O-CB 3.48Å; I208-S226 VanDerWaalsContact O-CA 3.27Å; I208-S226 WeakPolarHBondContact O-CA 3.28Å; I208-S226 WeakPolarHBondContact O-CB 3.3Å; I208-S226 PolarHBondContact O-OG 3.49Å; G211-S226 WeakPolarHBondContact CA-OG 3.37Å; G211-S226 PolarHBondContact N-OG 3.39Å; D212-S226 WeakPolarHBondContact O-CB 3.24Å; S226-H228 VanDerWaalsContact C-N 3.35Å; S226-H228 PolarHBondContact O-N 3.39Å; S226-H229 PolarHBondContact O-N 3.36Å; S226-T230 VanDerWaalsContact O-CB 3.29Å; S226-T230 WeakPolarHBondContact O-CB 3.39Å; S226-T230 PolarHBondContact O-N 3.26Å; S226-T230 PolarHBondContact O-OG1 3.06Å
227A97.1Very high95.1Very high4 Ų434.9 Ų34.93%0.03322%0.222CC..Hα-helixtrans-63.4-41.3177.300000112.4Y213 G225 D231 P257 A259 L260Y213-A227 VanDerWaalsContact CD1-CA 3.43Å; Y213-A227 HydrophobicContact CD1-CB 3.7Å; Y213-A227 HydrophobicContact CE1-CB 4.43Å; Y213-A227 HydrophobicContact CG-CB 3.92Å; G225-A227 PolarHBondContact O-N 2.77Å; A227-D231 PolarHBondContact O-N 3.48Å; A227-P257 HydrophobicContact CB-CB 3.61Å; A227-P257 HydrophobicContact CB-CG 3.93Å; A227-A259 HydrophobicContact CB-CB 4.33Å; A227-L260 HydrophobicContact CB-CD2 4.49Å; A227-L260 HydrophobicContact CB-CG 4.19Å
228H97.9Very high95.6Very high3 Ų334.7 Ų34.71%0.01420%0.204CC..Hα-helixtrans-69.7-43.6178.4-65.688.5000110.7T220 I223 N224 G225 S226 D231 H232 N239 Y254 P257T220-H228 PolarHBondContact O-CE1 3.34Å; I223-H228 PolarHBondContact O-CE1 3.13Å; I223-H228 PolarHBondContact O-ND1 2.8Å; N224-H228 WeakPolarHBondContact OD1-CB 3.2Å; G225-H228 PolarHBondContact N-ND1 3.45Å; G225-H228 WeakPolarHBondContact O-CB 3.29Å; G225-H228 PolarHBondContact O-N 3Å; S226-H228 VanDerWaalsContact C-N 3.35Å; S226-H228 PolarHBondContact O-N 3.39Å; H228-D231 WeakPolarHBondContact O-CB 3.48Å; H228-D231 PolarHBondContact O-N 3.19Å; H228-H232 PolarHBondContact O-N 2.83Å; H228-N239 HydrophobicContact CB-CB 4.08Å; H228-N239 PolarHBondContact O-ND2 3.38Å; H228-Y254 AromaticContact NE2-CE2 3.95Å; H228-P257 HydrophobicContact CB-CG 4.18Å; H228-P257 WeakPolarHBondContact CD2-CG 3.26Å; H228-P257 VanDerWaalsContact CG-CG 3.42Å; H228-P257 WeakPolarHBondContact NE2-CD 3.34Å; H228-P257 WeakPolarHBondContact NE2-CG 3.47Å
229H97.9Very high96Very high9 Ų931.1 Ų31.14%0.04217%0.167CC..Hα-helixtrans-71.1-32.2179.9-161.767.4000112.7I208 H209 G225 S226 H232 H233I208-H229 HydrophobicContact CB-CB 4.04Å; H209-H229 AromaticContact CD2-CD2 3.87Å; H209-H229 AromaticContact CD2-NE2 3.74Å; H209-H229 AromaticContact CE1-CD2 3.62Å; H209-H229 AromaticContact CE1-NE2 3.18Å; H209-H229 PolarHBondContact CE1-NE2 2.82Å; H209-H229 AromaticContact ND1-CD2 3.95Å; H209-H229 AromaticContact ND1-NE2 3.96Å; H209-H229 AromaticContact NE2-CD2 3.61Å; H209-H229 AromaticContact NE2-NE2 3.03Å; H209-H229 PolarHBondContact NE2-NE2 2.97Å; G225-H229 PolarHBondContact O-N 3.39Å; S226-H229 PolarHBondContact O-N 3.36Å; H229-H232 AromaticContact CE1-CD2 3.85Å; H229-H232 VanDerWaalsContact O-CB 3.25Å; H229-H232 WeakPolarHBondContact O-CB 3.4Å; H229-H232 PolarHBondContact O-N 3.39Å; H229-H233 AromaticContact CD2-CD2 3.51Å; H229-H233 AromaticContact CD2-NE2 3.56Å; H229-H233 AromaticContact CE1-NE2 3.8Å; H229-H233 AromaticContact NE2-CD2 3.35Å; H229-H233 PolarHBondContact NE2-CD2 3.34Å; H229-H233 VanDerWaalsContact NE2-CD2 3.35Å; H229-H233 AromaticContact NE2-NE2 2.97Å; H229-H233 PolarHBondContact NE2-NE2 2.75Å; H229-H233 PolarHBondContact O-CD2 3.27Å; H229-H233 VanDerWaalsContact O-CD2 3.32Å; H229-H233 PolarHBondContact O-N 2.93Å
230T97.9Very high96.2Very high4 Ų427.9 Ų27.93%0.02515%0.149CC..Hα-helixtrans-60.8-46.8169.7-63.90000110.8Y213 S226 H232 H233 L234 P265Y213-T230 WeakPolarHBondContact CE1-OG1 3.14Å; S226-T230 VanDerWaalsContact O-CB 3.29Å; S226-T230 WeakPolarHBondContact O-CB 3.39Å; S226-T230 PolarHBondContact O-N 3.26Å; S226-T230 PolarHBondContact O-OG1 3.06Å; T230-H232 PolarHBondContact O-N 3.28Å; T230-H233 PolarHBondContact O-N 3.45Å; T230-L234 HydrophobicContact CG2-CD1 3.92Å; T230-L234 HydrophobicContact CG2-CG 4.48Å; T230-L234 VanDerWaalsContact O-CG 3.3Å; T230-L234 WeakPolarHBondContact O-CG 3.47Å; T230-L234 PolarHBondContact O-N 3.42Å; T230-P265 HydrophobicContact CG2-CG 3.69Å
231D97.4Very high96.6Very high0 Ų025.6 Ų25.60%014%0.135CC..Hα-helixtrans-61.7-34.8175.2-91.626.8000111.8A227 H228 L234 F235 R255 P257 S258A227-D231 PolarHBondContact O-N 3.48Å; H228-D231 WeakPolarHBondContact O-CB 3.48Å; H228-D231 PolarHBondContact O-N 3.19Å; D231-L234 PolarHBondContact O-N 2.93Å; D231-F235 HydrophobicContact CB-CD2 3.86Å; D231-F235 HydrophobicContact CB-CE2 4.11Å; D231-F235 WeakPolarHBondContact O-CB 3.5Å; D231-F235 WeakPolarHBondContact O-CD2 3.41Å; D231-F235 PolarHBondContact O-N 3.48Å; D231-R255 IonicContact OD2-NE 3.42Å; D231-P257 WeakPolarHBondContact OD2-CA 3.31Å; D231-S258 WeakPolarHBondContact OD1-CB 3.47Å; D231-S258 PolarHBondContact OD1-N 2.89Å; D231-S258 PolarHBondContact OD1-OG 3.31Å; D231-S258 PolarHBondContact OD2-N 2.95Å
