A0A077YZF3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZF3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 372 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
1M58.9Low64.9Low212 Ų212124 Ų124100%1.04463%0.633SS**  0-19.20-78.7-179.7176.600114.5V3M1-V3 PolarHBondContact O-N 2.92Å
2H58.8Low63.9Low160 Ų160116.8 Ų116.874%0.74161%0.612SS**Hα-helixtrans-70.9-25.8-174.2-57.2-55.1000116.1R4 L5 A6H2-R4 VanDerWaalsContact C-N 3.35Å; H2-R4 PolarHBondContact O-N 3.09Å; H2-L5 PolarHBondContact O-N 3.4Å; H2-A6 PolarHBondContact O-N 3.06Å; H2-A6 VanDerWaalsContact O-N 3.15Å
3V63.7Low63.5Low118 Ų118113.5 Ų113.572%0.71560%0.595SS**Hα-helixtrans-65.9-36.3179.7-176.60000112.1M1 L5 A6 V7M1-V3 PolarHBondContact O-N 2.92Å; V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.5Å; V3-A6 PolarHBondContact O-N 3.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.29Å; V3-V7 PolarHBondContact O-N 3.35Å; V3-V7 VanDerWaalsContact O-N 3.13Å
4R64Low63Low221 Ų221111.1 Ų111.183%0.83459%0.586SS**Hα-helixtrans-69.1-33.3177.8-70.3-170.2177.1176.6-0.6112.5H2 A8H2-R4 VanDerWaalsContact C-N 3.35Å; H2-R4 PolarHBondContact O-N 3.09Å; R4-A8 WeakPolarHBondContact O-CB 3.46Å; R4-A8 PolarHBondContact O-N 3.47Å
5L64.5Low62.1Low114 Ų114110.5 Ų110.560%0.59758%0.583SS**Hα-helixtrans-67-44174.8-107150.6000111.3H2 V3 V7 A8 V9H2-L5 PolarHBondContact O-N 3.4Å; V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.5Å; L5-V7 VanDerWaalsContact C-N 3.35Å; L5-V7 PolarHBondContact O-N 2.68Å; L5-A8 PolarHBondContact O-N 3.03Å; L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.32Å; L5-V9 PolarHBondContact O-N 3.02Å
6A64Low61Low54 Ų54107.5 Ų107.545%0.44658%0.579SS.*Hα-helixtrans-62.4-40.9176.800000112.4H2 V3 V9 W10H2-A6 PolarHBondContact O-N 3.06Å; H2-A6 VanDerWaalsContact O-N 3.15Å; V3-A6 PolarHBondContact O-N 3.49Å; A6-V9 PolarHBondContact O-N 3.28Å; A6-W10 PolarHBondContact O-N 3.09Å
7V69.5Low60.1Low76 Ų76111.2 Ų111.246%0.46159%0.589SS.*Hα-helixtrans-67.5-41.3176.8174.70000111.4V3 L5 V9 W10 I11V3-V7 WeakPolarHBondContact O-CG2 3.29Å; V3-V7 PolarHBondContact O-N 3.35Å; V3-V7 VanDerWaalsContact O-N 3.13Å; L5-V7 VanDerWaalsContact C-N 3.35Å; L5-V7 PolarHBondContact O-N 2.68Å; V7-V9 PolarHBondContact O-N 2.69Å; V7-W10 PolarHBondContact O-N 3.2Å; V7-I11 HydrophobicContact CG1-CD1 3.72Å; V7-I11 HydrophobicContact CG1-CG1 4.31Å; V7-I11 WeakPolarHBondContact O-CB 3.35Å; V7-I11 VanDerWaalsContact O-CG1 3.29Å; V7-I11 WeakPolarHBondContact O-CG1 3.47Å; V7-I11 PolarHBondContact O-N 3.34Å
8A65.9Low59.2Low60 Ų60109.4 Ų109.450%0.49659%0.592SS.*Hα-helixtrans-64.6-39.4176.800000112.3R4 L5 I11 G12R4-A8 WeakPolarHBondContact O-CB 3.46Å; R4-A8 PolarHBondContact O-N 3.47Å; L5-A8 PolarHBondContact O-N 3.03Å; A8-I11 PolarHBondContact O-N 3.06Å; A8-G12 PolarHBondContact O-N 3.03Å
9V67.2Low58.1Low81 Ų81107.3 Ų107.349%0.49159%0.591SS.*Hα-helixtrans-64.7-42.5174.11720000110.6L5 A6 V7 G12 I13L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.32Å; L5-V9 PolarHBondContact O-N 3.02Å; A6-V9 PolarHBondContact O-N 3.28Å; V7-V9 PolarHBondContact O-N 2.69Å; V9-G12 PolarHBondContact O-N 3.47Å; V9-I13 HydrophobicContact CG1-CD1 3.76Å; V9-I13 HydrophobicContact CG1-CG1 4.42Å; V9-I13 WeakPolarHBondContact O-CB 3.47Å; V9-I13 WeakPolarHBondContact O-CG1 3.28Å; V9-I13 PolarHBondContact O-N 3.09Å
10W68Low56.9Low176 Ų176106.7 Ų106.767%0.66759%0.594SS**Hα-helixtrans-63.9-44.7175.5-104.194.4000112.9A6 V7 G12 I13 V14A6-W10 PolarHBondContact O-N 3.09Å; V7-W10 PolarHBondContact O-N 3.2Å; W10-G12 VanDerWaalsContact C-N 3.31Å; W10-G12 PolarHBondContact O-N 3.34Å; W10-I13 PolarHBondContact O-N 3.13Å; W10-V14 HydrophobicContact CE3-CG2 3.94Å; W10-V14 HydrophobicContact CZ3-CG2 4.29Å; W10-V14 WeakPolarHBondContact O-CB 3.35Å; W10-V14 VanDerWaalsContact O-CG2 3.24Å; W10-V14 WeakPolarHBondContact O-CG2 3.44Å; W10-V14 PolarHBondContact O-N 3.07Å
11I69.5Low56.1Low92 Ų92106.3 Ų106.347%0.47259%0.586SS.*Hα-helixtrans-63.4-40.6175.1-67.6168.5000110V7 A8 V14 L15V7-I11 HydrophobicContact CG1-CD1 3.72Å; V7-I11 HydrophobicContact CG1-CG1 4.31Å; V7-I11 WeakPolarHBondContact O-CB 3.35Å; V7-I11 VanDerWaalsContact O-CG1 3.29Å; V7-I11 WeakPolarHBondContact O-CG1 3.47Å; V7-I11 PolarHBondContact O-N 3.34Å; A8-I11 PolarHBondContact O-N 3.06Å; I11-V14 PolarHBondContact O-N 3.11Å; I11-L15 HydrophobicContact CG2-CD1 3.64Å; I11-L15 HydrophobicContact CG2-CG 4.1Å; I11-L15 WeakPolarHBondContact O-CB 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.31Å; I11-L15 PolarHBondContact O-N 3.47Å
12G53Low55.4Low37 Ų37101.2 Ų101.238%0.38157%0.567SS.*Hα-helixtrans-62.4-40.5175.100000112.9A8 V9 W10 A16A8-G12 PolarHBondContact O-N 3.03Å; V9-G12 PolarHBondContact O-N 3.47Å; W10-G12 VanDerWaalsContact C-N 3.31Å; W10-G12 PolarHBondContact O-N 3.34Å; G12-A16 WeakPolarHBondContact O-CB 3.41Å; G12-A16 PolarHBondContact O-N 3.06Å
13I58.5Low54.6Low75 Ų75100.5 Ų100.539%0.38556%0.564SS.*Hα-helixtrans-67.1-48174.9-70.4166.2000110.3V9 W10 L15 A16 F17V9-I13 HydrophobicContact CG1-CD1 3.76Å; V9-I13 HydrophobicContact CG1-CG1 4.42Å; V9-I13 WeakPolarHBondContact O-CB 3.47Å; V9-I13 WeakPolarHBondContact O-CG1 3.28Å; V9-I13 PolarHBondContact O-N 3.09Å; W10-I13 PolarHBondContact O-N 3.13Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.97Å; I13-A16 PolarHBondContact O-N 3.33Å; I13-A16 VanDerWaalsContact O-N 3.13Å; I13-F17 HydrophobicContact CG2-CD2 3.61Å; I13-F17 HydrophobicContact CG2-CE2 3.56Å; I13-F17 WeakPolarHBondContact O-CD2 3.46Å; I13-F17 PolarHBondContact O-N 3.46Å
14V56.9Low53.8Low79 Ų7997.6 Ų97.648%0.47954%0.544SS..Hα-helixtrans-62.1-41.3178171.90000110.9W10 I11 F17 A18W10-V14 HydrophobicContact CE3-CG2 3.94Å; W10-V14 HydrophobicContact CZ3-CG2 4.29Å; W10-V14 WeakPolarHBondContact O-CB 3.35Å; W10-V14 VanDerWaalsContact O-CG2 3.24Å; W10-V14 WeakPolarHBondContact O-CG2 3.44Å; W10-V14 PolarHBondContact O-N 3.07Å; I11-V14 PolarHBondContact O-N 3.11Å; V14-F17 PolarHBondContact O-N 3.43Å; V14-A18 WeakPolarHBondContact O-CB 3.28Å; V14-A18 PolarHBondContact O-N 3.48Å
15L49.3Very low52.9Low103 Ų10388 Ų8854%0.53951%0.511SS..Hα-helixtrans-70-33.2173.9-72.1174.1000111.9I11 I13 A18 A19I11-L15 HydrophobicContact CG2-CD1 3.64Å; I11-L15 HydrophobicContact CG2-CG 4.1Å; I11-L15 WeakPolarHBondContact O-CB 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.31Å; I11-L15 PolarHBondContact O-N 3.47Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.97Å; L15-A18 PolarHBondContact O-N 3.41Å; L15-A19 VanDerWaalsContact O-CA 3.3Å; L15-A19 WeakPolarHBondContact O-CA 3.11Å; L15-A19 WeakPolarHBondContact O-CB 3.35Å; L15-A19 PolarHBondContact O-N 3.37Å
16A44.1Very low52.4Low62 Ų6285.7 Ų85.751%0.51250%0.497SS..Hα-helixtrans-69.6-35.4173.700000111.9G12 I13 C20G12-A16 WeakPolarHBondContact O-CB 3.41Å; G12-A16 PolarHBondContact O-N 3.06Å; I13-A16 PolarHBondContact O-N 3.33Å; I13-A16 VanDerWaalsContact O-N 3.13Å; A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.19Å; A16-C20 VanDerWaalsContact O-N 3.11Å
17F45.6Very low51.7Low171 Ų17184.5 Ų84.575%0.7548%0.482SS*.Hα-helixtrans-72.2-35171.6-80.7-70.8000112.4I13 V14I13-F17 HydrophobicContact CG2-CD2 3.61Å; I13-F17 HydrophobicContact CG2-CE2 3.56Å; I13-F17 WeakPolarHBondContact O-CD2 3.46Å; I13-F17 PolarHBondContact O-N 3.46Å; V14-F17 PolarHBondContact O-N 3.43Å
18A44.7Very low50.8Low79 Ų7980.9 Ų80.965%0.65346%0.46SS*.Hα-helixtrans-82.5-33.4179.300000113.4V14 L15 C20V14-A18 WeakPolarHBondContact O-CB 3.28Å; V14-A18 PolarHBondContact O-N 3.48Å; L15-A18 PolarHBondContact O-N 3.41Å; A18-C20 VanDerWaalsContact C-N 3.34Å
19A38.2Very low50.2Low68 Ų6878.7 Ų78.756%0.56244%0.439SS*.SBendtrans-93.19.7176.800000112.5L15 K21L15-A19 VanDerWaalsContact O-CA 3.3Å; L15-A19 WeakPolarHBondContact O-CA 3.11Å; L15-A19 WeakPolarHBondContact O-CB 3.35Å; L15-A19 PolarHBondContact O-N 3.37Å; A19-K21 VanDerWaalsContact O-CG 3.29Å; A19-K21 WeakPolarHBondContact O-CG 3.38Å; A19-K21 PolarHBondContact O-N 3.42Å
20C33.1Very low49.4Very low96 Ų9675.4 Ų75.465%0.64942%0.418SS*.SBendtrans-69.763.2155-121.50000109.6A16 A18A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.19Å; A16-C20 VanDerWaalsContact O-N 3.11Å; A18-C20 VanDerWaalsContact C-N 3.34Å
21K41.1Very low48.5Very low99 Ų9967.7 Ų67.743%0.4339%0.391SS..  trans4491.1141-65.3178.8179-178.60116.1A19 E23 D24A19-K21 VanDerWaalsContact O-CG 3.29Å; A19-K21 WeakPolarHBondContact O-CG 3.38Å; A19-K21 PolarHBondContact O-N 3.42Å; K21-E23 HydrophobicContact CB-CB 4.4Å; K21-E23 PolarHBondContact O-N 3.13Å; K21-D24 HydrophobicContact CB-CB 3.82Å; K21-D24 HydrophobicContact CD-CB 4.18Å; K21-D24 WeakPolarHBondContact CD-OD2 3.42Å; K21-D24 IonicContact NZ-OD2 3.89Å; K21-D24 PolarHBondContact NZ-OD2 2.91Å; K21-D24 VanDerWaalsContact NZ-OD2 3.17Å; K21-D24 PolarHBondContact O-N 3.34Å; K21-D24 VanDerWaalsContact O-N 3.12Å
22T43.4Very low47.2Very low104 Ų10467.9 Ų67.964%0.63839%0.388SS*.THydrogen-bonded Turntrans-44.2-20.3142.730.60000114
23E42.8Very low46.6Very low146 Ų14669.7 Ų69.768%0.68239%0.393SS*.THydrogen-bonded Turntrans-86.8-21.4178.8-64.6-17315800115.1K21K21-E23 HydrophobicContact CB-CB 4.4Å; K21-E23 PolarHBondContact O-N 3.13Å
24D45.7Very low45.6Very low57 Ų5767.7 Ų67.731%0.30539%0.386SS..SBendtrans-100.614.2-178.1-76.3-9.3000111.9K21 L48 R49K21-D24 HydrophobicContact CB-CB 3.82Å; K21-D24 HydrophobicContact CD-CB 4.18Å; K21-D24 WeakPolarHBondContact CD-OD2 3.42Å; K21-D24 IonicContact NZ-OD2 3.89Å; K21-D24 PolarHBondContact NZ-OD2 2.91Å; K21-D24 VanDerWaalsContact NZ-OD2 3.17Å; K21-D24 PolarHBondContact O-N 3.34Å; K21-D24 VanDerWaalsContact O-N 3.12Å; D24-L48 CarbonylContact O-C 3.52Å; D24-L48 WeakPolarHBondContact O-CA 3.41Å; D24-R49 WeakPolarHBondContact O-CB 3.2Å; D24-R49 PolarHBondContact O-N 3.43Å
25C45.9Very low44.7Very low20 Ų2069.8 Ų69.814%0.13540%0.399CS..EExtended strand (participates in β ladder)trans-124123.1-176.6-64.60000111.6K46 L47C25-K46 HydrophobicContact CB-CD 4.27Å; C25-K46 VanDerWaalsContact CB-CE 3.5Å; C25-K46 HydrophobicContact CB-CG 3.74Å; C25-K46 WeakPolarHBondContact SG-CE 3.32Å; C25-L47 CarbonylContact C-O 3.51Å; C25-L47 WeakPolarHBondContact CA-O 3.45Å
26E53.2Low44.1Very low65 Ų6572 Ų7230%0.30441%0.411SS..EExtended strand (participates in β ladder)trans-100.4133.2170.9-68.9-169.5177.900110.4V28 L47 R49 T70E26-V28 HydrophobicContact CB-CG2 4.37Å; E26-V28 PolarHBondContact O-N 3.29Å; E26-L47 PolarHBondContact N-O 2.74Å; E26-L47 PolarHBondContact O-N 2.73Å; E26-R49 HydrophobicContact CG-CG 4.45Å; E26-R49 IonicContact OE1-NE 3.17Å; E26-T70 WeakPolarHBondContact OE2-CG2 3.39Å
27F50Low43.6Very low28 Ų2872.8 Ų72.812%0.12343%0.425CS..EExtended strand (participates in β ladder)trans-84.7113.4174.2-66.4-82.1000108.7L45 K46 D71 C74 R75 C78 H79F27-L45 CarbonylContact C-O 3.58Å; F27-L45 WeakPolarHBondContact CA-O 3.21Å; F27-K46 HydrophobicContact CD1-CB 4.48Å; F27-K46 HydrophobicContact CE1-CB 4.3Å; F27-K46 HydrophobicContact CE1-CD 4.49Å; F27-K46 HydrophobicContact CE1-CG 4.25Å; F27-D71 PolarHBondContact O-N 2.82Å; F27-C74 HydrophobicContact CB-CB 3.91Å; F27-R75 HydrophobicContact CB-CB 4.42Å; F27-R75 VanDerWaalsContact CD1-CA 3.45Å; F27-R75 HydrophobicContact CD1-CB 4.2Å; F27-R75 HydrophobicContact CD2-CB 3.54Å; F27-R75 HydrophobicContact CD2-CG 3.75Å; F27-R75 HydrophobicContact CE1-CB 4.34Å; F27-R75 HydrophobicContact CE1-CG 4.33Å; F27-R75 HydrophobicContact CE2-CB 3.73Å; F27-R75 HydrophobicContact CE2-CG 3.38Å; F27-R75 VanDerWaalsContact CG-CA 3.47Å; F27-R75 HydrophobicContact CG-CB 3.78Å; F27-R75 HydrophobicContact CG-CG 4.36Å; F27-R75 HydrophobicContact CZ-CB 4.11Å; F27-R75 HydrophobicContact CZ-CG 3.68Å; F27-C78 HydrophobicContact CD1-CB 3.73Å; F27-C78 HydrophobicContact CE1-CB 3.63Å; F27-H79 AromaticContact CZ-NE2 3.98Å
28V50.3Low42.9Very low0 Ų066.1 Ų66.10%040%0.404CS..EExtended strand (participates in β ladder)trans-111.1131.2-173.7177.30000109.8E26 C44 L45 L47 V68 T69 T70E26-V28 HydrophobicContact CB-CG2 4.37Å; E26-V28 PolarHBondContact O-N 3.29Å; V28-C44 CarbonylContact O-C 3.51Å; V28-C44 VanDerWaalsContact O-CA 3.31Å; V28-C44 WeakPolarHBondContact O-CA 3.45Å; V28-L45 PolarHBondContact N-O 2.83Å; V28-L45 PolarHBondContact O-N 3.13Å; V28-L47 HydrophobicContact CB-CD1 3.83Å; V28-L47 HydrophobicContact CB-CG 4.33Å; V28-L47 HydrophobicContact CG1-CD1 4.15Å; V28-L47 HydrophobicContact CG2-CB 4.45Å; V28-L47 HydrophobicContact CG2-CD1 3.5Å; V28-L47 HydrophobicContact CG2-CG 4.11Å; V28-V68 HydrophobicContact CG1-CB 4.43Å; V28-V68 HydrophobicContact CG1-CG1 3.13Å; V28-T69 CarbonylContact C-O 3.58Å; V28-T70 HydrophobicContact CG2-CG2 4.43Å
29R53.4Low42.7Very low14 Ų1464.7 Ų64.75%0.05339%0.389CS..EExtended strand (participates in β ladder)trans-100.6120.4176.6178.9172.1170.6174.9-0.1108.7V31 L41 V68 T69 D71 C74R29-V31 HydrophobicContact CG-CG2 3.65Å; R29-L41 HydrophobicContact CG-CD1 3.35Å; R29-V68 WeakPolarHBondContact O-CA 3.4Å; R29-T69 WeakPolarHBondContact CB-O 3.4Å; R29-T69 PolarHBondContact N-O 3.36Å; R29-T69 PolarHBondContact O-N 3.47Å; R29-D71 HydrophobicContact CB-CB 3.67Å; R29-D71 WeakPolarHBondContact CD-OD2 3.33Å; R29-D71 HydrophobicContact CG-CB 4.49Å; R29-D71 IonicContact CZ-OD2 3.81Å; R29-D71 IonicContact NE-OD2 3.85Å; R29-D71 IonicContact NH1-OD2 2.92Å; R29-D71 PolarHBondContact NH1-OD2 2.71Å; R29-C74 VanDerWaalsContact CB-SG 3.55Å
30I51Low42.8Very low13 Ų1363 Ų637%0.06737%0.371CS..EExtended strand (participates in β ladder)trans-96.3116.8170.8-56.5179000107.1V42 R43 L45 A66 A67I30-V42 HydrophobicContact CB-CB 4.18Å; I30-V42 HydrophobicContact CG2-CB 3.86Å; I30-V42 HydrophobicContact CG2-CG1 4.4Å; I30-V42 HydrophobicContact CG2-CG2 4.15Å; I30-V42 PolarHBondContact O-N 2.92Å; I30-R43 HydrophobicContact CB-CB 4.42Å; I30-R43 HydrophobicContact CD1-CB 4.3Å; I30-R43 PolarHBondContact N-O 3.35Å; I30-R43 PolarHBondContact O-N 3.27Å; I30-L45 HydrophobicContact CD1-CD1 3.51Å; I30-L45 HydrophobicContact CD1-CG 4.18Å; I30-L45 HydrophobicContact CG1-CD1 4.4Å; I30-A66 HydrophobicContact CG2-CB 3.98Å; I30-A67 WeakPolarHBondContact CA-O 3.17Å
