SM20_SCHMA Loading...

20 kDa calcium-binding protein

Calcium-binding protein.

AlphaFold DB , UniProt , Accession P15845, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SM20, Length 154 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
1M67.4Low83.9Confident185 Ų18582.5 Ų82.591%0.91143%0.425SS*.  0128.10-161162.2-175.300107.2E12M1-E12 PolarHBondContact N-OE2 3.17Å
2A72.6Confident84.9Confident50 Ų5083.1 Ų83.141%0.41343%0.425SS..  trans-66.7159.4171.300000110.4T9 I10A2-T9 HydrophobicContact CB-CG2 3.78Å; A2-I10 WeakPolarHBondContact CA-O 3.23Å; A2-I10 WeakPolarHBondContact CB-O 3.43Å
3F82Confident85.7Confident46 Ų4684 Ų8420%0.20243%0.431CS..EExtended strand (participates in β ladder)trans-118.5129.4177.2-172.2-93.6000109.3I5 T9 I10 V15 L75 I76F3-I5 HydrophobicContact CD1-CD1 3.9Å; F3-I5 HydrophobicContact CD1-CG1 3.71Å; F3-I5 HydrophobicContact CE1-CD1 3.84Å; F3-I5 HydrophobicContact CE1-CG1 3.47Å; F3-I5 VanDerWaalsContact CE1-CG1 3.47Å; F3-T9 WeakPolarHBondContact O-CA 3.48Å; F3-I10 HydrophobicContact CB-CB 4.27Å; F3-I10 HydrophobicContact CB-CD1 4.38Å; F3-I10 HydrophobicContact CD1-CD1 3.97Å; F3-I10 PolarHBondContact N-O 3.37Å; F3-I10 VanDerWaalsContact N-O 3.07Å; F3-I10 PolarHBondContact O-N 3.3Å; F3-V15 HydrophobicContact CB-CG2 3.98Å; F3-L75 HydrophobicContact CB-CD1 4.03Å; F3-L75 HydrophobicContact CD1-CB 3.85Å; F3-L75 HydrophobicContact CD1-CD1 4.24Å; F3-L75 HydrophobicContact CD2-CB 4.45Å; F3-L75 HydrophobicContact CD2-CD1 3.57Å; F3-L75 HydrophobicContact CE1-CB 3.79Å; F3-L75 HydrophobicContact CE2-CB 4.41Å; F3-L75 HydrophobicContact CE2-CD1 4.01Å; F3-L75 HydrophobicContact CG-CB 4.18Å; F3-L75 HydrophobicContact CG-CD1 3.69Å; F3-L75 HydrophobicContact CZ-CB 4.09Å; F3-I76 HydrophobicContact CE1-CG1 4.22Å; F3-I76 HydrophobicContact CZ-CG1 4.35Å
4K80Confident86.5Confident143 Ų14381.3 Ų81.362%0.62242%0.416SS*.EExtended strand (participates in β ladder)trans-108.6132.2-175.3-174.7171.7176.3170.50110.2D6 F8K4-D6 WeakPolarHBondContact CE-O 3.27Å; K4-F8 WeakPolarHBondContact CA-O 3.44Å
5I82.7Confident87.2Confident18 Ų1877.2 Ų77.29%0.09240%0.396CS..EExtended strand (participates in β ladder)trans-128.6111.4176-60.8155.4000105.7F3 D7 F8 I10 L75F3-I5 HydrophobicContact CD1-CD1 3.9Å; F3-I5 HydrophobicContact CD1-CG1 3.71Å; F3-I5 HydrophobicContact CE1-CD1 3.84Å; F3-I5 HydrophobicContact CE1-CG1 3.47Å; F3-I5 VanDerWaalsContact CE1-CG1 3.47Å; I5-D7 PolarHBondContact O-N 2.73Å; I5-D7 VanDerWaalsContact O-N 3.09Å; I5-F8 PolarHBondContact N-O 2.68Å; I5-F8 WeakPolarHBondContact O-CA 3.41Å; I5-F8 PolarHBondContact O-N 2.8Å; I5-F8 VanDerWaalsContact O-O 3.07Å; I5-I10 HydrophobicContact CD1-CD1 3.86Å; I5-I10 HydrophobicContact CD1-CG1 4.32Å; I5-L75 WeakPolarHBondContact CD1-O 3.37Å
6D81.2Confident87.8Confident145 Ų14579.6 Ų79.678%0.77540%0.403SS*.THydrogen-bonded Turntrans48.6-115-174.8-65-80.6000112.1K4K4-D6 WeakPolarHBondContact CE-O 3.27Å
7D82.2Confident88.3Confident147 Ų14779.9 Ų79.979%0.78641%0.405SS*.THydrogen-bonded Turntrans-90-14176.5-156.1-114.7000113.6I5I5-D7 PolarHBondContact O-N 2.73Å; I5-D7 VanDerWaalsContact O-N 3.09Å
8F90.5Very high88.9Confident20 Ų2075.5 Ų75.59%0.08838%0.382CS..EExtended strand (participates in β ladder)trans-87.8144.2-177.4-171-97.6000113K4 I5 I10 L82 Q83K4-F8 WeakPolarHBondContact CA-O 3.44Å; I5-F8 PolarHBondContact N-O 2.68Å; I5-F8 WeakPolarHBondContact O-CA 3.41Å; I5-F8 PolarHBondContact O-N 2.8Å; I5-F8 VanDerWaalsContact O-O 3.07Å; F8-I10 HydrophobicContact CD1-CG1 4.33Å; F8-I10 HydrophobicContact CE1-CG1 4.01Å; F8-L82 HydrophobicContact CE1-CB 3.69Å; F8-L82 HydrophobicContact CE1-CD1 4.29Å; F8-L82 HydrophobicContact CZ-CB 3.52Å; F8-Q83 HydrophobicContact CB-CB 4.35Å; F8-Q83 HydrophobicContact CB-CG 4.32Å; F8-Q83 HydrophobicContact CD1-CB 4.31Å; F8-Q83 HydrophobicContact CD2-CB 3.7Å; F8-Q83 HydrophobicContact CD2-CG 3.91Å; F8-Q83 HydrophobicContact CE2-CB 4.06Å; F8-Q83 HydrophobicContact CG-CB 3.85Å; F8-Q83 HydrophobicContact CG-CG 4.21Å
9T93.8Very high89.3Confident51 Ų5176.8 Ų76.831%0.31339%0.385SS..EExtended strand (participates in β ladder)trans-128.4119.1177.9-61.60000111.9A2 F3 Q11A2-T9 HydrophobicContact CB-CG2 3.78Å; F3-T9 WeakPolarHBondContact O-CA 3.48Å; T9-Q11 PolarHBondContact O-N 2.97Å; T9-Q11 PolarHBondContact O-NE2 2.88Å
10I95.4Very high89.7Confident0 Ų077.7 Ų77.70%039%0.391CS..EExtended strand (participates in β ladder)trans-76.2120170.4-49.1177.5000108.6A2 F3 I5 F8 Q14 V15 L75 Y78 L82A2-I10 WeakPolarHBondContact CA-O 3.23Å; A2-I10 WeakPolarHBondContact CB-O 3.43Å; F3-I10 HydrophobicContact CB-CB 4.27Å; F3-I10 HydrophobicContact CB-CD1 4.38Å; F3-I10 HydrophobicContact CD1-CD1 3.97Å; F3-I10 PolarHBondContact N-O 3.37Å; F3-I10 VanDerWaalsContact N-O 3.07Å; F3-I10 PolarHBondContact O-N 3.3Å; I5-I10 HydrophobicContact CD1-CD1 3.86Å; I5-I10 HydrophobicContact CD1-CG1 4.32Å; F8-I10 HydrophobicContact CD1-CG1 4.33Å; F8-I10 HydrophobicContact CE1-CG1 4.01Å; I10-Q14 HydrophobicContact CG2-CB 3.57Å; I10-V15 HydrophobicContact CB-CG2 4.04Å; I10-V15 HydrophobicContact CG2-CG2 3.66Å; I10-L75 HydrophobicContact CD1-CB 4.25Å; I10-L75 HydrophobicContact CD1-CD2 4.16Å; I10-L75 VanDerWaalsContact CD1-O 3.31Å; I10-L75 WeakPolarHBondContact CD1-O 3.14Å; I10-Y78 HydrophobicContact CD1-CD1 4.18Å; I10-Y78 HydrophobicContact CG2-CD1 4.27Å; I10-Y78 HydrophobicContact CG2-CE1 3.99Å; I10-L82 HydrophobicContact CG1-CD1 4.33Å; I10-L82 HydrophobicContact CG2-CD1 3.98Å
11Q95.5Very high90.1Very high102 Ų10274.3 Ų74.348%0.47737%0.374SS..  trans-66.9156-178-58.7-57-45.500111.8T9 D13 Q14 V15T9-Q11 PolarHBondContact O-N 2.97Å; T9-Q11 PolarHBondContact O-NE2 2.88Å; Q11-D13 VanDerWaalsContact C-N 3.29Å; Q11-D13 VanDerWaalsContact CB-OD1 3.27Å; Q11-D13 WeakPolarHBondContact CB-OD1 3.49Å; Q11-D13 PolarHBondContact O-N 3.44Å; Q11-Q14 HydrophobicContact CB-CG 4.31Å; Q11-Q14 WeakPolarHBondContact O-CB 3.4Å; Q11-Q14 PolarHBondContact O-N 3.2Å; Q11-Q14 VanDerWaalsContact O-N 3.08Å; Q11-V15 WeakPolarHBondContact O-CG2 3.36Å; Q11-V15 PolarHBondContact O-N 3.19Å
12E95.3Very high91.5Very high90 Ų9065.9 Ų65.942%0.42133%0.333SS..Hα-helixtrans-59.7-37.8-173.8178.1174.3110.500113.3M1 V15 K16M1-E12 PolarHBondContact N-OE2 3.17Å; E12-V15 PolarHBondContact O-N 2.61Å; E12-K16 HydrophobicContact CG-CD 4.43Å; E12-K16 WeakPolarHBondContact O-CG 3.34Å; E12-K16 PolarHBondContact O-N 2.93Å; E12-K16 WeakPolarHBondContact OE1-CE 3.47Å; E12-K16 IonicContact OE1-NZ 3.05Å; E12-K16 PolarHBondContact OE1-NZ 3.46Å
13D95.8Very high92.7Very high95 Ų9569.6 Ų69.651%0.50834%0.34SS..Hα-helixtrans-65.7-41.8175.662.5-66.9000111.6Q11 V15 K16 I17Q11-D13 VanDerWaalsContact C-N 3.29Å; Q11-D13 VanDerWaalsContact CB-OD1 3.27Å; Q11-D13 WeakPolarHBondContact CB-OD1 3.49Å; Q11-D13 PolarHBondContact O-N 3.44Å; D13-V15 PolarHBondContact O-N 2.65Å; D13-K16 WeakPolarHBondContact O-CB 3.42Å; D13-K16 PolarHBondContact O-N 3Å; D13-I17 WeakPolarHBondContact O-CG1 3.43Å; D13-I17 PolarHBondContact O-N 3.1Å
14Q96.3Very high93.4Very high46 Ų4675.7 Ų75.722%0.21536%0.361CS..Hα-helixtrans-62.7-41.7174.7-65.6175.3-46.700111.4I10 Q11 K16 I17 A18 Y78I10-Q14 HydrophobicContact CG2-CB 3.57Å; Q11-Q14 HydrophobicContact CB-CG 4.31Å; Q11-Q14 WeakPolarHBondContact O-CB 3.4Å; Q11-Q14 PolarHBondContact O-N 3.2Å; Q11-Q14 VanDerWaalsContact O-N 3.08Å; Q14-K16 VanDerWaalsContact C-N 3.33Å; Q14-K16 PolarHBondContact O-N 2.95Å; Q14-I17 PolarHBondContact O-N 3.06Å; Q14-A18 VanDerWaalsContact O-CB 3.31Å; Q14-A18 WeakPolarHBondContact O-CB 3.4Å; Q14-A18 PolarHBondContact O-N 3.06Å; Q14-Y78 HydrophobicContact CB-CE1 4.14Å
15V97.3Very high94.2Very high20 Ų2070.6 Ų70.612%0.12134%0.339CS..Hα-helixtrans-62.1-40.5174.8175.20000111.1F3 I10 Q11 E12 D13 A18 K19 F71 L75F3-V15 HydrophobicContact CB-CG2 3.98Å; I10-V15 HydrophobicContact CB-CG2 4.04Å; I10-V15 HydrophobicContact CG2-CG2 3.66Å; Q11-V15 WeakPolarHBondContact O-CG2 3.36Å; Q11-V15 PolarHBondContact O-N 3.19Å; E12-V15 PolarHBondContact O-N 2.61Å; D13-V15 PolarHBondContact O-N 2.65Å; V15-A18 PolarHBondContact O-N 2.97Å; V15-K19 WeakPolarHBondContact O-CB 3.23Å; V15-K19 PolarHBondContact O-N 3.38Å; V15-F71 HydrophobicContact CG1-CE1 4.37Å; V15-F71 HydrophobicContact CG1-CZ 4.26Å; V15-L75 HydrophobicContact CG1-CD1 4.37Å; V15-L75 HydrophobicContact CG2-CD2 4.5Å
16K97.1Very high94.8Very high115 Ų11570.8 Ų70.850%0.534%0.34SS..Hα-helixtrans-62.6-47.3176.7-74.2169.2-173.6162.60111.4E12 D13 Q14 K19 D20E12-K16 HydrophobicContact CG-CD 4.43Å; E12-K16 WeakPolarHBondContact O-CG 3.34Å; E12-K16 PolarHBondContact O-N 2.93Å; E12-K16 WeakPolarHBondContact OE1-CE 3.47Å; E12-K16 IonicContact OE1-NZ 3.05Å; E12-K16 PolarHBondContact OE1-NZ 3.46Å; D13-K16 WeakPolarHBondContact O-CB 3.42Å; D13-K16 PolarHBondContact O-N 3Å; Q14-K16 VanDerWaalsContact C-N 3.33Å; Q14-K16 PolarHBondContact O-N 2.95Å; K16-K19 WeakPolarHBondContact O-CB 3.47Å; K16-K19 PolarHBondContact O-N 3.34Å; K16-D20 PolarHBondContact O-N 3.44Å
17I96.8Very high95.1Very high86 Ų8672 Ų7244%0.44134%0.339SS..Hα-helixtrans-61.3-46.6177.6-65.7164.5000110.6D13 Q14 K19 D20 V21 L45D13-I17 WeakPolarHBondContact O-CG1 3.43Å; D13-I17 PolarHBondContact O-N 3.1Å; Q14-I17 PolarHBondContact O-N 3.06Å; I17-K19 VanDerWaalsContact C-N 3.29Å; I17-K19 PolarHBondContact O-N 3.29Å; I17-D20 PolarHBondContact O-N 3.46Å; I17-V21 PolarHBondContact O-N 2.9Å; I17-L45 HydrophobicContact CG2-CD2 3.62Å
18A97.5Very high95.5Very high0 Ų074.8 Ų74.80%034%0.338CS..Hα-helixtrans-57.9-41.517600000111.9Q14 V15 V21 F22 F71 F74 L75 Y78Q14-A18 VanDerWaalsContact O-CB 3.31Å; Q14-A18 WeakPolarHBondContact O-CB 3.4Å; Q14-A18 PolarHBondContact O-N 3.06Å; V15-A18 PolarHBondContact O-N 2.97Å; A18-V21 PolarHBondContact O-N 3.34Å; A18-F22 WeakPolarHBondContact O-CB 3.49Å; A18-F22 PolarHBondContact O-N 2.84Å; A18-F71 HydrophobicContact CB-CE2 4.47Å; A18-F74 HydrophobicContact CB-CE1 4.03Å; A18-L75 HydrophobicContact CB-CD2 3.85Å; A18-Y78 HydrophobicContact CB-CD1 3.75Å; A18-Y78 HydrophobicContact CB-CE1 3.74Å
19K97.3Very high95.5Very high101 Ų10176.7 Ų76.744%0.43936%0.364SS..Hα-helixtrans-63.8-41.7176.9-168.3169.2-172.2165.70112.6V15 K16 I17 V21 F22 K23 F71V15-K19 WeakPolarHBondContact O-CB 3.23Å; V15-K19 PolarHBondContact O-N 3.38Å; K16-K19 WeakPolarHBondContact O-CB 3.47Å; K16-K19 PolarHBondContact O-N 3.34Å; I17-K19 VanDerWaalsContact C-N 3.29Å; I17-K19 PolarHBondContact O-N 3.29Å; K19-V21 VanDerWaalsContact C-N 3.34Å; K19-F22 PolarHBondContact O-N 3.13Å; K19-K23 WeakPolarHBondContact O-CG 3.3Å; K19-K23 PolarHBondContact O-N 3.07Å; K19-F71 VanDerWaalsContact CA-CE2 3.46Å; K19-F71 HydrophobicContact CB-CE1 4.35Å; K19-F71 HydrophobicContact CB-CE2 3.9Å; K19-F71 HydrophobicContact CB-CZ 3.58Å; K19-F71 HydrophobicContact CD-CE1 4.43Å; K19-F71 HydrophobicContact CD-CZ 4.45Å; K19-F71 HydrophobicContact CG-CE1 4.4Å; K19-F71 HydrophobicContact CG-CE2 4.29Å; K19-F71 HydrophobicContact CG-CZ 4.02Å
20D97Very high95.5Very high93 Ų9378.9 Ų78.950%0.49737%0.371SS..Hα-helixtrans-65.8-38.9177.3-74.5-28.2000111.7K16 I17 R24K16-D20 PolarHBondContact O-N 3.44Å; I17-D20 PolarHBondContact O-N 3.46Å; D20-R24 WeakPolarHBondContact O-CG 3.3Å; D20-R24 PolarHBondContact O-N 3.48Å
21V97.8Very high95.5Very high7 Ų786.4 Ų86.44%0.04241%0.406CS..Hα-helixtrans-66.8-50173.51720000111I17 A18 K19 K23 R24 F25 A41 A44 L45 F74I17-V21 PolarHBondContact O-N 2.9Å; A18-V21 PolarHBondContact O-N 3.34Å; K19-V21 VanDerWaalsContact C-N 3.34Å; V21-K23 VanDerWaalsContact C-N 3.28Å; V21-K23 PolarHBondContact O-N 2.91Å; V21-R24 WeakPolarHBondContact O-CB 3.41Å; V21-R24 PolarHBondContact O-N 3.43Å; V21-F25 HydrophobicContact CG1-CD2 4.09Å; V21-F25 HydrophobicContact CG1-CE2 3.99Å; V21-F25 WeakPolarHBondContact O-CD2 3.36Å; V21-F25 PolarHBondContact O-N 3.2Å; V21-A41 HydrophobicContact CG1-CB 4Å; V21-A41 WeakPolarHBondContact CG1-O 3.3Å; V21-A44 HydrophobicContact CG1-CB 4.01Å; V21-A44 HydrophobicContact CG2-CB 4.34Å; V21-L45 HydrophobicContact CB-CD2 4Å; V21-L45 HydrophobicContact CB-CG 4.2Å; V21-L45 HydrophobicContact CG1-CG 4.16Å; V21-L45 HydrophobicContact CG2-CD2 3.49Å; V21-L45 VanDerWaalsContact CG2-CD2 3.49Å; V21-L45 HydrophobicContact CG2-CG 3.92Å; V21-F74 HydrophobicContact CG1-CZ 4.42Å