232H98.2Very high96.8Very high0 Ų024.9 Ų24.90%013%0.125CC..Hα-helixtrans-59.5-49.5172.9174.870.7000112.1H138 H142 H155 H228 H229 T230 L234 F236 Y238 N239 Y240H138-H232 AromaticContact CE1-CD2 3.78Å; H138-H232 AromaticContact CE1-CE1 3.6Å; H138-H232 AromaticContact CE1-NE2 3.2Å; H138-H232 PolarHBondContact CE1-NE2 3.5Å; H138-H232 AromaticContact NE2-CD2 3.97Å; H138-H232 AromaticContact NE2-CE1 3.52Å; H138-H232 AromaticContact NE2-NE2 3.01Å; H138-H232 PolarHBondContact NE2-NE2 2.97Å; H142-H232 AromaticContact CD2-CE1 3.91Å; H142-H232 AromaticContact CE1-CE1 3.26Å; H142-H232 PolarHBondContact CE1-CE1 3.17Å; H142-H232 AromaticContact CE1-NE2 3.45Å; H142-H232 PolarHBondContact CE1-NE2 3.19Å; H142-H232 AromaticContact NE2-CE1 2.99Å; H142-H232 PolarHBondContact NE2-CE1 3.48Å; H142-H232 AromaticContact NE2-NE2 3.09Å; H142-H232 PolarHBondContact NE2-NE2 3.44Å; H155-H232 AromaticContact CE1-CD2 3.43Å; H155-H232 PolarHBondContact CE1-CD2 3.37Å; H155-H232 VanDerWaalsContact CE1-CD2 3.43Å; H155-H232 AromaticContact CE1-CE1 3.86Å; H155-H232 AromaticContact CE1-NE2 3.07Å; H155-H232 PolarHBondContact CE1-NE2 3.28Å; H155-H232 AromaticContact NE2-CD2 3.79Å; H155-H232 AromaticContact NE2-NE2 3.1Å; H155-H232 PolarHBondContact NE2-NE2 3.16Å; H228-H232 PolarHBondContact O-N 2.83Å; H229-H232 AromaticContact CE1-CD2 3.85Å; H229-H232 VanDerWaalsContact O-CB 3.25Å; H229-H232 WeakPolarHBondContact O-CB 3.4Å; H229-H232 PolarHBondContact O-N 3.39Å; T230-H232 PolarHBondContact O-N 3.28Å; H232-L234 VanDerWaalsContact C-N 3.26Å; H232-L234 PolarHBondContact O-N 3.34Å; H232-F236 PolarHBondContact CE1-O 3.02Å; H232-F236 VanDerWaalsContact O-CA 3.24Å; H232-F236 WeakPolarHBondContact O-CA 3.3Å; H232-F236 PolarHBondContact O-N 3.11Å; H232-Y238 WeakPolarHBondContact CB-O 3.24Å; H232-Y238 PolarHBondContact ND1-O 2.55Å; H232-N239 HydrophobicContact CB-CB 4.46Å; H232-Y240 AromaticContact CE1-CD1 3.51Å; H232-Y240 AromaticContact CE1-CE1 3.63Å; H232-Y240 AromaticContact ND1-CD1 3.96Å
233H97.9Very high96.9Very high6 Ų621.5 Ų21.53%0.02810%0.104CC..Hα-helixtrans-64.2-27.2176-83-85.7000113.7H154 H155 W157 T160 H209 H229 T230H154-H233 AromaticContact CD2-CE1 3.54Å; H154-H233 AromaticContact CE1-CE1 3.73Å; H154-H233 AromaticContact NE2-CE1 3.2Å; H154-H233 PolarHBondContact NE2-CE1 2.9Å; H154-H233 AromaticContact NE2-NE2 3.35Å; H154-H233 PolarHBondContact NE2-NE2 3.49Å; H155-H233 AromaticContact ND1-ND1 3.99Å; W157-H233 PolarHBondContact O-ND1 2.89Å; T160-H233 HydrophobicContact CG2-CB 4.47Å; H209-H233 AromaticContact CD2-NE2 3.82Å; H209-H233 AromaticContact NE2-NE2 3.57Å; H229-H233 AromaticContact CD2-CD2 3.51Å; H229-H233 AromaticContact CD2-NE2 3.56Å; H229-H233 AromaticContact CE1-NE2 3.8Å; H229-H233 AromaticContact NE2-CD2 3.35Å; H229-H233 PolarHBondContact NE2-CD2 3.34Å; H229-H233 VanDerWaalsContact NE2-CD2 3.35Å; H229-H233 AromaticContact NE2-NE2 2.97Å; H229-H233 PolarHBondContact NE2-NE2 2.75Å; H229-H233 PolarHBondContact O-CD2 3.27Å; H229-H233 VanDerWaalsContact O-CD2 3.32Å; H229-H233 PolarHBondContact O-N 2.93Å; T230-H233 PolarHBondContact O-N 3.45Å
234L96.4Very high96.9Very high49 Ų4921.9 Ų21.926%0.25711%0.105SC..Hα-helixtrans-85-41.5179.7-69.2171.8000113.5K158 I159 T230 D231 H232 P265K158-L234 HydrophobicContact CB-CD2 4.36Å; I159-L234 HydrophobicContact CD1-CD2 4.07Å; T230-L234 HydrophobicContact CG2-CD1 3.92Å; T230-L234 HydrophobicContact CG2-CG 4.48Å; T230-L234 VanDerWaalsContact O-CG 3.3Å; T230-L234 WeakPolarHBondContact O-CG 3.47Å; T230-L234 PolarHBondContact O-N 3.42Å; D231-L234 PolarHBondContact O-N 2.93Å; H232-L234 VanDerWaalsContact C-N 3.26Å; H232-L234 PolarHBondContact O-N 3.34Å; L234-P265 HydrophobicContact CD1-CG 3.89Å
235F95.1Very high97Very high81 Ų8122 Ų2236%0.35511%0.105SC..Hα-helixtrans-113-7.5-168.6-56.1-58.1000114.2D231 D237 Y238D231-F235 HydrophobicContact CB-CD2 3.86Å; D231-F235 HydrophobicContact CB-CE2 4.11Å; D231-F235 WeakPolarHBondContact O-CB 3.5Å; D231-F235 WeakPolarHBondContact O-CD2 3.41Å; D231-F235 PolarHBondContact O-N 3.48Å; F235-D237 PolarHBondContact O-N 3.23Å; F235-Y238 HydrophobicContact CB-CD2 3.83Å; F235-Y238 HydrophobicContact CB-CE2 4.16Å
236F90.6Very high97Very high49 Ų4925 Ų2522%0.21512%0.119CC..SBendtrans70.8-51.8171-167.5-109.1000115.8H142 Y147 H232 Y238H142-F236 HydrophobicContact CB-CZ 4.14Å; H142-F236 AromaticContact CE1-CD2 3.57Å; H142-F236 AromaticContact CE1-CE2 3.25Å; H142-F236 WeakPolarHBondContact CE1-CE2 3.23Å; H142-F236 AromaticContact CE1-CZ 3.89Å; H142-F236 AromaticContact CG-CZ 3.94Å; H142-F236 AromaticContact ND1-CD2 3.43Å; H142-F236 WeakPolarHBondContact ND1-CD2 3.44Å; H142-F236 AromaticContact ND1-CE1 3.68Å; H142-F236 AromaticContact ND1-CE2 2.8Å; H142-F236 WeakPolarHBondContact ND1-CE2 3.22Å; H142-F236 AromaticContact ND1-CZ 2.97Å; H142-F236 WeakPolarHBondContact ND1-CZ 3.3Å; Y147-F236 HydrophobicContact CD1-CE2 4.26Å; Y147-F236 