31V48Very low43.5Very low14 Ų1459.1 Ų59.19%0.08534%0.344CS..EExtended strand (participates in β ladder)trans-112.5125.5178.2-174.90000108.3R29 P39 T40 L41 A66 A67R29-V31 HydrophobicContact CG-CG2 3.65Å; V31-P39 HydrophobicContact CG1-CB 3.19Å; V31-T40 CarbonylContact C-O 3.48Å; V31-T40 WeakPolarHBondContact CA-O 3.2Å; V31-L41 HydrophobicContact CG2-CD1 4.49Å; V31-A66 CarbonylContact O-C 3.48Å; V31-A66 VanDerWaalsContact O-CA 3.22Å; V31-A66 WeakPolarHBondContact O-CA 2.95Å; V31-A67 HydrophobicContact CB-CB 4.41Å; V31-A67 PolarHBondContact N-O 3.4Å; V31-A67 PolarHBondContact O-N 3.39Å
32K43.7Very low43.9Very low95 Ų9557 Ų5741%0.41334%0.339SS..EExtended strand (participates in β ladder)trans-100.8143.4166.2-86172.3-167.3-1770108.8S34 T40 V42 A66K32-S34 PolarHBondContact O-N 3.28Å; K32-T40 PolarHBondContact N-O 2.92Å; K32-T40 WeakPolarHBondContact O-CA 3.29Å; K32-T40 WeakPolarHBondContact O-CB 2.89Å; K32-T40 PolarHBondContact O-N 3.18Å; K32-V42 HydrophobicContact CB-CG2 3.54Å; K32-V42 HydrophobicContact CD-CG2 3.42Å; K32-V42 VanDerWaalsContact CD-CG2 3.42Å; K32-V42 HydrophobicContact CG-CG2 3.37Å; K32-A66 HydrophobicContact CG-CB 4.12Å
33P39.4Very low44.1Very low75 Ų7558.7 Ų58.749%0.48733%0.334SS..EExtended strand (participates in β ladder)trans-57.7126.5165.424.1-32.7000108.4N65P33-N65 WeakPolarHBondContact CD-O 3.44Å; P33-N65 HydrophobicContact CG-CB 3.41Å; P33-N65 VanDerWaalsContact CG-CB 3.41Å
34S37.1Very low44.4Very low33 Ų3352.7 Ų52.723%0.23131%0.308CS..PPolyproline II helixtrans-70.2149.5168.2-170.90000108.8K32 N36 G37 G38 T40K32-S34 PolarHBondContact O-N 3.28Å; S34-N36 PolarHBondContact O-N 3.43Å; S34-N36 PolarHBondContact OG-N 2.99Å; S34-G37 PolarHBondContact O-N 3.06Å; S34-G37 VanDerWaalsContact O-N 3.1Å; S34-G38 VanDerWaalsContact CA-O 3.31Å; S34-G38 WeakPolarHBondContact CA-O 3.41Å; S34-G38 WeakPolarHBondContact CB-O 3.28Å; S34-G38 PolarHBondContact N-O 3.04Å; S34-T40 WeakPolarHBondContact CA-OG1 3.29Å; S34-T40 WeakPolarHBondContact CB-OG1 3.49Å; S34-T40 PolarHBondContact OG-OG1 2.84Å
35V39.2Very low44.6Very low124 Ų12451.8 Ų51.875%0.75230%0.303SS*.THydrogen-bonded Turntrans-55.6-22.8170.6-172.90000111.5
36N37.3Very low44.9Very low149 Ų14956.3 Ų56.380%0.79732%0.32SS*.THydrogen-bonded Turntrans-95.117.8-179.4-58.4-8000114.1S34 G38S34-N36 PolarHBondContact O-N 3.43Å; S34-N36 PolarHBondContact OG-N 2.99Å; N36-G38 PolarHBondContact O-N 3.39Å
37G32.2Very low44.7Very low79 Ų7954 Ų5481%0.81431%0.31SS*.SBendtrans76.11.917900000115.7S34S34-G37 PolarHBondContact O-N 3.06Å; S34-G37 VanDerWaalsContact O-N 3.1Å
38G31.6Very low44.7Very low30 Ų3056.9 Ų56.931%0.30933%0.326SS..SBendtrans-100.9162.4174.400000113.3S34 N36S34-G38 VanDerWaalsContact CA-O 3.31Å; S34-G38 WeakPolarHBondContact CA-O 3.41Å; S34-G38 WeakPolarHBondContact CB-O 3.28Å; S34-G38 PolarHBondContact N-O 3.04Å; N36-G38 PolarHBondContact O-N 3.39Å
39P39.7Very low44.6Very low50 Ų5064 Ų6433%0.32535%0.353SS..EExtended strand (participates in β ladder)trans-74.1123.4170.526.4-31.4000112.3V31 I89V31-P39 HydrophobicContact CG1-CB 3.19Å; P39-I89 HydrophobicContact CG-CG2 4.14Å; P39-I89 WeakPolarHBondContact O-CG2 3.48Å
40T41Very low44.4Very low31 Ų3172.2 Ų72.219%0.1938%0.384CS..EExtended strand (participates in β ladder)trans-92.1124.1167.7-62.50000109.9V31 K32 S34 V42 L86V31-T40 CarbonylContact C-O 3.48Å; V31-T40 WeakPolarHBondContact CA-O 3.2Å; K32-T40 PolarHBondContact N-O 2.92Å; K32-T40 WeakPolarHBondContact O-CA 3.29Å; K32-T40 WeakPolarHBondContact O-CB 2.89Å; K32-T40 PolarHBondContact O-N 3.18Å; S34-T40 WeakPolarHBondContact CA-OG1 3.29Å; S34-T40 WeakPolarHBondContact CB-OG1 3.49Å; S34-T40 PolarHBondContact OG-OG1 2.84Å; T40-V42 PolarHBondContact O-N 2.97Å; T40-L86 HydrophobicContact CG2-CD1 3.94Å; T40-L86 HydrophobicContact CG2-CG 4.36Å
41L48.3Very low44.2Very low15 Ų1577.6 Ų77.68%0.07941%0.413CS..EExtended strand (participates in β ladder)trans-61.3129.7164.1-125.429.6000108.5R29 V31 A84 I89R29-L41 HydrophobicContact CG-CD1 3.35Å; V31-L41 HydrophobicContact CG2-CD1 4.49Å; L41-A84 HydrophobicContact CD2-CB 3.21Å; L41-A84 HydrophobicContact CG-CB 3.98Å; L41-I89 HydrophobicContact CB-CD1 3.27Å; L41-I89 HydrophobicContact CB-CG1 4.46Å; L41-I89 HydrophobicContact CD1-CD1 4.02Å; L41-I89 HydrophobicContact CD1-CG1 4.5Å; L41-I89 HydrophobicContact CD2-CD1 3.41Å; L41-I89 VanDerWaalsContact CD2-CD1 3.41Å; L41-I89 HydrophobicContact CD2-CG1 3.81Å; L41-I89 HydrophobicContact CG-CD1 3.72Å; L41-I89 HydrophobicContact CG-CG1 4.48Å
42V48.4Very low43.8Very low55 Ų5580.4 Ų80.433%0.33343%0.433SS..EExtended strand (participates in β ladder)trans-96.9-46.4166.4-173.40000109.4I30 K32 T40I30-V42 HydrophobicContact CB-CB 4.18Å; I30-V42 HydrophobicContact CG2-CB 3.86Å; I30-V42 HydrophobicContact CG2-CG1 4.4Å; I30-V42 HydrophobicContact CG2-CG2 4.15Å; I30-V42 PolarHBondContact O-N 2.92Å; K32-V42 HydrophobicContact CB-CG2 3.54Å; K32-V42 HydrophobicContact CD-CG2 3.42Å; K32-V42 VanDerWaalsContact CD-CG2 3.42Å; K32-V42 HydrophobicContact CG-CG2 3.37Å; T40-V42 PolarHBondContact O-N 2.97Å
43R48.5Very low43.8Very low140 Ų14078.9 Ų78.953%0.52843%0.427SS..EExtended strand (participates in β ladder)trans-163.5148.3-173.1-136.7163.3-179.2-175.21.9112.1I30 L45I30-R43 HydrophobicContact CB-CB 4.42Å; I30-R43 HydrophobicContact CD1-CB 4.3Å; I30-R43 PolarHBondContact N-O 3.35Å; I30-R43 PolarHBondContact O-N 3.27Å; R43-L45 HydrophobicContact CB-CG 4.5Å; R43-L45 HydrophobicContact CG-CD2 4.08Å; R43-L45 HydrophobicContact CG-CG 4.5Å
44C48.8Very low44.1Very low20 Ų2077.1 Ų77.114%0.13541%0.413CS..EExtended strand (participates in β ladder)trans-102.5128.7157.9-72.10000107.5V28 C74 C78V28-C44 CarbonylContact O-C 3.51Å; V28-C44 VanDerWaalsContact O-CA 3.31Å; V28-C44 WeakPolarHBondContact O-CA 3.45Å; C44-C74 WeakPolarHBondContact CA-SG 3.46Å; C44-C74 HydrophobicContact CB-CB 3.53Å; C44-C74 WeakPolarHBondContact CB-SG 3.11Å; C44-C74 WeakPolarHBondContact SG-CA 2.98Å; C44-C74 WeakPolarHBondContact SG-CB 3.41Å; C44-C74 CovalentContact SG-SG 2.04Å; C44-C74 PolarHBondContact SG-SG 3.45Å; C44-C78 WeakPolarHBondContact CB-SG 3.5Å; C44-C78 PolarHBondContact O-SG 3.32Å; C44-C78 VanDerWaalsContact O-SG 3.39Å
45L49.1Very low44.6Very low37 Ų3779.3 Ų79.319%0.19442%0.422CS..EExtended strand (participates in β ladder)trans-119146.3177.7-65179.3000109.8F27 V28 I30 R43 L47 L57F27-L45 CarbonylContact C-O 3.58Å; F27-L45 WeakPolarHBondContact CA-O 3.21Å; V28-L45 PolarHBondContact N-O 2.83Å; V28-L45 PolarHBondContact O-N 3.13Å; I30-L45 HydrophobicContact CD1-CD1 3.51Å; I30-L45 HydrophobicContact CD1-CG 4.18Å; I30-L45 HydrophobicContact CG1-CD1 4.4Å; R43-L45 HydrophobicContact CB-CG 4.5Å; R43-L45 HydrophobicContact CG-CD2 4.08Å; R43-L45 HydrophobicContact CG-CG 4.5Å; L45-L47 HydrophobicContact CB-CD2 4.21Å; L45-L47 HydrophobicContact CB-CG 4.22Å; L45-L47 HydrophobicContact CD1-CD2 4.33Å; L45-L57 HydrophobicContact CD1-CD1 3.79Å; L45-L57 HydrophobicContact CD1-CD2 4.37Å
46K51.9Low44.8Very low115 Ų11579.6 Ų79.650%0.541%0.411SS..EExtended strand (participates in β ladder)trans-99.8105166-177.4-178.5173.1-175.50105.6C25 F27C25-K46 HydrophobicContact CB-CD 4.27Å; C25-K46 VanDerWaalsContact CB-CE 3.5Å; C25-K46 HydrophobicContact CB-CG 3.74Å; C25-K46 WeakPolarHBondContact SG-CE 3.32Å; F27-K46 HydrophobicContact CD1-CB 4.48Å; F27-K46 HydrophobicContact CE1-CB 4.3Å; F27-K46 HydrophobicContact CE1-CD 4.49Å; F27-K46 HydrophobicContact CE1-CG 4.25Å
47L49.6Very low45Very low17 Ų1773.5 Ų73.59%0.08938%0.378CS..EExtended strand (participates in β ladder)trans-101141.4-178.8-64.5177000110.4C25 E26 V28 L45 E53 I54 L57C25-L47 CarbonylContact C-O 3.51Å; C25-L47 WeakPolarHBondContact CA-O 3.45Å; E26-L47 PolarHBondContact N-O 2.74Å; E26-L47 PolarHBondContact O-N 2.73Å; V28-L47 HydrophobicContact CB-CD1 3.83Å; V28-L47 HydrophobicContact CB-CG 4.33Å; V28-L47 HydrophobicContact CG1-CD1 4.15Å; V28-L47 HydrophobicContact CG2-CB 4.45Å; V28-L47 HydrophobicContact CG2-CD1 3.5Å; V28-L47 HydrophobicContact CG2-CG 4.11Å; L45-L47 HydrophobicContact CB-CD2 4.21Å; L45-L47 HydrophobicContact CB-CG 4.22Å; L45-L47 HydrophobicContact CD1-CD2 4.33Å; L47-E53 HydrophobicContact CD2-CB 4.49Å; L47-I54 HydrophobicContact CD1-CG1 3.69Å; L47-L57 HydrophobicContact CD1-CD1 3.44Å; L47-L57 VanDerWaalsContact CD1-CD1 3.44Å; L47-L57 HydrophobicContact CD2-CD1 3.75Å; L47-L57 HydrophobicContact CG-CD1 4.18Å
48L50.6Low45.7Very low88 Ų8873.7 Ų73.746%0.46136%0.36SS..EExtended strand (participates in β ladder)trans-67.4138.6169.1-72162.8000107.5D24 R50 E53D24-L48 CarbonylContact O-C 3.52Å; D24-L48 WeakPolarHBondContact O-CA 3.41Å; L48-R50 PolarHBondContact O-N 3.12Å; L48-E53 PolarHBondContact N-OE2 3.17Å
49R48.7Very low46.3Very low151 Ų15178.4 Ų78.457%0.5737%0.372SS*.SBendtrans-60.79.3-176.1-146.3176.7-174.5-174-2.7114.8D24 E26 N51D24-R49 WeakPolarHBondContact O-CB 3.2Å; D24-R49 PolarHBondContact O-N 3.43Å; E26-R49 HydrophobicContact CG-CG 4.45Å; E26-R49 IonicContact OE1-NE 3.17Å; R49-N51 PolarHBondContact O-N 3.05Å; R49-N51 VanDerWaalsContact O-N 3.16Å
50R47.6Very low46.3Very low186 Ų18681.5 Ų81.570%0.70238%0.382SS*.  trans-68.4110.4170.6-69.7-175.9174.3-180-1.7107.6L48 S52 E53L48-R50 PolarHBondContact O-N 3.12Å; R50-S52 WeakPolarHBondContact CB-OG 3.2Å; R50-S52 PolarHBondContact O-N 3.16Å; R50-E53 PolarHBondContact O-N 3.39Å
51N46.8Very low46.3Very low126 Ų12681.6 Ų81.667%0.67438%0.382SS*.Hα-helixtrans-41.1-32.6172-70.4-20.9000112.5R49 E53 I54 D55R49-N51 PolarHBondContact O-N 3.05Å; R49-N51 VanDerWaalsContact O-N 3.16Å; N51-E53 VanDerWaalsContact C-N 3.3Å; N51-E53 PolarHBondContact O-N 3.29Å; N51-I54 PolarHBondContact O-N 3.12Å; N51-D55 VanDerWaalsContact O-CB 3.26Å; N51-D55 WeakPolarHBondContact O-CB 3.19Å; N51-D55 PolarHBondContact O-N 3.14Å
52S41.1Very low45.9Very low73 Ų7390.3 Ų90.351%0.5141%0.414SS..Hα-helixtrans-57.9-30.9175.964.50000115.2R50 Y56R50-S52 WeakPolarHBondContact CB-OG 3.2Å; R50-S52 PolarHBondContact O-N 3.16Å; S52-Y56 WeakPolarHBondContact O-CA 3.44Å; S52-Y56 WeakPolarHBondContact O-CB 3.19Å; S52-Y56 PolarHBondContact O-N 3.43Å
53E43.5Very low45.2Very low63 Ų6394.5 Ų94.529%0.29443%0.434SS..Hα-helixtrans-81.1-38.3-179.1-82.6-175.3-177.800112.6L47 L48 R50 N51 Y56 L57L47-E53 HydrophobicContact CD2-CB 4.49Å; L48-E53 PolarHBondContact N-OE2 3.17Å; R50-E53 PolarHBondContact O-N 3.39Å; N51-E53 VanDerWaalsContact C-N 3.3Å; N51-E53 PolarHBondContact O-N 3.29Å; E53-Y56 PolarHBondContact O-N 3.15Å; E53-L57 WeakPolarHBondContact O-CB 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.39Å; E53-L57 PolarHBondContact O-N 3.49Å
54I45.3Very low44.7Very low38 Ų3889.6 Ų89.620%0.19542%0.421CS..Hα-helixtrans-68.2-44.2171.5-65.3173.6000109.1L47 N51 Y56 L57 L58L47-I54 HydrophobicContact CD1-CG1 3.69Å; N51-I54 PolarHBondContact O-N 3.12Å; I54-Y56 VanDerWaalsContact C-N 3.27Å; I54-Y56 PolarHBondContact O-N 3.42Å; I54-L57 PolarHBondContact O-N 3.45Å; I54-L58 HydrophobicContact CG2-CD1 3.8Å; I54-L58 HydrophobicContact CG2-CG 4.24Å; I54-L58 WeakPolarHBondContact O-CB 3.46Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 2.85Å
55D47.8Very low44.3Very low78 Ų7895.1 Ų95.142%0.41745%0.449SS..Hα-helixtrans-62-36.2172.7-73.1-24.9000111.7N51 L58 K59N51-D55 VanDerWaalsContact O-CB 3.26Å; N51-D55 WeakPolarHBondContact O-CB 3.19Å; N51-D55 PolarHBondContact O-N 3.14Å; D55-L58 PolarHBondContact O-N 3.29Å; D55-K59 WeakPolarHBondContact O-CA 3.17Å; D55-K59 WeakPolarHBondContact O-CB 3.26Å; D55-K59 WeakPolarHBondContact O-CG 3.34Å; D55-K59 PolarHBondContact O-N 3.49Å
56Y42.5Very low43.8Very low130 Ų13094 Ų9451%0.5145%0.445SS..Hα-helixtrans-65.6-46.1174.4176.4-95.3000110.7S52 E53 I54 L58 K59 Q60S52-Y56 WeakPolarHBondContact O-CA 3.44Å; S52-Y56 WeakPolarHBondContact O-CB 3.19Å; S52-Y56 PolarHBondContact O-N 3.43Å; E53-Y56 PolarHBondContact O-N 3.15Å; I54-Y56 VanDerWaalsContact C-N 3.27Å; I54-Y56 PolarHBondContact O-N 3.42Å; Y56-L58 VanDerWaalsContact C-N 3.35Å; Y56-L58 PolarHBondContact O-N 3.01Å; Y56-K59 PolarHBondContact O-N 3.32Å; Y56-Q60 WeakPolarHBondContact O-CB 3.2Å; Y56-Q60 PolarHBondContact O-N 2.97Å; Y56-Q60 PolarHBondContact OH-NE2 3.47Å
57L42Very low43.4Very low22 Ų2290.9 Ų90.912%0.11544%0.441CS..Hα-helixtrans-65.9-38.2175.9-73.1173.6000111.6L45 L47 E53 I54 N61L45-L57 HydrophobicContact CD1-CD1 3.79Å; L45-L57 HydrophobicContact CD1-CD2 4.37Å; L47-L57 HydrophobicContact CD1-CD1 3.44Å; L47-L57 VanDerWaalsContact CD1-CD1 3.44Å; L47-L57 HydrophobicContact CD2-CD1 3.75Å; L47-L57 HydrophobicContact CG-CD1 4.18Å; E53-L57 WeakPolarHBondContact O-CB 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.39Å; E53-L57 PolarHBondContact O-N 3.49Å; I54-L57 PolarHBondContact O-N 3.45Å; L57-N61 WeakPolarHBondContact O-CB 3.22Å; L57-N61 PolarHBondContact O-N 3.27Å; L57-N61 PolarHBondContact O-ND2 2.82Å
58L46.1Very low43.1Very low82 Ų8291.6 Ų91.643%0.42945%0.446SS..Hα-helixtrans-67.9-40.3174.8-71.3171.2000111.2I54 D55 Y56 N61 R62 V68I54-L58 HydrophobicContact CG2-CD1 3.8Å; I54-L58 HydrophobicContact CG2-CG 4.24Å; I54-L58 WeakPolarHBondContact O-CB 3.46Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 2.85Å; D55-L58 PolarHBondContact O-N 3.29Å; Y56-L58 VanDerWaalsContact C-N 3.35Å; Y56-L58 PolarHBondContact O-N 3.01Å; L58-N61 CarbonylContact O-C 3.6Å; L58-N61 PolarHBondContact O-N 2.84Å; L58-R62 WeakPolarHBondContact O-CG 3.24Å; L58-R62 PolarHBondContact O-N 3.29Å; L58-V68 HydrophobicContact CD2-CB 4.02Å; L58-V68 HydrophobicContact CD2-CG2 3.94Å