22F97.9Very high95.5Very high9 Ų985.3 Ų85.34%0.03940%0.399CS..Hα-helixtrans-51.7-47.1179-179.3-89.3000112A18 K19 R24 F25 D26 I33 F71 F74A18-F22 WeakPolarHBondContact O-CB 3.49Å; A18-F22 PolarHBondContact O-N 2.84Å; K19-F22 PolarHBondContact O-N 3.13Å; F22-R24 PolarHBondContact O-N 3.38Å; F22-F25 PolarHBondContact O-N 2.91Å; F22-D26 HydrophobicContact CE1-CB 4.24Å; F22-D26 PolarHBondContact O-N 2.69Å; F22-I33 HydrophobicContact CD2-CD1 3.97Å; F22-I33 HydrophobicContact CD2-CG1 4.23Å; F22-I33 HydrophobicContact CD2-CG2 3.95Å; F22-I33 HydrophobicContact CE1-CG2 4.4Å; F22-I33 HydrophobicContact CE2-CB 4.34Å; F22-I33 HydrophobicContact CE2-CD1 4.09Å; F22-I33 HydrophobicContact CE2-CG1 3.85Å; F22-I33 HydrophobicContact CE2-CG2 3.75Å; F22-I33 HydrophobicContact CG-CG2 4.38Å; F22-I33 HydrophobicContact CZ-CG2 3.99Å; F22-F71 HydrophobicContact CB-CD2 3.82Å; F22-F71 HydrophobicContact CB-CE2 4.07Å; F22-F71 HydrophobicContact CD1-CB 4.36Å; F22-F71 HydrophobicContact CD1-CD2 4.01Å; F22-F71 HydrophobicContact CD2-CB 4.49Å; F22-F71 AromaticContact CD2-CD2 3.89Å; F22-F71 HydrophobicContact CD2-CD2 3.89Å; F22-F71 HydrophobicContact CE1-CB 4.1Å; F22-F71 HydrophobicContact CE2-CB 4.22Å; F22-F71 HydrophobicContact CE2-CD2 4.44Å; F22-F71 AromaticContact CG-CD2 3.64Å; F22-F71 HydrophobicContact CG-CD2 3.64Å; F22-F71 HydrophobicContact CG-CE2 4.38Å; F22-F71 HydrophobicContact CZ-CB 4Å; F22-F74 HydrophobicContact CB-CD1 4.25Å; F22-F74 HydrophobicContact CB-CE1 4.4Å; F22-F74 HydrophobicContact CD2-CB 3.7Å; F22-F74 HydrophobicContact CD2-CD1 4.08Å; F22-F74 HydrophobicContact CD2-CD2 4.29Å; F22-F74 AromaticContact CD2-CG 3.76Å; F22-F74 HydrophobicContact CD2-CG 3.76Å; F22-F74 HydrophobicContact CE2-CB 3.97Å; F22-F74 HydrophobicContact CE2-CG 4.48Å
23K96.5Very high95.6Very high127 Ų12781.1 Ų81.155%0.55238%0.38SS*.Hα-helixtrans-61.2-27.5177.4-76.1180175-174.90114.4K19 V21 F25K19-K23 WeakPolarHBondContact O-CG 3.3Å; K19-K23 PolarHBondContact O-N 3.07Å; V21-K23 VanDerWaalsContact C-N 3.28Å; V21-K23 PolarHBondContact O-N 2.91Å; K23-F25 VanDerWaalsContact C-N 3.27Å
24R96.6Very high95.6Very high175 Ų17577.9 Ų77.966%0.6636%0.364SS*.Hα-helixtrans-70.1-28174.8-67.1171.6-172.6-1723.3111.9D20 V21 F22D20-R24 WeakPolarHBondContact O-CG 3.3Å; D20-R24 PolarHBondContact O-N 3.48Å; V21-R24 WeakPolarHBondContact O-CB 3.41Å; V21-R24 PolarHBondContact O-N 3.43Å; F22-R24 PolarHBondContact O-N 3.38Å
25F96.8Very high95.6Very high35 Ų3577.4 Ų77.415%0.15437%0.365CS..Hα-helixtrans-93.4-25.9179.2-71.8-84.5000112.7V21 F22 K23 K27 I33 D37 P40 A41 A44V21-F25 HydrophobicContact CG1-CD2 4.09Å; V21-F25 HydrophobicContact CG1-CE2 3.99Å; V21-F25 WeakPolarHBondContact O-CD2 3.36Å; V21-F25 PolarHBondContact O-N 3.2Å; F22-F25 PolarHBondContact O-N 2.91Å; K23-F25 VanDerWaalsContact C-N 3.27Å; F25-K27 PolarHBondContact O-N 2.81Å; F25-I33 HydrophobicContact CB-CB 4.34Å; F25-I33 HydrophobicContact CB-CG2 3.76Å; F25-D37 HydrophobicContact CB-CB 4.29Å; F25-D37 HydrophobicContact CD1-CB 3.72Å; F25-D37 HydrophobicContact CG-CB 4.28Å; F25-P40 HydrophobicContact CE1-CB 3.51Å; F25-P40 HydrophobicContact CZ-CB 3.72Å; F25-A41 HydrophobicContact CD2-CB 3.72Å; F25-A41 VanDerWaalsContact CE2-CA 3.41Å; F25-A41 HydrophobicContact CE2-CB 3.72Å; F25-A41 HydrophobicContact CG-CB 4.25Å; F25-A41 HydrophobicContact CZ-CB 4.22Å; F25-A44 HydrophobicContact CE2-CB 4.27Å
26D96.1Very high95.5Very high22 Ų2281.5 Ų81.512%0.11839%0.39CS..  trans-74.465.6167.9-176.814.8000111.5F22 R28 G29 Q30 E31 I33F22-D26 HydrophobicContact CE1-CB 4.24Å; F22-D26 PolarHBondContact O-N 2.69Å; D26-R28 PolarHBondContact O-N 3.05Å; D26-G29 PolarHBondContact O-N 3.4Å; D26-G29 WeakPolarHBondContact OD1-CA 3.49Å; D26-G29 PolarHBondContact OD1-N 3.32Å; D26-G29 VanDerWaalsContact OD2-CA 3.3Å; D26-G29 WeakPolarHBondContact OD2-CA 3.31Å; D26-Q30 PolarHBondContact OD1-N 3.01Å; D26-Q30 PolarHBondContact OD2-N 3.18Å; D26-Q30 VanDerWaalsContact OD2-N 3.16Å; D26-E31 WeakPolarHBondContact OD2-CA 3.24Å; D26-E31 PolarHBondContact OD2-N 3.11Å; D26-I33 HydrophobicContact CB-CG2 4.07Å
27K88.2Confident95.4Very high171 Ų17177.8 Ų77.874%0.74338%0.376SS*.THydrogen-bonded Turntrans-61-18.6-175.5-65.5174.9-173.9167.10113.5F25F25-K27 PolarHBondContact O-N 2.81Å
28R89.6Confident95.4Very high205 Ų20573.7 Ų73.777%0.77436%0.355SS*.THydrogen-bonded Turntrans-107.9-1.8-175.7-64.8-174.4178.8-168.10.9113.1D26 Q30D26-R28 PolarHBondContact O-N 3.05Å; R28-Q30 HydrophobicContact CB-CG 3.73Å; R28-Q30 PolarHBondContact O-N 2.85Å
29G91.7Very high95.4Very high61 Ų6174.6 Ų74.663%0.62936%0.364SS*.SBendtrans61.435.4-176.300000112.4D26 E31D26-G29 PolarHBondContact O-N 3.4Å; D26-G29 WeakPolarHBondContact OD1-CA 3.49Å; D26-G29 PolarHBondContact OD1-N 3.32Å; D26-G29 VanDerWaalsContact OD2-CA 3.3Å; D26-G29 WeakPolarHBondContact OD2-CA 3.31Å; G29-E31 VanDerWaalsContact C-N 3.32Å
30Q92.8Very high95.4Very high97 Ų9772.1 Ų72.145%0.45336%0.358SS..SBendtrans-91.84.8-178.7-68-176.5-16.300112.6D26 R28 K32D26-Q30 PolarHBondContact OD1-N 3.01Å; D26-Q30 PolarHBondContact OD2-N 3.18Å; D26-Q30 VanDerWaalsContact OD2-N 3.16Å; R28-Q30 HydrophobicContact CB-CG 3.73Å; R28-Q30 PolarHBondContact O-N 2.85Å; Q30-K32 HydrophobicContact CB-CD 4.5Å; Q30-K32 HydrophobicContact CB-CG 3.9Å; Q30-K32 PolarHBondContact O-N 2.84Å
31E95.4Very high95.4Very high158 Ų15867.7 Ų67.774%0.73834%0.335SS*.SBendtrans60.124-176.7-56.2-173.8103.400113.1D26 G29D26-E31 WeakPolarHBondContact OD2-CA 3.24Å; D26-E31 PolarHBondContact OD2-N 3.11Å; G29-E31 VanDerWaalsContact C-N 3.32Å
32K96.5Very high95.4Very high78 Ų7867.5 Ų67.534%0.33933%0.333SS..EExtended strand (participates in β ladder)trans-148.6153.7179.467.8-174.4-172.4167.70111.7Q30 F68 I69Q30-K32 HydrophobicContact CB-CD 4.5Å; Q30-K32 HydrophobicContact CB-CG 3.9Å; Q30-K32 PolarHBondContact O-N 2.84Å; K32-F68 HydrophobicContact CB-CB 4.41Å; K32-F68 HydrophobicContact CD-CB 3.94Å; K32-F68 HydrophobicContact CD-CD1 4.16Å; K32-F68 HydrophobicContact CD-CG 4.09Å; K32-F68 HydrophobicContact CG-CB 4.38Å; K32-F68 HydrophobicContact CG-CD1 4.18Å; K32-I69 CarbonylContact C-O 3.6Å; K32-I69 WeakPolarHBondContact CA-O 3.41Å; K32-I69 WeakPolarHBondContact CB-O 3.36Å
33I96.9Very high95.3Very high3 Ų375.5 Ų75.52%0.01536%0.363CS..EExtended strand (participates in β ladder)trans-123.7157.4174.565.5173.8000110.1F22 F25 D26 F68 I69 F74F22-I33 HydrophobicContact CD2-CD1 3.97Å; F22-I33 HydrophobicContact CD2-CG1 4.23Å; F22-I33 HydrophobicContact CD2-CG2 3.95Å; F22-I33 HydrophobicContact CE1-CG2 4.4Å; F22-I33 HydrophobicContact CE2-CB 4.34Å; F22-I33 HydrophobicContact CE2-CD1 4.09Å; F22-I33 HydrophobicContact CE2-CG1 3.85Å; F22-I33 HydrophobicContact CE2-CG2 3.75Å; F22-I33 HydrophobicContact CG-CG2 4.38Å; F22-I33 HydrophobicContact CZ-CG2 3.99Å; F25-I33 HydrophobicContact CB-CB 4.34Å; F25-I33 HydrophobicContact CB-CG2 3.76Å; D26-I33 HydrophobicContact CB-CG2 4.07Å; I33-F68 VanDerWaalsContact O-CA 3.24Å; I33-F68 WeakPolarHBondContact O-CA 3.36Å; I33-I69 HydrophobicContact CD1-CD1 4.32Å; I33-I69 HydrophobicContact CD1-CG1 4.32Å; I33-I69 HydrophobicContact CG1-CD1 4.22Å; I33-I69 HydrophobicContact CG1-CG1 3.69Å; I33-I69 PolarHBondContact N-O 2.97Å; I33-I69 PolarHBondContact O-N 3.35Å; I33-F74 HydrophobicContact CD1-CD2 3.7Å; I33-F74 HydrophobicContact CD1-CE2 4.15Å; I33-F74 HydrophobicContact CD1-CG 4.48Å
34S96.4Very high95.4Very high26 Ų2671.8 Ų71.818%0.18236%0.356CS..EExtended strand (participates in β ladder)trans-67.2143.6172.7-177.70000109.9T36 D37 G67S34-T36 WeakPolarHBondContact CB-OG1 3.31Å; S34-T36 PolarHBondContact O-N 3.32Å; S34-T36 VanDerWaalsContact O-N 3.15Å; S34-T36 PolarHBondContact OG-N 3.12Å; S34-T36 PolarHBondContact OG-OG1 2.62Å; S34-D37 WeakPolarHBondContact CB-OD2 3.38Å; S34-D37 WeakPolarHBondContact O-CB 3.06Å; S34-D37 PolarHBondContact O-N 3.09Å; S34-G67 CarbonylContact C-O 3.54Å; S34-G67 WeakPolarHBondContact CA-O 3.28Å
35T95.7Very high95.4Very high37 Ų3764.6 Ų64.623%0.22733%0.331CS..G310 helixtrans-57.6-28.1170.653.70000111.5D37 L38 A58 D62 G67 I69T35-D37 VanDerWaalsContact C-N 3.25Å; T35-D37 PolarHBondContact O-N 3.37Å; T35-L38 VanDerWaalsContact O-CB 3.3Å; T35-L38 WeakPolarHBondContact O-CB 3.46Å; T35-L38 PolarHBondContact O-N 3.32Å; T35-A58 HydrophobicContact CG2-CB 4.08Å; T35-D62 HydrophobicContact CG2-CB 4.31Å; T35-G67 PolarHBondContact N-O 3.13Å; T35-G67 PolarHBondContact OG1-O 3.22Å; T35-I69 HydrophobicContact CG2-CG2 3.92Å
36T94.8Very high95.4Very high106 Ų10670.1 Ų70.165%0.6536%0.362SS*.G310 helixtrans-68.8-20.517465.10000114S34 L38S34-T36 WeakPolarHBondContact CB-OG1 3.31Å; S34-T36 PolarHBondContact O-N 3.32Å; S34-T36 VanDerWaalsContact O-N 3.15Å; S34-T36 PolarHBondContact OG-N 3.12Å; S34-T36 PolarHBondContact OG-OG1 2.62Å; T36-L38 VanDerWaalsContact C-N 3.33Å
37D95.8Very high95.4Very high37 Ų3770 Ų7020%0.19836%0.361CS..G310 helixtrans-82.5-11.8177.6-71.6-44.8000112.3F25 S34 T35 G39 P40 A41F25-D37 HydrophobicContact CB-CB 4.29Å; F25-D37 HydrophobicContact CD1-CB 3.72Å; F25-D37 HydrophobicContact CG-CB 4.28Å; S34-D37 WeakPolarHBondContact CB-OD2 3.38Å; S34-D37 WeakPolarHBondContact O-CB 3.06Å; S34-D37 PolarHBondContact O-N 3.09Å; T35-D37 VanDerWaalsContact C-N 3.25Å; T35-D37 PolarHBondContact O-N 3.37Å; D37-G39 PolarHBondContact O-N 3.23Å; D37-P40 WeakPolarHBondContact O-CD 3.49Å; D37-A41 VanDerWaalsContact O-CB 3.23Å; D37-A41 WeakPolarHBondContact O-CB 3.15Å; D37-A41 PolarHBondContact O-N 3.07Å
38L96.4Very high95.6Very high0 Ų067.3 Ų67.30%036%0.359CS..Hα-helixtrans-55.9-47.8178.1-81173.2000112.4T35 T36 A41 F42 L54 A58 I69 F74T35-L38 VanDerWaalsContact O-CB 3.3Å; T35-L38 WeakPolarHBondContact O-CB 3.46Å; T35-L38 PolarHBondContact O-N 3.32Å; T36-L38 VanDerWaalsContact C-N 3.33Å; L38-A41 PolarHBondContact O-N 2.92Å; L38-F42 HydrophobicContact CD2-CD2 4.39Å; L38-F42 HydrophobicContact CD2-CE2 3.83Å; L38-F42 WeakPolarHBondContact O-CD2 3.37Å; L38-F42 PolarHBondContact O-N 2.95Å; L38-L54 HydrophobicContact CB-CD1 4.13Å; L38-L54 HydrophobicContact CB-CD2 3.88Å; L38-L54 HydrophobicContact CB-CG 4.07Å; L38-L54 HydrophobicContact CD1-CD1 4.39Å; L38-L54 HydrophobicContact CD1-CG 4.49Å; L38-A58 HydrophobicContact CD1-CB 3.59Å; L38-I69 HydrophobicContact CD1-CD1 4.03Å; L38-I69 HydrophobicContact CD2-CD1 3.48Å; L38-I69 VanDerWaalsContact CD2-CD1 3.48Å; L38-I69 HydrophobicContact CG-CD1 3.88Å; L38-F74 HydrophobicContact CD2-CD2 3.73Å; L38-F74 HydrophobicContact CD2-CE2 4.06Å
39G96.7Very high95.8Very high18 Ų1858.7 Ų58.719%0.18633%0.329CS..Hα-helixtrans-59.7-54.6-178.500000112.4D37 A41 F42 R43 L54D37-G39 PolarHBondContact O-N 3.23Å; G39-A41 VanDerWaalsContact C-N 3.31Å; G39-A41 PolarHBondContact O-N 2.95Å; G39-F42 PolarHBondContact O-N 3.49Å; G39-R43 WeakPolarHBondContact O-CG 3.28Å; G39-R43 PolarHBondContact O-N 2.85Å; G39-R43 VanDerWaalsContact O-N 3.08Å; G39-L54 VanDerWaalsContact CA-CD2 3.49Å
40P97Very high95.9Very high50 Ų5063.3 Ų63.333%0.32533%0.332SS..Hα-helixtrans-55.9-38.5170.9-29.137.3000114.7F25 D37 R43 A44F25-P40 HydrophobicContact CE1-CB 3.51Å; F25-P40 HydrophobicContact CZ-CB 3.72Å; D37-P40 WeakPolarHBondContact O-CD 3.49Å; P40-R43 PolarHBondContact O-N 3.2Å; P40-A44 PolarHBondContact O-N 2.93Å
41A97.6Very high96Very high0 Ų063.6 Ų63.60%034%0.342CS..Hα-helixtrans-65.8-43.3178.100000112.2V21 F25 D37 L38 G39 R43 A44 L45 F74V21-A41 HydrophobicContact CG1-CB 4Å; V21-A41 WeakPolarHBondContact CG1-O 3.3Å; F25-A41 HydrophobicContact CD2-CB 3.72Å; F25-A41 VanDerWaalsContact CE2-CA 3.41Å; F25-A41 HydrophobicContact CE2-CB 3.72Å; F25-A41 HydrophobicContact CG-CB 4.25Å; F25-A41 HydrophobicContact CZ-CB 4.22Å; D37-A41 VanDerWaalsContact O-CB 3.23Å; D37-A41 WeakPolarHBondContact O-CB 3.15Å; D37-A41 PolarHBondContact O-N 3.07Å; L38-A41 PolarHBondContact O-N 2.92Å; G39-A41 VanDerWaalsContact C-N 3.31Å; G39-A41 PolarHBondContact O-N 2.95Å; A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 2.84Å; A41-A44 WeakPolarHBondContact O-CB 3.46Å; A41-A44 PolarHBondContact O-N 2.77Å; A41-A44 VanDerWaalsContact O-N 3.09Å; A41-L45 PolarHBondContact O-N 3.44Å; A41-L45 VanDerWaalsContact O-N 3.11Å; A41-F74 HydrophobicContact CB-CE2 3.75Å; A41-F74 HydrophobicContact CB-CZ 4.12Å