AromaticContact CD1-CZ 3.8Å; Y147-F236 HydrophobicContact CD1-CZ 3.8Å; Y147-F236 AromaticContact CD2-CE2 3.49Å; Y147-F236 HydrophobicContact CD2-CE2 3.49Å; Y147-F236 VanDerWaalsContact CD2-CE2 3.49Å; Y147-F236 AromaticContact CD2-CZ 3.43Å; Y147-F236 HydrophobicContact CD2-CZ 3.43Å; Y147-F236 VanDerWaalsContact CD2-CZ 3.43Å; Y147-F236 AromaticContact CE1-CE2 3.82Å; Y147-F236 HydrophobicContact CE1-CE2 3.82Å; Y147-F236 AromaticContact CE1-CZ 3.76Å; Y147-F236 HydrophobicContact CE1-CZ 3.76Å; Y147-F236 HydrophobicContact CE2-CD2 4.14Å; Y147-F236 AromaticContact CE2-CE2 3.02Å; Y147-F236 HydrophobicContact CE2-CE2 3.02Å; Y147-F236 AromaticContact CE2-CZ 3.48Å; Y147-F236 HydrophobicContact CE2-CZ 3.48Å; Y147-F236 VanDerWaalsContact CE2-CZ 3.48Å; Y147-F236 HydrophobicContact CG-CE2 4.1Å; Y147-F236 AromaticContact CG-CZ 3.62Å; Y147-F236 HydrophobicContact CG-CZ 3.62Å; Y147-F236 AromaticContact CZ-CE2 3.15Å; Y147-F236 AromaticContact CZ-CZ 3.58Å; Y147-F236 WeakPolarHBondContact OH-CE2 3.37Å; H232-F236 PolarHBondContact CE1-O 3.02Å; H232-F236 VanDerWaalsContact O-CA 3.24Å; H232-F236 WeakPolarHBondContact O-CA 3.3Å; H232-F236 PolarHBondContact O-N 3.11Å; F236-Y238 VanDerWaalsContact C-N 3.33Å; F236-Y238 PolarHBondContact O-N 3.4Å
237D93.1Very high97.1Very high92 Ų9227.2 Ų27.249%0.49213%0.127SC..SBendtrans-87.19.2-164.3-68.6-50.8000115.4F235 Y240F235-D237 PolarHBondContact O-N 3.23Å; D237-Y240 VanDerWaalsContact C-OH 3.26Å; D237-Y240 VanDerWaalsContact CA-OH 3.25Å; D237-Y240 WeakPolarHBondContact CA-OH 3.45Å; D237-Y240 PolarHBondContact O-OH 3.13Å
238Y96.8Very high97.1Very high80 Ų8027 Ų2731%0.31413%0.125SC..SBendtrans-135.2157.7-167.8-54.1-73.9000113.6H232 F235 F236 S253 R255H232-Y238 WeakPolarHBondContact CB-O 3.24Å; H232-Y238 PolarHBondContact ND1-O 2.55Å; F235-Y238 HydrophobicContact CB-CD2 3.83Å; F235-Y238 HydrophobicContact CB-CE2 4.16Å; F236-Y238 VanDerWaalsContact C-N 3.33Å; F236-Y238 PolarHBondContact O-N 3.4Å; Y238-S253 CarbonylContact C-O 3.52Å; Y238-S253 WeakPolarHBondContact CA-O 3.42Å; Y238-S253 WeakPolarHBondContact CB-O 3.49Å; Y238-R255 HydrophobicContact CD1-CB 3.81Å; Y238-R255 HydrophobicContact CD2-CB 4.42Å; Y238-R255 HydrophobicContact CG-CB 3.71Å; Y238-R255 HydrophobicContact CG-CG 4.37Å
239N98Very high97.1Very high0 Ų032.5 Ų32.50%015%0.146CC..  trans57.553167.8-57.8-29.8000115.1N224 H228 H232 D248 S253 R255N224-N239 PolarHBondContact ND2-O 2.71Å; H228-N239 HydrophobicContact CB-CB 4.08Å; H228-N239 PolarHBondContact O-ND2 3.38Å; H232-N239 HydrophobicContact CB-CB 4.46Å; N239-D248 VanDerWaalsContact CA-CG 3.45Å; N239-D248 VanDerWaalsContact CA-OD1 3.22Å; N239-D248 WeakPolarHBondContact CA-OD1 3.17Å; N239-D248 WeakPolarHBondContact CA-OD2 3.21Å; N239-D248 PolarHBondContact N-OD1 2.91Å; N239-S253 PolarHBondContact N-O 3.47Å; N239-R255 PolarHBondContact ND2-O 3.47Å; N239-R255 PolarHBondContact OD1-N 3.35Å; N239-R255 PolarHBondContact OD1-O 3.33Å
240Y98.1Very high97.1Very high13 Ų1337.8 Ų37.85%0.05117%0.174CC..  trans-77-16.1-179-55.5-76.2000114.7Y135 H138 R139 H142 H232 D237 D248 S253Y135-Y240 HydrophobicContact CE2-CD2 4.09Å; H138-Y240 PolarHBondContact ND1-O 3.38Å; R139-Y240 HydrophobicContact CB-CD2 4.24Å; R139-Y240 HydrophobicContact CB-CG 4.23Å; R139-Y240 HydrophobicContact CG-CD2 4.27Å; R139-Y240 HydrophobicContact CG-CE2 4.13Å; H142-Y240 HydrophobicContact CB-CE1 3.97Å; H142-Y240 AromaticContact CD2-CD1 3.58Å; H142-Y240 AromaticContact CD2-CE1 3.31Å; H142-Y240 WeakPolarHBondContact CD2-CE1 3.45Å; H142-Y240 AromaticContact CG-CE1 3.51Å; H142-Y240 AromaticContact NE2-CD1 3.94Å; H142-Y240 AromaticContact NE2-CE1 3.75Å; H232-Y240 AromaticContact CE1-CD1 3.51Å; H232-Y240 AromaticContact CE1-CE1 3.63Å; H232-Y240 AromaticContact ND1-CD1 3.96Å; D237-Y240 VanDerWaalsContact C-OH 3.26Å; D237-Y240 VanDerWaalsContact CA-OH 3.25Å; D237-Y240 WeakPolarHBondContact CA-OH 3.45Å; D237-Y240 PolarHBondContact O-OH 3.13Å; Y240-D248 PolarHBondContact N-OD1 3.2Å; Y240-D248 PolarHBondContact N-OD2 2.87Å; Y240-S253 WeakPolarHBondContact CD2-OG 3.36Å
241G97.4Very high97.1Very high1 Ų138.6 Ų38.61%0.0118%0.183CC..  trans-60.1153.8-177.100000112.9N224 D248N224-G241 WeakPolarHBondContact ND2-CA 3.34Å; N224-G241 PolarHBondContact ND2-N 2.9Å; N224-G241 PolarHBondContact ND2-O 3.41Å; G241-D248 WeakPolarHBondContact CA-OD2 3.36Å; G241-D248 PolarHBondContact N-OD2 3.5Å
242Q97.1Very high97.1Very high13 Ų1341.8 Ų41.86%0.06122%0.216CC..SBendtrans-85.2-56-178.9178.868.5-0.100110.5D131 I134 Y180 W204 T205D131-Q242 PolarHBondContact OD1-N 2.9Å; I134-Q242 HydrophobicContact CB-CB 4.31Å; I134-Q242 HydrophobicContact CD1-CB 4.32Å; I134-Q242 HydrophobicContact CD1-CG 4.18Å; I134-Q242 HydrophobicContact CG2-CB 3.99Å; Y180-Q242 PolarHBondContact OH-NE2 3.1Å; W204-Q242 PolarHBondContact NE1-O 3.46Å; T205-Q242 PolarHBondContact OG1-NE2 3.37Å; T205-Q242 VanDerWaalsContact OG1-NE2 3.11Å