59K44.8Very low43.1Very low130 Ų13089.8 Ų89.857%0.56544%0.438SS*.Hα-helixtrans-65.3-45.4174.4-79.3172.3-178.4-179.90111.9D55 Y56 N61 R62D55-K59 WeakPolarHBondContact O-CA 3.17Å; D55-K59 WeakPolarHBondContact O-CB 3.26Å; D55-K59 WeakPolarHBondContact O-CG 3.34Å; D55-K59 PolarHBondContact O-N 3.49Å; Y56-K59 PolarHBondContact O-N 3.32Å; K59-N61 VanDerWaalsContact C-N 3.28Å; K59-N61 PolarHBondContact O-N 3.3Å; K59-R62 WeakPolarHBondContact O-CB 3.19Å; K59-R62 PolarHBondContact O-N 3.47Å
60Q39.3Very low43.1Very low114 Ų11487.3 Ų87.353%0.53344%0.44SS..Hα-helixtrans-71-27.9179.4-160176.438.800111.5Y56Y56-Q60 WeakPolarHBondContact O-CB 3.2Å; Y56-Q60 PolarHBondContact O-N 2.97Å; Y56-Q60 PolarHBondContact OH-NE2 3.47Å
61N41.7Very low43.5Very low34 Ų3479.6 Ų79.618%0.18241%0.413CS..THydrogen-bonded Turntrans-93.16.7174.1-69.8-52000113.9L57 L58 K59 N63 S64 A66L57-N61 WeakPolarHBondContact O-CB 3.22Å; L57-N61 PolarHBondContact O-N 3.27Å; L57-N61 PolarHBondContact O-ND2 2.82Å; L58-N61 CarbonylContact O-C 3.6Å; L58-N61 PolarHBondContact O-N 2.84Å; K59-N61 VanDerWaalsContact C-N 3.28Å; K59-N61 PolarHBondContact O-N 3.3Å; N61-N63 PolarHBondContact O-N 2.78Å; N61-S64 WeakPolarHBondContact CA-OG 3.29Å; N61-S64 WeakPolarHBondContact CB-OG 3.35Å; N61-S64 CarbonylContact O-C 3.53Å; N61-S64 PolarHBondContact O-N 3.13Å; N61-S64 PolarHBondContact O-OG 2.76Å; N61-S64 VanDerWaalsContact O-OG 3.08Å; N61-S64 PolarHBondContact OD1-OG 3.48Å; N61-S64 VanDerWaalsContact OD1-OG 3.08Å; N61-A66 HydrophobicContact CB-CB 4.32Å
62R39.1Very low43.8Very low198 Ų19878.4 Ų78.475%0.74742%0.415SS*.THydrogen-bonded Turntrans-53.5-27.3175.3-84.3178.9178.7-168.8-3.1113L58 K59L58-R62 WeakPolarHBondContact O-CG 3.24Å; L58-R62 PolarHBondContact O-N 3.29Å; K59-R62 WeakPolarHBondContact O-CB 3.19Å; K59-R62 PolarHBondContact O-N 3.47Å
63N35.2Very low44.3Very low143 Ų14378 Ų7877%0.76541%0.409SS*.THydrogen-bonded Turntrans-96.77.9178.9-65.9-14.5000113.9N61N61-N63 PolarHBondContact O-N 2.78Å
64S37.1Very low44.6Very low36 Ų3675.1 Ų75.125%0.25240%0.395SS..SBendtrans-130.3138.9-177.679.50000109.8N61 A66N61-S64 WeakPolarHBondContact CA-OG 3.29Å; N61-S64 WeakPolarHBondContact CB-OG 3.35Å; N61-S64 CarbonylContact O-C 3.53Å; N61-S64 PolarHBondContact O-N 3.13Å; N61-S64 PolarHBondContact O-OG 2.76Å; N61-S64 VanDerWaalsContact O-OG 3.08Å; N61-S64 PolarHBondContact OD1-OG 3.48Å; N61-S64 VanDerWaalsContact OD1-OG 3.08Å; S64-A66 PolarHBondContact O-N 3.43Å; S64-A66 WeakPolarHBondContact OG-CB 3.43Å
65N41.6Very low44.9Very low137 Ų13779.7 Ų79.773%0.73341%0.41SS*.  trans-69.626.6175.9-61.4-20.6000112.9P33 A67P33-N65 WeakPolarHBondContact CD-O 3.44Å; P33-N65 HydrophobicContact CG-CB 3.41Å; P33-N65 VanDerWaalsContact CG-CB 3.41Å; N65-A67 PolarHBondContact O-N 2.67Å
66A37Very low45.1Very low13 Ų1384.3 Ų84.311%0.10743%0.427CS..  trans-79118.4-176.900000110.4I30 V31 K32 N61 S64I30-A66 HydrophobicContact CG2-CB 3.98Å; V31-A66 CarbonylContact O-C 3.48Å; V31-A66 VanDerWaalsContact O-CA 3.22Å; V31-A66 WeakPolarHBondContact O-CA 2.95Å; K32-A66 HydrophobicContact CG-CB 4.12Å; N61-A66 HydrophobicContact CB-CB 4.32Å; S64-A66 PolarHBondContact O-N 3.43Å; S64-A66 WeakPolarHBondContact OG-CB 3.43Å
67A44.9Very low45.4Very low49 Ų4980 Ų8041%0.40541%0.409SS..EExtended strand (participates in β ladder)trans-84131.3167.400000109.5I30 V31 N65I30-A67 WeakPolarHBondContact CA-O 3.17Å; V31-A67 HydrophobicContact CB-CB 4.41Å; V31-A67 PolarHBondContact N-O 3.4Å; V31-A67 PolarHBondContact O-N 3.39Å; N65-A67 PolarHBondContact O-N 2.67Å
68V42Very low45.4Very low33 Ų3380.6 Ų80.620%0.242%0.415CS..EExtended strand (participates in β ladder)trans-105.6110.4177.1-177.50000107V28 R29 L58V28-V68 HydrophobicContact CG1-CB 4.43Å; V28-V68 HydrophobicContact CG1-CG1 3.13Å; R29-V68 WeakPolarHBondContact O-CA 3.4Å; L58-V68 HydrophobicContact CD2-CB 4.02Å; L58-V68 HydrophobicContact CD2-CG2 3.94Å
69T52Low45.3Very low49 Ų4982.8 Ų82.830%0.30142%0.423SS..EExtended strand (participates in β ladder)trans-118.9139.5179.958.40000110.6V28 R29 D71V28-T69 CarbonylContact C-O 3.58Å; R29-T69 WeakPolarHBondContact CB-O 3.4Å; R29-T69 PolarHBondContact N-O 3.36Å; R29-T69 PolarHBondContact O-N 3.47Å; T69-D71 PolarHBondContact O-N 3.11Å
70T47.7Very low44.9Very low100 Ų10079.2 Ų79.261%0.61342%0.418SS*.EExtended strand (participates in β ladder)trans-74.4120.4169.948.30000108.2E26 V28E26-T70 WeakPolarHBondContact OE2-CG2 3.39Å; V28-T70 HydrophobicContact CG2-CG2 4.43Å
71D56.3Low44.3Very low24 Ų2477.5 Ų77.513%0.12843%0.43CS..  trans-134115.2-172-164.5-12.7000111.8F27 R29 T69 V73 C74F27-D71 PolarHBondContact O-N 2.82Å; R29-D71 HydrophobicContact CB-CB 3.67Å; R29-D71 WeakPolarHBondContact CD-OD2 3.33Å; R29-D71 HydrophobicContact CG-CB 4.49Å; R29-D71 IonicContact CZ-OD2 3.81Å; R29-D71 IonicContact NE-OD2 3.85Å; R29-D71 IonicContact NH1-OD2 2.92Å; R29-D71 PolarHBondContact NH1-OD2 2.71Å; T69-D71 PolarHBondContact O-N 3.11Å; D71-V73 PolarHBondContact O-N 3.42Å; D71-V73 WeakPolarHBondContact OD1-CB 3.11Å; D71-V73 VanDerWaalsContact OD1-CG2 3.29Å; D71-V73 WeakPolarHBondContact OD1-CG2 3.38Å; D71-V73 PolarHBondContact OD1-N 2.8Å; D71-C74 HydrophobicContact CB-CB 4.37Å; D71-C74 WeakPolarHBondContact O-CB 3.44Å; D71-C74 PolarHBondContact O-N 2.89Å
72S52.6Low43.6Very low101 Ų10185.2 Ų85.271%0.70646%0.457SS*.Hα-helixtrans-59.4-22.7171.968.20000113.1C74 R75S72-C74 VanDerWaalsContact C-N 3.33Å; S72-R75 WeakPolarHBondContact O-CB 3.12Å; S72-R75 PolarHBondContact O-N 2.83Å
73V52.3Low43.2Very low65 Ų6582.3 Ų82.339%0.39446%0.456SS..Hα-helixtrans-69.2-33.2172.9-178.90000111D71 R75 K76 R77D71-V73 PolarHBondContact O-N 3.42Å; D71-V73 WeakPolarHBondContact OD1-CB 3.11Å; D71-V73 VanDerWaalsContact OD1-CG2 3.29Å; D71-V73 WeakPolarHBondContact OD1-CG2 3.38Å; D71-V73 PolarHBondContact OD1-N 2.8Å; V73-R75 PolarHBondContact O-N 3.28Å; V73-K76 PolarHBondContact O-N 3.27Å; V73-R77 PolarHBondContact O-N 2.87Å
74C50.3Low42.9Very low1 Ų176.3 Ų76.31%0.00743%0.426CS..Hα-helixtrans-66.2-25.8174.1-85.50000112.5F27 R29 C44 D71 S72 K76 R77 C78F27-C74 HydrophobicContact CB-CB 3.91Å; R29-C74 VanDerWaalsContact CB-SG 3.55Å; C44-C74 WeakPolarHBondContact CA-SG 3.46Å; C44-C74 HydrophobicContact CB-CB 3.53Å; C44-C74 WeakPolarHBondContact CB-SG 3.11Å; C44-C74 WeakPolarHBondContact SG-CA 2.98Å; C44-C74 WeakPolarHBondContact SG-CB 3.41Å; C44-C74 CovalentContact SG-SG 2.04Å; C44-C74 PolarHBondContact SG-SG 3.45Å; D71-C74 HydrophobicContact CB-CB 4.37Å; D71-C74 WeakPolarHBondContact O-CB 3.44Å; D71-C74 PolarHBondContact O-N 2.89Å; S72-C74 VanDerWaalsContact C-N 3.33Å; C74-K76 VanDerWaalsContact C-N 3.33Å; C74-K76 PolarHBondContact O-N 2.95Å; C74-R77 PolarHBondContact O-N 2.93Å; C74-C78 WeakPolarHBondContact O-CB 3.12Å; C74-C78 PolarHBondContact O-N 3.41Å
75R51.2Low42.5Very low134 Ų13483.7 Ų83.751%0.50645%0.448SS..Hα-helixtrans-54.1-48.6171.2-174.1166-176.7-173.91.8111.9F27 S72 V73 R77 H79F27-R75 HydrophobicContact CB-CB 4.42Å; F27-R75 VanDerWaalsContact CD1-CA 3.45Å; F27-R75 HydrophobicContact CD1-CB 4.2Å; F27-R75 HydrophobicContact CD2-CB 3.54Å; F27-R75 HydrophobicContact CD2-CG 3.75Å; F27-R75 HydrophobicContact CE1-CB 4.34Å; F27-R75 HydrophobicContact CE1-CG 4.33Å; F27-R75 HydrophobicContact CE2-CB 3.73Å; F27-R75 HydrophobicContact CE2-CG 3.38Å; F27-R75 VanDerWaalsContact CG-CA 3.47Å; F27-R75 HydrophobicContact CG-CB 3.78Å; F27-R75 HydrophobicContact CG-CG 4.36Å; F27-R75 HydrophobicContact CZ-CB 4.11Å; F27-R75 HydrophobicContact CZ-CG 3.68Å; S72-R75 WeakPolarHBondContact O-CB 3.12Å; S72-R75 PolarHBondContact O-N 2.83Å; V73-R75 PolarHBondContact O-N 3.28Å; R75-R77 VanDerWaalsContact C-N 3.34Å; R75-R77 PolarHBondContact O-N 2.89Å; R75-H79 PolarHBondContact O-CD2 3.13Å; R75-H79 PolarHBondContact O-N 3.42Å
76K51.4Low41.9Very low176 Ų17682.2 Ų82.277%0.76544%0.44SS*.Hα-helixtrans-66.4-33.4-179.9-68.4-173.6178.8-177.70112.7V73 C74V73-K76 PolarHBondContact O-N 3.27Å; C74-K76 VanDerWaalsContact C-N 3.33Å; C74-K76 PolarHBondContact O-N 2.95Å
77R48.6Very low41.5Very low38 Ų3888.1 Ų88.114%0.14347%0.465CS..Hα-helixtrans-86.7-35.3-176.4-60.8-166.7-164.1-174.217114V73 C74 R75 A80 A84 R85 T88V73-R77 PolarHBondContact O-N 2.87Å; C74-R77 PolarHBondContact O-N 2.93Å; R75-R77 VanDerWaalsContact C-N 3.34Å; R75-R77 PolarHBondContact O-N 2.89Å; R77-A80 PolarHBondContact O-N 3.4Å; R77-A84 HydrophobicContact CB-CB 4.48Å; R77-R85 PolarHBondContact NH1-O 3.18Å; R77-T88 PolarHBondContact NH1-OG1 3.3Å; R77-T88 PolarHBondContact NH2-O 2.9Å; R77-T88 PolarHBondContact NH2-OG1 3.43Å
78C42.7Very low40.7Very low36 Ų3690.2 Ų90.224%0.24347%0.473CS..Hα-helixtrans-65.2-38.4173-78.40000112F27 C44 C74 A80 G81F27-C78 HydrophobicContact CD1-CB 3.73Å; F27-C78 HydrophobicContact CE1-CB 3.63Å; C44-C78 WeakPolarHBondContact CB-SG 3.5Å; C44-C78 PolarHBondContact O-SG 3.32Å; C44-C78 VanDerWaalsContact O-SG 3.39Å; C74-C78 WeakPolarHBondContact O-CB 3.12Å; C74-C78 PolarHBondContact O-N 3.41Å; C78-A80 PolarHBondContact O-N 2.98Å; C78-G81 PolarHBondContact O-N 2.81Å
79H43.8Very low40.1Very low128 Ų12889.1 Ų89.159%0.59347%0.466SS*.THydrogen-bonded Turntrans-64.2-23173.6-86.4-65000113.3F27 R75F27-H79 AromaticContact CZ-NE2 3.98Å; R75-H79 PolarHBondContact O-CD2 3.13Å; R75-H79 PolarHBondContact O-N 3.42Å
80A36.3Very low38.8Very low55 Ų5594.6 Ų94.646%0.45549%0.488SS..THydrogen-bonded Turntrans-90.6-0.2-178.400000114.1R77 C78 R82R77-A80 PolarHBondContact O-N 3.4Å; C78-A80 PolarHBondContact O-N 2.98Å; A80-R82 HydrophobicContact CB-CB 4.28Å; A80-R82 HydrophobicContact CB-CG 4.28Å; A80-R82 WeakPolarHBondContact O-CG 2.98Å; A80-R82 PolarHBondContact O-N 2.84Å
81G26.1Very low37.8Very low77 Ų7797.3 Ų97.379%0.79450%0.499SS*.THydrogen-bonded Turntrans59.112.2-174.100000114.1C78C78-G81 PolarHBondContact O-N 2.81Å
82R28.3Very low36.4Very low197 Ų19798.9 Ų98.974%0.74351%0.509SS*.  trans-96.7125.9-171.9-79.1177.5-177-179.50.8110.1A80 A84A80-R82 HydrophobicContact CB-CB 4.28Å; A80-R82 HydrophobicContact CB-CG 4.28Å; A80-R82 WeakPolarHBondContact O-CG 2.98Å; A80-R82 PolarHBondContact O-N 2.84Å; R82-A84 PolarHBondContact O-N 3.18Å
83L29.9Very low35Very low137 Ų13799.5 Ų99.572%0.71751%0.508SS*.  trans-55.6124.8158-75.8167.1000107.9R85L83-R85 PolarHBondContact O-N 2.86Å
84A28.8Very low33.8Very low17 Ų17102.4 Ų102.414%0.1452%0.521CS..  trans-74.7100.7-169.800000109.5L41 R77 R82L41-A84 HydrophobicContact CD2-CB 3.21Å; L41-A84 HydrophobicContact CG-CB 3.98Å; R77-A84 HydrophobicContact CB-CB 4.48Å; R82-A84 PolarHBondContact O-N 3.18Å
85R28.7Very low32.6Very low190 Ų190107.2 Ų107.272%0.71755%0.546SS*.  trans-54.5142.4178-75.4-173176.8-175.9-0.9111.6R77 L83 E87 T88R77-R85 PolarHBondContact NH1-O 3.18Å; L83-R85 PolarHBondContact O-N 2.86Å; R85-E87 PolarHBondContact O-N 3.05Å; R85-E87 VanDerWaalsContact O-N 3.15Å; R85-T88 PolarHBondContact O-OG1 2.82Å; R85-T88 VanDerWaalsContact O-OG1 3.09Å
86L29.1Very low31.3Very low106 Ų106106 Ų10656%0.55556%0.556SS**G310 helixtrans-53-31.9-178.1-115.3118.8000113.6T40 T88 I89T40-L86 HydrophobicContact CG2-CD1 3.94Å; T40-L86 HydrophobicContact CG2-CG 4.36Å; L86-T88 PolarHBondContact O-N 3.19Å; L86-I89 PolarHBondContact O-N 2.83Å
87E27.8Very low30.1Very low137 Ų137107.5 Ų107.564%0.6456%0.557SS**G310 helixtrans-63.2-16.4-170.4-67.3167.416300114.5R85R85-E87 PolarHBondContact O-N 3.05Å; R85-E87 VanDerWaalsContact O-N 3.15Å
88T29.5Very low29Very low93 Ų93113.3 Ų113.357%0.57159%0.585SS**G310 helixtrans-105.522.8-175.432.30000113.1R77 R85 L86R77-T88 PolarHBondContact NH1-OG1 3.3Å; R77-T88 PolarHBondContact NH2-O 2.9Å; R77-T88 PolarHBondContact NH2-OG1 3.43Å; R85-T88 PolarHBondContact O-OG1 2.82Å; R85-T88 VanDerWaalsContact O-OG1 3.09Å; L86-T88 PolarHBondContact O-N 3.19Å
89I29.2Very low28.1Very low10 Ų10117.7 Ų117.75%0.05161%0.606CS.*  trans-117.8-7.8-177.4-64.1160.6000112.5P39 L41 L86 N91 V92P39-I89 HydrophobicContact CG-CG2 4.14Å; P39-I89 WeakPolarHBondContact O-CG2 3.48Å; L41-I89 HydrophobicContact CB-CD1 3.27Å; L41-I89 HydrophobicContact CB-CG1 4.46Å; L41-I89 HydrophobicContact CD1-CD1 4.02Å; L41-I89 HydrophobicContact CD1-CG1 4.5Å; L41-I89 HydrophobicContact CD2-CD1 3.41Å; L41-I89 VanDerWaalsContact CD2-CD1 3.41Å; L41-I89 HydrophobicContact CD2-CG1 3.81Å; L41-I89 HydrophobicContact CG-CD1 3.72Å; L41-I89 HydrophobicContact CG-CG1 4.48Å; L86-I89 PolarHBondContact O-N 2.83Å; I89-N91 PolarHBondContact O-N 3.23Å; I89-V92 PolarHBondContact O-N 3.36Å
90Q25Very low27.1Very low165 Ų165117 Ų11777%0.77161%0.607SS**THydrogen-bonded Turntrans-61.2-3.5-170.4-70.8178.9-21.100115.3
91N25.6Very low26.4Very low156 Ų156121.5 Ų121.583%0.83462%0.621SS**THydrogen-bonded Turntrans-119.619.8-174.6-64-26.5000115.2I89I89-N91 PolarHBondContact O-N 3.23Å
92V27.4Very low26.3Very low58 Ų58124.4 Ų124.435%0.35262%0.618SS.*  trans-104.498.8178.6-173.10000111.1I89 L94I89-V92 PolarHBondContact O-N 3.36Å; V92-L94 HydrophobicContact CG1-CD1 3.52Å; V92-L94 HydrophobicContact CG1-CG 3.84Å; V92-L94 PolarHBondContact O-N 2.78Å
93V23.5Very low26Very low113 Ų113123.3 Ų123.369%0.68563%0.625SS**  trans-73.1107.1170179.50000108.6
94L27.7Very low25.7Very low126 Ų126119.6 Ų119.666%0.6662%0.619SS**  trans-126.6126.4172.7-82.2161.9000109.9V92V92-L94 HydrophobicContact CG1-CD1 3.52Å; V92-L94 HydrophobicContact CG1-CG 3.84Å; V92-L94 PolarHBondContact O-N 2.78Å
95L24.1Very low25.5Very low102 Ų102129.8 Ų129.853%0.53465%0.654SS.*  trans-74.9142-166.4-67.8149.4000111.7W113L95-W113 HydrophobicContact CD1-CZ2 4Å; L95-W113 HydrophobicContact CD2-CZ2 3.94Å; L95-W113 HydrophobicContact CG-CZ2 4.38Å
96P24.7Very low25.3Very low109 Ų109132.7 Ų132.771%0.70867%0.665SS**  trans-8412917432.6-28.7000110.4
97R25.5Very low25.2Very low208 Ų208138 Ų13879%0.78568%0.678SS**  trans163.8126.4133.3-91.3-179.4179.1-159.80114.7
98E26.3Very low25.3Very low159 Ų159138.2 Ų138.274%0.74368%0.684SS**SBend29.4102.4126.8-64.2162.7-167.300117.5
99D22.8Very low25.4Very low128 Ų128141.9 Ų141.968%0.68469%0.687SS**  trans78.220.6155.7-53.6-14000123.2
100L22.7Very low25.7Very low115 Ų115149.2 Ų149.260%0.60272%0.719SS**  trans-93.7121.3167.3-72.9158.7000110L102L100-L102 HydrophobicContact CD2-CD1 4.19Å