42F97.5Very high96Very high2 Ų261.9 Ų61.91%0.00934%0.338CS..Hα-helixtrans-64.1-40.3175.9-84.6-121.9000111.3L38 G39 A44 L45 N46 L47 V49 L54 W57 F74 C77 K81L38-F42 HydrophobicContact CD2-CD2 4.39Å; L38-F42 HydrophobicContact CD2-CE2 3.83Å; L38-F42 WeakPolarHBondContact O-CD2 3.37Å; L38-F42 PolarHBondContact O-N 2.95Å; G39-F42 PolarHBondContact O-N 3.49Å; F42-A44 VanDerWaalsContact C-N 3.26Å; F42-A44 PolarHBondContact O-N 2.96Å; F42-L45 CarbonylContact O-C 3.55Å; F42-L45 WeakPolarHBondContact O-CA 3.4Å; F42-L45 WeakPolarHBondContact O-CB 3.45Å; F42-L45 PolarHBondContact O-N 2.92Å; F42-N46 PolarHBondContact O-N 3.3Å; F42-L47 CarbonylContact C-O 3.22Å; F42-L47 HydrophobicContact CB-CB 4.3Å; F42-L47 HydrophobicContact CD1-CB 4.15Å; F42-L47 HydrophobicContact CD1-CD1 4.26Å; F42-L47 PolarHBondContact O-N 3.1Å; F42-L47 VanDerWaalsContact O-O 3.12Å; F42-V49 HydrophobicContact CD1-CG2 3.46Å; F42-V49 VanDerWaalsContact CD1-CG2 3.46Å; F42-V49 HydrophobicContact CE1-CG2 3.8Å; F42-V49 HydrophobicContact CG-CG2 4.47Å; F42-L54 HydrophobicContact CE1-CD1 4.36Å; F42-L54 HydrophobicContact CE2-CD1 4.3Å; F42-L54 HydrophobicContact CZ-CD1 4.21Å; F42-W57 HydrophobicContact CE1-CZ3 4.13Å; F42-F74 HydrophobicContact CD2-CE2 4.21Å; F42-F74 HydrophobicContact CE2-CD2 4.5Å; F42-F74 AromaticContact CE2-CE2 3.93Å; F42-F74 HydrophobicContact CE2-CE2 3.93Å; F42-F74 HydrophobicContact CE2-CZ 4.46Å; F42-C77 HydrophobicContact CE2-CB 4.27Å; F42-C77 HydrophobicContact CZ-CB 3.77Å; F42-K81 HydrophobicContact CE1-CB 3.92Å; F42-K81 HydrophobicContact CE1-CG 4.44Å
43R97.4Very high95.9Very high177 Ų17759.9 Ų59.967%0.66833%0.332SS*.Hα-helixtrans-60.8-35.9172.2-68.9179-168.1130.32.5112.5G39 P40 A41 L45 N46 L47G39-R43 WeakPolarHBondContact O-CG 3.28Å; G39-R43 PolarHBondContact O-N 2.85Å; G39-R43 VanDerWaalsContact O-N 3.08Å; P40-R43 PolarHBondContact O-N 3.2Å; A41-R43 VanDerWaalsContact C-N 3.34Å; A41-R43 PolarHBondContact O-N 2.84Å; R43-L45 PolarHBondContact O-N 2.98Å; R43-N46 WeakPolarHBondContact O-CA 3.26Å; R43-N46 PolarHBondContact O-N 2.94Å; R43-L47 PolarHBondContact N-O 3.43Å
44A97.3Very high95.9Very high50 Ų5060.5 Ų60.541%0.41334%0.336SS..Hα-helixtrans-68.9-22.6174.800000113.1V21 F25 P40 A41 F42 N46V21-A44 HydrophobicContact CG1-CB 4.01Å; V21-A44 HydrophobicContact CG2-CB 4.34Å; F25-A44 HydrophobicContact CE2-CB 4.27Å; P40-A44 PolarHBondContact O-N 2.93Å; A41-A44 WeakPolarHBondContact O-CB 3.46Å; A41-A44 PolarHBondContact O-N 2.77Å; A41-A44 VanDerWaalsContact O-N 3.09Å; F42-A44 VanDerWaalsContact C-N 3.26Å; F42-A44 PolarHBondContact O-N 2.96Å; A44-N46 VanDerWaalsContact C-N 3.28Å
45L97Very high95.8Very high24 Ų2465.6 Ų65.613%0.12635%0.354CS..THydrogen-bonded Turntrans-85.64.3169.1-66.1168.5000113I17 V21 A41 F42 R43 L47 F74 Y78I17-L45 HydrophobicContact CG2-CD2 3.62Å; V21-L45 HydrophobicContact CB-CD2 4Å; V21-L45 HydrophobicContact CB-CG 4.2Å; V21-L45 HydrophobicContact CG1-CG 4.16Å; V21-L45 HydrophobicContact CG2-CD2 3.49Å; V21-L45 VanDerWaalsContact CG2-CD2 3.49Å; V21-L45 HydrophobicContact CG2-CG 3.92Å; A41-L45 PolarHBondContact O-N 3.44Å; A41-L45 VanDerWaalsContact O-N 3.11Å; F42-L45 CarbonylContact O-C 3.55Å; F42-L45 WeakPolarHBondContact O-CA 3.4Å; F42-L45 WeakPolarHBondContact O-CB 3.45Å; F42-L45 PolarHBondContact O-N 2.92Å; R43-L45 PolarHBondContact O-N 2.98Å; L45-L47 HydrophobicContact CB-CD1 4.25Å; L45-L47 HydrophobicContact CB-CG 4.18Å; L45-L47 PolarHBondContact O-N 2.62Å; L45-F74 HydrophobicContact CD1-CE1 4.2Å; L45-F74 HydrophobicContact CD1-CZ 3.8Å; L45-Y78 HydrophobicContact CD1-CD2 3.79Å; L45-Y78 HydrophobicContact CD1-CE2 3.84Å; L45-Y78 HydrophobicContact CD1-CG 4.4Å
46N96.3Very high95.8Very high150 Ų15069.1 Ų69.180%0.80237%0.369SS*.THydrogen-bonded Turntrans59.930.2-172.8-15968000113.4F42 R43 A44F42-N46 PolarHBondContact O-N 3.3Å; R43-N46 WeakPolarHBondContact O-CA 3.26Å; R43-N46 PolarHBondContact O-N 2.94Å; A44-N46 VanDerWaalsContact C-N 3.28Å
47L96Very high95.8Very high20 Ų2065.3 Ų65.311%0.10534%0.342CS..  trans-107.8145.5174.7-63.3178.8000110.7F42 R43 L45 Y78 K81F42-L47 CarbonylContact C-O 3.22Å; F42-L47 HydrophobicContact CB-CB 4.3Å; F42-L47 HydrophobicContact CD1-CB 4.15Å; F42-L47 HydrophobicContact CD1-CD1 4.26Å; F42-L47 PolarHBondContact O-N 3.1Å; F42-L47 VanDerWaalsContact O-O 3.12Å; R43-L47 PolarHBondContact N-O 3.43Å; L45-L47 HydrophobicContact CB-CD1 4.25Å; L45-L47 HydrophobicContact CB-CG 4.18Å; L45-L47 PolarHBondContact O-N 2.62Å; L47-Y78 HydrophobicContact CD1-CD2 3.6Å; L47-Y78 HydrophobicContact CD1-CE2 3.46Å; L47-Y78 VanDerWaalsContact CD1-CE2 3.46Å; L47-K81 HydrophobicContact CB-CG 4.36Å; L47-K81 HydrophobicContact CD1-CB 4.36Å; L47-K81 HydrophobicContact CD1-CG 3.85Å; L47-K81 HydrophobicContact CD2-CG 4.22Å; L47-K81 HydrophobicContact CG-CG 4.39Å
48T92.2Very high95.8Very high115 Ų11563.8 Ų63.871%0.70634%0.335SS*.  trans-123.1128173.7-59.50000109.2K81T48-K81 WeakPolarHBondContact O-CE 3.29Å
49V94.5Very high95.8Very high24 Ų2468.3 Ų68.315%0.14536%0.359CS..  trans-129.6141.3177.2-174.70000107.5F42 T53 L54 W57 K81F42-V49 HydrophobicContact CD1-CG2 3.46Å; F42-V49 VanDerWaalsContact CD1-CG2 3.46Å; F42-V49 HydrophobicContact CE1-CG2 3.8Å; F42-V49 HydrophobicContact CG-CG2 4.47Å; V49-T53 HydrophobicContact CG1-CG2 4.09Å; V49-L54 HydrophobicContact CB-CB 4.37Å; V49-L54 HydrophobicContact CB-CD1 4.42Å; V49-L54 HydrophobicContact CG1-CB 3.93Å; V49-L54 HydrophobicContact CG1-CD1 4.31Å; V49-W57 HydrophobicContact CB-CZ3 4.4Å; V49-W57 HydrophobicContact CG1-CE3 4.19Å; V49-W57 HydrophobicContact CG1-CH2 3.89Å; V49-W57 HydrophobicContact CG1-CZ3 3.66Å; V49-W57 HydrophobicContact CG2-CH2 4.27Å; V49-W57 HydrophobicContact CG2-CZ3 3.83Å; V49-K81 HydrophobicContact CG2-CB 4.38Å; V49-K81 HydrophobicContact CG2-CD 3.97Å; V49-K81 HydrophobicContact CG2-CG 4.01Å
50K94.8Very high95.6Very high158 Ų15873.3 Ų73.369%0.68738%0.378SS*.  trans-61.7140.9176.4-70.2178.6-177.6169.50109.8D52 T53 L54K50-D52 VanDerWaalsContact C-N 3.29Å; K50-D52 PolarHBondContact O-N 2.95Å; K50-T53 PolarHBondContact O-N 2.92Å; K50-L54 WeakPolarHBondContact O-CB 3.27Å; K50-L54 PolarHBondContact O-N 2.92Å
51P94.4Very high95.5Very high102 Ų10272.6 Ų72.666%0.66237%0.372SS*.Hα-helixtrans-55.4-40.9-178.2-27.635.6000113.9L54 K55P51-L54 PolarHBondContact O-N 3.3Å; P51-K55 WeakPolarHBondContact O-CB 3.5Å; P51-K55 PolarHBondContact O-N 3.26Å
52D95.8Very high95.5Very high122 Ų12273.4 Ų73.465%0.65238%0.376SS*.Hα-helixtrans-64.9-50.8178.9-57.7-80.4000111.4K50 L54 K55 E56K50-D52 VanDerWaalsContact C-N 3.29Å; K50-D52 PolarHBondContact O-N 2.95Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.48Å; D52-K55 WeakPolarHBondContact O-CA 3.33Å; D52-K55 WeakPolarHBondContact O-CB 3.49Å; D52-K55 PolarHBondContact O-N 2.9Å; D52-E56 WeakPolarHBondContact O-CG 3.4Å; D52-E56 PolarHBondContact O-N 3.32Å
53T94.6Very high95.1Very high36 Ų3680.2 Ų80.222%0.22141%0.413CS..Hα-helixtrans-57.5-42.4175.5-510000112.3V49 K50 K55 E56 W57V49-T53 HydrophobicContact CG1-CG2 4.09Å; K50-T53 PolarHBondContact O-N 2.92Å; T53-K55 VanDerWaalsContact C-N 3.3Å; T53-K55 PolarHBondContact O-N 2.67Å; T53-E56 PolarHBondContact O-N 3.02Å; T53-W57 HydrophobicContact CG2-CD2 4.25Å; T53-W57 HydrophobicContact CG2-CH2 4.27Å; T53-W57 HydrophobicContact CG2-CZ2 3.58Å; T53-W57 VanDerWaalsContact O-CG 3.31Å; T53-W57 PolarHBondContact O-N 2.83Å
54L95.5Very high94.9Very high17 Ų1778.5 Ų78.59%0.08942%0.417CS..Hα-helixtrans-67-34.5178.8-169.962.5000111.9L38 G39 F42 V49 K50 P51 D52 W57 A58L38-L54 HydrophobicContact CB-CD1 4.13Å; L38-L54 HydrophobicContact CB-CD2 3.88Å; L38-L54 HydrophobicContact CB-CG 4.07Å; L38-L54 HydrophobicContact CD1-CD1 4.39Å; L38-L54 HydrophobicContact CD1-CG 4.49Å; G39-L54 VanDerWaalsContact CA-CD2 3.49Å; F42-L54 HydrophobicContact CE1-CD1 4.36Å; F42-L54 HydrophobicContact CE2-CD1 4.3Å; F42-L54 HydrophobicContact CZ-CD1 4.21Å; V49-L54 HydrophobicContact CB-CB 4.37Å; V49-L54 HydrophobicContact CB-CD1 4.42Å; V49-L54 HydrophobicContact CG1-CB 3.93Å; V49-L54 HydrophobicContact CG1-CD1 4.31Å; K50-L54 WeakPolarHBondContact O-CB 3.27Å; K50-L54 PolarHBondContact O-N 2.92Å; P51-L54 PolarHBondContact O-N 3.3Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.48Å; L54-W57 HydrophobicContact CD1-CE3 4.16Å; L54-A58 WeakPolarHBondContact O-CB 3.43Å; L54-A58 PolarHBondContact O-N 2.91Å
55K94.6Very high94.7Very high132 Ų13280.1 Ų80.157%0.57443%0.431SS*.Hα-helixtrans-66.2-46.2173.3-177.4-172.2172.1-166.40110.6P51 D52 T53 W57 A58 D59P51-K55 WeakPolarHBondContact O-CB 3.5Å; P51-K55 PolarHBondContact O-N 3.26Å; D52-K55 WeakPolarHBondContact O-CA 3.33Å; D52-K55 WeakPolarHBondContact O-CB 3.49Å; D52-K55 PolarHBondContact O-N 2.9Å; T53-K55 VanDerWaalsContact C-N 3.3Å; T53-K55 PolarHBondContact O-N 2.67Å; K55-W57 VanDerWaalsContact C-N 3.29Å; K55-W57 PolarHBondContact O-N 3.27Å; K55-A58 WeakPolarHBondContact O-CB 3.4Å; K55-A58 PolarHBondContact O-N 2.96Å; K55-A58 VanDerWaalsContact O-N 3.1Å; K55-D59 VanDerWaalsContact O-CG 3.31Å; K55-D59 PolarHBondContact O-N 3.29Å
56E95.6Very high94.6Very high112 Ų11282.7 Ų82.752%0.52345%0.447SS..Hα-helixtrans-57.8-43175.8-68.117698.100111.6D52 T53 D59 Q60D52-E56 WeakPolarHBondContact O-CG 3.4Å; D52-E56 PolarHBondContact O-N 3.32Å; T53-E56 PolarHBondContact O-N 3.02Å; E56-D59 PolarHBondContact O-N 3.35Å; E56-Q60 VanDerWaalsContact O-CG 3.28Å; E56-Q60 WeakPolarHBondContact O-CG 3.48Å; E56-Q60 PolarHBondContact O-N 3.44Å; E56-Q60 VanDerWaalsContact O-N 3.11Å
57W95.8Very high94.6Very high26 Ų2676.6 Ų76.610%0.09842%0.42CS..Hα-helixtrans-65.8-39.6175.4-64.2-5.9000112.4F42 V49 T53 L54 K55 Q60 V61 C77 K80 K81F42-W57 HydrophobicContact CE1-CZ3 4.13Å; V49-W57 HydrophobicContact CB-CZ3 4.4Å; V49-W57 HydrophobicContact CG1-CE3 4.19Å; V49-W57 HydrophobicContact CG1-CH2 3.89Å; V49-W57 HydrophobicContact CG1-CZ3 3.66Å; V49-W57 HydrophobicContact CG2-CH2 4.27Å; V49-W57 HydrophobicContact CG2-CZ3 3.83Å; T53-W57 HydrophobicContact CG2-CD2 4.25Å; T53-W57 HydrophobicContact CG2-CH2 4.27Å; T53-W57 HydrophobicContact CG2-CZ2 3.58Å; T53-W57 VanDerWaalsContact O-CG 3.31Å; T53-W57 PolarHBondContact O-N 2.83Å; L54-W57 HydrophobicContact CD1-CE3 4.16Å; K55-W57 VanDerWaalsContact C-N 3.29Å; K55-W57 PolarHBondContact O-N 3.27Å; W57-Q60 PolarHBondContact O-N 2.84Å; W57-V61 WeakPolarHBondContact O-CG2 3.38Å; W57-V61 PolarHBondContact O-N 3.47Å; W57-C77 HydrophobicContact CE3-CB 4.42Å; W57-K80 HydrophobicContact CD2-CB 4.22Å; W57-K80 HydrophobicContact CD2-CD 4.03Å; W57-K80 HydrophobicContact CE3-CB 4.38Å; W57-K80 HydrophobicContact CG-CD 3.89Å; W57-K80 HydrophobicContact CH2-CB 4.19Å; W57-K80 HydrophobicContact CZ2-CB 4.02Å; W57-K80 HydrophobicContact CZ3-CB 4.36Å; W57-K81 HydrophobicContact CH2-CB 3.93Å; W57-K81 HydrophobicContact CH2-CD 4.4Å; W57-K81 HydrophobicContact CZ3-CB 3.87Å
58A95.6Very high94.6Very high5 Ų579.5 Ų79.54%0.04143%0.432CS..Hα-helixtrans-62.6-46.8176.200000111.7T35 L38 L54 K55 Q60 V61 D62T35-A58 HydrophobicContact CG2-CB 4.08Å; L38-A58 HydrophobicContact CD1-CB 3.59Å; L54-A58 WeakPolarHBondContact O-CB 3.43Å; L54-A58 PolarHBondContact O-N 2.91Å; K55-A58 WeakPolarHBondContact O-CB 3.4Å; K55-A58 PolarHBondContact O-N 2.96Å; K55-A58 VanDerWaalsContact O-N 3.1Å; A58-Q60 PolarHBondContact O-N 2.84Å; A58-V61 VanDerWaalsContact O-CG2 3.3Å; A58-V61 WeakPolarHBondContact O-CG2 3.22Å; A58-V61 PolarHBondContact O-N 3.43Å; A58-V61 VanDerWaalsContact O-N 3.14Å; A58-D62 WeakPolarHBondContact O-CB 3.34Å; A58-D62 PolarHBondContact O-N 3.09Å