243Y97.9Very high97.1Very high4 Ų442 Ų422%0.01622%0.217CC..SBendtrans-110.6-39.8-174-52.4-73.9000112.2L127 D131 Y180 F200 V201 W204 N224L127-Y243 HydrophobicContact CD2-CE1 4.48Å; L127-Y243 HydrophobicContact CD2-CE2 4.33Å; D131-Y243 HydrophobicContact CB-CD2 3.93Å; D131-Y243 PolarHBondContact OD1-N 2.93Å; Y180-Y243 HydrophobicContact CE1-CE2 4.39Å; Y180-Y243 VanDerWaalsContact CE1-OH 3.24Å; Y180-Y243 WeakPolarHBondContact CE1-OH 3.46Å; Y180-Y243 PolarHBondContact OH-OH 2.97Å; F200-Y243 HydrophobicContact CE1-CD1 4.17Å; F200-Y243 AromaticContact CE1-CE1 3.68Å; F200-Y243 HydrophobicContact CE1-CE1 3.68Å; F200-Y243 HydrophobicContact CZ-CD1 4.48Å; F200-Y243 HydrophobicContact CZ-CE1 4.35Å; V201-Y243 WeakPolarHBondContact CG2-OH 3.32Å; W204-Y243 HydrophobicContact CB-CD1 4.46Å; W204-Y243 HydrophobicContact CB-CE1 3.94Å; W204-Y243 AromaticContact CD1-CD1 3.47Å; W204-Y243 VanDerWaalsContact CD1-CD1 3.47Å; W204-Y243 AromaticContact CD1-CE1 3.46Å; W204-Y243 VanDerWaalsContact CD1-CE1 3.46Å; W204-Y243 AromaticContact CD2-CD1 3.59Å; W204-Y243 HydrophobicContact CD2-CD1 3.59Å; W204-Y243 AromaticContact CD2-CE1 3.98Å; W204-Y243 HydrophobicContact CD2-CE1 3.98Å; W204-Y243 AromaticContact CE2-CD1 3.49Å; W204-Y243 VanDerWaalsContact CE2-CD1 3.49Å; W204-Y243 HydrophobicContact CE3-CD1 4.34Å; W204-Y243 AromaticContact CG-CD1 3.59Å; W204-Y243 HydrophobicContact CG-CD1 3.59Å; W204-Y243 AromaticContact CG-CE1 3.49Å; W204-Y243 HydrophobicContact CG-CE1 3.49Å; W204-Y243 VanDerWaalsContact CG-CE1 3.49Å; W204-Y243 HydrophobicContact CZ2-CD1 4.15Å; W204-Y243 AromaticContact NE1-CD1 3.4Å; W204-Y243 AromaticContact NE1-CE1 3.92Å; N224-Y243 PolarHBondContact N-O 3.45Å
244F98.5Very high97.1Very high39 Ų3944.5 Ų44.517%0.17123%0.227CC..BIsolated β-bridgetrans-121.5153-170.2-50.5-67.4000112L127 F128 D131 V222 L246L127-F244 HydrophobicContact CB-CE2 4.32Å; F128-F244 HydrophobicContact CE2-CE2 4.5Å; D131-F244 HydrophobicContact CB-CD2 4.15Å; D131-F244 PolarHBondContact OD1-N 3.21Å; D131-F244 WeakPolarHBondContact OD2-CB 3.16Å; V222-F244 HydrophobicContact CG1-CD1 4.25Å; V222-F244 CarbonylContact O-C 3.56Å; V222-F244 VanDerWaalsContact O-CA 3.28Å; V222-F244 WeakPolarHBondContact O-CA 3.47Å; F244-L246 HydrophobicContact CB-CB 4.28Å; F244-L246 PolarHBondContact O-N 3.49Å
245T98.1Very high97.1Very high3 Ų346.2 Ų46.22%0.01823%0.23CC..SBendtrans-81.2-2.4173.767.10000112.4G221 V222 N224 W247 D248 R249 Y254G221-T245 PolarHBondContact O-OG1 3.22Å; V222-T245 PolarHBondContact O-N 2.95Å; V222-T245 PolarHBondContact O-OG1 2.93Å; N224-T245 HydrophobicContact CB-CG2 4.27Å; T245-W247 PolarHBondContact O-N 3.49Å; T245-D248 PolarHBondContact O-N 3.33Å; T245-R249 VanDerWaalsContact O-CG 3.29Å; T245-R249 WeakPolarHBondContact O-CG 3.48Å; T245-R249 PolarHBondContact O-N 3.05Å; T245-R249 PolarHBondContact OG1-NE 3.41Å; T245-Y254 HydrophobicContact CG2-CD2 4.13Å; T245-Y254 HydrophobicContact CG2-CE2 3.8Å
246L98.3Very high97.1Very high70 Ų7046.4 Ų46.437%0.36623%0.231SC..Hα-helixtrans-55-54.4-173.9174.962000111.9F128 F244 D248 R249 L250F128-L246 HydrophobicContact CD1-CD2 4.31Å; F128-L246 HydrophobicContact CE1-CD2 3.99Å; F244-L246 HydrophobicContact CB-CB 4.28Å; F244-L246 PolarHBondContact O-N 3.49Å; L246-D248 VanDerWaalsContact C-N 3.34Å; L246-D248 PolarHBondContact O-N 3.01Å; L246-R249 WeakPolarHBondContact O-CB 3.37Å; L246-R249 PolarHBondContact O-N 2.81Å; L246-L250 HydrophobicContact CD1-CD1 4Å; L246-L250 HydrophobicContact CD1-CG 4.28Å; L246-L250 HydrophobicContact CG-CD1 4.12Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 3.41Å
247W98.3Very high97.4Very high51 Ų5144.1 Ų44.119%0.19322%0.221CC..Hα-helixtrans-71.2-31.4-176.6-66.6103.5000112.9D131 M132 Y135 T245 R249 L250 G251D131-W247 VanDerWaalsContact OD2-CD1 3.24Å; M132-W247 VanDerWaalsContact CA-NE1 3.32Å; M132-W247 HydrophobicContact CB-CD2 4.19Å; M132-W247 HydrophobicContact CB-CH2 4.18Å; M132-W247 HydrophobicContact CB-CZ2 3.4Å; M132-W247 HydrophobicContact CG-CD2 4.05Å; M132-W247 HydrophobicContact CG-CE3 4.24Å; M132-W247 HydrophobicContact CG-CH2 3.47Å; M132-W247 VanDerWaalsContact CG-CH2 3.47Å; M132-W247 HydrophobicContact CG-CZ2 3.23Å; M132-W247 HydrophobicContact CG-CZ3 3.97Å; M132-W247 HydrophobicContact SD-CH2 3.49Å; M132-W247 WeakPolarHBondContact SD-CH2 3.42Å; M132-W247 HydrophobicContact SD-CZ2 3.57Å; M132-W247 VanDerWaalsContact SD-CZ2 3.57Å; M132-W247 HydrophobicContact SD-CZ3 4.34Å; Y135-W247 HydrophobicContact CD1-CB 3.58Å; Y135-W247 HydrophobicContact CD1-CG 4.26Å; Y135-W247 HydrophobicContact CD2-CB 3.63Å; Y135-W247 HydrophobicContact CE1-CB 4.02Å; Y135-W247 HydrophobicContact CE2-CB 4.09Å; Y135-W247 HydrophobicContact CG-CB 3.36Å; Y135-W247 HydrophobicContact CG-CG 4.19Å; Y135-W247 VanDerWaalsContact CZ-O 3.32Å; Y135-W247 PolarHBondContact OH-O 3.26Å; T245-W247 PolarHBondContact O-N 3.49Å; W247-R249 VanDerWaalsContact C-N 3.32Å; W247-R249 PolarHBondContact O-N 3.44Å; W247-L250 HydrophobicContact CE3-CD1 4.12Å; W247-L250 HydrophobicContact CZ3-CD1 4.21Å; W247-L250 PolarHBondContact O-N 3.4Å; W247-G251 PolarHBondContact O-N 3.32Å