101I22.7Very low26.1Very low148 Ų148144.3 Ų144.376%0.75970%0.702SS**  cis29.883.145.7-51.7-178.3000111.5
102L22.8Very low26.7Very low138 Ų138140.2 Ų140.272%0.72368%0.68SS**  174.1111.2129-94.3147.9000107.6L100 G104L100-L102 HydrophobicContact CD2-CD1 4.19Å; L102-G104 PolarHBondContact O-N 2.75Å
103I23Very low27.1Very low175 Ų175143.4 Ų143.490%0.89769%0.686SS**  trans-60.487.1160.1-61.9171.8000105.7R105I103-R105 PolarHBondContact O-N 3.4Å
104G23Very low27.9Very low58 Ų58143.6 Ų143.660%0.59868%0.68SS**  trans-68.493.1-179.500000109.4L102 R106L102-G104 PolarHBondContact O-N 2.75Å; G104-R106 PolarHBondContact O-N 3.32Å
105R23.9Very low28.5Very low232 Ų232140.1 Ų140.188%0.87567%0.669SS**  trans-53.7124.4168.7-153.8175.4-178.6179.70.4107.9I103 R107I103-R105 PolarHBondContact O-N 3.4Å; R105-R107 PolarHBondContact O-N 3.5Å
106R24.6Very low29.2Very low250 Ų250138.5 Ų138.594%0.94366%0.66SS**SBendtrans-39.9102-179.5-85.3-176.5168.5-173.3-2.9112.4G104G104-R106 PolarHBondContact O-N 3.32Å
107R26.8Very low29.9Very low218 Ų218139.4 Ų139.482%0.82366%0.655SS**  trans-144.2158.8154.2-74.2-163.7176.4-177.3-0.8109.5R105R105-R107 PolarHBondContact O-N 3.5Å
108N31Very low30.9Very low142 Ų142136.3 Ų136.376%0.75965%0.647SS**  trans-49137.6-160.9-108.2-21.5000115.5K110 S111N108-K110 PolarHBondContact O-N 2.75Å; N108-S111 PolarHBondContact O-N 3.48Å; N108-S111 PolarHBondContact O-OG 3.26Å
109R31.3Very low31.6Very low170 Ų170132.7 Ų132.764%0.64264%0.636SS**Hα-helixtrans-56.1-26-171.1-160.6179.2-176.4-176.30.7115.2
110K35.8Very low32.4Very low164 Ų164132.9 Ų132.971%0.71363%0.631SS**Hα-helixtrans-82.9-41.3-175.3-150.3177.2-179.2-174.10112.9N108 N112 W113 E114N108-K110 PolarHBondContact O-N 2.75Å; K110-N112 PolarHBondContact O-N 3.35Å; K110-W113 PolarHBondContact O-N 3.39Å; K110-E114 PolarHBondContact O-N 3.48Å
111S33.8Very low33.3Very low62 Ų62133.5 Ų133.543%0.43463%0.63SS.*Hα-helixtrans-73.7-29.2-178.176.90000113.4N108 A115N108-S111 PolarHBondContact O-N 3.48Å; N108-S111 PolarHBondContact O-OG 3.26Å; S111-A115 VanDerWaalsContact O-CB 3.29Å; S111-A115 WeakPolarHBondContact O-CB 3.31Å; S111-A115 PolarHBondContact O-N 2.8Å; S111-A115 VanDerWaalsContact O-N 3.09Å
112N37.1Very low34.4Very low69 Ų69130.7 Ų130.737%0.36962%0.617SS.*Hα-helixtrans-70.3-36177.4-78.9-5.1000111.8K110 I116K110-N112 PolarHBondContact O-N 3.35Å; N112-I116 WeakPolarHBondContact O-CB 3.09Å; N112-I116 VanDerWaalsContact O-CD1 3.28Å; N112-I116 WeakPolarHBondContact O-CD1 3.04Å; N112-I116 WeakPolarHBondContact O-CG1 3.45Å; N112-I116 PolarHBondContact O-N 2.04Å
113W35.4Very low35.1Very low125 Ų125129.3 Ų129.347%0.47361%0.609SS.*Hα-helixtrans-67.9-47.5176.5-92.1115.4000112.1L95 K110 A115 I116 E117L95-W113 HydrophobicContact CD1-CZ2 4Å; L95-W113 HydrophobicContact CD2-CZ2 3.94Å; L95-W113 HydrophobicContact CG-CZ2 4.38Å; K110-W113 PolarHBondContact O-N 3.39Å; W113-A115 VanDerWaalsContact C-N 3.33Å; W113-A115 PolarHBondContact O-N 2.76Å; W113-I116 PolarHBondContact O-N 3.18Å; W113-E117 WeakPolarHBondContact O-CB 3.42Å; W113-E117 PolarHBondContact O-N 2.72Å
114E42.2Very low35.8Very low117 Ų117124 Ų12455%0.54758%0.582SS.*Hα-helixtrans-61.3-39.3177.1-70.6168.3-174.900112.2K110 K118K110-E114 PolarHBondContact O-N 3.48Å; E114-K118 VanDerWaalsContact O-CB 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 PolarHBondContact O-N 2.86Å
115A39.8Very low36.7Very low53 Ų53123.5 Ų123.544%0.43857%0.57SS.*Hα-helixtrans-68.2-40.4177.100000112.7S111 W113 T119S111-A115 VanDerWaalsContact O-CB 3.29Å; S111-A115 WeakPolarHBondContact O-CB 3.31Å; S111-A115 PolarHBondContact O-N 2.8Å; S111-A115 VanDerWaalsContact O-N 3.09Å; W113-A115 VanDerWaalsContact C-N 3.33Å; W113-A115 PolarHBondContact O-N 2.76Å; A115-T119 WeakPolarHBondContact O-CB 3.22Å; A115-T119 PolarHBondContact O-N 3.02Å; A115-T119 VanDerWaalsContact O-N 3.09Å; A115-T119 PolarHBondContact O-OG1 3.4Å
116I38.3Very low37.4Very low68 Ų68116.3 Ų116.335%0.34955%0.551SS.*Hα-helixtrans-66.8-45.4177.3-70.8165.8000110.3N112 W113 T119 F120N112-I116 WeakPolarHBondContact O-CB 3.09Å; N112-I116 VanDerWaalsContact O-CD1 3.28Å; N112-I116 WeakPolarHBondContact O-CD1 3.04Å; N112-I116 WeakPolarHBondContact O-CG1 3.45Å; N112-I116 PolarHBondContact O-N 2.04Å; W113-I116 PolarHBondContact O-N 3.18Å; I116-T119 PolarHBondContact O-N 2.76Å; I116-F120 WeakPolarHBondContact O-CB 3.33Å; I116-F120 PolarHBondContact O-N 3.46Å
117E38.4Very low37.9Very low128 Ų128110.2 Ų110.260%0.59853%0.532SS*.Hα-helixtrans-62.4-44.1179.4-169171.1-155.700111.8W113 F120 H121W113-E117 WeakPolarHBondContact O-CB 3.42Å; W113-E117 PolarHBondContact O-N 2.72Å; E117-F120 PolarHBondContact O-N 3.36Å; E117-H121 PolarHBondContact O-N 2.92Å
118K47.5Very low38.2Very low144 Ų144105.9 Ų105.963%0.62652%0.521SS*.Hα-helixtrans-60.9-46.3175.1-172.5177.6-179.9-179.80112.4E114 F120 H121 D122E114-K118 VanDerWaalsContact O-CB 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 PolarHBondContact O-N 2.86Å; K118-F120 VanDerWaalsContact C-N 3.32Å; K118-F120 PolarHBondContact O-N 2.8Å; K118-H121 PolarHBondContact O-N 2.82Å; K118-D122 PolarHBondContact O-N 2.87Å
119T41.9Very low38.6Very low82 Ų82104.5 Ų104.550%0.50351%0.513SS..Hα-helixtrans-64.7-38.4-179.2-49.10000111.4A115 I116 I123A115-T119 WeakPolarHBondContact O-CB 3.22Å; A115-T119 PolarHBondContact O-N 3.02Å; A115-T119 VanDerWaalsContact O-N 3.09Å; A115-T119 PolarHBondContact O-OG1 3.4Å; I116-T119 PolarHBondContact O-N 2.76Å; T119-I123 HydrophobicContact CG2-CD1 4.2Å; T119-I123 WeakPolarHBondContact O-CD1 3.5Å; T119-I123 VanDerWaalsContact O-CG1 3.28Å; T119-I123 WeakPolarHBondContact O-CG1 3.44Å; T119-I123 PolarHBondContact O-N 3.44Å
120F38.2Very low39Very low133 Ų133103.6 Ų103.658%0.58351%0.514SS*.Hα-helixtrans-65.6-41.8176.4-159.4-101.1000111.8I116 E117 K118 I123 I124I116-F120 WeakPolarHBondContact O-CB 3.33Å; I116-F120 PolarHBondContact O-N 3.46Å; E117-F120 PolarHBondContact O-N 3.36Å; K118-F120 VanDerWaalsContact C-N 3.32Å; K118-F120 PolarHBondContact O-N 2.8Å; F120-I123 PolarHBondContact O-N 3.5Å; F120-I124 HydrophobicContact CD1-CD1 3.59Å; F120-I124 HydrophobicContact CE1-CD1 3.4Å; F120-I124 HydrophobicContact CE1-CG1 4.48Å; F120-I124 HydrophobicContact CZ-CD1 4.2Å; F120-I124 WeakPolarHBondContact O-CG1 3.46Å; F120-I124 PolarHBondContact O-N 3.34Å
121H42.9Very low39Very low127 Ų127101.5 Ų101.559%0.58851%0.505SS*.Hα-helixtrans-65.5-40.2176.3-107.2-43.8000113.5E117 K118 I124 S125E117-H121 PolarHBondContact O-N 2.92Å; K118-H121 PolarHBondContact O-N 2.82Å; H121-I124 PolarHBondContact O-N 3.27Å; H121-S125 WeakPolarHBondContact O-CB 3.41Å; H121-S125 PolarHBondContact O-N 3.39Å; H121-S125 PolarHBondContact O-OG 3.27Å; H121-S125 VanDerWaalsContact O-OG 3.06Å
122D44.2Very low38.7Very low90 Ų90104.5 Ų104.548%0.48151%0.512SS..Hα-helixtrans-64.8-38.8177.6-75.4-15.7000111.8K118 S125 T126K118-D122 PolarHBondContact O-N 2.87Å; D122-S125 PolarHBondContact O-OG 3.05Å; D122-S125 VanDerWaalsContact O-OG 3.07Å; D122-T126 WeakPolarHBondContact O-CB 3.45Å; D122-T126 PolarHBondContact O-N 3.46Å; D122-T126 VanDerWaalsContact O-N 3.11Å; D122-T126 PolarHBondContact O-OG1 3.37Å
123I39Very low38.5Very low109 Ų109109 Ų10956%0.55953%0.528SS*.Hα-helixtrans-66.3-46.1177.8-68.5167.1000111.1T119 F120 F127T119-I123 HydrophobicContact CG2-CD1 4.2Å; T119-I123 WeakPolarHBondContact O-CD1 3.5Å; T119-I123 VanDerWaalsContact O-CG1 3.28Å; T119-I123 WeakPolarHBondContact O-CG1 3.44Å; T119-I123 PolarHBondContact O-N 3.44Å; F120-I123 PolarHBondContact O-N 3.5Å; I123-F127 WeakPolarHBondContact O-CB 3.28Å; I123-F127 PolarHBondContact O-N 2.85Å; I123-F127 VanDerWaalsContact O-N 3.09Å
124I38Very low38.1Very low64 Ų64108.8 Ų108.833%0.32854%0.536SS..Hα-helixtrans-64-47-180-69.3173.8000111F120 H121 T126 F127 Q128F120-I124 HydrophobicContact CD1-CD1 3.59Å; F120-I124 HydrophobicContact CE1-CD1 3.4Å; F120-I124 HydrophobicContact CE1-CG1 4.48Å; F120-I124 HydrophobicContact CZ-CD1 4.2Å; F120-I124 WeakPolarHBondContact O-CG1 3.46Å; F120-I124 PolarHBondContact O-N 3.34Å; H121-I124 PolarHBondContact O-N 3.27Å; I124-T126 PolarHBondContact O-N 3.11Å; I124-F127 PolarHBondContact O-N 3.4Å; I124-Q128 HydrophobicContact CG2-CG 4.29Å; I124-Q128 WeakPolarHBondContact O-CB 3.39Å; I124-Q128 WeakPolarHBondContact O-CG 3.33Å; I124-Q128 PolarHBondContact O-N 2.9Å
125S40.1Very low37.3Very low47 Ų47106.1 Ų106.133%0.32953%0.534SS..Hα-helixtrans-64.9-38.9-178.462.10000112.5H121 D122 N129H121-S125 WeakPolarHBondContact O-CB 3.41Å; H121-S125 PolarHBondContact O-N 3.39Å; H121-S125 PolarHBondContact O-OG 3.27Å; H121-S125 VanDerWaalsContact O-OG 3.06Å; D122-S125 PolarHBondContact O-OG 3.05Å; D122-S125 VanDerWaalsContact O-OG 3.07Å; S125-N129 WeakPolarHBondContact O-CB 3.26Å; S125-N129 PolarHBondContact O-N 3.41Å; S125-N129 PolarHBondContact O-ND2 2.8Å
126T39.7Very low36.5Very low80 Ų80109.4 Ų109.449%0.49154%0.543SS..Hα-helixtrans-67-40177.2-52.80000111.8D122 I124 K130D122-T126 WeakPolarHBondContact O-CB 3.45Å; D122-T126 PolarHBondContact O-N 3.46Å; D122-T126 VanDerWaalsContact O-N 3.11Å; D122-T126 PolarHBondContact O-OG1 3.37Å; I124-T126 PolarHBondContact O-N 3.11Å; T126-K130 PolarHBondContact O-N 3.47Å; T126-K130 VanDerWaalsContact O-N 3.13Å
127F34.9Very low36Very low123 Ų123112.4 Ų112.454%0.53956%0.564SS.*Hα-helixtrans-70.9-42.7179.1-159.4-94.1000111.8I123 I124 K130 K131I123-F127 WeakPolarHBondContact O-CB 3.28Å; I123-F127 PolarHBondContact O-N 2.85Å; I123-F127 VanDerWaalsContact O-N 3.09Å; I124-F127 PolarHBondContact O-N 3.4Å; F127-K130 PolarHBondContact O-N 3.05Å; F127-K131 HydrophobicContact CD1-CG 4.17Å; F127-K131 HydrophobicContact CE1-CG 3.97Å; F127-K131 HydrophobicContact CZ-CG 4.42Å; F127-K131 WeakPolarHBondContact O-CB 3.06Å; F127-K131 WeakPolarHBondContact O-CG 3.19Å; F127-K131 PolarHBondContact O-N 3.08Å
128Q32.9Very low35.3Very low126 Ų126109 Ų10959%0.58956%0.555SS**Hα-helixtrans-61.3-48.2174.6-74.5178.3-10.600111.2I124 K130 K131 H132I124-Q128 HydrophobicContact CG2-CG 4.29Å; I124-Q128 WeakPolarHBondContact O-CB 3.39Å; I124-Q128 WeakPolarHBondContact O-CG 3.33Å; I124-Q128 PolarHBondContact O-N 2.9Å; Q128-K130 PolarHBondContact O-N 3.48Å; Q128-K131 PolarHBondContact O-N 3.11Å; Q128-H132 WeakPolarHBondContact O-CB 3.4Å; Q128-H132 PolarHBondContact O-N 2.76Å
129N40Very low34.2Very low113 Ų113112.8 Ų112.860%0.60457%0.571SS**Hα-helixtrans-63.7-37.7179.4-84.5-29.4000113.7S125 K133S125-N129 WeakPolarHBondContact O-CB 3.26Å; S125-N129 PolarHBondContact O-N 3.41Å; S125-N129 PolarHBondContact O-ND2 2.8Å; N129-K133 PolarHBondContact O-N 3.07Å
130K38.3Very low33.4Very low151 Ų151113.4 Ų113.466%0.65758%0.575SS**Hα-helixtrans-69.5-39.7176.2-90.3-175.9174.61790112.7T126 F127 Q128 L134T126-K130 PolarHBondContact O-N 3.47Å; T126-K130 VanDerWaalsContact O-N 3.13Å; F127-K130 PolarHBondContact O-N 3.05Å; Q128-K130 PolarHBondContact O-N 3.48Å; K130-L134 PolarHBondContact O-N 3.49Å
131K36.4Very low32.7Very low120 Ų120114.6 Ų114.652%0.52259%0.586SS.*Hα-helixtrans-81.9-31.2-177-71.6-82.2-175.2170.90112.6F127 Q128 K133 L134 A135F127-K131 HydrophobicContact CD1-CG 4.17Å; F127-K131 HydrophobicContact CE1-CG 3.97Å; F127-K131 HydrophobicContact CZ-CG 4.42Å; F127-K131 WeakPolarHBondContact O-CB 3.06Å; F127-K131 WeakPolarHBondContact O-CG 3.19Å; F127-K131 PolarHBondContact O-N 3.08Å; Q128-K131 PolarHBondContact O-N 3.11Å; K131-K133 VanDerWaalsContact C-N 3.35Å; K131-L134 PolarHBondContact O-N 3.47Å; K131-A135 PolarHBondContact O-N 3.17Å
132H27.9Very low31.8Very low126 Ų126116.1 Ų116.158%0.58359%0.593SS**Hα-helixtrans-64.4-39.1171.9-150.7-85.3000111.3Q128 L134 A135 I136Q128-H132 WeakPolarHBondContact O-CB 3.4Å; Q128-H132 PolarHBondContact O-N 2.76Å; H132-L134 VanDerWaalsContact C-N 3.31Å; H132-L134 PolarHBondContact O-N 3.28Å; H132-A135 PolarHBondContact O-N 3.3Å; H132-I136 VanDerWaalsContact ND1-CD1 3.31Å; H132-I136 WeakPolarHBondContact ND1-CD1 3.37Å; H132-I136 WeakPolarHBondContact O-CD1 3.22Å; H132-I136 VanDerWaalsContact O-CG1 3.23Å; H132-I136 WeakPolarHBondContact O-CG1 3.38Å; H132-I136 PolarHBondContact O-N 3.06Å; H132-I136 VanDerWaalsContact O-N 3.13Å
133K32Very low30.9Very low162 Ų162118 Ų11870%0.70461%0.61SS**Hα-helixtrans-64-31.2171.9-79.3-176176.6-1760113.7N129 K131 V137N129-K133 PolarHBondContact O-N 3.07Å; K131-K133 VanDerWaalsContact C-N 3.35Å; K133-V137 WeakPolarHBondContact O-CG2 3.34Å
134L28Very low30.2Very low122 Ų122119.7 Ų119.764%0.63962%0.619SS**Hα-helixtrans-78.5-31.5175.8-81.1158.7000112.8K130 K131 H132K130-L134 PolarHBondContact O-N 3.49Å; K131-L134 PolarHBondContact O-N 3.47Å; H132-L134 VanDerWaalsContact C-N 3.31Å; H132-L134 PolarHBondContact O-N 3.28Å
135A24.3Very low29.6Very low61 Ų61122.5 Ų122.550%0.50464%0.644SS.*Hα-helixtrans-77.7-26.9178.400000113.6K131 H132 V137K131-A135 PolarHBondContact O-N 3.17Å; H132-A135 PolarHBondContact O-N 3.3Å; A135-V137 VanDerWaalsContact C-N 3.3Å; A135-V137 PolarHBondContact O-N 3.35Å
136I24.9Very low28.9Very low122 Ų122126.3 Ų126.363%0.62666%0.659SS**THydrogen-bonded Turntrans-71.8-20.7179.3-71165.5000112.9H132H132-I136 VanDerWaalsContact ND1-CD1 3.31Å; H132-I136 WeakPolarHBondContact ND1-CD1 3.37Å; H132-I136 WeakPolarHBondContact O-CD1 3.22Å; H132-I136 VanDerWaalsContact O-CG1 3.23Å; H132-I136 WeakPolarHBondContact O-CG1 3.38Å; H132-I136 PolarHBondContact O-N 3.06Å; H132-I136 VanDerWaalsContact O-N 3.13Å
137V27.2Very low28.2Very low131 Ų131134.3 Ų134.379%0.79468%0.68SS**THydrogen-bonded Turntrans-85.9-12.4-175.6-1760000112.8K133 A135K133-V137 WeakPolarHBondContact O-CG2 3.34Å; A135-V137 VanDerWaalsContact C-N 3.3Å; A135-V137 PolarHBondContact O-N 3.35Å
138S24Very low27.8Very low57 Ų57137 Ų13740%0.39969%0.688SS.*  trans-119.9118.4-177.9179.80000111.2T140S138-T140 PolarHBondContact O-N 3.39Å; S138-T140 PolarHBondContact OG-N 2.84Å; S138-T140 PolarHBondContact OG-O 3.2Å