59D95.4Very high94.8Very high94 Ų9474.3 Ų74.350%0.50340%0.4SS..Hα-helixtrans-62.1-33178.7-68.8-22.5000111.1K55 E56K55-D59 VanDerWaalsContact O-CG 3.31Å; K55-D59 PolarHBondContact O-N 3.29Å; E56-D59 PolarHBondContact O-N 3.35Å
60Q93.8Very high94.9Very high124 Ų12477 Ų7758%0.57941%0.413SS*.Hα-helixtrans-71.2-29.5175.7-73.6175.539.600114.1E56 W57 A58E56-Q60 VanDerWaalsContact O-CG 3.28Å; E56-Q60 WeakPolarHBondContact O-CG 3.48Å; E56-Q60 PolarHBondContact O-N 3.44Å; E56-Q60 VanDerWaalsContact O-N 3.11Å; W57-Q60 PolarHBondContact O-N 2.84Å; A58-Q60 PolarHBondContact O-N 2.84Å
61V95.1Very high95Very high34 Ų3471.5 Ų71.521%0.20639%0.389CS..Hα-helixtrans-97.1-16.5-179.7-61.70000113.3W57 A58 I69 I76W57-V61 WeakPolarHBondContact O-CG2 3.38Å; W57-V61 PolarHBondContact O-N 3.47Å; A58-V61 VanDerWaalsContact O-CG2 3.3Å; A58-V61 WeakPolarHBondContact O-CG2 3.22Å; A58-V61 PolarHBondContact O-N 3.43Å; A58-V61 VanDerWaalsContact O-N 3.14Å; V61-I69 HydrophobicContact CG2-CB 4.36Å; V61-I69 HydrophobicContact CG2-CG2 3.51Å; V61-I76 HydrophobicContact CG1-CB 3.84Å; V61-I76 HydrophobicContact CG1-CD1 4.19Å; V61-I76 HydrophobicContact CG1-CG2 3.61Å
62D96.2Very high95Very high17 Ų1770.7 Ų70.79%0.09138%0.38CS..  trans-107.359.1175.1-175.531.9000110T35 A58 D64 A65 T66 G67 I69T35-D62 HydrophobicContact CG2-CB 4.31Å; A58-D62 WeakPolarHBondContact O-CB 3.34Å; A58-D62 PolarHBondContact O-N 3.09Å; D62-D64 PolarHBondContact O-N 3.08Å; D62-A65 WeakPolarHBondContact O-CA 3.27Å; D62-A65 PolarHBondContact O-N 2.86Å; D62-T66 VanDerWaalsContact CG-N 3.32Å; D62-T66 WeakPolarHBondContact OD1-CB 3.35Å; D62-T66 PolarHBondContact OD1-N 3.35Å; D62-T66 PolarHBondContact OD1-OG1 2.85Å; D62-T66 PolarHBondContact OD2-N 2.89Å; D62-T66 VanDerWaalsContact OD2-N 3.11Å; D62-G67 VanDerWaalsContact OD2-CA 3.29Å; D62-G67 WeakPolarHBondContact OD2-CA 3.44Å; D62-G67 PolarHBondContact OD2-N 2.81Å; D62-I69 HydrophobicContact CB-CG2 4.1Å
63D90.1Very high95.1Very high146 Ų14665.1 Ų65.178%0.78135%0.351SS*.THydrogen-bonded Turntrans-55.6-33.6-176.6-174.3-112.6000112.9A65D63-A65 PolarHBondContact O-N 3.02Å
64D92.4Very high95.2Very high140 Ų14063.4 Ų63.475%0.74934%0.34SS*.THydrogen-bonded Turntrans-79.62.4176.2-67-70.3000113.8D62 T66D62-D64 PolarHBondContact O-N 3.08Å; D64-T66 HydrophobicContact CB-CG2 3.68Å; D64-T66 PolarHBondContact O-N 3.43Å
65A92.8Very high95.3Very high85 Ų8562.8 Ų62.870%0.70234%0.337SS*.  trans49.541.3-178.500000113.5D62 D63 G67D62-A65 WeakPolarHBondContact O-CA 3.27Å; D62-A65 PolarHBondContact O-N 2.86Å; D63-A65 PolarHBondContact O-N 3.02Å; A65-G67 VanDerWaalsContact C-N 3.27Å; A65-G67 PolarHBondContact O-N 3.38Å
66T95.3Very high95.3Very high77 Ų7759.1 Ų59.147%0.47232%0.324SS..  trans-75-19.1-176.970.90000113D62 D64 F68D62-T66 VanDerWaalsContact CG-N 3.32Å; D62-T66 WeakPolarHBondContact OD1-CB 3.35Å; D62-T66 PolarHBondContact OD1-N 3.35Å; D62-T66 PolarHBondContact OD1-OG1 2.85Å; D62-T66 PolarHBondContact OD2-N 2.89Å; D62-T66 VanDerWaalsContact OD2-N 3.11Å; D64-T66 HydrophobicContact CB-CG2 3.68Å; D64-T66 PolarHBondContact O-N 3.43Å; T66-F68 VanDerWaalsContact C-N 3.28Å; T66-F68 VanDerWaalsContact O-CD2 3.23Å; T66-F68 WeakPolarHBondContact O-CD2 3.35Å; T66-F68 PolarHBondContact OG1-N 3.19Å; T66-F68 PolarHBondContact OG1-O 2.97Å; T66-F68 VanDerWaalsContact OG1-O 3.12Å
67G95.8Very high95.4Very high23 Ų2353.8 Ų53.824%0.23730%0.299CS..SBendtrans78.29.7-167.700000113.4S34 T35 D62 A65S34-G67 CarbonylContact C-O 3.54Å; S34-G67 WeakPolarHBondContact CA-O 3.28Å; T35-G67 PolarHBondContact N-O 3.13Å; T35-G67 PolarHBondContact OG1-O 3.22Å; D62-G67 VanDerWaalsContact OD2-CA 3.29Å; D62-G67 WeakPolarHBondContact OD2-CA 3.44Å; D62-G67 PolarHBondContact OD2-N 2.81Å; A65-G67 VanDerWaalsContact C-N 3.27Å; A65-G67 PolarHBondContact O-N 3.38Å
68F96.5Very high95.4Very high81 Ų8153.2 Ų53.236%0.35530%0.297SS..EExtended strand (participates in β ladder)trans-133.9146-177.8-62.7-88.3000112K32 I33 T66K32-F68 HydrophobicContact CB-CB 4.41Å; K32-F68 HydrophobicContact CD-CB 3.94Å; K32-F68 HydrophobicContact CD-CD1 4.16Å; K32-F68 HydrophobicContact CD-CG 4.09Å; K32-F68 HydrophobicContact CG-CB 4.38Å; K32-F68 HydrophobicContact CG-CD1 4.18Å; I33-F68 VanDerWaalsContact O-CA 3.24Å; I33-F68 WeakPolarHBondContact O-CA 3.36Å; T66-F68 VanDerWaalsContact C-N 3.28Å; T66-F68 VanDerWaalsContact O-CD2 3.23Å; T66-F68 WeakPolarHBondContact O-CD2 3.35Å; T66-F68 PolarHBondContact OG1-N 3.19Å; T66-F68 PolarHBondContact OG1-O 2.97Å; T66-F68 VanDerWaalsContact OG1-O 3.12Å
69I96.4Very high95.5Very high5 Ų553 Ų533%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-126.7144.9174.364.7174.1000110K32 I33 T35 L38 V61 D62 F74K32-I69 CarbonylContact C-O 3.6Å; K32-I69 WeakPolarHBondContact CA-O 3.41Å; K32-I69 WeakPolarHBondContact CB-O 3.36Å; I33-I69 HydrophobicContact CD1-CD1 4.32Å; I33-I69 HydrophobicContact CD1-CG1 4.32Å; I33-I69 HydrophobicContact CG1-CD1 4.22Å; I33-I69 HydrophobicContact CG1-CG1 3.69Å; I33-I69 PolarHBondContact N-O 2.97Å; I33-I69 PolarHBondContact O-N 3.35Å; T35-I69 HydrophobicContact CG2-CG2 3.92Å; L38-I69 HydrophobicContact CD1-CD1 4.03Å; L38-I69 HydrophobicContact CD2-CD1 3.48Å; L38-I69 VanDerWaalsContact CD2-CD1 3.48Å; L38-I69 HydrophobicContact CG-CD1 3.88Å; V61-I69 HydrophobicContact CG2-CB 4.36Å; V61-I69 HydrophobicContact CG2-CG2 3.51Å; D62-I69 HydrophobicContact CB-CG2 4.1Å; I69-F74 HydrophobicContact CD1-CB 4.15Å; I69-F74 HydrophobicContact CD1-CD2 4.42Å
70D96.5Very high95.4Very high80 Ų8050.7 Ų50.743%0.42828%0.28SS..EExtended strand (participates in β ladder)trans-81-176.4171.975.44.9000111.3N72 G73 F74D70-N72 VanDerWaalsContact C-N 3.28Å; D70-N72 PolarHBondContact O-N 2.95Å; D70-N72 WeakPolarHBondContact OD1-CA 3.14Å; D70-N72 WeakPolarHBondContact OD1-CB 3.37Å; D70-N72 PolarHBondContact OD1-N 2.64Å; D70-G73 PolarHBondContact O-N 2.76Å; D70-G73 PolarHBondContact OD1-N 3.44Å; D70-F74 PolarHBondContact O-N 2.95Å
71F96.6Very high95.5Very high43 Ų4345.6 Ų45.619%0.18926%0.256CS..Hα-helixtrans-65.5-30.3179.2-175.6-121.8000113.2V15 A18 K19 F22 F74 L75V15-F71 HydrophobicContact CG1-CE1 4.37Å; V15-F71 HydrophobicContact CG1-CZ 4.26Å; A18-F71 HydrophobicContact CB-CE2 4.47Å; K19-F71 VanDerWaalsContact CA-CE2 3.46Å; K19-F71 HydrophobicContact CB-CE1 4.35Å; K19-F71 HydrophobicContact CB-CE2 3.9Å; K19-F71 HydrophobicContact CB-CZ 3.58Å; K19-F71 HydrophobicContact CD-CE1 4.43Å; K19-F71 HydrophobicContact CD-CZ 4.45Å; K19-F71 HydrophobicContact CG-CE1 4.4Å; K19-F71 HydrophobicContact CG-CE2 4.29Å; K19-F71 HydrophobicContact CG-CZ 4.02Å; F22-F71 HydrophobicContact CB-CD2 3.82Å; F22-F71 HydrophobicContact CB-CE2 4.07Å; F22-F71 HydrophobicContact CD1-CB 4.36Å; F22-F71 HydrophobicContact CD1-CD2 4.01Å; F22-F71 HydrophobicContact CD2-CB 4.49Å; F22-F71 AromaticContact CD2-CD2 3.89Å; F22-F71 HydrophobicContact CD2-CD2 3.89Å; F22-F71 HydrophobicContact CE1-CB 4.1Å; F22-F71 HydrophobicContact CE2-CB 4.22Å; F22-F71 HydrophobicContact CE2-CD2 4.44Å; F22-F71 AromaticContact CG-CD2 3.64Å; F22-F71 HydrophobicContact CG-CD2 3.64Å; F22-F71 HydrophobicContact CG-CE2 4.38Å; F22-F71 HydrophobicContact CZ-CB 4Å; F71-F74 HydrophobicContact CD2-CD1 4.39Å; F71-F74 HydrophobicContact CE2-CD1 4.31Å; F71-F74 PolarHBondContact O-N 2.88Å; F71-L75 HydrophobicContact CD1-CD1 4.08Å; F71-L75 HydrophobicContact CD1-CG 4.49Å; F71-L75 HydrophobicContact CE1-CD1 3.59Å; F71-L75 HydrophobicContact CE1-CG 4.09Å; F71-L75 HydrophobicContact CE2-CD1 4.49Å; F71-L75 HydrophobicContact CE2-CD2 4.16Å; F71-L75 HydrophobicContact CE2-CG 4.09Å; F71-L75 HydrophobicContact CZ-CD1 3.82Å; F71-L75 HydrophobicContact CZ-CD2 3.89Å; F71-L75 HydrophobicContact CZ-CG 3.86Å; F71-L75 WeakPolarHBondContact O-CG 3.32Å; F71-L75 PolarHBondContact O-N 3.39Å
72N95.5Very high95.5Very high85 Ų8544.9 Ų44.946%0.45525%0.251SS..Hα-helixtrans-71.1-44.3177.3-66.7-37.7000110.6D70 F74 L75 I76D70-N72 VanDerWaalsContact C-N 3.28Å; D70-N72 PolarHBondContact O-N 2.95Å; D70-N72 WeakPolarHBondContact OD1-CA 3.14Å; D70-N72 WeakPolarHBondContact OD1-CB 3.37Å; D70-N72 PolarHBondContact OD1-N 2.64Å; N72-F74 VanDerWaalsContact C-N 3.28Å; N72-F74 PolarHBondContact O-N 3.3Å; N72-L75 PolarHBondContact O-N 3.18Å; N72-L75 VanDerWaalsContact O-N 3.1Å; N72-I76 WeakPolarHBondContact O-CG1 3.48Å; N72-I76 PolarHBondContact O-N 2.97Å
73G96.2Very high95.4Very high5 Ų547.1 Ų47.15%0.05226%0.261CS..Hα-helixtrans-58.3-40.9172.800000112D70 L75 I76 C77D70-G73 PolarHBondContact O-N 2.76Å; D70-G73 PolarHBondContact OD1-N 3.44Å; G73-L75 PolarHBondContact O-N 2.78Å; G73-I76 PolarHBondContact O-N 3.5Å; G73-C77 PolarHBondContact O-N 2.89Å; G73-C77 PolarHBondContact O-SG 3.41Å
74F97.1Very high95.5Very high0 Ų043.2 Ų43.20%024%0.238CC..Hα-helixtrans-61.6-43.6172.9-176.1-102.4000112.7A18 V21 F22 I33 L38 A41 F42 L45 I69 D70 F71 N72 I76 C77 Y78A18-F74 HydrophobicContact CB-CE1 4.03Å; V21-F74 HydrophobicContact CG1-CZ 4.42Å; F22-F74 HydrophobicContact CB-CD1 4.25Å; F22-F74 HydrophobicContact CB-CE1 4.4Å; F22-F74 HydrophobicContact CD2-CB 3.7Å; F22-F74 HydrophobicContact CD2-CD1 4.08Å; F22-F74 HydrophobicContact CD2-CD2 4.29Å; F22-F74 AromaticContact CD2-CG 3.76Å; F22-F74 HydrophobicContact CD2-CG 3.76Å; F22-F74 HydrophobicContact CE2-CB 3.97Å; F22-F74 HydrophobicContact CE2-CG 4.48Å; I33-F74 HydrophobicContact CD1-CD2 3.7Å; I33-F74 HydrophobicContact CD1-CE2 4.15Å; I33-F74 HydrophobicContact CD1-CG 4.48Å; L38-F74 HydrophobicContact CD2-CD2 3.73Å; L38-F74 HydrophobicContact CD2-CE2 4.06Å; A41-F74 HydrophobicContact CB-CE2 3.75Å; A41-F74 HydrophobicContact CB-CZ 4.12Å; F42-F74 HydrophobicContact CD2-CE2 4.21Å; F42-F74 HydrophobicContact CE2-CD2 4.5Å; F42-F74 AromaticContact CE2-CE2 3.93Å; F42-F74 HydrophobicContact CE2-CE2 3.93Å; F42-F74 HydrophobicContact CE2-CZ 4.46Å; L45-F74 HydrophobicContact CD1-CE1 4.2Å; L45-F74 HydrophobicContact CD1-CZ 3.8Å; I69-F74 HydrophobicContact CD1-CB 4.15Å; I69-F74 HydrophobicContact CD1-CD2 4.42Å; D70-F74 PolarHBondContact O-N 2.95Å; F71-F74 HydrophobicContact CD2-CD1 4.39Å; F71-F74 HydrophobicContact CE2-CD1 4.31Å; F71-F74 PolarHBondContact O-N 2.88Å; N72-F74 VanDerWaalsContact C-N 3.28Å; N72-F74 PolarHBondContact O-N 3.3Å; F74-I76 VanDerWaalsContact C-N 3.34Å; F74-C77 PolarHBondContact O-N 2.9Å; F74-Y78 WeakPolarHBondContact O-CB 3.47Å; F74-Y78 PolarHBondContact O-N 2.85Å
75L97.3Very high95.5Very high4 Ų438.3 Ų38.32%0.02121%0.212CC..Hα-helixtrans-64.9-35.6176.8-74.5179000112.4F3 I5 I10 V15 A18 F71 N72 G73 Y78 G79F3-L75 HydrophobicContact CB-CD1 4.03Å; F3-L75 HydrophobicContact CD1-CB 3.85Å; F3-L75 HydrophobicContact CD1-CD1 4.24Å; F3-L75 HydrophobicContact CD2-CB 4.45Å; F3-L75 HydrophobicContact CD2-CD1 3.57Å; F3-L75 HydrophobicContact CE1-CB 3.79Å; F3-L75 HydrophobicContact CE2-CB 4.41Å; F3-L75 HydrophobicContact CE2-CD1 4.01Å; F3-L75 HydrophobicContact CG-CB 4.18Å; F3-L75 HydrophobicContact CG-CD1 3.69Å; F3-L75 HydrophobicContact CZ-CB 4.09Å; I5-L75 WeakPolarHBondContact CD1-O 3.37Å; I10-L75 HydrophobicContact CD1-CB 4.25Å; I10-L75 HydrophobicContact CD1-CD2 4.16Å; I10-L75 VanDerWaalsContact CD1-O 3.31Å; I10-L75 WeakPolarHBondContact CD1-O 3.14Å; V15-L75 HydrophobicContact CG1-CD1 4.37Å; V15-L75 HydrophobicContact CG2-CD2 4.5Å; A18-L75 HydrophobicContact CB-CD2 3.85Å; F71-L75 HydrophobicContact CD1-CD1 4.08Å; F71-L75 HydrophobicContact CD1-CG 4.49Å; F71-L75 HydrophobicContact CE1-CD1 3.59Å; F71-L75 HydrophobicContact CE1-CG 4.09Å; F71-L75 HydrophobicContact CE2-CD1 4.49Å; F71-L75 HydrophobicContact CE2-CD2 4.16Å; F71-L75 HydrophobicContact CE2-CG 4.09Å; F71-L75 HydrophobicContact CZ-CD1 3.82Å; F71-L75 HydrophobicContact CZ-CD2 3.89Å; F71-L75 HydrophobicContact CZ-CG 3.86Å; F71-L75 WeakPolarHBondContact O-CG 3.32Å; F71-L75 PolarHBondContact O-N 3.39Å; N72-L75 PolarHBondContact O-N 3.18Å; N72-L75 VanDerWaalsContact O-N 3.1Å; G73-L75 PolarHBondContact O-N 2.78Å; L75-Y78 HydrophobicContact CD2-CD1 4.25Å; L75-Y78 PolarHBondContact O-N 3.05Å; L75-G79 PolarHBondContact O-N 3.35Å