248D98.4Very high97.5Very high0 Ų040.1 Ų40.10%020%0.201CC..Hα-helixtrans-63-39.1170.9-78.1-63.4000112.4N224 N239 Y240 G241 T245 L246 G252 S253 Y254N224-D248 PolarHBondContact ND2-OD2 3.28Å; N239-D248 VanDerWaalsContact CA-CG 3.45Å; N239-D248 VanDerWaalsContact CA-OD1 3.22Å; N239-D248 WeakPolarHBondContact CA-OD1 3.17Å; N239-D248 WeakPolarHBondContact CA-OD2 3.21Å; N239-D248 PolarHBondContact N-OD1 2.91Å; Y240-D248 PolarHBondContact N-OD1 3.2Å; Y240-D248 PolarHBondContact N-OD2 2.87Å; G241-D248 WeakPolarHBondContact CA-OD2 3.36Å; G241-D248 PolarHBondContact N-OD2 3.5Å; T245-D248 PolarHBondContact O-N 3.33Å; L246-D248 VanDerWaalsContact C-N 3.34Å; L246-D248 PolarHBondContact O-N 3.01Å; D248-G252 CarbonylContact O-C 3.52Å; D248-G252 PolarHBondContact O-N 3.04Å; D248-S253 WeakPolarHBondContact CA-OG 3.31Å; D248-S253 PolarHBondContact O-N 3.36Å; D248-S253 PolarHBondContact OD1-OG 2.98Å; D248-Y254 PolarHBondContact O-N 2.84Å
249R98.3Very high97.3Very high119 Ų11937.2 Ų37.245%0.44919%0.193SC..Hα-helixtrans-68.2-46.8175.3-70172.6-175.7-72.91.8111.2G221 T245 L246 W247 G251 G252 Y254G221-R249 PolarHBondContact O-NE 2.99Å; G221-R249 PolarHBondContact O-NH2 3.08Å; T245-R249 VanDerWaalsContact O-CG 3.29Å; T245-R249 WeakPolarHBondContact O-CG 3.48Å; T245-R249 PolarHBondContact O-N 3.05Å; T245-R249 PolarHBondContact OG1-NE 3.41Å; L246-R249 WeakPolarHBondContact O-CB 3.37Å; L246-R249 PolarHBondContact O-N 2.81Å; W247-R249 VanDerWaalsContact C-N 3.32Å; W247-R249 PolarHBondContact O-N 3.44Å; R249-G251 VanDerWaalsContact C-N 3.34Å; R249-G251 PolarHBondContact O-N 2.68Å; R249-G252 PolarHBondContact O-N 3.37Å; R249-Y254 HydrophobicContact CG-CD1 4.4Å; R249-Y254 HydrophobicContact CG-CD2 4.1Å; R249-Y254 HydrophobicContact CG-CG 3.82Å; R249-Y254 PolarHBondContact NH2-OH 3Å
250L98.2Very high97.1Very high119 Ų11940.7 Ų40.762%0.62321%0.212SC*.Hα-helixtrans-64.6-38.6179.5-69.3175.9000112.2L246 W247L246-L250 HydrophobicContact CD1-CD1 4Å; L246-L250 HydrophobicContact CD1-CG 4.28Å; L246-L250 HydrophobicContact CG-CD1 4.12Å; L246-L250 WeakPolarHBondContact O-CG 3.4Å; L246-L250 PolarHBondContact O-N 3.41Å; W247-L250 HydrophobicContact CE3-CD1 4.12Å; W247-L250 HydrophobicContact CZ3-CD1 4.21Å; W247-L250 PolarHBondContact O-N 3.4Å
251G97.3Very high96.9Very high21 Ų2144.9 Ų44.922%0.21623%0.233CC..THydrogen-bonded Turntrans-92.75.5179.900000115.2Y135 R139 W247 R249 S253Y135-G251 WeakPolarHBondContact OH-CA 3.43Å; R139-G251 PolarHBondContact NH1-O 3.45Å; R139-G251 PolarHBondContact NH2-O 3.17Å; W247-G251 PolarHBondContact O-N 3.32Å; R249-G251 VanDerWaalsContact C-N 3.34Å; R249-G251 PolarHBondContact O-N 2.68Å; G251-S253 PolarHBondContact O-N 2.81Å
252G97.8Very high96.6Very high67 Ų6747 Ų4769%0.69126%0.255SS*.THydrogen-bonded Turntrans71.223.2173.700000115.3D248 R249D248-G252 CarbonylContact O-C 3.52Å; D248-G252 PolarHBondContact O-N 3.04Å; R249-G252 PolarHBondContact O-N 3.37Å
253S98.1Very high96.5Very high4 Ų454 Ų543%0.02829%0.286CS..  trans-107.13.9175.852.60000113.4Y135 Y238 N239 Y240 D248 G251 R255Y135-S253 PolarHBondContact OH-OG 3.46Å; Y238-S253 CarbonylContact C-O 3.52Å; Y238-S253 WeakPolarHBondContact CA-O 3.42Å; Y238-S253 WeakPolarHBondContact CB-O 3.49Å; N239-S253 PolarHBondContact N-O 3.47Å; Y240-S253 WeakPolarHBondContact CD2-OG 3.36Å; D248-S253 WeakPolarHBondContact CA-OG 3.31Å; D248-S253 PolarHBondContact O-N 3.36Å; D248-S253 PolarHBondContact OD1-OG 2.98Å; G251-S253 PolarHBondContact O-N 2.81Å; S253-R255 PolarHBondContact O-N 3.38Å
254Y98.1Very high96.2Very high60 Ų6054.2 Ų54.224%0.23529%0.288CS..  trans-66.7128.7177176.2-98.2000111.9H228 T245 D248 R249H228-Y254 AromaticContact NE2-CE2 3.95Å; T245-Y254 HydrophobicContact CG2-CD2 4.13Å; T245-Y254 HydrophobicContact CG2-CE2 3.8Å; D248-Y254 PolarHBondContact O-N 2.84Å; R249-Y254 HydrophobicContact CG-CD1 4.4Å; R249-Y254 HydrophobicContact CG-CD2 4.1Å; R249-Y254 HydrophobicContact CG-CG 3.82Å; R249-Y254 PolarHBondContact NH2-OH 3Å
255R95.9Very high96.1Very high85 Ų8552.5 Ų52.532%0.32128%0.281SS..  trans-132.1127.8170.9-178.2-178.7-179.6112-0.9109.8D231 Y238 N239 S253D231-R255 IonicContact OD2-NE 3.42Å; Y238-R255 HydrophobicContact CD1-CB 3.81Å; Y238-R255 HydrophobicContact CD2-CB 4.42Å; Y238-R255 HydrophobicContact CG-CB 3.71Å; Y238-R255 HydrophobicContact CG-CG 4.37Å; N239-R255 PolarHBondContact ND2-O 3.47Å; N239-R255 PolarHBondContact OD1-N 3.35Å; N239-R255 PolarHBondContact OD1-O 3.33Å; S253-R255 PolarHBondContact O-N 3.38Å
256H95.7Very high95.9Very high84 Ų8453.3 Ų53.339%0.38929%0.285SS..  trans-62.2127.8173.1-171.6-72000110.2S258H256-S258 PolarHBondContact O-N 3.36Å