139K24.2Very low27.6Very low223 Ų223136.1 Ų136.197%0.9769%0.687SS**SBendtrans-72.9-3.2173.8-74.2-175.4176.6-179.20113.4
140T23.7Very low27Very low95 Ų95138.9 Ų138.958%0.58369%0.694SS**  trans-122.1107.9178.829.30000109.2S138 E142S138-T140 PolarHBondContact O-N 3.39Å; S138-T140 PolarHBondContact OG-N 2.84Å; S138-T140 PolarHBondContact OG-O 3.2Å; T140-E142 VanDerWaalsContact C-N 3.35Å; T140-E142 PolarHBondContact O-N 3.19Å; T140-E142 VanDerWaalsContact O-N 3.14Å
141I24.5Very low26.6Very low158 Ų158139.4 Ų139.481%0.8170%0.699SS**  trans-8386.4172.4-57.5176000107.1
142E23.8Very low26.4Very low158 Ų158142.9 Ų142.974%0.73871%0.714SS**  trans-78.6130.7170.6-71.1-174.9168.300110.4T140 L144T140-E142 VanDerWaalsContact C-N 3.35Å; T140-E142 PolarHBondContact O-N 3.19Å; T140-E142 VanDerWaalsContact O-N 3.14Å; E142-L144 PolarHBondContact O-N 3.21Å; E142-L144 VanDerWaalsContact O-N 3.12Å
143P24.9Very low26.4Very low129 Ų129139 Ų13984%0.83870%0.704SS**  trans-69.2109176.226.2-30.9000110.4
144L24.7Very low26.3Very low145 Ų145137.3 Ų137.376%0.75971%0.709SS**  trans-87110179-159.886.9000110.6E142 I146E142-L144 PolarHBondContact O-N 3.21Å; E142-L144 VanDerWaalsContact O-N 3.12Å; L144-I146 HydrophobicContact CD2-CD1 3.63Å; L144-I146 HydrophobicContact CD2-CG1 3.79Å; L144-I146 HydrophobicContact CG-CG1 4.18Å
145C24.9Very low26.4Very low124 Ų124137.6 Ų137.684%0.83872%0.722SS**  trans-90.5113.8169.6-930000110.3
146I25.1Very low26.5Very low126 Ų126139 Ų13965%0.64673%0.733SS**  trans-108.4118.4173.9-55.5177000109.3L144L144-I146 HydrophobicContact CD2-CD1 3.63Å; L144-I146 HydrophobicContact CD2-CG1 3.79Å; L144-I146 HydrophobicContact CG-CG1 4.18Å
147R25.8Very low26.6Very low249 Ų249138 Ų13894%0.9473%0.729SS**  trans-86.5133.1166.7-97.5176.7159.5177.8-5.7109.2
148Y26.9Very low26.5Very low179 Ų179136.4 Ų136.470%0.70272%0.723SS**  trans-134.9138.6177.4-161.8-95.8000112.5A153Y148-A153 HydrophobicContact CE1-CB 3.9Å; Y148-A153 WeakPolarHBondContact OH-CB 3.43Å
149N27.2Very low26.5Very low108 Ų108141.9 Ų141.958%0.57874%0.736SS**  trans-87.7124.9-178-176.6-8.5000110.6E151N149-E151 VanDerWaalsContact C-N 3.28Å; N149-E151 PolarHBondContact O-N 3.23Å; N149-E151 PolarHBondContact OD1-N 3.06Å
150K28.6Very low26.6Very low170 Ų170138.5 Ų138.574%0.73972%0.718SS**THydrogen-bonded Turntrans-75.3-6-170.6-150.3175.5-175.6176.70114.3K152K150-K152 PolarHBondContact O-N 2.83Å
151E30.4Very low26.7Very low163 Ų163142.3 Ų142.376%0.76273%0.73SS**THydrogen-bonded Turntrans-77-11.5-172.9-71.6-172.5156.900115.6N149N149-E151 VanDerWaalsContact C-N 3.28Å; N149-E151 PolarHBondContact O-N 3.23Å; N149-E151 PolarHBondContact OD1-N 3.06Å
152K30.4Very low26.8Very low192 Ų192139 Ų13984%0.83572%0.72SS**SBendtrans-135.85.6-167.7-69.1-170.1179.2-179.90118.9K150K150-K152 PolarHBondContact O-N 2.83Å
153A28.7Very low26.9Very low46 Ų46140.5 Ų140.538%0.3872%0.724SS.*SBendtrans-145.5146-178.900000114.8Y148Y148-A153 HydrophobicContact CE1-CB 3.9Å; Y148-A153 WeakPolarHBondContact OH-CB 3.43Å
154P30.3Very low27.1Very low125 Ų125141.7 Ų141.781%0.81272%0.723SS**  trans-63.3141177.926.3-33000111.5A156P154-A156 PolarHBondContact O-N 3.38Å; P154-A156 VanDerWaalsContact O-N 3.13Å
155S29Very low27.1Very low129 Ų129137.3 Ų137.390%0.90271%0.705SS**  trans-41.3107-172.9-32.60000113.8
156A26.4Very low27.1Very low90 Ų90143.2 Ų143.274%0.74471%0.709SS**  trans-112.4113.1165.300000108.6P154P154-A156 PolarHBondContact O-N 3.38Å; P154-A156 VanDerWaalsContact O-N 3.13Å
157L27.2Very low27.1Very low102 Ų102142.3 Ų142.353%0.53471%0.711SS.*  trans-63132.3174-81.3126.3000110.8L172L157-L172 HydrophobicContact CD2-CD2 4.31Å
158S25.5Very low27Very low97 Ų97141.8 Ų141.868%0.67871%0.71SS**  trans-108.8134.6174.8-59.30000110
159Y25.1Very low26.8Very low171 Ų171140.4 Ų140.467%0.67171%0.707SS**  trans-104.6135.8-178.5-62.5-91.7000110.6
160Y25.9Very low26.5Very low152 Ų152139.1 Ų139.160%0.59671%0.712SS**  trans-106.8132.7171.7-65.2-85.7000110.1
161Q25.3Very low26.3Very low176 Ų176137.9 Ų137.982%0.82271%0.706SS**  trans-111.4124.5171.3-178.9179.110.900108.5
162C26Very low26.1Very low89 Ų89136.4 Ų136.460%0.60170%0.703SS**  trans-79131.7167.7-67.10000109.5D164 S165C162-D164 PolarHBondContact O-N 3.08Å; C162-S165 PolarHBondContact O-N 2.75Å; C162-S165 PolarHBondContact O-OG 2.87Å
163K27.5Very low25.8Very low189 Ų189130.9 Ų130.982%0.82269%0.688SS**THydrogen-bonded Turntrans-51.7136.8163.9-157.1175.5179.3-178.10108.3
164D27.7Very low25.7Very low154 Ų154137 Ų13782%0.82471%0.709SS**THydrogen-bonded Turntrans74.614.1177.7-46.4-43.6000118.2C162 R166C162-D164 PolarHBondContact O-N 3.08Å; D164-R166 PolarHBondContact O-N 3.27Å
165S24.3Very low25.6Very low53 Ų53135.8 Ų135.837%0.37170%0.702SS.*  trans-89.993.117259.90000113.1C162C162-S165 PolarHBondContact O-N 2.75Å; C162-S165 PolarHBondContact O-OG 2.87Å
166R25Very low25.5Very low247 Ų247134.3 Ų134.393%0.93268%0.684SS**  trans-111.8145.1167.4-70.3-171.3179.5-167.31.7111.2D164D164-R166 PolarHBondContact O-N 3.27Å
167P26.5Very low25.4Very low107 Ų107137 Ų13770%0.69569%0.691SS**SBendcis-102.5136-31.738.3-25.4000109.6
168W22.1Very low25.4Very low238 Ų238140.3 Ų140.390%0.90270%0.704SS**SBendtrans73.169.4170-45.392.3000119.1
169K23.5Very low25.4Very low150 Ų150141.2 Ų141.265%0.65270%0.699SS**  trans-14882.1149.8-65.7-169.7-177.5167.30111.5F171K169-F171 HydrophobicContact CB-CD2 4.36Å; K169-F171 HydrophobicContact CB-CE2 3.67Å; K169-F171 HydrophobicContact CB-CZ 3.78Å; K169-F171 HydrophobicContact CD-CZ 3.95Å; K169-F171 HydrophobicContact CG-CZ 4.39Å; K169-F171 WeakPolarHBondContact O-CD2 2.87Å
170A22.2Very low25.4Very low81 Ų81137.4 Ų137.467%0.66969%0.694SS**PPolyproline II helixtrans-71.7127.6157.500000107.4
171F24Very low25.5Very low144 Ų144132.8 Ų132.863%0.63268%0.684SS**PPolyproline II helixtrans-100.3127.6175.6-65.2-87.2000108.6K169 C173K169-F171 HydrophobicContact CB-CD2 4.36Å; K169-F171 HydrophobicContact CB-CE2 3.67Å; K169-F171 HydrophobicContact CB-CZ 3.78Å; K169-F171 HydrophobicContact CD-CZ 3.95Å; K169-F171 HydrophobicContact CG-CZ 4.39Å; K169-F171 WeakPolarHBondContact O-CD2 2.87Å; F171-C173 PolarHBondContact O-N 3.48Å
172L24.7Very low25.4Very low133 Ų133132.3 Ų132.370%0.69668%0.681SS**PPolyproline II helixtrans-71.9116.8163.2-95.1101.6000108L157L157-L172 HydrophobicContact CD2-CD2 4.31Å
173C25.9Very low25.4Very low75 Ų75133.8 Ų133.851%0.50768%0.682SS.*  trans-108.1104.9159.9-84.90000107.7F171 C175F171-C173 PolarHBondContact O-N 3.48Å; C173-C175 PolarHBondContact O-N 2.88Å
174E26Very low25.3Very low176 Ų176133.3 Ų133.382%0.82268%0.683SS**  trans-79.895.7163.7-165174.2-159.200107
175C27.7Very low25.3Very low99 Ų99132 Ų13267%0.66967%0.67SS**  trans-91101.6172.6-67.10000108.1C173 V177C173-C175 PolarHBondContact O-N 2.88Å; C175-V177 PolarHBondContact O-N 2.76Å
176D26.4Very low25.4Very low97 Ų97134.7 Ų134.752%0.51969%0.686SS.*  trans-66126.6166.8-113.2-21.4000108.9E178 I179D176-E178 PolarHBondContact O-N 3.09Å; D176-I179 HydrophobicContact CB-CG1 4.34Å; D176-I179 PolarHBondContact O-N 3.04Å
177V25.3Very low25.4Very low147 Ų147127.3 Ų127.389%0.89167%0.671SS**THydrogen-bonded Turntrans-70.60-176.1-165.40000111.6C175C175-V177 PolarHBondContact O-N 2.76Å
178E26.2Very low25.3Very low172 Ų172128.1 Ų128.180%0.80467%0.674SS**THydrogen-bonded Turntrans-105.214.5174.5-75.4-173158.200114.3D176 T180D176-E178 PolarHBondContact O-N 3.09Å; E178-T180 PolarHBondContact O-N 3.23Å; E178-T180 PolarHBondContact O-OG1 2.74Å
179I26.9Very low25.5Very low115 Ų115122.2 Ų122.259%0.5965%0.652SS**  trans-76.570.4167-50.5173.6000109.7D176D176-I179 HydrophobicContact CB-CG1 4.34Å; D176-I179 PolarHBondContact O-N 3.04Å
180T24.9Very low25.6Very low92 Ų92124.5 Ų124.556%0.56466%0.657SS**  -58.3122.8124.934.20000105.8E178 E182E178-T180 PolarHBondContact O-N 3.23Å; E178-T180 PolarHBondContact O-OG1 2.74Å; T180-E182 PolarHBondContact O-N 2.81Å
181C27.3Very low25.7Very low55 Ų55128 Ų12837%0.37266%0.659SS.*  trans-63.360.6176.6-69.70000112.5I183 R242C181-I183 PolarHBondContact O-N 3.08Å; C181-I183 VanDerWaalsContact O-N 3.14Å; C181-R242 PolarHBondContact O-NH2 3.39Å
182E23Very low25.7Very low165 Ų165127.4 Ų127.477%0.77166%0.662SS**  trans-78.176.4162.7-73.5-170.5165.600107.9T180T180-E182 PolarHBondContact O-N 2.81Å
183I27.4Very low26.1Very low121 Ų121123.9 Ų123.962%0.62166%0.658SS**  trans-121.767.9159.8-56.1-175000106.5C181 K185C181-I183 PolarHBondContact O-N 3.08Å; C181-I183 VanDerWaalsContact O-N 3.14Å; I183-K185 HydrophobicContact CG2-CB 3.48Å; I183-K185 VanDerWaalsContact CG2-CB 3.48Å; I183-K185 HydrophobicContact CG2-CD 4.04Å; I183-K185 HydrophobicContact CG2-CG 3.67Å; I183-K185 PolarHBondContact O-N 2.84Å; I183-K185 VanDerWaalsContact O-N 3.09Å
184E25.1Very low25.9Very low178 Ų178128.6 Ų128.683%0.83268%0.678SS**  trans-66.269.3135.5-71.7-175.4167.300107.6
185K27.1Very low25.7Very low127 Ų127125.9 Ų125.955%0.55267%0.668SS**  trans-105124.5160.9-72.4-175.4-178.4179.50107.1I183 C187I183-K185 HydrophobicContact CG2-CB 3.48Å; I183-K185 VanDerWaalsContact CG2-CB 3.48Å; I183-K185 HydrophobicContact CG2-CD 4.04Å; I183-K185 HydrophobicContact CG2-CG 3.67Å; I183-K185 PolarHBondContact O-N 2.84Å; I183-K185 VanDerWaalsContact O-N 3.09Å; K185-C187 PolarHBondContact O-N 3.02Å; K185-C187 VanDerWaalsContact O-N 3.09Å
186P26Very low25.4Very low110 Ų110125.7 Ų125.771%0.71467%0.667SS**  trans-57.2119178.722.2-31.3000108.9T188P186-T188 PolarHBondContact O-N 3.19Å
187C24.6Very low25.4Very low92 Ų92128.9 Ų128.962%0.62268%0.678SS**  trans-62.992.5163.1-72.30000107.3K185 Y189K185-C187 PolarHBondContact O-N 3.02Å; K185-C187 VanDerWaalsContact O-N 3.09Å; C187-Y189 HydrophobicContact CB-CD2 4.41Å; C187-Y189 HydrophobicContact CB-CE2 3.92Å; C187-Y189 WeakPolarHBondContact O-CD2 3.46Å; C187-Y189 PolarHBondContact O-N 3.3Å; C187-Y189 VanDerWaalsContact O-N 3.07Å
188T26.1Very low25.4Very low123 Ų123126.6 Ų126.676%0.75567%0.666SS**  trans-75.193.2168.846.80000107.9P186 R190P186-T188 PolarHBondContact O-N 3.19Å; T188-R190 PolarHBondContact O-N 3.03Å
189Y25Very low25.3Very low114 Ų114121.9 Ų121.945%0.44766%0.657SS.*  trans-63.7126.2166.8-63.9-85.6000108.7C187 C221C187-Y189 HydrophobicContact CB-CD2 4.41Å; C187-Y189 HydrophobicContact CB-CE2 3.92Å; C187-Y189 WeakPolarHBondContact O-CD2 3.46Å; C187-Y189 PolarHBondContact O-N 3.3Å; C187-Y189 VanDerWaalsContact O-N 3.07Å; Y189-C221 PolarHBondContact OH-O 2.78Å
190R26.1Very low25.4Very low198 Ų198121.5 Ų121.575%0.74767%0.671SS**  trans-89.9108.6165-80.5-174.9170-174.7-3.7107.3T188 L192T188-R190 PolarHBondContact O-N 3.03Å; R190-L192 PolarHBondContact O-N 2.84Å
191H23.9Very low25.4Very low155 Ų155127 Ų12772%0.71868%0.683SS**  trans-67.7114.5164.3-81-87.1000108.7
192L23.8Very low25.5Very low131 Ų131133.8 Ų133.869%0.68671%0.706SS**BIsolated β-bridgetrans-110.771.3163.5-81.8163.2000107R190 D194R190-L192 PolarHBondContact O-N 2.84Å; L192-D194 PolarHBondContact O-N 3.21Å
193G33.9Very low25.7Very low59 Ų59132.5 Ų132.561%0.60869%0.694SS**THydrogen-bonded Turntrans63.5-131.3-174.500000112.7I195G193-I195 VanDerWaalsContact C-N 3.32Å; G193-I195 PolarHBondContact O-N 2.74Å
194D21.8Very low25.8Very low174 Ų174129.7 Ų129.793%0.9368%0.684SS**THydrogen-bonded Turntrans-84.24.4-175.3-62-36.7000114.6L192L192-D194 PolarHBondContact O-N 3.21Å
195I21.8Very low25.9Very low120 Ų120126.2 Ų126.262%0.61568%0.68SS**BIsolated β-bridgetrans-114.1112.7-175.7-56.5176.4000109.8G193G193-I195 VanDerWaalsContact C-N 3.32Å; G193-I195 PolarHBondContact O-N 2.74Å
196C21.8Very low25.9Very low95 Ų95122.5 Ų122.564%0.64267%0.672SS**  trans-88.6101.3168.1-76.20000109.6
197E25.2Very low26Very low163 Ų163119 Ų11976%0.76265%0.653SS**PPolyproline II helixtrans-81.8122163.8-83.2-172.2157.500109.6A199E197-A199 PolarHBondContact O-N 2.7Å
198P25.1Very low26.2Very low99 Ų99117.8 Ų117.864%0.64365%0.649SS**PPolyproline II helixtrans-61.4135.2168.525.9-30.9000108.3A200P198-A200 PolarHBondContact O-N 3.23Å
199A25.7Very low26.3Very low74 Ų74115 Ų11561%0.61265%0.645SS**PPolyproline II helixtrans-52.3133.6169.500000108.3E197 Y201E197-A199 PolarHBondContact O-N 2.7Å; A199-Y201 HydrophobicContact CB-CD2 3.99Å; A199-Y201 HydrophobicContact CB-CE2 4.25Å; A199-Y201 PolarHBondContact O-N 2.97Å
200A27.6Very low26.7Very low107 Ų107114 Ų11488%0.88465%0.65SS**SBendtrans-66.355.7179.200000112.5P198P198-A200 PolarHBondContact O-N 3.23Å
201Y26Very low27Very low208 Ų208107.2 Ų107.282%0.81663%0.633SS**  trans-89.2107.9150.5-65.7-77.7000104.6A199 W203A199-Y201 HydrophobicContact CB-CD2 3.99Å; A199-Y201 HydrophobicContact CB-CE2 4.25Å; A199-Y201 PolarHBondContact O-N 2.97Å; Y201-W203 PolarHBondContact O-N 3.23Å
202K28.7Very low27.4Very low196 Ų196105.3 Ų105.385%0.85263%0.634SS**  trans-52.2101.6155.5-72.8179179.2177.30104.6P204K202-P204 VanDerWaalsContact C-N 3.3Å; K202-P204 WeakPolarHBondContact O-CD 3.46Å
203W27.3Very low28.1Very low138 Ų138101 Ų10152%0.52362%0.617SS.*  trans-52.4111.2154.3-144.361.2000102.9Y201 S205 C216 P220Y201-W203 PolarHBondContact O-N 3.23Å; W203-S205 PolarHBondContact O-N 3.14Å; W203-C216 HydrophobicContact CH2-CB 4.2Å; W203-C216 HydrophobicContact CZ2-CB 4.3Å; W203-P220 HydrophobicContact CZ2-CG 3.87Å
204P29.9Very low28.2Very low62 Ų62100.3 Ų100.340%0.40360%0.599SS.*  trans-70.3109.4169.56.212.9000100.6K202 A206 A207K202-P204 VanDerWaalsContact C-N 3.3Å; K202-P204 WeakPolarHBondContact O-CD 3.46Å; P204-A206 VanDerWaalsContact CA-N 3.31Å; P204-A206 HydrophobicContact CB-CB 3.52Å; P204-A206 PolarHBondContact O-N 3.06Å; P204-A207 HydrophobicContact CB-CB 4.37Å; P204-A207 HydrophobicContact CG-CB 4.1Å; P204-A207 WeakPolarHBondContact O-CB 2.88Å; P204-A207 PolarHBondContact O-N 3.22Å
205S27.2Very low29.1Very low106 Ų10698.1 Ų98.174%0.74158%0.584SS**Hα-helixtrans-44.7-19.3140.438.90000110.6W203W203-S205 PolarHBondContact O-N 3.14Å