76I96.1Very high95.4Very high56 Ų5637.9 Ų37.929%0.28720%0.195SC..Hα-helixtrans-60.1-51.8174-68.9165.8000110.3F3 V61 N72 G73 F74 Y78 G79 K80F3-I76 HydrophobicContact CE1-CG1 4.22Å; F3-I76 HydrophobicContact CZ-CG1 4.35Å; V61-I76 HydrophobicContact CG1-CB 3.84Å; V61-I76 HydrophobicContact CG1-CD1 4.19Å; V61-I76 HydrophobicContact CG1-CG2 3.61Å; N72-I76 WeakPolarHBondContact O-CG1 3.48Å; N72-I76 PolarHBondContact O-N 2.97Å; G73-I76 PolarHBondContact O-N 3.5Å; F74-I76 VanDerWaalsContact C-N 3.34Å; I76-Y78 VanDerWaalsContact C-N 3.33Å; I76-Y78 PolarHBondContact O-N 3.09Å; I76-G79 PolarHBondContact O-N 2.81Å; I76-K80 WeakPolarHBondContact O-CG 3.33Å; I76-K80 PolarHBondContact O-N 2.8Å
77C96.4Very high95.2Very high0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-61.1-42.3177.3-61.50000112F42 W57 G73 F74 K80 K81F42-C77 HydrophobicContact CE2-CB 4.27Å; F42-C77 HydrophobicContact CZ-CB 3.77Å; W57-C77 HydrophobicContact CE3-CB 4.42Å; G73-C77 PolarHBondContact O-N 2.89Å; G73-C77 PolarHBondContact O-SG 3.41Å; F74-C77 PolarHBondContact O-N 2.9Å; C77-K80 PolarHBondContact O-N 3.48Å; C77-K81 PolarHBondContact O-N 2.88Å
78Y97.1Very high94.9Very high14 Ų1439.6 Ų39.66%0.05519%0.194CC..Hα-helixtrans-65.1-42.8179.5176.7-131.7000111.6I10 Q14 A18 L45 L47 F74 L75 I76 K81 L82I10-Y78 HydrophobicContact CD1-CD1 4.18Å; I10-Y78 HydrophobicContact CG2-CD1 4.27Å; I10-Y78 HydrophobicContact CG2-CE1 3.99Å; Q14-Y78 HydrophobicContact CB-CE1 4.14Å; A18-Y78 HydrophobicContact CB-CD1 3.75Å; A18-Y78 HydrophobicContact CB-CE1 3.74Å; L45-Y78 HydrophobicContact CD1-CD2 3.79Å; L45-Y78 HydrophobicContact CD1-CE2 3.84Å; L45-Y78 HydrophobicContact CD1-CG 4.4Å; L47-Y78 HydrophobicContact CD1-CD2 3.6Å; L47-Y78 HydrophobicContact CD1-CE2 3.46Å; L47-Y78 VanDerWaalsContact CD1-CE2 3.46Å; F74-Y78 WeakPolarHBondContact O-CB 3.47Å; F74-Y78 PolarHBondContact O-N 2.85Å; L75-Y78 HydrophobicContact CD2-CD1 4.25Å; L75-Y78 PolarHBondContact O-N 3.05Å; I76-Y78 VanDerWaalsContact C-N 3.33Å; I76-Y78 PolarHBondContact O-N 3.09Å; Y78-K81 PolarHBondContact O-N 3.33Å; Y78-L82 HydrophobicContact CD1-CD1 4.05Å; Y78-L82 HydrophobicContact CD2-CD1 4.37Å; Y78-L82 HydrophobicContact CD2-CG 4.15Å; Y78-L82 HydrophobicContact CE1-CD1 3.61Å; Y78-L82 HydrophobicContact CE1-CG 4.37Å; Y78-L82 HydrophobicContact CE2-CD1 3.97Å; Y78-L82 HydrophobicContact CE2-CD2 3.89Å; Y78-L82 HydrophobicContact CE2-CG 3.82Å; Y78-L82 HydrophobicContact CG-CD1 4.42Å; Y78-L82 WeakPolarHBondContact O-CG 3.18Å; Y78-L82 PolarHBondContact O-N 3.37Å
79G96.2Very high94.7Very high0 Ų041.8 Ų41.80%020%0.2CC..Hα-helixtrans-63.2-41.6176.900000112.8L75 I76 K81 L82 Q83L75-G79 PolarHBondContact O-N 3.35Å; I76-G79 PolarHBondContact O-N 2.81Å; G79-K81 VanDerWaalsContact C-N 3.29Å; G79-K81 PolarHBondContact O-N 3.28Å; G79-L82 PolarHBondContact O-N 3.11Å; G79-L82 VanDerWaalsContact O-N 3.15Å; G79-Q83 WeakPolarHBondContact O-CB 3.43Å; G79-Q83 PolarHBondContact O-N 3.33Å
80K94.9Very high94.4Very high46 Ų4645.6 Ų45.620%0.222%0.22CC..Hα-helixtrans-54.5-44.8172.4-74.6178.1174.7179.90112.2W57 I76 C77 Q83 E84W57-K80 HydrophobicContact CD2-CB 4.22Å; W57-K80 HydrophobicContact CD2-CD 4.03Å; W57-K80 HydrophobicContact CE3-CB 4.38Å; W57-K80 HydrophobicContact CG-CD 3.89Å; W57-K80 HydrophobicContact CH2-CB 4.19Å; W57-K80 HydrophobicContact CZ2-CB 4.02Å; W57-K80 HydrophobicContact CZ3-CB 4.36Å; I76-K80 WeakPolarHBondContact O-CG 3.33Å; I76-K80 PolarHBondContact O-N 2.8Å; C77-K80 PolarHBondContact O-N 3.48Å; K80-Q83 PolarHBondContact O-N 3.16Å; K80-E84 WeakPolarHBondContact O-CB 3.41Å; K80-E84 PolarHBondContact O-N 2.87Å
81K95.3Very high94.1Very high16 Ų1642.8 Ų42.87%0.0721%0.205CC..Hα-helixtrans-67.7-41.3176.4-177.249.9178.1161.80112.8F42 L47 T48 V49 W57 C77 Y78 G79 Q83 E84 D85F42-K81 HydrophobicContact CE1-CB 3.92Å; F42-K81 HydrophobicContact CE1-CG 4.44Å; L47-K81 HydrophobicContact CB-CG 4.36Å; L47-K81 HydrophobicContact CD1-CB 4.36Å; L47-K81 HydrophobicContact CD1-CG 3.85Å; L47-K81 HydrophobicContact CD2-CG 4.22Å; L47-K81 HydrophobicContact CG-CG 4.39Å; T48-K81 WeakPolarHBondContact O-CE 3.29Å; V49-K81 HydrophobicContact CG2-CB 4.38Å; V49-K81 HydrophobicContact CG2-CD 3.97Å; V49-K81 HydrophobicContact CG2-CG 4.01Å; W57-K81 HydrophobicContact CH2-CB 3.93Å; W57-K81 HydrophobicContact CH2-CD 4.4Å; W57-K81 HydrophobicContact CZ3-CB 3.87Å; C77-K81 PolarHBondContact O-N 2.88Å; Y78-K81 PolarHBondContact O-N 3.33Å; G79-K81 VanDerWaalsContact C-N 3.29Å; G79-K81 PolarHBondContact O-N 3.28Å; K81-Q83 VanDerWaalsContact C-N 3.28Å; K81-Q83 PolarHBondContact O-N 3.14Å; K81-E84 WeakPolarHBondContact CD-OE1 3.39Å; K81-E84 IonicContact NZ-OE1 2.94Å; K81-E84 PolarHBondContact NZ-OE1 3.28Å; K81-E84 PolarHBondContact O-N 2.96Å; K81-D85 WeakPolarHBondContact CE-OD1 3.5Å; K81-D85 WeakPolarHBondContact CE-OD2 3.49Å; K81-D85 IonicContact NZ-OD1 2.71Å; K81-D85 PolarHBondContact NZ-OD1 2.91Å; K81-D85 IonicContact NZ-OD2 2.97Å; K81-D85 WeakPolarHBondContact O-CB 3.46Å; K81-D85 PolarHBondContact O-N 3.46Å
82L95.3Very high93.9Very high19 Ų1945.8 Ų45.810%0.09922%0.215CC..Hα-helixtrans-63.6-37177.7-71.2178.7000112.3F8 I10 Y78 G79 Q86F8-L82 HydrophobicContact CE1-CB 3.69Å; F8-L82 HydrophobicContact CE1-CD1 4.29Å; F8-L82 HydrophobicContact CZ-CB 3.52Å; I10-L82 HydrophobicContact CG1-CD1 4.33Å; I10-L82 HydrophobicContact CG2-CD1 3.98Å; Y78-L82 HydrophobicContact CD1-CD1 4.05Å; Y78-L82 HydrophobicContact CD2-CD1 4.37Å; Y78-L82 HydrophobicContact CD2-CG 4.15Å; Y78-L82 HydrophobicContact CE1-CD1 3.61Å; Y78-L82 HydrophobicContact CE1-CG 4.37Å; Y78-L82 HydrophobicContact CE2-CD1 3.97Å; Y78-L82 HydrophobicContact CE2-CD2 3.89Å; Y78-L82 HydrophobicContact CE2-CG 3.82Å; Y78-L82 HydrophobicContact CG-CD1 4.42Å; Y78-L82 WeakPolarHBondContact O-CG 3.18Å; Y78-L82 PolarHBondContact O-N 3.37Å; G79-L82 PolarHBondContact O-N 3.11Å; G79-L82 VanDerWaalsContact O-N 3.15Å; L82-Q86 WeakPolarHBondContact O-CB 3.41Å; L82-Q86 PolarHBondContact O-N 3.26Å
83Q93.4Very high93.6Very high64 Ų6445.7 Ų45.730%0.29922%0.215SC..Hα-helixtrans-66.2-51.7173.9-175.2175.52.300110.6F8 G79 K80 K81 D85 Q86 D87F8-Q83 HydrophobicContact CB-CB 4.35Å; F8-Q83 HydrophobicContact CB-CG 4.32Å; F8-Q83 HydrophobicContact CD1-CB 4.31Å; F8-Q83 HydrophobicContact CD2-CB 3.7Å; F8-Q83 HydrophobicContact CD2-CG 3.91Å; F8-Q83 HydrophobicContact CE2-CB 4.06Å; F8-Q83 HydrophobicContact CG-CB 3.85Å; F8-Q83 HydrophobicContact CG-CG 4.21Å; G79-Q83 WeakPolarHBondContact O-CB 3.43Å; G79-Q83 PolarHBondContact O-N 3.33Å; K80-Q83 PolarHBondContact O-N 3.16Å; K81-Q83 VanDerWaalsContact C-N 3.28Å; K81-Q83 PolarHBondContact O-N 3.14Å; Q83-D85 VanDerWaalsContact C-N 3.29Å; Q83-D85 PolarHBondContact O-N 2.92Å; Q83-Q86 CarbonylContact O-C 3.55Å; Q83-Q86 WeakPolarHBondContact O-CA 3.38Å; Q83-Q86 WeakPolarHBondContact O-CB 3.39Å; Q83-Q86 PolarHBondContact O-N 3.49Å; Q83-D87 WeakPolarHBondContact CG-OD2 3.48Å; Q83-D87 VanDerWaalsContact O-CG 3.27Å; Q83-D87 PolarHBondContact O-N 2.7Å
84E91.7Very high93.3Very high64 Ų6447.4 Ų47.430%0.29923%0.228SC..Hα-helixtrans-53.3-45.1175.5-177-169.895.400112K80 K81 Q86 D87 E88K80-E84 WeakPolarHBondContact O-CB 3.41Å; K80-E84 PolarHBondContact O-N 2.87Å; K81-E84 WeakPolarHBondContact CD-OE1 3.39Å; K81-E84 IonicContact NZ-OE1 2.94Å; K81-E84 PolarHBondContact NZ-OE1 3.28Å; K81-E84 PolarHBondContact O-N 2.96Å; E84-Q86 VanDerWaalsContact C-N 3.3Å; E84-Q86 PolarHBondContact O-N 3.24Å; E84-D87 PolarHBondContact O-N 3.35Å; E84-E88 PolarHBondContact O-N 3.44Å
85D92.6Very high92.9Very high37 Ų3748 Ų4820%0.19823%0.231CC..Hα-helixtrans-67.6-29176.8-75.1-23.3000112.7K81 Q83 R89K81-D85 WeakPolarHBondContact CE-OD1 3.5Å; K81-D85 WeakPolarHBondContact CE-OD2 3.49Å; K81-D85 IonicContact NZ-OD1 2.71Å; K81-D85 PolarHBondContact NZ-OD1 2.91Å; K81-D85 IonicContact NZ-OD2 2.97Å; K81-D85 WeakPolarHBondContact O-CB 3.46Å; K81-D85 PolarHBondContact O-N 3.46Å; Q83-D85 VanDerWaalsContact C-N 3.29Å; Q83-D85 PolarHBondContact O-N 2.92Å; D85-R89 VanDerWaalsContact O-CG 3.26Å; D85-R89 WeakPolarHBondContact O-CG 3.46Å; D85-R89 PolarHBondContact O-N 2.85Å; D85-R89 PolarHBondContact O-NH1 2.96Å
86Q91.1Very high92.6Very high77 Ų7756.1 Ų56.136%0.3626%0.261SS..Hα-helixtrans-74.1-47.4174.3-177.5177.2-39.700110.7L82 Q83 E84 E88 R89 D90L82-Q86 WeakPolarHBondContact O-CB 3.41Å; L82-Q86 PolarHBondContact O-N 3.26Å; Q83-Q86 CarbonylContact O-C 3.55Å; Q83-Q86 WeakPolarHBondContact O-CA 3.38Å; Q83-Q86 WeakPolarHBondContact O-CB 3.39Å; Q83-Q86 PolarHBondContact O-N 3.49Å; E84-Q86 VanDerWaalsContact C-N 3.3Å; E84-Q86 PolarHBondContact O-N 3.24Å; Q86-E88 VanDerWaalsContact C-N 3.33Å; Q86-E88 PolarHBondContact O-N 2.94Å; Q86-R89 VanDerWaalsContact CA-NH2 3.32Å; Q86-R89 WeakPolarHBondContact O-CA 3.28Å; Q86-R89 WeakPolarHBondContact O-CB 3.26Å; Q86-R89 PolarHBondContact O-N 3.15Å; Q86-D90 PolarHBondContact O-N 3.04Å
87D90.4Very high92.3Very high73 Ų7358.8 Ų58.839%0.3928%0.28SS..Hα-helixtrans-60.1-43.3178.7-61.3-26.1000110.5Q83 E84 R89 D90 L91Q83-D87 WeakPolarHBondContact CG-OD2 3.48Å; Q83-D87 VanDerWaalsContact O-CG 3.27Å; Q83-D87 PolarHBondContact O-N 2.7Å; E84-D87 PolarHBondContact O-N 3.35Å; D87-R89 VanDerWaalsContact C-N 3.33Å; D87-R89 PolarHBondContact O-N 3.42Å; D87-D90 PolarHBondContact O-N 3.43Å; D87-L91 WeakPolarHBondContact O-CB 3.44Å; D87-L91 VanDerWaalsContact O-CG 3.27Å; D87-L91 WeakPolarHBondContact O-CG 3.49Å; D87-L91 PolarHBondContact O-N 3.39Å
88E90.6Very high91.9Very high62 Ų6260 Ų6029%0.2929%0.287SS..Hα-helixtrans-61.1-40.6174-169.9-170.1123.600111.9E84 Q86 L91 R92 Y148E84-E88 PolarHBondContact O-N 3.44Å; Q86-E88 VanDerWaalsContact C-N 3.33Å; Q86-E88 PolarHBondContact O-N 2.94Å; E88-L91 PolarHBondContact O-N 2.88Å; E88-R92 WeakPolarHBondContact O-CB 2.84Å; E88-R92 WeakPolarHBondContact O-CG 3.46Å; E88-R92 PolarHBondContact O-N 3.35Å; E88-R92 IonicContact OE1-CZ 2.88Å; E88-R92 IonicContact OE1-NE 3.86Å; E88-R92 PolarHBondContact OE1-NE 3.42Å; E88-R92 IonicContact OE1-NH2 2.65Å; E88-R92 PolarHBondContact OE1-NH2 3.02Å; E88-Y148 HydrophobicContact CB-CE2 4.23Å; E88-Y148 HydrophobicContact CG-CD2 4.44Å; E88-Y148 HydrophobicContact CG-CE2 3.96Å
89R91.8Very high91.6Very high128 Ų12860.1 Ų60.148%0.48329%0.288SS..Hα-helixtrans-65.1-44.9177.2-77.3-173.7-53.9-93.43.7111.5D85 Q86 D87 L91 R92 D93D85-R89 VanDerWaalsContact O-CG 3.26Å; D85-R89 WeakPolarHBondContact O-CG 3.46Å; D85-R89 PolarHBondContact O-N 2.85Å; D85-R89 PolarHBondContact O-NH1 2.96Å; Q86-R89 VanDerWaalsContact CA-NH2 3.32Å; Q86-R89 WeakPolarHBondContact O-CA 3.28Å; Q86-R89 WeakPolarHBondContact O-CB 3.26Å; Q86-R89 PolarHBondContact O-N 3.15Å; D87-R89 VanDerWaalsContact C-N 3.33Å; D87-R89 PolarHBondContact O-N 3.42Å; R89-L91 VanDerWaalsContact C-N 3.32Å; R89-L91 PolarHBondContact O-N 2.79Å; R89-R92 WeakPolarHBondContact O-CB 3.44Å; R89-R92 PolarHBondContact O-N 3.36Å; R89-D93 PolarHBondContact O-N 3.07Å
90D90.1Very high91.2Very high85 Ų8566.7 Ų66.746%0.45532%0.317SS..Hα-helixtrans-64.2-40.2-179.9-68.7-17.6000110.2Q86 D87 D93 A94Q86-D90 PolarHBondContact O-N 3.04Å; D87-D90 PolarHBondContact O-N 3.43Å; D90-D93 PolarHBondContact O-N 2.97Å; D90-A94 WeakPolarHBondContact O-CB 3.44Å; D90-A94 PolarHBondContact O-N 3.1Å
91L90.5Very high90.9Very high21 Ų2170.2 Ų70.211%0.1134%0.338CS..Hα-helixtrans-64.1-41.2171.8-71.1177.2000112.8D87 E88 R89 A94 F95 F147 Y148 M151 T152D87-L91 WeakPolarHBondContact O-CB 3.44Å; D87-L91 VanDerWaalsContact O-CG 3.27Å; D87-L91 WeakPolarHBondContact O-CG 3.49Å; D87-L91 PolarHBondContact O-N 3.39Å; E88-L91 PolarHBondContact O-N 2.88Å; R89-L91 VanDerWaalsContact C-N 3.32Å; R89-L91 PolarHBondContact O-N 2.79Å; L91-A94 PolarHBondContact O-N 3.47Å; L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 3.37Å; L91-F147 HydrophobicContact CB-CE1 4.43Å; L91-F147 HydrophobicContact CD2-CE1 4.05Å; L91-Y148 HydrophobicContact CD1-CD2 3.82Å; L91-Y148 HydrophobicContact CD1-CE2 4.03Å; L91-M151 HydrophobicContact CD1-CB 4Å; L91-M151 HydrophobicContact CD2-CB 3.54Å; L91-M151 HydrophobicContact CD2-CE 3.84Å; L91-M151 HydrophobicContact CD2-CG 3.76Å; L91-M151 HydrophobicContact CG-CB 4.44Å; L91-T152 HydrophobicContact CD1-CG2 3.86Å