257P95.6Very high95.8Very high1 Ų153.8 Ų53.81%0.00629%0.286CS..  trans-58.9135.1-173.7-27.735.3000114.1A227 H228 D231 A259 L260A227-P257 HydrophobicContact CB-CB 3.61Å; A227-P257 HydrophobicContact CB-CG 3.93Å; H228-P257 HydrophobicContact CB-CG 4.18Å; H228-P257 WeakPolarHBondContact CD2-CG 3.26Å; H228-P257 VanDerWaalsContact CG-CG 3.42Å; H228-P257 WeakPolarHBondContact NE2-CD 3.34Å; H228-P257 WeakPolarHBondContact NE2-CG 3.47Å; D231-P257 WeakPolarHBondContact OD2-CA 3.31Å; P257-A259 VanDerWaalsContact C-N 3.29Å; P257-A259 PolarHBondContact O-N 3.33Å; P257-L260 HydrophobicContact CB-CB 4.44Å; P257-L260 HydrophobicContact CB-CD1 4.17Å; P257-L260 HydrophobicContact CB-CG 4.05Å; P257-L260 HydrophobicContact CG-CD1 4Å; P257-L260 HydrophobicContact CG-CG 4.42Å; P257-L260 PolarHBondContact O-N 3.36Å
258S95.4Very high95.6Very high8 Ų854.9 Ų54.96%0.05630%0.295CS..SBendtrans-61.3-37.2175.771.20000112.4D231 H256 L260 M261 G262 K263D231-S258 WeakPolarHBondContact OD1-CB 3.47Å; D231-S258 PolarHBondContact OD1-N 2.89Å; D231-S258 PolarHBondContact OD1-OG 3.31Å; D231-S258 PolarHBondContact OD2-N 2.95Å; H256-S258 PolarHBondContact O-N 3.36Å; S258-L260 VanDerWaalsContact C-N 3.32Å; S258-L260 PolarHBondContact O-N 2.93Å; S258-M261 CarbonylContact O-C 3.55Å; S258-M261 WeakPolarHBondContact O-CA 3.13Å; S258-M261 PolarHBondContact O-N 3.14Å; S258-G262 PolarHBondContact O-N 3Å; S258-K263 CarbonylContact O-C 3.54Å; S258-K263 WeakPolarHBondContact O-CA 3.31Å; S258-K263 PolarHBondContact O-N 3.02Å
259A93.7Very high95.4Very high19 Ų1955 Ų5516%0.15730%0.295CS..G310 helixtrans-60.7-39.1178.800000113.2Y213 A227 P257 M261 G262Y213-A259 HydrophobicContact CD1-CB 4.49Å; Y213-A259 HydrophobicContact CD2-CB 3.4Å; Y213-A259 HydrophobicContact CE1-CB 4.49Å; Y213-A259 HydrophobicContact CE2-CB 3.39Å; Y213-A259 HydrophobicContact CG-CB 3.98Å; A227-A259 HydrophobicContact CB-CB 4.33Å; P257-A259 VanDerWaalsContact C-N 3.29Å; P257-A259 PolarHBondContact O-N 3.33Å; A259-M261 PolarHBondContact O-N 2.75Å; A259-G262 PolarHBondContact O-N 2.87Å; A259-G262 VanDerWaalsContact O-N 3.1Å
260L92.9Very high95.3Very high74 Ų7455.8 Ų55.839%0.38730%0.298SS..G310 helixtrans-72.7-12177.5-60.8-177.7000112.9A227 P257 S258A227-L260 HydrophobicContact CB-CD2 4.49Å; A227-L260 HydrophobicContact CB-CG 4.19Å; P257-L260 HydrophobicContact CB-CB 4.44Å; P257-L260 HydrophobicContact CB-CD1 4.17Å; P257-L260 HydrophobicContact CB-CG 4.05Å; P257-L260 HydrophobicContact CG-CD1 4Å; P257-L260 HydrophobicContact CG-CG 4.42Å; P257-L260 PolarHBondContact O-N 3.36Å; S258-L260 VanDerWaalsContact C-N 3.32Å; S258-L260 PolarHBondContact O-N 2.93Å
261M93.6Very high95.1Very high100 Ų10055.8 Ų55.849%0.49329%0.293SS..G310 helixtrans-100.310.5172.8-59.4-175.4-7200112.6S258 A259 K263S258-M261 CarbonylContact O-C 3.55Å; S258-M261 WeakPolarHBondContact O-CA 3.13Å; S258-M261 PolarHBondContact O-N 3.14Å; A259-M261 PolarHBondContact O-N 2.75Å; M261-K263 VanDerWaalsContact C-N 3.32Å; M261-K263 PolarHBondContact O-N 2.89Å
262G92.6Very high95Very high47 Ų4756.2 Ų56.249%0.48529%0.29SS..THydrogen-bonded Turntrans68.828.5-175.500000113.5S258 A259 E267S258-G262 PolarHBondContact O-N 3Å; A259-G262 PolarHBondContact O-N 2.87Å; A259-G262 VanDerWaalsContact O-N 3.1Å; G262-E267 WeakPolarHBondContact O-CG 3.47Å
263K92.9Very high94.8Very high160 Ų16058.2 Ų58.270%0.69628%0.282SS*.  trans-125.318-179.5-65.2178.7-177.9176.10113.2S258 M261S258-K263 CarbonylContact O-C 3.54Å; S258-K263 WeakPolarHBondContact O-CA 3.31Å; S258-K263 PolarHBondContact O-N 3.02Å; M261-K263 VanDerWaalsContact C-N 3.32Å; M261-K263 PolarHBondContact O-N 2.89Å
264G93.5Very high94.5Very high7 Ų762.5 Ų62.57%0.07232%0.317CS..SBendtrans-80.5175.3-179.500000113.6M266 E267 L268G264-M266 VanDerWaalsContact C-N 3.3Å; G264-M266 PolarHBondContact O-N 3.29Å; G264-E267 WeakPolarHBondContact O-CB 3.26Å; G264-E267 PolarHBondContact O-N 2.86Å; G264-L268 PolarHBondContact O-N 2.72Å
265P95.7Very high94.4Very high4 Ų463.7 Ų63.73%0.02633%0.325CS..Hα-helixtrans-54-40.2-178.3-31.238.2000115L62 I159 T230 L234 E267 L268 V269L62-P265 HydrophobicContact CD2-CB 3.82Å; I159-P265 HydrophobicContact CD1-CB 3.71Å; I159-P265 HydrophobicContact CD1-CG 3.7Å; T230-P265 HydrophobicContact CG2-CG 3.69Å; L234-P265 HydrophobicContact CD1-CG 3.89Å; P265-E267 PolarHBondContact O-N 3.4Å; P265-L268 PolarHBondContact O-N 3.16Å; P265-V269 PolarHBondContact O-N 2.89Å; P265-V269 VanDerWaalsContact O-N 3.09Å
266M94.6Very high94.1Very high20 Ų2062.1 Ų62.110%0.09934%0.335CS..Hα-helixtrans-62.2-32.2178.5-83.8-50.3-62.400113.2D59 N61 L62 G264 V269 R270D59-M266 WeakPolarHBondContact OD2-CE 3.3Å; N61-M266 HydrophobicContact CB-CE 3.66Å; N61-M266 HydrophobicContact CB-SD 4.18Å; L62-M266 HydrophobicContact CB-SD 4.23Å; L62-M266 HydrophobicContact CD2-CG 3.53Å; L62-M266 HydrophobicContact CD2-SD 3.45Å; L62-M266 WeakPolarHBondContact CD2-SD 3.49Å; L62-M266 HydrophobicContact CG-CG 3.88Å; L62-M266 HydrophobicContact CG-SD 3.44Å; L62-M266 WeakPolarHBondContact CG-SD 3.31Å; G264-M266 VanDerWaalsContact C-N 3.3Å; G264-M266 PolarHBondContact O-N 3.29Å; M266-V269 PolarHBondContact O-N 3Å; M266-R270 WeakPolarHBondContact O-CG 3.39Å; M266-R270 PolarHBondContact O-N 3.3Å