206A26.9Very low30Very low48 Ų4895 Ų9540%0.39757%0.571SS.*Hα-helixtrans-68.7-15.7162.200000116.9P204 A208 G209 V210P204-A206 VanDerWaalsContact CA-N 3.31Å; P204-A206 HydrophobicContact CB-CB 3.52Å; P204-A206 PolarHBondContact O-N 3.06Å; A206-A208 VanDerWaalsContact C-N 3.35Å; A206-G209 CarbonylContact O-C 3.44Å; A206-G209 WeakPolarHBondContact O-CA 3.31Å; A206-G209 PolarHBondContact O-N 2.04Å; A206-G209 VanDerWaalsContact O-N 3.07Å; A206-V210 HydrophobicContact CB-CG2 4.21Å; A206-V210 WeakPolarHBondContact O-CA 3.47Å; A206-V210 WeakPolarHBondContact O-CB 3.32Å; A206-V210 WeakPolarHBondContact O-CG2 3.06Å; A206-V210 PolarHBondContact O-N 3.15Å
207A28.3Very low31.2Very low38 Ų3894.8 Ų94.831%0.31457%0.568SS.*Hα-helixtrans-72.6-32.3176.500000110.9P204 G209 C211P204-A207 HydrophobicContact CB-CB 4.37Å; P204-A207 HydrophobicContact CG-CB 4.1Å; P204-A207 WeakPolarHBondContact O-CB 2.88Å; P204-A207 PolarHBondContact O-N 3.22Å; A207-G209 VanDerWaalsContact C-N 3.31Å; A207-C211 WeakPolarHBondContact O-CA 3.39Å; A207-C211 WeakPolarHBondContact O-CB 3.05Å; A207-C211 PolarHBondContact O-N 2.76Å
208A28.8Very low32Very low66 Ų6688.3 Ų88.355%0.54554%0.54SS..Hα-helixtrans-69.6-27.6166.400000112.4A206A206-A208 VanDerWaalsContact C-N 3.35Å
209G28.4Very low32.9Very low64 Ų6486.9 Ų86.966%0.6653%0.527SS*.Hα-helixtrans-86.4-21174.900000115.4A206 A207A206-G209 CarbonylContact O-C 3.44Å; A206-G209 WeakPolarHBondContact O-CA 3.31Å; A206-G209 PolarHBondContact O-N 2.04Å; A206-G209 VanDerWaalsContact O-N 3.07Å; A207-G209 VanDerWaalsContact C-N 3.31Å
210V32.8Very low33.5Very low92 Ų9285.5 Ų85.556%0.55851%0.512SS*.Hα-helixtrans-106.2-19.8-173.7174.10000110.9A206A206-V210 HydrophobicContact CB-CG2 4.21Å; A206-V210 WeakPolarHBondContact O-CA 3.47Å; A206-V210 WeakPolarHBondContact O-CB 3.32Å; A206-V210 WeakPolarHBondContact O-CG2 3.06Å; A206-V210 PolarHBondContact O-N 3.15Å
211C31.5Very low33.7Very low57 Ų5783.2 Ų83.239%0.38549%0.489SS..  trans-132.384.5170.7-73.80000108.8A207 A213 L214A207-C211 WeakPolarHBondContact O-CA 3.39Å; A207-C211 WeakPolarHBondContact O-CB 3.05Å; A207-C211 PolarHBondContact O-N 2.76Å; C211-A213 PolarHBondContact O-N 3.3Å; C211-L214 HydrophobicContact CB-CD1 3.95Å; C211-L214 HydrophobicContact CB-CG 4.35Å; C211-L214 PolarHBondContact O-N 3.41Å
212P33.4Very low34.3Very low115 Ų11578.4 Ų78.475%0.74747%0.474SS*.THydrogen-bonded Turntrans-59.2-11.6178.624.3-34.1000113.3
213A38.1Very low34.6Very low39 Ų3969.6 Ų69.632%0.32244%0.438SS..THydrogen-bonded Turntrans-81.3-4.4177.800000115.3C211 N271C211-A213 PolarHBondContact O-N 3.3Å; A213-N271 HydrophobicContact CB-CB 4.13Å; A213-N271 PolarHBondContact O-N 3.47Å
214L36.1Very low35.5Very low45 Ų4567 Ų6724%0.23644%0.437CS..EExtended strand (participates in β ladder)trans-113.3115.9-179.4-72.7169.9000110.8C211 V270C211-L214 HydrophobicContact CB-CD1 3.95Å; C211-L214 HydrophobicContact CB-CG 4.35Å; C211-L214 PolarHBondContact O-N 3.41Å; L214-V270 HydrophobicContact CD2-CB 4.32Å; L214-V270 HydrophobicContact CD2-CG1 4.21Å; L214-V270 HydrophobicContact CD2-CG2 3.82Å
215Q40.2Very low36.4Very low129 Ų12972 Ų7260%0.60346%0.455SS*.EExtended strand (participates in β ladder)trans-115.7122.1172.1-65.2178.9-7.500108.7L269Q215-L269 HydrophobicContact CB-CB 4.29Å; Q215-L269 PolarHBondContact N-O 2.88Å; Q215-L269 PolarHBondContact O-N 3.07Å
216C41.4Very low37.7Very low53 Ų5370.6 Ų70.636%0.35843%0.433SS..EExtended strand (participates in β ladder)trans-118.6131176.8-63.30000108.5W203W203-C216 HydrophobicContact CH2-CB 4.2Å; W203-C216 HydrophobicContact CZ2-CB 4.3Å
217T47.5Very low38.9Very low92 Ų9272.3 Ų72.356%0.56444%0.439SS*.SBendtrans-94.6-5.4178.251.60000113.6T267T217-T267 VanDerWaalsContact CG2-OG1 3.29Å; T217-T267 WeakPolarHBondContact CG2-OG1 3.36Å; T217-T267 PolarHBondContact N-O 3.15Å; T217-T267 PolarHBondContact OG1-N 2.63Å; T217-T267 PolarHBondContact OG1-O 3.09Å; T217-T267 PolarHBondContact OG1-OG1 2.75Å
218C41.1Very low40Very low26 Ų2672.1 Ų72.118%0.17644%0.435CS..SBendtrans-140160.1-176.7-71.30000114.4P220 C266C218-P220 VanDerWaalsContact O-CD 3.29Å; C218-P220 WeakPolarHBondContact O-CD 3.46Å; C218-C266 HydrophobicContact CB-CB 3.49Å; C218-C266 VanDerWaalsContact CB-CB 3.49Å; C218-C266 WeakPolarHBondContact CB-SG 3.16Å; C218-C266 WeakPolarHBondContact SG-CA 3.29Å; C218-C266 WeakPolarHBondContact SG-CB 3.23Å; C218-C266 CovalentContact SG-SG 2.02Å; C218-C266 PolarHBondContact SG-SG 3.32Å
219N43.7Very low41.1Very low69 Ų6975.7 Ų75.737%0.36944%0.435SS..  trans-70.3110.5173.1-174.43000111.2C221 E222 R244N219-C221 PolarHBondContact O-N 2.84Å; N219-C221 VanDerWaalsContact O-N 3.09Å; N219-C221 VanDerWaalsContact OD1-CB 3.23Å; N219-C221 WeakPolarHBondContact OD1-CB 3.38Å; N219-C221 PolarHBondContact OD1-N 2.82Å; N219-C221 VanDerWaalsContact OD1-N 3.15Å; N219-C221 PolarHBondContact OD1-SG 3.28Å; N219-E222 HydrophobicContact CB-CG 4.43Å; N219-E222 PolarHBondContact ND2-OE1 2.65Å; N219-E222 PolarHBondContact O-N 3.04Å; N219-R244 PolarHBondContact O-NH2 3.24Å
220P38.9Very low42.1Very low46 Ų4674.8 Ų74.830%0.29942%0.416SS..G310 helixtrans-65.3-15.2-179.424.4-29.4000113.1W203 C218 E222W203-P220 HydrophobicContact CZ2-CG 3.87Å; C218-P220 VanDerWaalsContact O-CD 3.29Å; C218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-E222 VanDerWaalsContact C-N 3.26Å; P220-E222 PolarHBondContact O-N 3.45Å
221C32.3Very low43.3Very low59 Ų5975.3 Ų75.340%0.39941%0.413SS..G310 helixtrans-73.4-8179.4-59.70000114.6Y189 N219Y189-C221 PolarHBondContact OH-O 2.78Å; N219-C221 PolarHBondContact O-N 2.84Å; N219-C221 VanDerWaalsContact O-N 3.09Å; N219-C221 VanDerWaalsContact OD1-CB 3.23Å; N219-C221 WeakPolarHBondContact OD1-CB 3.38Å; N219-C221 PolarHBondContact OD1-N 2.82Å; N219-C221 VanDerWaalsContact OD1-N 3.15Å; N219-C221 PolarHBondContact OD1-SG 3.28Å
222E36.8Very low44.4Very low107 Ų10776.5 Ų76.550%0.542%0.418SS..G310 helixtrans-100.8-19.5-170.7-80.7167-161.400116.1N219 P220 R248N219-E222 HydrophobicContact CB-CG 4.43Å; N219-E222 PolarHBondContact ND2-OE1 2.65Å; N219-E222 PolarHBondContact O-N 3.04Å; P220-E222 VanDerWaalsContact C-N 3.26Å; P220-E222 PolarHBondContact O-N 3.45Å; E222-R248 PolarHBondContact O-NE 3.05Å; E222-R248 PolarHBondContact O-NH2 2.92Å; E222-R248 VanDerWaalsContact O-NH2 3.11Å
223A35.3Very low45.2Very low11 Ų1172.5 Ų72.59%0.09140%0.395CS..  trans-156.6139.1-161.500000116.3R244A223-R244 PolarHBondContact O-NH1 3.4Å
224T46.4Very low45.9Very low82 Ų8275.9 Ų75.950%0.50341%0.412SS..  trans19.3148.9145.739.60000121.1W226T224-W226 PolarHBondContact O-N 3.1Å
225Q48.8Very low46.7Very low167 Ų16775 Ų7578%0.7841%0.409SS*.  trans-47.9136171.1-69.1176-16.400110.6T227Q225-T227 PolarHBondContact O-N 3.06Å
226W54.8Low47Very low77 Ų7769.3 Ų69.329%0.29239%0.385SS..  trans-56.1128.5173.8-64.597.8000109.6T224 R242 R244 Q268T224-W226 PolarHBondContact O-N 3.1Å; W226-R242 HydrophobicContact CB-CB 4.33Å; W226-R242 HydrophobicContact CD2-CB 3.77Å; W226-R242 HydrophobicContact CE3-CB 3.43Å; W226-R242 VanDerWaalsContact CE3-CB 3.43Å; W226-R242 HydrophobicContact CG-CB 4.17Å; W226-R242 HydrophobicContact CZ3-CB 3.98Å; W226-R244 HydrophobicContact CE3-CB 4.21Å; W226-R244 HydrophobicContact CE3-CG 4.1Å; W226-R244 HydrophobicContact CZ3-CG 4.01Å; W226-Q268 HydrophobicContact CH2-CB 3.59Å; W226-Q268 HydrophobicContact CZ2-CB 4.15Å; W226-Q268 HydrophobicContact CZ3-CB 3.96Å
227T52.6Low47.4Very low85 Ų8572.1 Ų72.152%0.52140%0.403SS..  trans-85.7-22.3-168.450.50000113.2Q225 L243Q225-T227 PolarHBondContact O-N 3.06Å; T227-L243 PolarHBondContact N-O 3.45Å; T227-L243 PolarHBondContact OG1-O 3.05Å
228S50.6Low47.3Very low33 Ų3367.9 Ų67.923%0.23138%0.377CS..EExtended strand (participates in β ladder)trans-156.8147.6-178.156.90000112.3R242 L243 C254S228-R242 WeakPolarHBondContact O-CA 2.96Å; S228-L243 PolarHBondContact O-N 2.88Å; S228-C254 PolarHBondContact OG-O 3.4Å
229W53.4Low47.9Very low141 Ų14169.2 Ų69.253%0.53438%0.382SS..EExtended strand (participates in β ladder)trans-111.7132.8168.5-76.4100.4000108.9S240 Y241 R242W229-S240 VanDerWaalsContact CZ3-OG 3.26Å; W229-S240 WeakPolarHBondContact CZ3-OG 3.08Å; W229-Y241 WeakPolarHBondContact CA-O 3.47Å; W229-R242 HydrophobicContact CD2-CG 3.7Å; W229-R242 VanDerWaalsContact CE2-NE 3.28Å; W229-R242 HydrophobicContact CE3-CG 3.39Å; W229-R242 HydrophobicContact CH2-CG 4.31Å; W229-R242 HydrophobicContact CZ2-CG 4.48Å; W229-R242 HydrophobicContact CZ3-CG 3.7Å
230V49.4Very low48.5Very low46 Ų4666 Ų6628%0.27937%0.365SS..EExtended strand (participates in β ladder)trans-131.5143.9166-158.40000110.7S240 Y241 L256V230-S240 CarbonylContact O-C 3.56Å; V230-S240 WeakPolarHBondContact O-CA 3.45Å; V230-S240 PolarHBondContact O-OG 2.82Å; V230-Y241 PolarHBondContact N-O 2.86Å; V230-Y241 PolarHBondContact O-N 2.85Å; V230-L256 HydrophobicContact CB-CD1 3.57Å; V230-L256 HydrophobicContact CB-CG 4.09Å; V230-L256 HydrophobicContact CG1-CD1 3.21Å; V230-L256 HydrophobicContact CG1-CG 4.25Å; V230-L256 HydrophobicContact CG2-CD1 3.71Å; V230-L256 HydrophobicContact CG2-CG 3.98Å
231Q56.3Low49.2Very low103 Ų10366.2 Ų66.248%0.48136%0.36SS..EExtended strand (participates in β ladder)trans-121.2140.1-179.5-67.3178-1500109.5I239Q231-I239 CarbonylContact C-O 3.53Å; Q231-I239 WeakPolarHBondContact CA-O 3.48Å
232T56Low50.6Low81 Ų8164.4 Ų64.450%0.49735%0.345SS..SBendtrans-80.3-14.1177.559.40000114.1I239 Y241T232-I239 HydrophobicContact CG2-CB 3.8Å; T232-I239 PolarHBondContact N-O 2.89Å; T232-I239 PolarHBondContact OG1-N 2.71Å; T232-Y241 HydrophobicContact CG2-CE2 3.64Å
233A50.3Low51.8Low31 Ų3159.3 Ų59.326%0.25632%0.321SS..  trans-149.6163.1-179.100000111.8A238 L274A233-A238 HydrophobicContact CB-CB 3.95Å; A233-L274 WeakPolarHBondContact O-CD1 3.46Å
234T52.8Low53.1Low110 Ų11059 Ų5968%0.67532%0.318SS*.SBendtrans-105.8-6.1179.861.80000114K280T234-K280 PolarHBondContact O-NZ 2.84Å
235C51.8Low53.8Low27 Ų2755.6 Ų55.618%0.18230%0.297CS..SBendtrans-160.8163.7172.256.80000108.2C277C235-C277 HydrophobicContact CB-CB 3.94Å; C235-C277 WeakPolarHBondContact CB-SG 3.04Å; C235-C277 VanDerWaalsContact SG-CA 3.56Å; C235-C277 WeakPolarHBondContact SG-CB 3.44Å; C235-C277 CovalentContact SG-SG 2.04Å; C235-C277 PolarHBondContact SG-SG 2.68Å
236G46.6Very low54.3Low10 Ų1051.4 Ų51.410%0.10328%0.278CS..SBendtrans73-162.7-176.400000113.4A238 L274 G275G236-A238 PolarHBondContact O-N 3.07Å; G236-L274 PolarHBondContact O-N 3.43Å; G236-G275 VanDerWaalsContact CA-O 3.32Å; G236-G275 WeakPolarHBondContact CA-O 2.9Å; G236-G275 PolarHBondContact N-O 3.27Å
237P49.9Very low54.5Low111 Ų11153.8 Ų53.872%0.72130%0.296SS*.EExtended strand (participates in β ladder)trans-60.3122.3173-20.433000110.8
238A46.1Very low54.3Low4 Ų457.3 Ų57.33%0.03330%0.3CS..EExtended strand (participates in β ladder)trans-128.6148.8176.400000109.9A233 G236 I272 L274A233-A238 HydrophobicContact CB-CB 3.95Å; G236-A238 PolarHBondContact O-N 3.07Å; A238-I272 HydrophobicContact CB-CG2 3.99Å; A238-I272 PolarHBondContact N-O 3.02Å; A238-I272 WeakPolarHBondContact O-CG2 3.04Å; A238-I272 PolarHBondContact O-N 2.91Å; A238-L274 HydrophobicContact CB-CD1 3.53Å; A238-L274 HydrophobicContact CB-CG 3.82Å
239I53.5Low54.4Low53 Ų5357.4 Ų57.427%0.27230%0.301SS..EExtended strand (participates in β ladder)trans-100.6124.2168.1-55.7179.2000105.9Q231 T232 Y241 L269Q231-I239 CarbonylContact C-O 3.53Å; Q231-I239 WeakPolarHBondContact CA-O 3.48Å; T232-I239 HydrophobicContact CG2-CB 3.8Å; T232-I239 PolarHBondContact N-O 2.89Å; T232-I239 PolarHBondContact OG1-N 2.71Å; I239-Y241 HydrophobicContact CB-CE2 4.26Å; I239-Y241 HydrophobicContact CG2-CD2 4.39Å; I239-Y241 HydrophobicContact CG2-CE1 4.05Å; I239-Y241 HydrophobicContact CG2-CE2 3.82Å; I239-L269 HydrophobicContact CG2-CD1 3.79Å; I239-L269 HydrophobicContact CG2-CD2 3.83Å; I239-L269 HydrophobicContact CG2-CG 3.53Å
240S55.6Low54.3Low3 Ų357.9 Ų57.92%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-104125.8172.3-1600000110.2W229 V230 V270W229-S240 VanDerWaalsContact CZ3-OG 3.26Å; W229-S240 WeakPolarHBondContact CZ3-OG 3.08Å; V230-S240 CarbonylContact O-C 3.56Å; V230-S240 WeakPolarHBondContact O-CA 3.45Å; V230-S240 PolarHBondContact O-OG 2.82Å; S240-V270 PolarHBondContact N-O 3.14Å; S240-V270 PolarHBondContact O-N 2.95Å
241Y54.6Low54.5Low49 Ų4964.5 Ų64.519%0.19235%0.347CS..EExtended strand (participates in β ladder)trans-99.7133.9174.4-57.8-87.4000109W229 V230 T232 I239 L256 I259 Q268 L269W229-Y241 WeakPolarHBondContact CA-O 3.47Å; V230-Y241 PolarHBondContact N-O 2.86Å; V230-Y241 PolarHBondContact O-N 2.85Å; T232-Y241 HydrophobicContact CG2-CE2 3.64Å; I239-Y241 HydrophobicContact CB-CE2 4.26Å; I239-Y241 HydrophobicContact CG2-CD2 4.39Å; I239-Y241 HydrophobicContact CG2-CE1 4.05Å; I239-Y241 HydrophobicContact CG2-CE2 3.82Å; Y241-L256 HydrophobicContact CD2-CD2 3.87Å; Y241-L256 HydrophobicContact CE2-CD2 4.03Å; Y241-L256 HydrophobicContact CG-CD2 4.29Å; Y241-I259 HydrophobicContact CD1-CD1 3.84Å; Y241-I259 HydrophobicContact CE1-CD1 4.34Å; Y241-I259 HydrophobicContact CG-CD1 4.17Å; Y241-Q268 WeakPolarHBondContact CA-O 3.07Å; Y241-L269 HydrophobicContact CE1-CD1 3.85Å; Y241-L269 HydrophobicContact CE1-CG 4.45Å
242R60.1Low54.6Low21 Ų2161.6 Ų61.68%0.07934%0.336CS..EExtended strand (participates in β ladder)trans-113.1137.9158.7-59.3-175.9-177.3173.5-1.8109.7C181 W226 S228 W229 T267 Q268C181-R242 PolarHBondContact O-NH2 3.39Å; W226-R242 HydrophobicContact CB-CB 4.33Å; W226-R242 HydrophobicContact CD2-CB 3.77Å; W226-R242 HydrophobicContact CE3-CB 3.43Å; W226-R242 VanDerWaalsContact CE3-CB 3.43Å; W226-R242 HydrophobicContact CG-CB 4.17Å; W226-R242 HydrophobicContact CZ3-CB 3.98Å; S228-R242 WeakPolarHBondContact O-CA 2.96Å; W229-R242 HydrophobicContact CD2-CG 3.7Å; W229-R242 VanDerWaalsContact CE2-NE 3.28Å; W229-R242 HydrophobicContact CE3-CG 3.39Å; W229-R242 HydrophobicContact CH2-CG 4.31Å; W229-R242 HydrophobicContact CZ2-CG 4.48Å; W229-R242 HydrophobicContact CZ3-CG 3.7Å; R242-T267 WeakPolarHBondContact O-CA 3.47Å; R242-Q268 HydrophobicContact CB-CB 4.26Å; R242-Q268 PolarHBondContact N-O 3.03Å; R242-Q268 PolarHBondContact O-N 2.8Å