92R91.6Very high90.6Very high106 Ų10678.4 Ų78.440%0.437%0.373SS..Hα-helixtrans-63.7-41.1175-79-177.8-174.6-84.50.2112.2E88 R89 F95 R96 F144E88-R92 WeakPolarHBondContact O-CB 2.84Å; E88-R92 WeakPolarHBondContact O-CG 3.46Å; E88-R92 PolarHBondContact O-N 3.35Å; E88-R92 IonicContact OE1-CZ 2.88Å; E88-R92 IonicContact OE1-NE 3.86Å; E88-R92 PolarHBondContact OE1-NE 3.42Å; E88-R92 IonicContact OE1-NH2 2.65Å; E88-R92 PolarHBondContact OE1-NH2 3.02Å; R89-R92 WeakPolarHBondContact O-CB 3.44Å; R89-R92 PolarHBondContact O-N 3.36Å; R92-F95 PolarHBondContact O-N 2.91Å; R92-R96 VanDerWaalsContact O-CG 3.26Å; R92-R96 WeakPolarHBondContact O-CG 3.26Å; R92-R96 PolarHBondContact O-N 3.44Å; R92-F144 HydrophobicContact CB-CE2 4.19Å; R92-F144 HydrophobicContact CB-CZ 4.4Å; R92-F144 HydrophobicContact CG-CD2 4.38Å; R92-F144 HydrophobicContact CG-CE1 4.09Å; R92-F144 HydrophobicContact CG-CE2 3.46Å; R92-F144 VanDerWaalsContact CG-CE2 3.46Å; R92-F144 HydrophobicContact CG-CZ 3.28Å
93D90.7Very high90.3Very high82 Ų8285.2 Ų85.244%0.43940%0.397SS..Hα-helixtrans-71.3-38178.5-77.6-24.1000111.1R89 D90 R96 V97R89-D93 PolarHBondContact O-N 3.07Å; D90-D93 PolarHBondContact O-N 2.97Å; D93-R96 PolarHBondContact O-N 3.32Å; D93-R96 IonicContact OD1-NH1 3.37Å; D93-R96 PolarHBondContact OD1-NH1 2.83Å; D93-R96 VanDerWaalsContact OD1-NH1 3.16Å; D93-V97 WeakPolarHBondContact O-CG2 3.41Å; D93-V97 PolarHBondContact O-N 3.29Å; D93-V97 VanDerWaalsContact O-N 3.13Å
94A88.3Confident90.2Very high41 Ų4184.1 Ų84.134%0.33940%0.403SS..Hα-helixtrans-56.8-54168.500000110.6D90 L91 R96 V97 L98D90-A94 WeakPolarHBondContact O-CB 3.44Å; D90-A94 PolarHBondContact O-N 3.1Å; L91-A94 PolarHBondContact O-N 3.47Å; A94-R96 VanDerWaalsContact C-N 3.28Å; A94-R96 PolarHBondContact O-N 3.48Å; A94-V97 WeakPolarHBondContact O-CB 3.49Å; A94-V97 PolarHBondContact O-N 3.28Å; A94-L98 VanDerWaalsContact O-CG 3.29Å; A94-L98 WeakPolarHBondContact O-CG 3.33Å; A94-L98 PolarHBondContact O-N 2.92Å
95F90.5Very high90.3Very high13 Ų1384 Ų846%0.05740%0.403CS..Hα-helixtrans-54-43.3178.2-173-88.1000112.6L91 R92 V97 L98 D99 G104 I106 F144 F147L91-F95 WeakPolarHBondContact O-CB 3.41Å; L91-F95 PolarHBondContact O-N 3.37Å; R92-F95 PolarHBondContact O-N 2.91Å; F95-V97 VanDerWaalsContact C-N 3.29Å; F95-V97 PolarHBondContact O-N 3.29Å; F95-L98 PolarHBondContact O-N 3.06Å; F95-L98 VanDerWaalsContact O-N 3.09Å; F95-D99 HydrophobicContact CD1-CB 4.38Å; F95-D99 HydrophobicContact CE1-CB 4.08Å; F95-D99 PolarHBondContact O-N 2.97Å; F95-G104 WeakPolarHBondContact CZ-O 3.42Å; F95-I106 HydrophobicContact CD2-CG2 3.89Å; F95-I106 HydrophobicContact CE1-CG2 4.45Å; F95-I106 HydrophobicContact CE2-CD1 4.46Å; F95-I106 HydrophobicContact CE2-CG1 4.3Å; F95-I106 HydrophobicContact CE2-CG2 3.65Å; F95-I106 HydrophobicContact CG-CG2 4.41Å; F95-I106 HydrophobicContact CZ-CG2 3.95Å; F95-F144 HydrophobicContact CB-CD2 3.9Å; F95-F144 HydrophobicContact CB-CE2 4.28Å; F95-F144 HydrophobicContact CD1-CD2 4.22Å; F95-F144 HydrophobicContact CD2-CB 4.37Å; F95-F144 AromaticContact CD2-CD2 3.97Å; F95-F144 HydrophobicContact CD2-CD2 3.97Å; F95-F144 HydrophobicContact CE1-CB 4.31Å; F95-F144 HydrophobicContact CE2-CB 4.13Å; F95-F144 AromaticContact CG-CD2 3.76Å; F95-F144 HydrophobicContact CG-CD2 3.76Å; F95-F144 HydrophobicContact CZ-CB 4.1Å; F95-F147 HydrophobicContact CB-CD1 4.15Å; F95-F147 HydrophobicContact CB-CE1 4.23Å; F95-F147 HydrophobicContact CD2-CB 3.83Å; F95-F147 AromaticContact CD2-CD1 3.82Å; F95-F147 HydrophobicContact CD2-CD1 3.82Å; F95-F147 AromaticContact CD2-CG 3.82Å; F95-F147 HydrophobicContact CD2-CG 3.82Å; F95-F147 HydrophobicContact CE2-CB 4.06Å; F95-F147 HydrophobicContact CE2-CG 4.49Å; F95-F147 HydrophobicContact CG-CD1 4.48Å
96R90.4Very high90.3Very high174 Ų17482.2 Ų82.266%0.65739%0.393SS*.Hα-helixtrans-63.6-31177.4-77.2170.1173.3173.3-1.2114.1R92 D93 A94 L98R92-R96 VanDerWaalsContact O-CG 3.26Å; R92-R96 WeakPolarHBondContact O-CG 3.26Å; R92-R96 PolarHBondContact O-N 3.44Å; D93-R96 PolarHBondContact O-N 3.32Å; D93-R96 IonicContact OD1-NH1 3.37Å; D93-R96 PolarHBondContact OD1-NH1 2.83Å; D93-R96 VanDerWaalsContact OD1-NH1 3.16Å; A94-R96 VanDerWaalsContact C-N 3.28Å; A94-R96 PolarHBondContact O-N 3.48Å; R96-L98 VanDerWaalsContact C-N 3.3Å
97V89.2Confident90.3Very high112 Ų11281.3 Ų81.368%0.67939%0.391SS*.Hα-helixtrans-71.4-32.3175.4170.90000110.5D93 A94 F95D93-V97 WeakPolarHBondContact O-CG2 3.41Å; D93-V97 PolarHBondContact O-N 3.29Å; D93-V97 VanDerWaalsContact O-N 3.13Å; A94-V97 WeakPolarHBondContact O-CB 3.49Å; A94-V97 PolarHBondContact O-N 3.28Å; F95-V97 VanDerWaalsContact C-N 3.29Å; F95-V97 PolarHBondContact O-N 3.29Å
98L88.4Confident90.3Very high27 Ų2779.1 Ų79.114%0.14138%0.38CS..Hα-helixtrans-84.7-36.3-177.2-57.4170.6000113.3A94 F95 R96 K100 I106 I114 F147A94-L98 VanDerWaalsContact O-CG 3.29Å; A94-L98 WeakPolarHBondContact O-CG 3.33Å; A94-L98 PolarHBondContact O-N 2.92Å; F95-L98 PolarHBondContact O-N 3.06Å; F95-L98 VanDerWaalsContact O-N 3.09Å; R96-L98 VanDerWaalsContact C-N 3.3Å; L98-K100 PolarHBondContact O-N 2.84Å; L98-I106 HydrophobicContact CB-CB 4.36Å; L98-I106 HydrophobicContact CB-CG2 3.6Å; L98-I106 HydrophobicContact CD1-CD1 4.3Å; L98-I114 HydrophobicContact CD1-CD1 3.12Å; L98-I114 HydrophobicContact CD1-CG1 4.45Å; L98-I114 HydrophobicContact CD2-CD1 3.09Å; L98-I114 HydrophobicContact CD2-CG1 3.73Å; L98-I114 HydrophobicContact CG-CD1 3.56Å; L98-F147 HydrophobicContact CD1-CE2 4.12Å; L98-F147 HydrophobicContact CD1-CZ 4.21Å
99D91.5Very high90.2Very high16 Ų1683.1 Ų83.19%0.08640%0.399CS..  trans-7468.4172.9-179.511.8000109.9F95 N101 K102 R103 G104 I106F95-D99 HydrophobicContact CD1-CB 4.38Å; F95-D99 HydrophobicContact CE1-CB 4.08Å; F95-D99 PolarHBondContact O-N 2.97Å; D99-N101 PolarHBondContact O-N 3.21Å; D99-N101 VanDerWaalsContact O-N 3.08Å; D99-K102 VanDerWaalsContact CG-CA 3.48Å; D99-K102 PolarHBondContact O-N 3.19Å; D99-K102 VanDerWaalsContact OD1-CA 3.28Å; D99-K102 WeakPolarHBondContact OD1-CA 3.33Å; D99-K102 PolarHBondContact OD1-N 2.72Å; D99-K102 VanDerWaalsContact OD2-C 3.26Å; D99-K102 WeakPolarHBondContact OD2-CA 3.4Å; D99-R103 VanDerWaalsContact CG-N 3.34Å; D99-R103 PolarHBondContact OD1-N 3.11Å; D99-R103 PolarHBondContact OD2-N 2.73Å; D99-G104 WeakPolarHBondContact OD2-CA 3.41Å; D99-G104 PolarHBondContact OD2-N 2.92Å; D99-I106 HydrophobicContact CB-CG2 4.1Å
100K86.4Confident90Very high138 Ų13879 Ų7960%0.639%0.387SS*.THydrogen-bonded Turntrans-54.6-30.8-178.8-67.6168.4-170154.40111.8L98 D110L98-K100 PolarHBondContact O-N 2.84Å; K100-D110 IonicContact NZ-OD1 3.16Å; K100-D110 PolarHBondContact NZ-OD1 3.48Å; K100-D110 IonicContact NZ-OD2 2.7Å; K100-D110 PolarHBondContact NZ-OD2 3.39Å
101N88.9Confident89.8Confident120 Ų12075 Ų7564%0.64237%0.365SS*.THydrogen-bonded Turntrans-94.4-5.1-176-64.5-47.1000113.5D99 R103D99-N101 PolarHBondContact O-N 3.21Å; D99-N101 VanDerWaalsContact O-N 3.08Å; N101-R103 VanDerWaalsContact C-N 3.31Å; N101-R103 HydrophobicContact CB-CG 3.97Å; N101-R103 PolarHBondContact O-N 2.83Å
102K88.8Confident89.7Confident187 Ų18777.4 Ų77.481%0.81337%0.373SS*.  trans55.641.9-178.8-57.7-176.6179.7-176.70113.2D99D99-K102 VanDerWaalsContact CG-CA 3.48Å; D99-K102 PolarHBondContact O-N 3.19Å; D99-K102 VanDerWaalsContact OD1-CA 3.28Å; D99-K102 WeakPolarHBondContact OD1-CA 3.33Å; D99-K102 PolarHBondContact OD1-N 2.72Å; D99-K102 VanDerWaalsContact OD2-C 3.26Å; D99-K102 WeakPolarHBondContact OD2-CA 3.4Å
103R90.2Very high89.4Confident162 Ų16282 Ų8261%0.61139%0.39SS*.SBendtrans-90.4-14.9-179.4-69.8-176.4-179.4-171.42.5113.2D99 N101 E105D99-R103 VanDerWaalsContact CG-N 3.34Å; D99-R103 PolarHBondContact OD1-N 3.11Å; D99-R103 PolarHBondContact OD2-N 2.73Å; N101-R103 VanDerWaalsContact C-N 3.31Å; N101-R103 HydrophobicContact CB-CG 3.97Å; N101-R103 PolarHBondContact O-N 2.83Å; R103-E105 HydrophobicContact CB-CG 3.86Å
104G91.7Very high89Confident41 Ų4179.9 Ų79.942%0.42338%0.379SS..SBendtrans87.412.7-170.100000113.2F95 D99F95-G104 WeakPolarHBondContact CZ-O 3.42Å; D99-G104 WeakPolarHBondContact OD2-CA 3.41Å; D99-G104 PolarHBondContact OD2-N 2.92Å
105E93.4Very high88.8Confident61 Ų6178.4 Ų78.429%0.28537%0.365SS..EExtended strand (participates in β ladder)trans-144.3145.6-177.173.3-159.170.900109.1R103 F141 V142R103-E105 HydrophobicContact CB-CG 3.86Å; E105-F141 HydrophobicContact CB-CB 4.01Å; E105-F141 HydrophobicContact CG-CB 4.01Å; E105-F141 HydrophobicContact CG-CD1 3.91Å; E105-F141 HydrophobicContact CG-CG 4.12Å; E105-F141 VanDerWaalsContact OE2-CD1 3.26Å; E105-F141 WeakPolarHBondContact OE2-CD1 3.46Å; E105-F141 WeakPolarHBondContact OE2-CD2 3.41Å; E105-F141 WeakPolarHBondContact OE2-CG 3.34Å; E105-V142 CarbonylContact C-O 3.53Å; E105-V142 WeakPolarHBondContact CA-O 3.35Å
106I91.8Very high88.4Confident1 Ų181.8 Ų81.81%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-106.6143.6174.164.4179.6000109.4F95 L98 D99 L111 F141 V142 F147F95-I106 HydrophobicContact CD2-CG2 3.89Å; F95-I106 HydrophobicContact CE1-CG2 4.45Å; F95-I106 HydrophobicContact CE2-CD1 4.46Å; F95-I106 HydrophobicContact CE2-CG1 4.3Å; F95-I106 HydrophobicContact CE2-CG2 3.65Å; F95-I106 HydrophobicContact CG-CG2 4.41Å; F95-I106 HydrophobicContact CZ-CG2 3.95Å; L98-I106 HydrophobicContact CB-CB 4.36Å; L98-I106 HydrophobicContact CB-CG2 3.6Å; L98-I106 HydrophobicContact CD1-CD1 4.3Å; D99-I106 HydrophobicContact CB-CG2 4.1Å; I106-L111 HydrophobicContact CD1-CB 3.99Å; I106-L111 HydrophobicContact CD1-CD1 3.96Å; I106-L111 HydrophobicContact CD1-CD2 4.39Å; I106-L111 HydrophobicContact CD1-CG 4.34Å; I106-F141 CarbonylContact O-C 3.43Å; I106-F141 VanDerWaalsContact O-CA 3.3Å; I106-F141 WeakPolarHBondContact O-CA 3.34Å; I106-V142 HydrophobicContact CD1-CB 4.2Å; I106-V142 HydrophobicContact CD1-CG1 4.24Å; I106-V142 HydrophobicContact CG1-CB 3.68Å; I106-V142 HydrophobicContact CG1-CG1 4.18Å; I106-V142 WeakPolarHBondContact CG1-O 3.33Å; I106-V142 PolarHBondContact N-O 3.01Å; I106-V142 PolarHBondContact O-N 3.11Å; I106-F147 HydrophobicContact CD1-CD2 3.66Å; I106-F147 HydrophobicContact CD1-CE2 4.2Å; I106-F147 HydrophobicContact CD1-CG 4.36Å
107D91.4Very high87.9Confident58 Ų5876.6 Ų76.631%0.3138%0.38SS..EExtended strand (participates in β ladder)trans-69.1136.3174.4-168.3-64.5000109.6E109 D110 L111D107-E109 PolarHBondContact O-N 3.47Å; D107-E109 VanDerWaalsContact OD1-CB 3.3Å; D107-E109 WeakPolarHBondContact OD1-CB 3.45Å; D107-E109 PolarHBondContact OD1-N 3.18Å; D107-D110 HydrophobicContact CB-CB 4.31Å; D107-D110 WeakPolarHBondContact O-CA 3.4Å; D107-D110 WeakPolarHBondContact O-CB 3.49Å; D107-D110 PolarHBondContact O-N 2.95Å; D107-L111 PolarHBondContact O-N 3.31Å
108V90.4Very high87.2Confident27 Ų2777 Ų7716%0.16438%0.378CS..Hα-helixtrans-58.3-28.3178.1-70.10000112.9L111 R112 I131 D135 G140 V142V108-L111 PolarHBondContact O-N 3.5Å; V108-R112 WeakPolarHBondContact O-CB 3.3Å; V108-R112 PolarHBondContact O-N 2.81Å; V108-I131 HydrophobicContact CB-CG2 3.97Å; V108-I131 HydrophobicContact CG1-CG2 3.89Å; V108-D135 HydrophobicContact CG1-CB 4.25Å; V108-G140 WeakPolarHBondContact CG1-O 3.44Å; V108-G140 WeakPolarHBondContact CG2-O 3.29Å; V108-G140 PolarHBondContact N-O 3.03Å; V108-V142 HydrophobicContact CG1-CG2 3.95Å
109E87.9Confident86.2Confident145 Ų14576.6 Ų76.668%0.67838%0.38SS*.Hα-helixtrans-69.4-36.2173.4-62.4-157.9101.600112D107 W113D107-E109 PolarHBondContact O-N 3.47Å; D107-E109 VanDerWaalsContact OD1-CB 3.3Å; D107-E109 WeakPolarHBondContact OD1-CB 3.45Å; D107-E109 PolarHBondContact OD1-N 3.18Å; E109-W113 PolarHBondContact O-N 3.1Å; E109-W113 VanDerWaalsContact O-N 3.12Å