267E94.8Very high93.8Very high80 Ų8062.9 Ų62.937%0.37434%0.337SS..Hα-helixtrans-70.8-37.7178-168.158.2-153.300111.4G262 G264 P265 V269 R270 K271G262-E267 WeakPolarHBondContact O-CG 3.47Å; G264-E267 WeakPolarHBondContact O-CB 3.26Å; G264-E267 PolarHBondContact O-N 2.86Å; P265-E267 PolarHBondContact O-N 3.4Å; E267-V269 VanDerWaalsContact C-N 3.34Å; E267-V269 PolarHBondContact O-N 3.46Å; E267-R270 PolarHBondContact O-N 3.04Å; E267-R270 IonicContact OE2-NH1 3.63Å; E267-R270 PolarHBondContact OE2-NH1 3.12Å; E267-K271 WeakPolarHBondContact O-CB 3.44Å; E267-K271 PolarHBondContact O-N 3.45Å
268L94.8Very high93.1Very high74 Ų7465.6 Ų65.639%0.38735%0.351SS..Hα-helixtrans-63.4-41.2173.6-177.658.3000111.6G264 P265 K271 L272G264-L268 PolarHBondContact O-N 2.72Å; P265-L268 PolarHBondContact O-N 3.16Å; L268-K271 PolarHBondContact O-N 3.3Å; L268-L272 HydrophobicContact CD1-CD1 4.13Å; L268-L272 HydrophobicContact CD1-CG 4.05Å; L268-L272 HydrophobicContact CG-CD1 4.02Å; L268-L272 HydrophobicContact CG-CG 4.38Å; L268-L272 WeakPolarHBondContact O-CB 3.35Å; L268-L272 WeakPolarHBondContact O-CG 3.28Å; L268-L272 PolarHBondContact O-N 2.83Å
269V94.9Very high91.7Very high1 Ų169 Ų691%0.00639%0.387CS..Hα-helixtrans-58.3-49.7175172.10000110.8K64 H65 P265 M266 E267 K271 L272 Q273 L278K64-V269 HydrophobicContact CB-CG1 4.07Å; K64-V269 HydrophobicContact CD-CG1 4.46Å; H65-V269 HydrophobicContact CB-CG2 3.81Å; P265-V269 PolarHBondContact O-N 2.89Å; P265-V269 VanDerWaalsContact O-N 3.09Å; M266-V269 PolarHBondContact O-N 3Å; E267-V269 VanDerWaalsContact C-N 3.34Å; E267-V269 PolarHBondContact O-N 3.46Å; V269-K271 PolarHBondContact O-N 3.36Å; V269-L272 PolarHBondContact O-N 2.71Å; V269-Q273 WeakPolarHBondContact O-CB 3.31Å; V269-Q273 PolarHBondContact O-N 3.42Å; V269-L278 HydrophobicContact CG1-CD1 4.2Å
270R94.6Very high90.1Very high137 Ų13775.2 Ų75.252%0.51741%0.411SS..Hα-helixtrans-59.7-45178.8-70.5174.4-166144.3-0.1112M266 E267 Q273 A274M266-R270 WeakPolarHBondContact O-CG 3.39Å; M266-R270 PolarHBondContact O-N 3.3Å; E267-R270 PolarHBondContact O-N 3.04Å; E267-R270 IonicContact OE2-NH1 3.63Å; E267-R270 PolarHBondContact OE2-NH1 3.12Å; R270-Q273 PolarHBondContact O-N 3.49Å; R270-A274 WeakPolarHBondContact O-CB 3.22Å; R270-A274 PolarHBondContact O-N 3.28Å
271K94.8Very high88Confident118 Ų11880.8 Ų80.851%0.51343%0.427SS..Hα-helixtrans-59.6-50.6177-178.5180175.3-179.10111.9E267 L268 V269 Q273 A274 E275E267-K271 WeakPolarHBondContact O-CB 3.44Å; E267-K271 PolarHBondContact O-N 3.45Å; L268-K271 PolarHBondContact O-N 3.3Å; V269-K271 PolarHBondContact O-N 3.36Å; K271-Q273 VanDerWaalsContact C-N 3.28Å; K271-Q273 PolarHBondContact O-N 2.95Å; K271-A274 PolarHBondContact O-N 3.16Å; K271-E275 WeakPolarHBondContact CE-OE1 3.46Å; K271-E275 WeakPolarHBondContact CG-OE1 3.46Å; K271-E275 WeakPolarHBondContact O-CG 3.27Å; K271-E275 PolarHBondContact O-N 3.37Å
272L94.5Very high85.6Confident31 Ų3184 Ų8416%0.16244%0.441CS..Hα-helixtrans-64.2-34.4179.7-70.1174.4000112.5P66 L268 V269 G276 K277 L278P66-L272 HydrophobicContact CG-CD1 3.52Å; L268-L272 HydrophobicContact CD1-CD1 4.13Å; L268-L272 HydrophobicContact CD1-CG 4.05Å; L268-L272 HydrophobicContact CG-CD1 4.02Å; L268-L272 HydrophobicContact CG-CG 4.38Å; L268-L272 WeakPolarHBondContact O-CB 3.35Å; L268-L272 WeakPolarHBondContact O-CG 3.28Å; L268-L272 PolarHBondContact O-N 2.83Å; V269-L272 PolarHBondContact O-N 2.71Å; L272-G276 PolarHBondContact O-N 3.17Å; L272-K277 HydrophobicContact CD2-CB 4.05Å; L272-K277 PolarHBondContact O-N 3.24Å; L272-L278 HydrophobicContact CB-CD1 4.06Å; L272-L278 PolarHBondContact O-N 3.4Å
273Q93.4Very high83Confident108 Ų10888.1 Ų88.151%0.50546%0.456SS..Hα-helixtrans-66.2-46.7174.1-174172.4-21.800111.5V269 R270 K271 E275 G276 L278V269-Q273 WeakPolarHBondContact O-CB 3.31Å; V269-Q273 PolarHBondContact O-N 3.42Å; R270-Q273 PolarHBondContact O-N 3.49Å; K271-Q273 VanDerWaalsContact C-N 3.28Å; K271-Q273 PolarHBondContact O-N 2.95Å; Q273-E275 VanDerWaalsContact C-N 3.28Å; Q273-E275 PolarHBondContact O-N 3.49Å; Q273-G276 PolarHBondContact O-N 3.1Å; Q273-G276 VanDerWaalsContact O-N 3.11Å; Q273-L278 HydrophobicContact CB-CD1 4.29Å
274A93.6Very high80.2Confident94 Ų9487.3 Ų87.378%0.77746%0.459SS*.Hα-helixtrans-62.3-34.5176.900000112.6R270 K271 G276R270-A274 WeakPolarHBondContact O-CB 3.22Å; R270-A274 PolarHBondContact O-N 3.28Å; K271-A274 PolarHBondContact O-N 3.16Å; A274-G276 VanDerWaalsContact C-N 3.3Å; A274-G276 PolarHBondContact O-N 3.48Å