243L62Low54.9Low1 Ų162.4 Ų62.41%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-123148.3-177.3-51.9173.7000109.8T227 S228 C254 G255 I259 C266 T267T227-L243 PolarHBondContact N-O 3.45Å; T227-L243 PolarHBondContact OG1-O 3.05Å; S228-L243 PolarHBondContact O-N 2.88Å; L243-C254 HydrophobicContact CB-CB 3.8Å; L243-C254 WeakPolarHBondContact CD1-O 3.4Å; L243-G255 VanDerWaalsContact CD1-C 3.41Å; L243-I259 HydrophobicContact CD1-CD1 4.35Å; L243-I259 HydrophobicContact CD1-CG1 4.27Å; L243-I259 HydrophobicContact CD2-CD1 3.68Å; L243-I259 HydrophobicContact CD2-CG1 3.58Å; L243-C266 WeakPolarHBondContact CA-O 3.05Å; L243-T267 HydrophobicContact CD2-CG2 3.5Å
244R63.4Low55.5Low5 Ų561.3 Ų61.32%0.01934%0.335CS..EExtended strand (participates in β ladder)trans-154.8156.5167.168.3176.9-167.6-177.20.8110.4N219 A223 W226 C254 C265 C266N219-R244 PolarHBondContact O-NH2 3.24Å; A223-R244 PolarHBondContact O-NH1 3.4Å; W226-R244 HydrophobicContact CE3-CB 4.21Å; W226-R244 HydrophobicContact CE3-CG 4.1Å; W226-R244 HydrophobicContact CZ3-CG 4.01Å; R244-C254 PolarHBondContact O-SG 2.93Å; R244-C265 CarbonylContact O-C 3.39Å; R244-C265 WeakPolarHBondContact O-CA 3.36Å; R244-C266 HydrophobicContact CG-CB 3.53Å; R244-C266 PolarHBondContact N-O 3.33Å; R244-C266 PolarHBondContact O-N 2.67Å
245P61.8Low56Low10 Ų1057.1 Ų57.17%0.06531%0.314CS..EExtended strand (participates in β ladder)trans-61.5138.9167.8-23.735.7000111.8S249 T252P245-S249 WeakPolarHBondContact CG-O 3.22Å; P245-T252 HydrophobicContact CB-CG2 4.3Å; P245-T252 WeakPolarHBondContact CG-O 3.37Å
246E59.4Low56.3Low79 Ų7959.6 Ų59.637%0.36933%0.325SS..THydrogen-bonded Turntrans-67.7-43.6175.6-170.9179.6-153.100111.4A264E246-A264 WeakPolarHBondContact CB-O 2.88Å; E246-A264 PolarHBondContact N-O 2.78Å
247N58.4Low57.2Low127 Ų12766.7 Ų66.768%0.67936%0.356SS*.THydrogen-bonded Turntrans-104.628.9-168.7-70.6-33.1000115.1S249N247-S249 PolarHBondContact O-N 3.09Å
248R48.8Very low57.5Low158 Ų15864.2 Ų64.260%0.59634%0.336SS*.  trans54.414.8-175.6-55.3178.6178.1-177.6-1.2114.4E222 V250E222-R248 PolarHBondContact O-NE 3.05Å; E222-R248 PolarHBondContact O-NH2 2.92Å; E222-R248 VanDerWaalsContact O-NH2 3.11Å; R248-V250 PolarHBondContact O-N 3.31Å; R248-V250 VanDerWaalsContact O-N 3.07Å
249S51.8Low58Low36 Ų3666.2 Ų66.225%0.25235%0.346SS..  trans-66.6111.8-179.2173.30000108.7P245 N247 E251 T252P245-S249 WeakPolarHBondContact CG-O 3.22Å; N247-S249 PolarHBondContact O-N 3.09Å; S249-E251 PolarHBondContact O-N 2.79Å; S249-E251 PolarHBondContact OG-N 2.8Å; S249-T252 WeakPolarHBondContact CB-OG1 3.26Å; S249-T252 PolarHBondContact O-N 2.94Å; S249-T252 PolarHBondContact OG-N 3.41Å; S249-T252 PolarHBondContact OG-OG1 3.09Å
250V52.1Low58Low151 Ų15169.8 Ų69.892%0.91537%0.37SS*.THydrogen-bonded Turntrans-62.9-21.3174-173.60000110.5R248R248-V250 PolarHBondContact O-N 3.31Å; R248-V250 VanDerWaalsContact O-N 3.07Å
251E54Low57.9Low185 Ų18579.8 Ų79.886%0.86441%0.408SS*.THydrogen-bonded Turntrans-86-13.6-179.4-60.4-179.5170.800113.1S249 S253S249-E251 PolarHBondContact O-N 2.79Å; S249-E251 PolarHBondContact OG-N 2.8Å; E251-S253 PolarHBondContact O-N 2.86Å
252T58.8Low58Low41 Ų4179.4 Ų79.425%0.25241%0.412SS..  trans-86.4104.6-177.9-57.40000110.7P245 S249 C254 A264P245-T252 HydrophobicContact CB-CG2 4.3Å; P245-T252 WeakPolarHBondContact CG-O 3.37Å; S249-T252 WeakPolarHBondContact CB-OG1 3.26Å; S249-T252 PolarHBondContact O-N 2.94Å; S249-T252 PolarHBondContact OG-N 3.41Å; S249-T252 PolarHBondContact OG-OG1 3.09Å; T252-C254 PolarHBondContact O-N 2.87Å; T252-A264 HydrophobicContact CG2-CB 4.16Å
253S61.8Low57.9Low98 Ų9883.7 Ų83.769%0.68545%0.445SS*.  trans-81.5113.4171.1-176.10000111E251 N258E251-S253 PolarHBondContact O-N 2.86Å; S253-N258 PolarHBondContact O-ND2 2.89Å; S253-N258 VanDerWaalsContact O-ND2 3.12Å
254C62.1Low57.8Low8 Ų885 Ų855%0.05446%0.457CS..  trans-97.299.6175.7-64.50000110.9S228 L243 R244 T252 C265S228-C254 PolarHBondContact OG-O 3.4Å; L243-C254 HydrophobicContact CB-CB 3.8Å; L243-C254 WeakPolarHBondContact CD1-O 3.4Å; R244-C254 PolarHBondContact O-SG 2.93Å; T252-C254 PolarHBondContact O-N 2.87Å; C254-C265 WeakPolarHBondContact CA-SG 3.41Å; C254-C265 HydrophobicContact CB-CB 3.92Å; C254-C265 WeakPolarHBondContact CB-SG 3.29Å; C254-C265 WeakPolarHBondContact SG-CB 3.36Å; C254-C265 CovalentContact SG-SG 2.05Å; C254-C265 PolarHBondContact SG-SG 3.41Å
255G62.7Low57.8Low23 Ų2385.4 Ų85.424%0.23746%0.46CS..  trans-105.2165170.300000112.4L243 E257 N258L243-G255 VanDerWaalsContact CD1-C 3.41Å; G255-E257 PolarHBondContact O-N 3.34Å; G255-E257 VanDerWaalsContact O-N 3.16Å; G255-N258 PolarHBondContact O-N 3.49Å
256L58.7Low57.8Low79 Ų7985 Ų8541%0.41446%0.457SS..G310 helixtrans-50.2-38.1172.9-100161.4000112.4V230 Y241 N258 I259V230-L256 HydrophobicContact CB-CD1 3.57Å; V230-L256 HydrophobicContact CB-CG 4.09Å; V230-L256 HydrophobicContact CG1-CD1 3.21Å; V230-L256 HydrophobicContact CG1-CG 4.25Å; V230-L256 HydrophobicContact CG2-CD1 3.71Å; V230-L256 HydrophobicContact CG2-CG 3.98Å; Y241-L256 HydrophobicContact CD2-CD2 3.87Å; Y241-L256 HydrophobicContact CE2-CD2 4.03Å; Y241-L256 HydrophobicContact CG-CD2 4.29Å; L256-N258 PolarHBondContact O-N 3.44Å; L256-I259 HydrophobicContact CD2-CD1 3.72Å; L256-I259 HydrophobicContact CG-CD1 4.28Å; L256-I259 WeakPolarHBondContact O-CG1 3.37Å; L256-I259 PolarHBondContact O-N 3.34Å
257E65.4Low57.8Low159 Ų15982.3 Ų82.374%0.74345%0.446SS*.G310 helixtrans-59.5-25179.9-40.2-175.2-132.900112.6G255G255-E257 PolarHBondContact O-N 3.34Å; G255-E257 VanDerWaalsContact O-N 3.16Å
258N56.7Low57.8Low58 Ų5877.4 Ų77.431%0.3142%0.419SS..G310 helixtrans-102.9-6.2-173.8-65.3-19.8000113.4S253 G255 L256 T260 R261 S262S253-N258 PolarHBondContact O-ND2 2.89Å; S253-N258 VanDerWaalsContact O-ND2 3.12Å; G255-N258 PolarHBondContact O-N 3.49Å; L256-N258 PolarHBondContact O-N 3.44Å; N258-T260 VanDerWaalsContact C-N 3.27Å; N258-T260 PolarHBondContact O-N 2.92Å; N258-R261 PolarHBondContact O-N 2.91Å; N258-R261 VanDerWaalsContact O-N 3.15Å; N258-S262 WeakPolarHBondContact O-CB 3.47Å; N258-S262 PolarHBondContact O-N 2.96Å
259I56.3Low58.3Low46 Ų4671.5 Ų71.524%0.23640%0.399CS..THydrogen-bonded Turntrans-58-38.3-176.4-68.3179.3000112.4Y241 L243 L256 T267Y241-I259 HydrophobicContact CD1-CD1 3.84Å; Y241-I259 HydrophobicContact CE1-CD1 4.34Å; Y241-I259 HydrophobicContact CG-CD1 4.17Å; L243-I259 HydrophobicContact CD1-CD1 4.35Å; L243-I259 HydrophobicContact CD1-CG1 4.27Å; L243-I259 HydrophobicContact CD2-CD1 3.68Å; L243-I259 HydrophobicContact CD2-CG1 3.58Å; L256-I259 HydrophobicContact CD2-CD1 3.72Å; L256-I259 HydrophobicContact CG-CD1 4.28Å; L256-I259 WeakPolarHBondContact O-CG1 3.37Å; L256-I259 PolarHBondContact O-N 3.34Å; I259-T267 HydrophobicContact CG1-CG2 4.22Å; I259-T267 HydrophobicContact CG2-CG2 4.12Å
260T54.8Low58.4Low129 Ų12971.2 Ų71.279%0.79140%0.396SS*.THydrogen-bonded Turntrans-93.6-13.9-178.752.60000113.2N258N258-T260 VanDerWaalsContact C-N 3.27Å; N258-T260 PolarHBondContact O-N 2.92Å
261R53.4Low58.2Low213 Ų21368.1 Ų68.180%0.80437%0.374SS*.THydrogen-bonded Turntrans-108.1-22.2-169.7-70.2-177.2176.6172.60.4114.3N258N258-R261 PolarHBondContact O-N 2.91Å; N258-R261 VanDerWaalsContact O-N 3.15Å
262S55.2Low58Low41 Ų4162 Ų6229%0.28735%0.347SS..  trans-123.3113-171.2-171.20000110.9N258 A264 C265N258-S262 WeakPolarHBondContact O-CB 3.47Å; N258-S262 PolarHBondContact O-N 2.96Å; S262-A264 PolarHBondContact O-N 3.07Å; S262-A264 WeakPolarHBondContact OG-CB 3.39Å; S262-A264 PolarHBondContact OG-N 2.79Å; S262-C265 PolarHBondContact O-N 2.9Å
263S58Low58Low111 Ų11165.5 Ų65.578%0.77636%0.364SS*.THydrogen-bonded Turntrans-63.1-18168.758.20000112.2C265S263-C265 PolarHBondContact O-N 3.28Å
264A61.2Low57.4Low29 Ų2963.5 Ų63.524%0.2435%0.345CS..THydrogen-bonded Turntrans-76.52.5-177.500000114.3E246 T252 S262E246-A264 WeakPolarHBondContact CB-O 2.88Å; E246-A264 PolarHBondContact N-O 2.78Å; T252-A264 HydrophobicContact CG2-CB 4.16Å; S262-A264 PolarHBondContact O-N 3.07Å; S262-A264 WeakPolarHBondContact OG-CB 3.39Å; S262-A264 PolarHBondContact OG-N 2.79Å
265C63.2Low56.6Low13 Ų1364.7 Ų64.79%0.08836%0.359CS..EExtended strand (participates in β ladder)trans-119.1122.7-179.5-70.10000111.5R244 C254 S262 S263R244-C265 CarbonylContact O-C 3.39Å; R244-C265 WeakPolarHBondContact O-CA 3.36Å; C254-C265 WeakPolarHBondContact CA-SG 3.41Å; C254-C265 HydrophobicContact CB-CB 3.92Å; C254-C265 WeakPolarHBondContact CB-SG 3.29Å; C254-C265 WeakPolarHBondContact SG-CB 3.36Å; C254-C265 CovalentContact SG-SG 2.05Å; C254-C265 PolarHBondContact SG-SG 3.41Å; S262-C265 PolarHBondContact O-N 2.9Å; S263-C265 PolarHBondContact O-N 3.28Å
266C61.8Low56.1Low1 Ų166.8 Ų66.81%0.00737%0.37CS..EExtended strand (participates in β ladder)trans-77.2137.9167.6-68.10000111C218 L243 R244C218-C266 HydrophobicContact CB-CB 3.49Å; C218-C266 VanDerWaalsContact CB-CB 3.49Å; C218-C266 WeakPolarHBondContact CB-SG 3.16Å; C218-C266 WeakPolarHBondContact SG-CA 3.29Å; C218-C266 WeakPolarHBondContact SG-CB 3.23Å; C218-C266 CovalentContact SG-SG 2.02Å; C218-C266 PolarHBondContact SG-SG 3.32Å; L243-C266 WeakPolarHBondContact CA-O 3.05Å; R244-C266 HydrophobicContact CG-CB 3.53Å; R244-C266 PolarHBondContact N-O 3.33Å; R244-C266 PolarHBondContact O-N 2.67Å
267T58.7Low55.8Low22 Ų2265.5 Ų65.514%0.13537%0.367CS..EExtended strand (participates in β ladder)trans-126.8136.9-177.762.90000111.3T217 R242 L243 I259T217-T267 VanDerWaalsContact CG2-OG1 3.29Å; T217-T267 WeakPolarHBondContact CG2-OG1 3.36Å; T217-T267 PolarHBondContact N-O 3.15Å; T217-T267 PolarHBondContact OG1-N 2.63Å; T217-T267 PolarHBondContact OG1-O 3.09Å; T217-T267 PolarHBondContact OG1-OG1 2.75Å; R242-T267 WeakPolarHBondContact O-CA 3.47Å; L243-T267 HydrophobicContact CD2-CG2 3.5Å; I259-T267 HydrophobicContact CG1-CG2 4.22Å; I259-T267 HydrophobicContact CG2-CG2 4.12Å
268Q59.4Low55.2Low25 Ų2563 Ų6312%0.11736%0.359CS..EExtended strand (participates in β ladder)trans-120.3127.1167.4177.3177.240.700108.4W226 Y241 R242 V270W226-Q268 HydrophobicContact CH2-CB 3.59Å; W226-Q268 HydrophobicContact CZ2-CB 4.15Å; W226-Q268 HydrophobicContact CZ3-CB 3.96Å; Y241-Q268 WeakPolarHBondContact CA-O 3.07Å; R242-Q268 HydrophobicContact CB-CB 4.26Å; R242-Q268 PolarHBondContact N-O 3.03Å; R242-Q268 PolarHBondContact O-N 2.8Å; Q268-V270 HydrophobicContact CG-CG2 4.1Å
269L57.7Low54.9Low34 Ų3466 Ų6618%0.17837%0.371CS..EExtended strand (participates in β ladder)trans-105.3129176.3-167.2147000109.3Q215 I239 Y241 N271Q215-L269 HydrophobicContact CB-CB 4.29Å; Q215-L269 PolarHBondContact N-O 2.88Å; Q215-L269 PolarHBondContact O-N 3.07Å; I239-L269 HydrophobicContact CG2-CD1 3.79Å; I239-L269 HydrophobicContact CG2-CD2 3.83Å; I239-L269 HydrophobicContact CG2-CG 3.53Å; Y241-L269 HydrophobicContact CE1-CD1 3.85Å; Y241-L269 HydrophobicContact CE1-CG 4.45Å; L269-N271 WeakPolarHBondContact CD2-OD1 3.39Å
270V53.9Low54.6Low29 Ų2970 Ų7018%0.17639%0.386CS..EExtended strand (participates in β ladder)trans-126.7112.8177.9-173.10000108.5L214 S240 Q268 I272L214-V270 HydrophobicContact CD2-CB 4.32Å; L214-V270 HydrophobicContact CD2-CG1 4.21Å; L214-V270 HydrophobicContact CD2-CG2 3.82Å; S240-V270 PolarHBondContact N-O 3.14Å; S240-V270 PolarHBondContact O-N 2.95Å; Q268-V270 HydrophobicContact CG-CG2 4.1Å; V270-I272 PolarHBondContact O-N 3.16Å
271N49.2Very low54.3Low87 Ų8769.1 Ų69.147%0.46537%0.374SS..EExtended strand (participates in β ladder)trans-76.3117.8167-64.7-35.6000108.7A213 L269A213-N271 HydrophobicContact CB-CB 4.13Å; A213-N271 PolarHBondContact O-N 3.47Å; L269-N271 WeakPolarHBondContact CD2-OD1 3.39Å
272I49.6Very low54.2Low57 Ų5761.8 Ų61.829%0.29236%0.355SS..EExtended strand (participates in β ladder)trans-124.3144.4-180-171.1167.3000109.4A238 V270 L274A238-I272 HydrophobicContact CB-CG2 3.99Å; A238-I272 PolarHBondContact N-O 3.02Å; A238-I272 WeakPolarHBondContact O-CG2 3.04Å; A238-I272 PolarHBondContact O-N 2.91Å; V270-I272 PolarHBondContact O-N 3.16Å; I272-L274 HydrophobicContact CD1-CD2 4.05Å; I272-L274 HydrophobicContact CG1-CD2 4.17Å; I272-L274 HydrophobicContact CG2-CD2 3.92Å; I272-L274 HydrophobicContact CG2-CG 4.27Å
273N57.5Low54.2Low114 Ų11468 Ų6861%0.6137%0.372SS*.EExtended strand (participates in β ladder)trans-103.5110.6168.9-171.1-16.3000108.1G275N273-G275 PolarHBondContact O-N 2.05Å; N273-G275 VanDerWaalsContact O-N 3.14Å; N273-G275 PolarHBondContact OD1-N 2.77Å
274L49.8Very low54.1Low55 Ų5571.5 Ų71.529%0.28837%0.368SS..  trans-7916.1-176.7-60.8178.3000113.2A233 G236 A238 I272A233-L274 WeakPolarHBondContact O-CD1 3.46Å; G236-L274 PolarHBondContact O-N 3.43Å; A238-L274 HydrophobicContact CB-CD1 3.53Å; A238-L274 HydrophobicContact CB-CG 3.82Å; I272-L274 HydrophobicContact CD1-CD2 4.05Å; I272-L274 HydrophobicContact CG1-CD2 4.17Å; I272-L274 HydrophobicContact CG2-CD2 3.92Å; I272-L274 HydrophobicContact CG2-CG 4.27Å
275G45.8Very low53.7Low34 Ų3476.1 Ų76.135%0.35139%0.385SS..  trans80.9174.1-177.300000113G236 N273G236-G275 VanDerWaalsContact CA-O 3.32Å; G236-G275 WeakPolarHBondContact CA-O 2.9Å; G236-G275 PolarHBondContact N-O 3.27Å; N273-G275 PolarHBondContact O-N 2.05Å; N273-G275 VanDerWaalsContact O-N 3.14Å; N273-G275 PolarHBondContact OD1-N 2.77Å
276S51.4Low53.4Low67 Ų6783 Ų8347%0.46941%0.413SS..  trans-70.6133.7-175.4-177.10000112N278 E279S276-N278 PolarHBondContact O-N 3.17Å; S276-N278 VanDerWaalsContact OG-CB 3.26Å; S276-N278 WeakPolarHBondContact OG-CB 3.29Å; S276-N278 PolarHBondContact OG-N 2.95Å; S276-E279 PolarHBondContact O-N 3.11Å