110D87.4Confident84.9Confident43 Ų4383.7 Ų83.723%0.2342%0.418CS..Hα-helixtrans-68.9-41.2174.1-83.1-31000110.7K100 D107 W113 I114K100-D110 IonicContact NZ-OD1 3.16Å; K100-D110 PolarHBondContact NZ-OD1 3.48Å; K100-D110 IonicContact NZ-OD2 2.7Å; K100-D110 PolarHBondContact NZ-OD2 3.39Å; D107-D110 HydrophobicContact CB-CB 4.31Å; D107-D110 WeakPolarHBondContact O-CA 3.4Å; D107-D110 WeakPolarHBondContact O-CB 3.49Å; D107-D110 PolarHBondContact O-N 2.95Å; D110-W113 PolarHBondContact O-N 2.97Å; D110-I114 VanDerWaalsContact O-CD1 3.31Å; D110-I114 WeakPolarHBondContact O-CD1 3.37Å; D110-I114 VanDerWaalsContact O-CG1 3.3Å; D110-I114 WeakPolarHBondContact O-CG1 3.34Å; D110-I114 PolarHBondContact O-N 3.39Å
111L87.1Confident84.6Confident1 Ų184.4 Ų84.41%0.00543%0.429CS..Hα-helixtrans-60.6-46.8173.5-178.858.7000111.7I106 D107 V108 W113 I114 L115 V142 F147 L150I106-L111 HydrophobicContact CD1-CB 3.99Å; I106-L111 HydrophobicContact CD1-CD1 3.96Å; I106-L111 HydrophobicContact CD1-CD2 4.39Å; I106-L111 HydrophobicContact CD1-CG 4.34Å; D107-L111 PolarHBondContact O-N 3.31Å; V108-L111 PolarHBondContact O-N 3.5Å; L111-W113 VanDerWaalsContact C-N 3.29Å; L111-W113 PolarHBondContact O-N 2.65Å; L111-I114 PolarHBondContact O-N 3.48Å; L111-I114 VanDerWaalsContact O-N 3.11Å; L111-L115 HydrophobicContact CD1-CD1 4.42Å; L111-L115 HydrophobicContact CD1-CG 4.3Å; L111-L115 HydrophobicContact CG-CD1 4.11Å; L111-L115 HydrophobicContact CG-CG 4.43Å; L111-L115 WeakPolarHBondContact O-CG 3.14Å; L111-L115 PolarHBondContact O-N 3.4Å; L111-V142 HydrophobicContact CD2-CB 4.37Å; L111-V142 HydrophobicContact CD2-CG1 4.34Å; L111-V142 HydrophobicContact CD2-CG2 3.85Å; L111-F147 HydrophobicContact CD1-CD2 4.01Å; L111-F147 HydrophobicContact CD1-CE2 3.93Å; L111-L150 HydrophobicContact CD1-CD2 4.05Å; L111-L150 HydrophobicContact CD2-CD2 3.78Å; L111-L150 HydrophobicContact CG-CD2 4.34Å
112R88.1Confident84.2Confident71 Ų7181.5 Ų81.527%0.26841%0.413SS..Hα-helixtrans-53.4-45.8175.7-179.9-175.6-67-87.20.9112V108 I114 L115 K116 I127 D128 I131V108-R112 WeakPolarHBondContact O-CB 3.3Å; V108-R112 PolarHBondContact O-N 2.81Å; R112-I114 PolarHBondContact O-N 2.91Å; R112-L115 PolarHBondContact O-N 2.91Å; R112-K116 WeakPolarHBondContact O-CG 3.41Å; R112-K116 PolarHBondContact O-N 2.92Å; R112-I127 HydrophobicContact CB-CG2 4.38Å; R112-I127 HydrophobicContact CG-CG2 3.89Å; R112-D128 IonicContact CZ-OD1 2.62Å; R112-D128 IonicContact NH1-OD1 2.64Å; R112-D128 PolarHBondContact NH1-OD1 3.23Å; R112-D128 IonicContact NH2-OD1 2.93Å; R112-D128 PolarHBondContact NH2-OD1 2.88Å; R112-I131 HydrophobicContact CB-CD1 3.73Å; R112-I131 HydrophobicContact CG-CD1 4.27Å
113W85.3Confident84.2Confident202 Ų20276 Ų7677%0.76540%0.395SS*.Hα-helixtrans-59.9-37-179179.6-95.3000112.2E109 D110 L111 G117E109-W113 PolarHBondContact O-N 3.1Å; E109-W113 VanDerWaalsContact O-N 3.12Å; D110-W113 PolarHBondContact O-N 2.97Å; L111-W113 VanDerWaalsContact C-N 3.29Å; L111-W113 PolarHBondContact O-N 2.65Å; W113-G117 PolarHBondContact O-N 3.45Å
114I82.1Confident84.1Confident38 Ų3874.2 Ų74.220%0.19539%0.393CS..Hα-helixtrans-75.7-43.9179.5-54.7152.8000111.1L98 D110 L111 R112 K116 G117 L118L98-I114 HydrophobicContact CD1-CD1 3.12Å; L98-I114 HydrophobicContact CD1-CG1 4.45Å; L98-I114 HydrophobicContact CD2-CD1 3.09Å; L98-I114 HydrophobicContact CD2-CG1 3.73Å; L98-I114 HydrophobicContact CG-CD1 3.56Å; D110-I114 VanDerWaalsContact O-CD1 3.31Å; D110-I114 WeakPolarHBondContact O-CD1 3.37Å; D110-I114 VanDerWaalsContact O-CG1 3.3Å; D110-I114 WeakPolarHBondContact O-CG1 3.34Å; D110-I114 PolarHBondContact O-N 3.39Å; L111-I114 PolarHBondContact O-N 3.48Å; L111-I114 VanDerWaalsContact O-N 3.11Å; R112-I114 PolarHBondContact O-N 2.91Å; I114-K116 PolarHBondContact O-N 3.48Å; I114-G117 CarbonylContact O-C 3.47Å; I114-G117 WeakPolarHBondContact O-CA 3.34Å; I114-G117 PolarHBondContact O-N 3.01Å; I114-L118 HydrophobicContact CG2-CD1 3.68Å; I114-L118 HydrophobicContact CG2-CG 3.95Å; I114-L118 PolarHBondContact O-N 3.42Å
115L83.6Confident84Confident9 Ų979.5 Ų79.55%0.04741%0.407CS..Hα-helixtrans-58.1-41.1177.9-69.1174.6000110.5L111 R112 G117 L118 G119 I127 M130 I131 L150L111-L115 HydrophobicContact CD1-CD1 4.42Å; L111-L115 HydrophobicContact CD1-CG 4.3Å; L111-L115 HydrophobicContact CG-CD1 4.11Å; L111-L115 HydrophobicContact CG-CG 4.43Å; L111-L115 WeakPolarHBondContact O-CG 3.14Å; L111-L115 PolarHBondContact O-N 3.4Å; R112-L115 PolarHBondContact O-N 2.91Å; L115-G117 PolarHBondContact O-N 2.79Å; L115-L118 PolarHBondContact O-N 3.38Å; L115-G119 PolarHBondContact O-N 2.92Å; L115-I127 HydrophobicContact CB-CG1 4.21Å; L115-I127 HydrophobicContact CB-CG2 4.26Å; L115-I127 HydrophobicContact CD1-CG2 4.06Å; L115-M130 HydrophobicContact CD1-CB 4.47Å; L115-M130 HydrophobicContact CD1-CE 4.36Å; L115-M130 HydrophobicContact CD2-CE 3.82Å; L115-I131 HydrophobicContact CD1-CG1 4.36Å; L115-L150 HydrophobicContact CD1-CD2 4.47Å
116K83.5Confident83.8Confident85 Ų8580.9 Ų80.937%0.3741%0.414SS..Hα-helixtrans-61.5-28.3170.9-73.3-171.9171.1-170.30114R112 I114 E124 I127R112-K116 WeakPolarHBondContact O-CG 3.41Å; R112-K116 PolarHBondContact O-N 2.92Å; I114-K116 PolarHBondContact O-N 3.48Å; K116-E124 IonicContact NZ-OE1 2.61Å; K116-E124 PolarHBondContact NZ-OE1 3.12Å; K116-I127 HydrophobicContact CB-CD1 4.44Å; K116-I127 HydrophobicContact CD-CD1 4.48Å; K116-I127 HydrophobicContact CG-CD1 3.43Å; K116-I127 VanDerWaalsContact CG-CD1 3.43Å
117G78.7Confident83.6Confident65 Ų6580.9 Ų80.967%0.6741%0.414SS*.Hα-helixtrans-89.8-23.8-179.900000114.7W113 I114 L115W113-G117 PolarHBondContact O-N 3.45Å; I114-G117 CarbonylContact O-C 3.47Å; I114-G117 WeakPolarHBondContact O-CA 3.34Å; I114-G117 PolarHBondContact O-N 3.01Å; L115-G117 PolarHBondContact O-N 2.79Å
118L73.8Confident83.4Confident120 Ų12081.1 Ų81.163%0.62842%0.415SS*.Hα-helixtrans-89.5-35.7178.7-70.6177.8000112.4I114 L115 M151I114-L118 HydrophobicContact CG2-CD1 3.68Å; I114-L118 HydrophobicContact CG2-CG 3.95Å; I114-L118 PolarHBondContact O-N 3.42Å; L115-L118 PolarHBondContact O-N 3.38Å; L118-M151 HydrophobicContact CD1-CE 4.37Å
119G67.3Low83.4Confident19 Ų1983.6 Ų83.620%0.19643%0.427CS..  trans-115.391.8-177.600000111.5L115 D121 L122L115-G119 PolarHBondContact O-N 2.92Å; G119-D121 PolarHBondContact O-N 3.26Å; G119-L122 PolarHBondContact O-N 3.08Å; G119-L122 VanDerWaalsContact O-N 3.1Å
120D66.1Low83.3Confident165 Ų16579.3 Ų79.388%0.88241%0.408SS*.THydrogen-bonded Turntrans-55.6-21170.2-93.7-57.5000112.3
121D78.2Confident83.4Confident152 Ų15277.9 Ų77.981%0.81340%0.4SS*.THydrogen-bonded Turntrans-97.3-5-179.2-67.7-82.9000114.7G119G119-D121 PolarHBondContact O-N 3.26Å
122L82.3Confident83.4Confident60 Ų6085.3 Ų85.331%0.31443%0.428SS..  trans-82.1121.2179.6-65.5176.2000111.2G119 E126 I127 M130G119-L122 PolarHBondContact O-N 3.08Å; G119-L122 VanDerWaalsContact O-N 3.1Å; L122-E126 HydrophobicContact CD2-CB 4.41Å; L122-I127 HydrophobicContact CB-CD1 4.14Å; L122-I127 HydrophobicContact CB-CG1 3.94Å; L122-I127 HydrophobicContact CD1-CG1 4.41Å; L122-M130 HydrophobicContact CD1-SD 3.95Å; L122-M130 HydrophobicContact CD2-SD 4.25Å
123T88.7Confident83.3Confident70 Ų7088 Ų8843%0.42945%0.448SS..  trans-70.2159.7172.261.60000111.6E125 E126 I127T123-E125 PolarHBondContact O-N 3.06Å; T123-E126 WeakPolarHBondContact CB-OE2 3.41Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.37Å; T123-E126 PolarHBondContact N-OE2 2.69Å; T123-E126 PolarHBondContact O-N 3.26Å; T123-E126 WeakPolarHBondContact OG1-CB 3.35Å; T123-E126 VanDerWaalsContact OG1-CG 3.27Å; T123-E126 WeakPolarHBondContact OG1-CG 3.44Å; T123-E126 PolarHBondContact OG1-N 3.4Å; T123-E126 VanDerWaalsContact OG1-N 3.17Å; T123-E126 PolarHBondContact OG1-OE2 3.44Å; T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T123-I127 PolarHBondContact O-N 3.17Å
124E87.5Confident83.4Confident125 Ų12578.9 Ų78.958%0.58441%0.414SS*.Hα-helixtrans-59.9-34.4175-62.7-163.4138.700112.1K116 I127 D128K116-E124 IonicContact NZ-OE1 2.61Å; K116-E124 PolarHBondContact NZ-OE1 3.12Å; E124-I127 PolarHBondContact O-N 2.85Å; E124-D128 WeakPolarHBondContact O-CB 3.23Å; E124-D128 VanDerWaalsContact O-CG 3.26Å; E124-D128 PolarHBondContact O-N 3.33Å
125E90.1Very high83.7Confident152 Ų15278.1 Ų78.171%0.7141%0.411SS*.Hα-helixtrans-66.2-44.1175.7-65.4-178.196.500111.4T123 I127 D128 D129T123-E125 PolarHBondContact O-N 3.06Å; E125-I127 VanDerWaalsContact C-N 3.33Å; E125-I127 PolarHBondContact O-N 3.45Å; E125-D128 WeakPolarHBondContact O-CB 3.31Å; E125-D128 PolarHBondContact O-N 2.91Å; E125-D129 PolarHBondContact O-N 3.34Å
126E87.9Confident83.5Confident91 Ų9183.1 Ų83.143%0.42544%0.442SS..Hα-helixtrans-62.7-40.2175.3-75.5165.3128.900112L122 T123 D128 D129 M130L122-E126 HydrophobicContact CD2-CB 4.41Å; T123-E126 WeakPolarHBondContact CB-OE2 3.41Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.37Å; T123-E126 PolarHBondContact N-OE2 2.69Å; T123-E126 PolarHBondContact O-N 3.26Å; T123-E126 WeakPolarHBondContact OG1-CB 3.35Å; T123-E126 VanDerWaalsContact OG1-CG 3.27Å; T123-E126 WeakPolarHBondContact OG1-CG 3.44Å; T123-E126 PolarHBondContact OG1-N 3.4Å; T123-E126 VanDerWaalsContact OG1-N 3.17Å; T123-E126 PolarHBondContact OG1-OE2 3.44Å; E126-D128 VanDerWaalsContact C-N 3.33Å; E126-D129 PolarHBondContact O-N 2.93Å; E126-M130 WeakPolarHBondContact O-CB 3.43Å; E126-M130 VanDerWaalsContact O-CG 3.23Å; E126-M130 WeakPolarHBondContact O-CG 3.42Å; E126-M130 PolarHBondContact O-N 2.97Å
127I87.5Confident83.6Confident1 Ų184.6 Ų84.61%0.00545%0.454CS..Hα-helixtrans-65.6-39.1175.5-65.4160.5000110.9R112 L115 K116 L122 T123 E124 E125 M130 I131R112-I127 HydrophobicContact CB-CG2 4.38Å; R112-I127 HydrophobicContact CG-CG2 3.89Å; L115-I127 HydrophobicContact CB-CG1 4.21Å; L115-I127 HydrophobicContact CB-CG2 4.26Å; L115-I127 HydrophobicContact CD1-CG2 4.06Å; K116-I127 HydrophobicContact CB-CD1 4.44Å; K116-I127 HydrophobicContact CD-CD1 4.48Å; K116-I127 HydrophobicContact CG-CD1 3.43Å; K116-I127 VanDerWaalsContact CG-CD1 3.43Å; L122-I127 HydrophobicContact CB-CD1 4.14Å; L122-I127 HydrophobicContact CB-CG1 3.94Å; L122-I127 HydrophobicContact CD1-CG1 4.41Å; T123-I127 WeakPolarHBondContact O-CG1 3.43Å; T123-I127 PolarHBondContact O-N 3.17Å; E124-I127 PolarHBondContact O-N 2.85Å; E125-I127 VanDerWaalsContact C-N 3.33Å; E125-I127 PolarHBondContact O-N 3.45Å; I127-M130 PolarHBondContact O-N 3.37Å; I127-I131 HydrophobicContact CG2-CD1 3.71Å; I127-I131 HydrophobicContact CG2-CG1 4.32Å; I127-I131 WeakPolarHBondContact O-CB 3.4Å; I127-I131 VanDerWaalsContact O-CG1 3.23Å; I127-I131 WeakPolarHBondContact O-CG1 3.27Å; I127-I131 PolarHBondContact O-N 3.36Å
128D88.4Confident84Confident63 Ų6384.2 Ų84.234%0.33745%0.45SS..Hα-helixtrans-62-43.2175.6-78-10000112R112 E124 E125 E126 R132R112-D128 IonicContact CZ-OD1 2.62Å; R112-D128 IonicContact NH1-OD1 2.64Å; R112-D128 PolarHBondContact NH1-OD1 3.23Å; R112-D128 IonicContact NH2-OD1 2.93Å; R112-D128 PolarHBondContact NH2-OD1 2.88Å; E124-D128 WeakPolarHBondContact O-CB 3.23Å; E124-D128 VanDerWaalsContact O-CG 3.26Å; E124-D128 PolarHBondContact O-N 3.33Å; E125-D128 WeakPolarHBondContact O-CB 3.31Å; E125-D128 PolarHBondContact O-N 2.91Å; E126-D128 VanDerWaalsContact C-N 3.33Å; D128-R132 WeakPolarHBondContact O-CB 3.4Å; D128-R132 PolarHBondContact O-N 2.98Å
129D89.4Confident84.7Confident78 Ų7881 Ų8142%0.41744%0.438SS..Hα-helixtrans-67.9-43.1176.2-84.8-56.8000111.4E125 E126 I131 R132 D133E125-D129 PolarHBondContact O-N 3.34Å; E126-D129 PolarHBondContact O-N 2.93Å; D129-I131 VanDerWaalsContact C-N 3.34Å; D129-I131 PolarHBondContact O-N 3.35Å; D129-R132 PolarHBondContact O-N 3.37Å; D129-R132 IonicContact OD1-NH1 2.65Å; D129-R132 PolarHBondContact OD1-NH1 3.41Å; D129-D133 WeakPolarHBondContact O-CB 3.19Å; D129-D133 PolarHBondContact O-N 3Å
130M87.2Confident85.9Confident55 Ų5581.1 Ų81.127%0.27144%0.439SS..Hα-helixtrans-57.7-44.8174.1-73.2175.375.500112.1L115 L122 E126 I127 D133 T134 L150L115-M130 HydrophobicContact CD1-CB 4.47Å; L115-M130 HydrophobicContact CD1-CE 4.36Å; L115-M130 HydrophobicContact CD2-CE 3.82Å; L122-M130 HydrophobicContact CD1-SD 3.95Å; L122-M130 HydrophobicContact CD2-SD 4.25Å; E126-M130 WeakPolarHBondContact O-CB 3.43Å; E126-M130 VanDerWaalsContact O-CG 3.23Å; E126-M130 WeakPolarHBondContact O-CG 3.42Å; E126-M130 PolarHBondContact O-N 2.97Å; I127-M130 PolarHBondContact O-N 3.37Å; M130-D133 PolarHBondContact O-N 3.47Å; M130-T134 WeakPolarHBondContact O-CB 3.24Å; M130-T134 PolarHBondContact O-N 2.91Å; M130-T134 PolarHBondContact O-OG1 3.22Å; M130-L150 HydrophobicContact CB-CD1 4.27Å; M130-L150 HydrophobicContact CE-CD1 3.75Å