275E94.6Very high77.6Confident86 Ų8690.1 Ų90.140%0.40249%0.488SS..THydrogen-bonded Turntrans-80.7-2.4176.7-68.2179.2-165.400114K271 Q273 K277K271-E275 WeakPolarHBondContact CE-OE1 3.46Å; K271-E275 WeakPolarHBondContact CG-OE1 3.46Å; K271-E275 WeakPolarHBondContact O-CG 3.27Å; K271-E275 PolarHBondContact O-N 3.37Å; Q273-E275 VanDerWaalsContact C-N 3.28Å; Q273-E275 PolarHBondContact O-N 3.49Å; E275-K277 HydrophobicContact CB-CB 4.48Å; E275-K277 HydrophobicContact CB-CD 4.11Å; E275-K277 HydrophobicContact CB-CG 4.05Å; E275-K277 PolarHBondContact O-N 2.84Å; E275-K277 WeakPolarHBondContact OE2-CD 3.28Å; E275-K277 VanDerWaalsContact OE2-CE 3.29Å; E275-K277 WeakPolarHBondContact OE2-CE 3.46Å; E275-K277 IonicContact OE2-NZ 2.73Å; E275-K277 PolarHBondContact OE2-NZ 3.1Å
276G90.3Very high74.6Confident51 Ų5198.3 Ų98.353%0.52653%0.526SS..THydrogen-bonded Turntrans62.926-175.600000113.7L272 Q273 A274L272-G276 PolarHBondContact O-N 3.17Å; Q273-G276 PolarHBondContact O-N 3.1Å; Q273-G276 VanDerWaalsContact O-N 3.11Å; A274-G276 VanDerWaalsContact C-N 3.3Å; A274-G276 PolarHBondContact O-N 3.48Å
277K88.4Confident71.7Confident100 Ų100102.8 Ų102.844%0.43556%0.559SS.*  trans-103.2-6.3-179-67.4-178.6-171.6162.40113.5L272 E275 G279 K280L272-K277 HydrophobicContact CD2-CB 4.05Å; L272-K277 PolarHBondContact O-N 3.24Å; E275-K277 HydrophobicContact CB-CB 4.48Å; E275-K277 HydrophobicContact CB-CD 4.11Å; E275-K277 HydrophobicContact CB-CG 4.05Å; E275-K277 PolarHBondContact O-N 2.84Å; E275-K277 WeakPolarHBondContact OE2-CD 3.28Å; E275-K277 VanDerWaalsContact OE2-CE 3.29Å; E275-K277 WeakPolarHBondContact OE2-CE 3.46Å; E275-K277 IonicContact OE2-NZ 2.73Å; E275-K277 PolarHBondContact OE2-NZ 3.1Å; K277-G279 PolarHBondContact O-N 2.98Å; K277-K280 PolarHBondContact O-N 3.47Å
278L82.2Confident68.7Low58 Ų58107.1 Ų107.130%0.30458%0.579SS.*THydrogen-bonded Turntrans-58.7128.9176.8-153.894.9000110.6K64 V269 L272 Q273 K280K64-L278 HydrophobicContact CB-CD1 4.07Å; K64-L278 HydrophobicContact CB-CD2 3.93Å; K64-L278 HydrophobicContact CB-CG 4.31Å; K64-L278 HydrophobicContact CD-CD2 3.83Å; K64-L278 HydrophobicContact CG-CD2 4.02Å; V269-L278 HydrophobicContact CG1-CD1 4.2Å; L272-L278 HydrophobicContact CB-CD1 4.06Å; L272-L278 PolarHBondContact O-N 3.4Å; Q273-L278 HydrophobicContact CB-CD1 4.29Å; L278-K280 VanDerWaalsContact C-N 3.31Å; L278-K280 PolarHBondContact O-N 3.5Å
279G66.3Low66.1Low79 Ų79114.3 Ų114.381%0.81460%0.601SS**THydrogen-bonded Turntrans83.1-6.2-179.100000115.8K277 R281K277-G279 PolarHBondContact O-N 2.98Å; G279-R281 VanDerWaalsContact C-N 3.34Å; G279-R281 PolarHBondContact O-N 3.29Å
280K58.7Low63.3Low150 Ų150123.3 Ų123.365%0.65264%0.641SS**  trans-77.187.7165.5-63.7-175.9-176.41760107.8K277 L278 E282K277-K280 PolarHBondContact O-N 3.47Å; L278-K280 VanDerWaalsContact C-N 3.31Å; L278-K280 PolarHBondContact O-N 3.5Å; K280-E282 PolarHBondContact O-N 3.13Å
281R49.9Very low60.5Low191 Ų191125 Ų12572%0.72165%0.654SS**  trans-58.2104.1164.5-86-177176.3168.91.4106.1E70 G279 V283E70-R281 IonicContact OE2-NH2 3.64Å; G279-R281 VanDerWaalsContact C-N 3.34Å; G279-R281 PolarHBondContact O-N 3.29Å; R281-V283 VanDerWaalsContact C-N 3.31Å; R281-V283 PolarHBondContact O-N 3.02Å
282E42.4Very low57.8Low168 Ų168132.4 Ų132.479%0.78569%0.691SS**  trans-62.2101.2166.3-80.3-171.2170.500107K280 N284K280-E282 PolarHBondContact O-N 3.13Å; E282-N284 PolarHBondContact O-N 3.37Å
283V37.8Very low55.9Low133 Ų133137.5 Ų137.581%0.80672%0.717SS**  trans-71.777.9166.6-177.10000106.4R281R281-V283 VanDerWaalsContact C-N 3.31Å; R281-V283 PolarHBondContact O-N 3.02Å
284N34.7Very low54Low143 Ų143139 Ų13977%0.76573%0.728SS**  trans-119.370166.3-85.8-22.4000109E282 H286E282-N284 PolarHBondContact O-N 3.37Å; N284-H286 PolarHBondContact O-N 3.16Å
285G39.8Very low51.8Low66 Ų66141.5 Ų141.568%0.6873%0.725SS**  trans-75.295.915800000109.4
286H30.9Very low49.3Very low177 Ų177144.8 Ų144.882%0.81974%0.744SS**  trans-151.191.7149.3-11553.3000108.7N284 Q288N284-H286 PolarHBondContact O-N 3.16Å; H286-Q288 PolarHBondContact O-N 2.93Å; H286-Q288 VanDerWaalsContact O-N 3.17Å
287S35.4Very low46.7Very low113 Ų113150.6 Ų150.679%0.7976%0.758SS**  trans-68.1106.2158.855.40000107.6R289S287-R289 PolarHBondContact O-N 2.65Å; S287-R289 VanDerWaalsContact O-N 3.1Å
288Q32Very low43.9Very low171 Ų171154 Ų15480%0.79978%0.78SS**  trans-67.3104.5153.3-76.4-174.1-12.700106.6H286 K290H286-Q288 PolarHBondContact O-N 2.93Å; H286-Q288 VanDerWaalsContact O-N 3.17Å; Q288-K290 PolarHBondContact O-N 2.99Å
289R39.3Very low41.2Very low225 Ų225160.9 Ų160.985%0.84981%0.814SS**  trans-54.9117.3153.3-79.2-178.5-179.7-166.90.3106.4S287S287-R289 PolarHBondContact O-N 2.65Å; S287-R289 VanDerWaalsContact O-N 3.1Å
290K35.4Very low39.2Very low191 Ų191167.2 Ų167.283%0.8381%0.814SS**  trans-95.3108.3151.1-81.4-169.7172-170.70106.6Q288Q288-K290 PolarHBondContact O-N 2.99Å
291E35.7Very low37.6Very low172 Ų172168.6 Ų168.680%0.80483%0.827SS**  trans-58.8125.8149.7-69.4169.716300107.4
292E38.1Very low36.5Very low273 Ų273166.5 Ų166.5100%1.27684%0.837SS**  trans-174.30141.3-100.3172.2-162.700108.6

Retrieved 292 of 292 residues in 79.5 ms (Link to these results)

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