277C53.7Low53.2Low51 Ų5193.1 Ų93.135%0.34545%0.451SS..Hα-helixtrans-59.4-26.4167.7-60.60000111.7C235 E279 K280 E281C235-C277 HydrophobicContact CB-CB 3.94Å; C235-C277 WeakPolarHBondContact CB-SG 3.04Å; C235-C277 VanDerWaalsContact SG-CA 3.56Å; C235-C277 WeakPolarHBondContact SG-CB 3.44Å; C235-C277 CovalentContact SG-SG 2.04Å; C235-C277 PolarHBondContact SG-SG 2.68Å; C277-E279 PolarHBondContact O-N 3.4Å; C277-K280 PolarHBondContact O-N 2.02Å; C277-E281 PolarHBondContact O-N 3.49Å
278N53.3Low53.1Low108 Ų10898.4 Ų98.458%0.57847%0.474SS*.Hα-helixtrans-64-24.1179-60.5-1.9000112.4S276 E281 S282S276-N278 PolarHBondContact O-N 3.17Å; S276-N278 VanDerWaalsContact OG-CB 3.26Å; S276-N278 WeakPolarHBondContact OG-CB 3.29Å; S276-N278 PolarHBondContact OG-N 2.95Å; N278-E281 PolarHBondContact O-N 3.46Å; N278-S282 WeakPolarHBondContact O-CB 3.5Å; N278-S282 PolarHBondContact O-N 3.32Å
279E50.2Low52.6Low119 Ų11999.8 Ų99.856%0.55650%0.495SS*.Hα-helixtrans-75.4-36.8178.7-154.5-179.8172.800111.5S276 C277 R283S276-E279 PolarHBondContact O-N 3.11Å; C277-E279 PolarHBondContact O-N 3.4Å; E279-R283 WeakPolarHBondContact O-CB 3.48Å; E279-R283 WeakPolarHBondContact O-CG 3.5Å; E279-R283 PolarHBondContact O-N 3.48Å
280K48.9Very low52.2Low130 Ų130100.8 Ų100.857%0.56551%0.514SS*.Hα-helixtrans-66.2-39.7169.3-83.6-179.8177.2171.60111T234 C277 R284T234-K280 PolarHBondContact O-NZ 2.84Å; C277-K280 PolarHBondContact O-N 2.02Å; K280-R284 PolarHBondContact O-N 2.96Å; K280-R284 VanDerWaalsContact O-N 3.11Å
281E48.7Very low51.9Low112 Ų112106.4 Ų106.452%0.52354%0.543SS..Hα-helixtrans-69.5-42.9177.9-126.8160.8-161.200112.7C277 N278 R283 R284 H285C277-E281 PolarHBondContact O-N 3.49Å; N278-E281 PolarHBondContact O-N 3.46Å; E281-R283 PolarHBondContact O-N 3.12Å; E281-R284 WeakPolarHBondContact O-CA 3.49Å; E281-R284 VanDerWaalsContact O-CB 3.28Å; E281-R284 WeakPolarHBondContact O-CB 3.36Å; E281-R284 PolarHBondContact O-N 3.15Å; E281-R284 VanDerWaalsContact O-N 3.08Å; E281-H285 PolarHBondContact O-CD2 3.07Å; E281-H285 VanDerWaalsContact O-CD2 3.3Å; E281-H285 PolarHBondContact O-N 3.19Å
282S52.1Low51.9Low59 Ų59109 Ų10941%0.41356%0.557SS.*Hα-helixtrans-66.1-37.2176.5-170.90000112N278 R284 H285 K286N278-S282 WeakPolarHBondContact O-CB 3.5Å; N278-S282 PolarHBondContact O-N 3.32Å; S282-R284 VanDerWaalsContact C-N 3.31Å; S282-R284 PolarHBondContact O-N 3.26Å; S282-H285 PolarHBondContact O-N 3.49Å; S282-K286 WeakPolarHBondContact O-CB 3.49Å; S282-K286 WeakPolarHBondContact O-CG 3.15Å; S282-K286 PolarHBondContact O-N 3.38Å
283R54.2Low51.7Low172 Ų172112.7 Ų112.765%0.64958%0.582SS**Hα-helixtrans-65-34.3170.3-78.3-176.1-177.3-1693.3112.4E279 E281 R287E279-R283 WeakPolarHBondContact O-CB 3.48Å; E279-R283 WeakPolarHBondContact O-CG 3.5Å; E279-R283 PolarHBondContact O-N 3.48Å; E281-R283 PolarHBondContact O-N 3.12Å; R283-R287 PolarHBondContact O-N 2.89Å; R283-R287 VanDerWaalsContact O-N 3.11Å
284R55.2Low50.8Low183 Ų183112.6 Ų112.669%0.69160%0.597SS**Hα-helixtrans-65.9-46174.4-139.7178.1-172.3-173.21.2110.9K280 E281 S282 R287 Q288K280-R284 PolarHBondContact O-N 2.96Å; K280-R284 VanDerWaalsContact O-N 3.11Å; E281-R284 WeakPolarHBondContact O-CA 3.49Å; E281-R284 VanDerWaalsContact O-CB 3.28Å; E281-R284 WeakPolarHBondContact O-CB 3.36Å; E281-R284 PolarHBondContact O-N 3.15Å; E281-R284 VanDerWaalsContact O-N 3.08Å; S282-R284 VanDerWaalsContact C-N 3.31Å; S282-R284 PolarHBondContact O-N 3.26Å; R284-R287 PolarHBondContact O-N 3.24Å; R284-Q288 PolarHBondContact O-N 3.25Å
285H53.7Low50.3Low126 Ų126114.7 Ų114.758%0.58362%0.622SS**Hα-helixtrans-66.4-38.6175.7-77.7-65.3000113.4E281 S282 R287 Q288 G289E281-H285 PolarHBondContact O-CD2 3.07Å; E281-H285 VanDerWaalsContact O-CD2 3.3Å; E281-H285 PolarHBondContact O-N 3.19Å; S282-H285 PolarHBondContact O-N 3.49Å; H285-R287 VanDerWaalsContact C-N 3.35Å; H285-R287 PolarHBondContact O-N 3.37Å; H285-Q288 PolarHBondContact O-N 3.3Å; H285-G289 PolarHBondContact O-N 3.21Å
286K57.3Low50.3Low157 Ų157118.1 Ų118.168%0.68365%0.647SS**Hα-helixtrans-65.5-35.6175.1-77.6-177.5179.7-1780112.8S282 G290S282-K286 WeakPolarHBondContact O-CB 3.49Å; S282-K286 WeakPolarHBondContact O-CG 3.15Å; S282-K286 PolarHBondContact O-N 3.38Å; K286-G290 PolarHBondContact O-N 2.94Å
287R56.8Low49.5Very low215 Ų215118.8 Ų118.881%0.81167%0.665SS**Hα-helixtrans-74-27.7174.6-78.5-177.4167.8179.9-3.9113.2R283 R284 H285R283-R287 PolarHBondContact O-N 2.89Å; R283-R287 VanDerWaalsContact O-N 3.11Å; R284-R287 PolarHBondContact O-N 3.24Å; H285-R287 VanDerWaalsContact C-N 3.35Å; H285-R287 PolarHBondContact O-N 3.37Å
288Q56.7Low48.7Very low132 Ų132121.8 Ų121.862%0.61769%0.686SS**Hα-helixtrans-84.3-29174.5-75.1178.4-18.400113.1R284 H285R284-Q288 PolarHBondContact O-N 3.25Å; H285-Q288 PolarHBondContact O-N 3.3Å
289G49.8Very low48.2Very low54 Ų54125.2 Ų125.256%0.55770%0.699SS**Hα-helixtrans-85.4-18.4178.800000115.3H285H285-G289 PolarHBondContact O-N 3.21Å
290G48.7Very low47.9Very low56 Ų56126.3 Ų126.358%0.57771%0.709SS**THydrogen-bonded Turntrans-87.20.6-177.700000116.1K286K286-G290 PolarHBondContact O-N 2.94Å
291N47.1Very low47.5Very low146 Ų146129.8 Ų129.878%0.78172%0.724SS**THydrogen-bonded Turntrans-1017.3-176.3-105.113.9000114.7
292N49.4Very low46.9Very low143 Ų143128.2 Ų128.277%0.76574%0.738SS**SBendtrans-1159.9-170.8-75.5-2.5000116.5
293T45Very low46Very low134 Ų134128.9 Ų128.982%0.82275%0.754SS**SBendtrans-136.615.2-173.230.40000117.7
294A39.4Very low45.2Very low111 Ų111129.1 Ų129.192%0.91776%0.762SS**SBendtrans-110.420.8179.500000115.3
295A39.9Very low44.2Very low99 Ų99127.1 Ų127.182%0.81877%0.765SS**SBendtrans-145.772.2-177.900000113.1
296A44.3Very low43.3Very low106 Ų106125.9 Ų125.988%0.87678%0.777SS**  trans-167.8121.1156.300000111.8
297G35.6Very low42.4Very low81 Ų81123.3 Ų123.384%0.83579%0.785SS**  trans100.371.5143.400000118.1
298S35.8Very low41.3Very low114 Ų114119.4 Ų119.480%0.79779%0.785SS**  trans-71.5122.1150.3149.80000109.1
299E44Very low40.5Very low181 Ų181118.5 Ų118.585%0.84679%0.79SS**  trans-169.699.5146.1-108.7171.4-171.100113.2
300N43Very low40Very low142 Ų142121.7 Ų121.776%0.75980%0.802SS**  56.5132.2125.6-89.9-23.3000125.4
301K41.9Very low39.3Very low203 Ų203128.6 Ų128.688%0.88382%0.819SS**  trans78.9128.9153.5-63.9177178.8-178.10116.9
302G34.6Very low39Very low79 Ų79130.7 Ų130.781%0.81482%0.824SS**  cis155.6147.96.100000109.2
303G33.5Very low38.2Very low72 Ų72133.4 Ų133.474%0.74283%0.829SS**  trans96.494.2169.200000114.8
304E38.2Very low37.8Very low177 Ų177133.3 Ų133.383%0.82783%0.828SS**  83.5109.782.9-85.1-169.6120.300116.1
305N34.8Very low37.4Very low141 Ų141135.2 Ų135.275%0.75482%0.823SS**  trans66.7104143.7-56.4-30.1000120.5
306A33.9Very low37.5Very low100 Ų100136.1 Ų136.183%0.82682%0.82SS**  162146.3115.100000112.6
307A37.5Very low37.2Very low103 Ų103137.2 Ų137.285%0.85182%0.818SS**  trans78.3116.1152.900000120.9
308T33.8Very low37Very low134 Ų134137.8 Ų137.882%0.82282%0.816SS**  trans-65.7173.1160.2-40.10000111.8
309P40.3Very low37.2Very low112 Ų112141.4 Ų141.473%0.72782%0.82SS**  cis-115.1-155.1-45.737-16.7000110.3
310P40.4Very low36.8Very low122 Ų122138.4 Ų138.479%0.79282%0.816SS**  -151.2164.269.435.3-11.5000117.6
311Q33.1Very low36.4Very low201 Ų201138.9 Ų138.994%0.93982%0.818SS**  trans-72.1141.9160-78.9175.2-66.900110.4
312E40.2Very low36.3Very low190 Ų190138.6 Ų138.689%0.88882%0.82SS**  trans-115.1134.5170.9-146.3171.5-156.900110.2
313K33.7Very low36.3Very low200 Ų200142.5 Ų142.587%0.8782%0.822SS**  trans-142.7109.4-171.6-167.6-163.8-157.5-168.70106.8
314T35Very low36.6Very low131 Ų131144.8 Ų144.880%0.80482%0.824SS**  trans-159.5111.2169.8-13.30000112.2
315D32.5Very low36.6Very low152 Ų152142.3 Ų142.381%0.81382%0.823SS**  trans-88.6-179.4150.1-92-35.5000108.1
316P42.3Very low36.8Very low117 Ų117141.2 Ų141.276%0.7682%0.824SS**  cis-131-153.4-18.238.6-15.8000110.4
317P38.1Very low37.6Very low129 Ų129142.9 Ų142.984%0.83883%0.826SS**  -145.71736033.8-9.3000116.5
318A31.3Very low37.7Very low94 Ų94142.9 Ų142.978%0.77783%0.826SS**  trans-100.7152178.800000113.9
319Q38.7Very low38Very low190 Ų190145.4 Ų145.489%0.88883%0.829SS**  trans172.3163.6154.1-104.4-173.3-34.700111.5
320P36.4Very low37.9Very low117 Ų117146 Ų14676%0.7683%0.833SS**  cis-135.3-179.1-47.633.6-12.2000114.6
321D35.2Very low37.7Very low152 Ų152144.7 Ų144.781%0.81383%0.826SS**  trans-44.2150.4-177.1-77.5-60.6000121.1
322Q38.5Very low38Very low198 Ų198141.2 Ų141.293%0.92582%0.815SS**  trans-167.5116.1144.6-104.5168.855.100112.2
323N34.5Very low37.9Very low160 Ų160137.8 Ų137.886%0.85681%0.807SS**  trans-118151.2168-88.2-33.3000109.8
324P39.3Very low37.9Very low120 Ų120135 Ų13578%0.77980%0.801SS**  trans-109.1151.2157.933.5-23.9000113.9
325P39Very low38Very low125 Ų125137 Ų13781%0.81280%0.802SS**  trans-91.9174.3-176.138.4-35.9000115.2
326P38.9Very low37.9Very low119 Ų119134.8 Ų134.877%0.77379%0.794SS**PPolyproline II helixtrans-101.5173.6-159.140.6-33.5000114.8
327P50.3Low37.4Very low134 Ų134137.3 Ų137.387%0.8780%0.795SS**PPolyproline II helixtrans-98.9154.2168.732.4-22.1000114.3
328A41.1Very low37.2Very low103 Ų103136.4 Ų136.485%0.85179%0.787SS**PPolyproline II helixtrans-93.6165.5-162.600000117.1
329E39.2Very low37.2Very low188 Ų188138.5 Ų138.588%0.87979%0.786SS**  trans-67.7175176-70.5178.6131.500115.1
330P37.9Very low36.9Very low125 Ų125135.1 Ų135.181%0.81278%0.778SS**  -141.2169110.636.1-20.3000117.6
331S37.4Very low36.7Very low93 Ų93136 Ų13665%0.6578%0.777SS**  trans-57.3165-173.249.70000117.5
332D37.8Very low36.7Very low129 Ų129134.9 Ų134.969%0.6978%0.775SS**  174.6140.673.4-112.3-49.6000113.2
333T38.3Very low36.5Very low118 Ų118128.7 Ų128.772%0.72477%0.765SS**  trans38155.9140.932.70000122.8
334D33.8Very low36.3Very low141 Ų141127.7 Ų127.775%0.75476%0.764SS**  cis-176.4178.2-22.7-148.7-23.8000106.3
335E36.8Very low36.1Very low174 Ų174129.1 Ų129.181%0.81377%0.765SS**  trans97.384.9161.4-54.6-163.1129.300121.3
336T31.8Very low35.8Very low105 Ų105128.6 Ų128.664%0.64476%0.764SS**  50.3129.3102.7-46.80000124
337Q32.1Very low35.6Very low170 Ų170126.4 Ų126.479%0.79476%0.763SS**  trans70.5149149.8-77.9166.45.300118.6
338T33.7Very low34.7Very low109 Ų109129.8 Ų129.867%0.66976%0.764SS**  cis-169131.813.24.50000106
339D30.7Very low34.4Very low139 Ų139129.2 Ų129.274%0.74376%0.759SS**  84.9127.2104.2-98.6-21.2000118.8
340T32.1Very low34.3Very low118 Ų118130 Ų13072%0.72476%0.76SS**  trans67.3118.8142.839.80000123.7
341D32Very low34.1Very low137 Ų137133.6 Ų133.673%0.73376%0.763SS**  86.3116.3113.7-154.920.2000118.5
342T36.8Very low34.3Very low128 Ų128134.6 Ų134.679%0.78577%0.769SS**  163.8139115.435.40000114
343G32.5Very low34.4Very low68 Ų68138 Ų13870%0.70178%0.778SS**  trans74.9107.714500000117.8
344V31.2Very low34.3Very low139 Ų139137.9 Ų137.984%0.84278%0.78SS**  41.2107.272-169.90000112.5
345D34.5Very low34.6Very low150 Ų150139.8 Ų139.880%0.80278%0.781SS**  -175.8152102.4-144.6-11.3000113.7
346S32.7Very low34.7Very low114 Ų114137.3 Ų137.380%0.79778%0.78SS**  trans-79.2147.5179-55.30000111.7
347G34.2Very low34.9Very low72 Ų72136.8 Ų136.874%0.74278%0.778SS**  trans-168.188.6176.600000117.4
348K33.4Very low35.4Very low206 Ų206136.7 Ų136.790%0.89678%0.778SS**  trans32.1113.6138.4-72.1170.5176.4167.10118.5
349A33.5Very low35.4Very low91 Ų91139.3 Ų139.375%0.75278%0.78SS**  61.4119.581.800000116.7
350K38.1Very low35.4Very low203 Ų203140.4 Ų140.488%0.88378%0.781SS**  167.4113.3129.5-90.4163.2-176.9-175.60110.3
351K33.6Very low35.6Very low202 Ų202141.6 Ų141.688%0.87878%0.778SS**  66119.684.2-105-175.9-179.9177.30115
352S41.5Very low35.6Very low113 Ų113143.9 Ų143.979%0.7979%0.785SS**  trans-170.1101.3138.3-760000108
353K39.1Very low35.3Very low200 Ų200141.4 Ų141.487%0.8778%0.784SS**  82.9154.392.4-93.1-170.7176.1-178.60113
354P35.9Very low35.4Very low117 Ų117143.1 Ų143.176%0.7679%0.792SS**  cis-138.8172.3-36.435.7-16.1000114.1
355K39.6Very low35.3Very low180 Ų180145 Ų14578%0.78380%0.796SS**  trans-75160.2169.9-160.5-179.7-176.3176.70111.5
356P39Very low35.2Very low122 Ų122143 Ų14379%0.79279%0.794SS**  -146.5174.4109.626.3-3.2000115.9
357P37.5Very low35.2Very low94 Ų94142.5 Ų142.561%0.6179%0.791SS**  trans-116.5-161.3-156.941.2-25.7000115.1
358E41.5Very low35.2Very low168 Ų168145.5 Ų145.579%0.78580%0.799SS**  trans86.4148.1164.4-76-177.9131.300117.5
359K33.3Very low35.1Very low165 Ų165142.9 Ų142.972%0.71780%0.795SS**  cis175.4161-25.3-131.6-175.8-173.2179.60104
360Q31.9Very low35.1Very low161 Ų161145.2 Ų145.275%0.75279%0.794SS**  trans73.1141.7162.9-70.7164.7-42.400115.3
361E35Very low34.9Very low143 Ų143145 Ų14567%0.66879%0.793SS**  cis-162.3134.524.6-125.4157-163.200107.2
362E32.4Very low34.9Very low186 Ų186150.7 Ų150.787%0.86981%0.809SS**  65.5117.9114.7-70.3-171.316600116.8
363G31.9Very low34.6Very low76 Ų76152.6 Ų152.678%0.78481%0.81SS**  trans169.595.7164.700000115.9
364A33.4Very low34.3Very low104 Ų104150.1 Ų150.186%0.8681%0.807SS**  trans77.883.1152.500000119.7
365L29.1Very low34.2Very low178 Ų178151.9 Ų151.993%0.93281%0.81SS**  trans-52.5135.2140-79.2144.6000111.9
366S32.1Very low33.9Very low109 Ų109150.3 Ų150.376%0.76281%0.811SS**  trans179.592.1145.7171.10000108.3
367S32.5Very low33.6Very low103 Ų103152.1 Ų152.172%0.7281%0.813SS**  51.2112.396168.20000113.7
368C34Very low33.3Very low135 Ų135155.9 Ų155.991%0.91283%0.826SS**  trans-165.884.3138.4-99.40000109.3
369D31.3Very low32.8Very low151 Ų151155.1 Ų155.181%0.80783%0.829SS**  trans-108.1108.8157.5-144.8-17.9000105.6
370N34.8Very low32.7Very low139 Ų139154.3 Ų154.374%0.74384%0.838SS**  trans161.5123146-89.7-56.2000113
371K33.4Very low32.8Very low198 Ų198153.8 Ų153.886%0.86185%0.845SS**  trans71.490.9150.8-61.2177179.5178.80118.1
372R33.7Very low32.6Very low323 Ų323154.7 Ų154.7100%1.21986%0.861SS**  -170.3099.8-135.2176.8-172.1-170.62111.5

Retrieved 372 of 372 residues in 469.3 ms (Link to these results)