131I87.7Confident87.1Confident14 Ų1476.6 Ų76.67%0.07241%0.411CS..Hα-helixtrans-65.2-43.8177.9-70.5167.8000110.5V108 R112 L115 I127 D129 D133 T134 D135V108-I131 HydrophobicContact CB-CG2 3.97Å; V108-I131 HydrophobicContact CG1-CG2 3.89Å; R112-I131 HydrophobicContact CB-CD1 3.73Å; R112-I131 HydrophobicContact CG-CD1 4.27Å; L115-I131 HydrophobicContact CD1-CG1 4.36Å; I127-I131 HydrophobicContact CG2-CD1 3.71Å; I127-I131 HydrophobicContact CG2-CG1 4.32Å; I127-I131 WeakPolarHBondContact O-CB 3.4Å; I127-I131 VanDerWaalsContact O-CG1 3.23Å; I127-I131 WeakPolarHBondContact O-CG1 3.27Å; I127-I131 PolarHBondContact O-N 3.36Å; D129-I131 VanDerWaalsContact C-N 3.34Å; D129-I131 PolarHBondContact O-N 3.35Å; I131-D133 VanDerWaalsContact C-N 3.31Å; I131-D133 PolarHBondContact O-N 3.2Å; I131-T134 PolarHBondContact O-N 3.47Å; I131-T134 VanDerWaalsContact O-N 3.13Å; I131-D135 WeakPolarHBondContact O-CB 3.3Å; I131-D135 PolarHBondContact O-N 2.89Å
132R87.5Confident87.8Confident157 Ų15769.3 Ų69.359%0.59237%0.372SS*.Hα-helixtrans-63.2-38179.2-174.2-173.9-64.4138.43.7112.3D128 D129 T134D128-R132 WeakPolarHBondContact O-CB 3.4Å; D128-R132 PolarHBondContact O-N 2.98Å; D129-R132 PolarHBondContact O-N 3.37Å; D129-R132 IonicContact OD1-NH1 2.65Å; D129-R132 PolarHBondContact OD1-NH1 3.41Å; R132-T134 VanDerWaalsContact C-N 3.28Å
133D86.6Confident88.2Confident127 Ų12769.8 Ų69.868%0.67938%0.375SS*.Hα-helixtrans-73.3-22.8176.7-78.7-2.8000112.5D129 M130 I131 T136D129-D133 WeakPolarHBondContact O-CB 3.19Å; D129-D133 PolarHBondContact O-N 3Å; M130-D133 PolarHBondContact O-N 3.47Å; I131-D133 VanDerWaalsContact C-N 3.31Å; I131-D133 PolarHBondContact O-N 3.2Å; D133-T136 VanDerWaalsContact O-CG2 3.24Å; D133-T136 WeakPolarHBondContact O-CG2 3.37Å
134T86.9Confident88.3Confident10 Ų1068.4 Ų68.46%0.06136%0.363CS..Hα-helixtrans-86.6-50.4178.6-53.90000112.3M130 I131 R132 T136 V142 E146 L150M130-T134 WeakPolarHBondContact O-CB 3.24Å; M130-T134 PolarHBondContact O-N 2.91Å; M130-T134 PolarHBondContact O-OG1 3.22Å; I131-T134 PolarHBondContact O-N 3.47Å; I131-T134 VanDerWaalsContact O-N 3.13Å; R132-T134 VanDerWaalsContact C-N 3.28Å; T134-T136 PolarHBondContact O-N 2.88Å; T134-V142 HydrophobicContact CG2-CB 4.39Å; T134-V142 HydrophobicContact CG2-CG1 3.56Å; T134-V142 HydrophobicContact CG2-CG2 3.88Å; T134-E146 HydrophobicContact CG2-CB 3.85Å; T134-L150 HydrophobicContact CG2-CB 4.1Å; T134-L150 HydrophobicContact CG2-CD2 4.19Å; T134-L150 WeakPolarHBondContact OG1-CD1 3.17Å
135D88.5Confident88.4Confident23 Ų2366.6 Ų66.612%0.12336%0.357CS..  trans-79.865.8177.6-179.919.9000110V108 I131 D137 G138 S139 G140 V142V108-D135 HydrophobicContact CG1-CB 4.25Å; I131-D135 WeakPolarHBondContact O-CB 3.3Å; I131-D135 PolarHBondContact O-N 2.89Å; D135-D137 PolarHBondContact O-N 2.74Å; D135-D137 VanDerWaalsContact OD1-OD1 3.07Å; D135-G138 PolarHBondContact O-N 3.08Å; D135-G138 VanDerWaalsContact O-N 3.09Å; D135-G138 VanDerWaalsContact OD1-CA 3.31Å; D135-G138 WeakPolarHBondContact OD1-CA 3.44Å; D135-G138 PolarHBondContact OD1-N 3.41Å; D135-G138 VanDerWaalsContact OD1-N 3.07Å; D135-G138 WeakPolarHBondContact OD2-CA 3.31Å; D135-S139 PolarHBondContact OD1-N 2.87Å; D135-S139 PolarHBondContact OD1-OG 3.02Å; D135-G140 WeakPolarHBondContact OD2-CA 3.38Å; D135-G140 PolarHBondContact OD2-N 2.71Å; D135-V142 HydrophobicContact CB-CG2 4.46Å
136T80.2Confident88.4Confident113 Ų11360.5 Ų60.569%0.69333%0.329SS*.THydrogen-bonded Turntrans-67.2-21.2-171.359.70000113.5D133 T134D133-T136 VanDerWaalsContact O-CG2 3.24Å; D133-T136 WeakPolarHBondContact O-CG2 3.37Å; T134-T136 PolarHBondContact O-N 2.88Å
137D85.6Confident88.4Confident117 Ų11756.4 Ų56.463%0.62631%0.31SS*.THydrogen-bonded Turntrans-94.5-8.117680-10.7000113.6D135 S139D135-D137 PolarHBondContact O-N 2.74Å; D135-D137 VanDerWaalsContact OD1-OD1 3.07Å; D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact O-N 3.09Å; D137-S139 WeakPolarHBondContact OD1-CB 3.34Å; D137-S139 PolarHBondContact OD1-N 3.29Å; D137-S139 PolarHBondContact OD1-OG 3.15Å
138G86Confident88.5Confident57 Ų5759.4 Ų59.459%0.58832%0.321SS*.  trans67.427.8179.200000113D135 G140D135-G138 PolarHBondContact O-N 3.08Å; D135-G138 VanDerWaalsContact O-N 3.09Å; D135-G138 VanDerWaalsContact OD1-CA 3.31Å; D135-G138 WeakPolarHBondContact OD1-CA 3.44Å; D135-G138 PolarHBondContact OD1-N 3.41Å; D135-G138 VanDerWaalsContact OD1-N 3.07Å; D135-G138 WeakPolarHBondContact OD2-CA 3.31Å; G138-G140 PolarHBondContact O-N 3.37Å
139S90.2Very high88.3Confident53 Ų5361.8 Ų61.837%0.37133%0.329SS..  trans-70.7-19.9-18064.70000112.6D135 D137 F141D135-S139 PolarHBondContact OD1-N 2.87Å; D135-S139 PolarHBondContact OD1-OG 3.02Å; D137-S139 VanDerWaalsContact C-N 3.27Å; D137-S139 PolarHBondContact O-N 3.09Å; D137-S139 WeakPolarHBondContact OD1-CB 3.34Å; D137-S139 PolarHBondContact OD1-N 3.29Å; D137-S139 PolarHBondContact OD1-OG 3.15Å; S139-F141 VanDerWaalsContact O-CD2 3.28Å; S139-F141 WeakPolarHBondContact O-CD2 3.37Å; S139-F141 PolarHBondContact OG-N 3.47Å; S139-F141 VanDerWaalsContact OG-N 3.1Å; S139-F141 PolarHBondContact OG-O 3.42Å
140G91.2Very high88.1Confident21 Ų2159.6 Ų59.622%0.21632%0.317CS..SBendtrans75.510.9-167.900000112.8V108 D135 G138V108-G140 WeakPolarHBondContact CG1-O 3.44Å; V108-G140 WeakPolarHBondContact CG2-O 3.29Å; V108-G140 PolarHBondContact N-O 3.03Å; D135-G140 WeakPolarHBondContact OD2-CA 3.38Å; D135-G140 PolarHBondContact OD2-N 2.71Å; G138-G140 PolarHBondContact O-N 3.37Å
141F92.3Very high87.9Confident69 Ų6960.5 Ų60.530%0.30332%0.322SS..EExtended strand (participates in β ladder)trans-130.7146.6177.1-60.3-78.4000109.5E105 I106 S139E105-F141 HydrophobicContact CB-CB 4.01Å; E105-F141 HydrophobicContact CG-CB 4.01Å; E105-F141 HydrophobicContact CG-CD1 3.91Å; E105-F141 HydrophobicContact CG-CG 4.12Å; E105-F141 VanDerWaalsContact OE2-CD1 3.26Å; E105-F141 WeakPolarHBondContact OE2-CD1 3.46Å; E105-F141 WeakPolarHBondContact OE2-CD2 3.41Å; E105-F141 WeakPolarHBondContact OE2-CG 3.34Å; I106-F141 CarbonylContact O-C 3.43Å; I106-F141 VanDerWaalsContact O-CA 3.3Å; I106-F141 WeakPolarHBondContact O-CA 3.34Å; S139-F141 VanDerWaalsContact O-CD2 3.28Å; S139-F141 WeakPolarHBondContact O-CD2 3.37Å; S139-F141 PolarHBondContact OG-N 3.47Å; S139-F141 VanDerWaalsContact OG-N 3.1Å; S139-F141 PolarHBondContact OG-O 3.42Å
142V91.4Very high87.6Confident0 Ų062.9 Ų62.90%034%0.337CS..EExtended strand (participates in β ladder)trans-117.2119.2179.4171.60000108.4E105 I106 V108 L111 T134 D135 E146 F147E105-V142 CarbonylContact C-O 3.53Å; E105-V142 WeakPolarHBondContact CA-O 3.35Å; I106-V142 HydrophobicContact CD1-CB 4.2Å; I106-V142 HydrophobicContact CD1-CG1 4.24Å; I106-V142 HydrophobicContact CG1-CB 3.68Å; I106-V142 HydrophobicContact CG1-CG1 4.18Å; I106-V142 WeakPolarHBondContact CG1-O 3.33Å; I106-V142 PolarHBondContact N-O 3.01Å; I106-V142 PolarHBondContact O-N 3.11Å; V108-V142 HydrophobicContact CG1-CG2 3.95Å; L111-V142 HydrophobicContact CD2-CB 4.37Å; L111-V142 HydrophobicContact CD2-CG1 4.34Å; L111-V142 HydrophobicContact CD2-CG2 3.85Å; T134-V142 HydrophobicContact CG2-CB 4.39Å; T134-V142 HydrophobicContact CG2-CG1 3.56Å; T134-V142 HydrophobicContact CG2-CG2 3.88Å; D135-V142 HydrophobicContact CB-CG2 4.46Å; V142-E146 WeakPolarHBondContact CA-OE2 3.23Å; V142-E146 HydrophobicContact CG1-CB 3.71Å; V142-F147 HydrophobicContact CG1-CB 3.95Å
143D92.3Very high86.7Confident70 Ų7059.8 Ų59.837%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-78.1175.7175.478.834.5000112.1D145 E146 F147D143-D145 VanDerWaalsContact C-N 3.33Å; D143-D145 PolarHBondContact O-N 3.41Å; D143-D145 WeakPolarHBondContact OD1-CA 3.44Å; D143-D145 WeakPolarHBondContact OD1-CB 3.39Å; D143-D145 PolarHBondContact OD1-N 3.2Å; D143-E146 PolarHBondContact N-OE2 3.47Å; D143-E146 PolarHBondContact O-N 3.06Å; D143-E146 PolarHBondContact OD1-N 3.24Å; D143-F147 WeakPolarHBondContact O-CB 3.36Å; D143-F147 PolarHBondContact O-N 2.84Å
144F90.8Very high84.8Confident41 Ų4166.5 Ų66.518%0.1837%0.366CS..Hα-helixtrans-66.2-32.8-178.6-179.9-100.6000113.4R92 F95 Y148R92-F144 HydrophobicContact CB-CE2 4.19Å; R92-F144 HydrophobicContact CB-CZ 4.4Å; R92-F144 HydrophobicContact CG-CD2 4.38Å; R92-F144 HydrophobicContact CG-CE1 4.09Å; R92-F144 HydrophobicContact CG-CE2 3.46Å; R92-F144 VanDerWaalsContact CG-CE2 3.46Å; R92-F144 HydrophobicContact CG-CZ 3.28Å; F95-F144 HydrophobicContact CB-CD2 3.9Å; F95-F144 HydrophobicContact CB-CE2 4.28Å; F95-F144 HydrophobicContact CD1-CD2 4.22Å; F95-F144 HydrophobicContact CD2-CB 4.37Å; F95-F144 AromaticContact CD2-CD2 3.97Å; F95-F144 HydrophobicContact CD2-CD2 3.97Å; F95-F144 HydrophobicContact CE1-CB 4.31Å; F95-F144 HydrophobicContact CE2-CB 4.13Å; F95-F144 AromaticContact CG-CD2 3.76Å; F95-F144 HydrophobicContact CG-CD2 3.76Å; F95-F144 HydrophobicContact CZ-CB 4.1Å; F144-Y148 HydrophobicContact CE1-CD2 4.42Å; F144-Y148 HydrophobicContact CZ-CD2 4.13Å; F144-Y148 WeakPolarHBondContact O-CB 3.5Å; F144-Y148 PolarHBondContact O-N 3.46Å
145D88.8Confident84.7Confident86 Ų8669.3 Ų69.346%0.4638%0.381SS..Hα-helixtrans-69.7-41.6178.9-172.4-100.1000110.6D143 Y148 K149D143-D145 VanDerWaalsContact C-N 3.33Å; D143-D145 PolarHBondContact O-N 3.41Å; D143-D145 WeakPolarHBondContact OD1-CA 3.44Å; D143-D145 WeakPolarHBondContact OD1-CB 3.39Å; D143-D145 PolarHBondContact OD1-N 3.2Å; D145-Y148 PolarHBondContact O-N 2.84Å; D145-K149 WeakPolarHBondContact O-CB 3.39Å; D145-K149 WeakPolarHBondContact O-CG 3.3Å; D145-K149 PolarHBondContact O-N 3.16Å; D145-K149 WeakPolarHBondContact OD1-CE 3.33Å; D145-K149 IonicContact OD1-NZ 2.68Å; D145-K149 PolarHBondContact OD1-NZ 2.93Å
146E89.3Confident84.5Confident24 Ų2471.7 Ų71.711%0.11240%0.395CS..Hα-helixtrans-64.3-47.4173.3-68.2175142.900111.5T134 V142 D143 Y148 K149 L150T134-E146 HydrophobicContact CG2-CB 3.85Å; V142-E146 WeakPolarHBondContact CA-OE2 3.23Å; V142-E146 HydrophobicContact CG1-CB 3.71Å; D143-E146 PolarHBondContact N-OE2 3.47Å; D143-E146 PolarHBondContact O-N 3.06Å; D143-E146 PolarHBondContact OD1-N 3.24Å; E146-Y148 VanDerWaalsContact C-N 3.34Å; E146-Y148 PolarHBondContact O-N 2.91Å; E146-K149 PolarHBondContact O-N 2.99Å; E146-L150 WeakPolarHBondContact O-CB 3.42Å; E146-L150 PolarHBondContact O-N 3.23Å
147F89.2Confident84.8Confident6 Ų669.4 Ų69.43%0.02638%0.379CS..Hα-helixtrans-60.1-43.1174.6-178.2-103.8000112L91 F95 L98 I106 L111 V142 D143 L150 M151L91-F147 HydrophobicContact CB-CE1 4.43Å; L91-F147 HydrophobicContact CD2-CE1 4.05Å; F95-F147 HydrophobicContact CB-CD1 4.15Å; F95-F147 HydrophobicContact CB-CE1 4.23Å; F95-F147 HydrophobicContact CD2-CB 3.83Å; F95-F147 AromaticContact CD2-CD1 3.82Å; F95-F147 HydrophobicContact CD2-CD1 3.82Å; F95-F147 AromaticContact CD2-CG 3.82Å; F95-F147 HydrophobicContact CD2-CG 3.82Å; F95-F147 HydrophobicContact CE2-CB 4.06Å; F95-F147 HydrophobicContact CE2-CG 4.49Å; F95-F147 HydrophobicContact CG-CD1 4.48Å; L98-F147 HydrophobicContact CD1-CE2 4.12Å; L98-F147 HydrophobicContact CD1-CZ 4.21Å; I106-F147 HydrophobicContact CD1-CD2 3.66Å; I106-F147 HydrophobicContact CD1-CE2 4.2Å; I106-F147 HydrophobicContact CD1-CG 4.36Å; L111-F147 HydrophobicContact CD1-CD2 4.01Å; L111-F147 HydrophobicContact CD1-CE2 3.93Å; V142-F147 HydrophobicContact CG1-CB 3.95Å; D143-F147 WeakPolarHBondContact O-CB 3.36Å; D143-F147 PolarHBondContact O-N 2.84Å; F147-L150 PolarHBondContact O-N 3.02Å; F147-M151 HydrophobicContact CD1-CG 4.32Å; F147-M151 HydrophobicContact CD2-CG 4.29Å; F147-M151 HydrophobicContact CE1-CG 3.99Å; F147-M151 HydrophobicContact CE2-CG 3.95Å; F147-M151 HydrophobicContact CE2-SD 4.24Å; F147-M151 HydrophobicContact CG-CG 4.47Å; F147-M151 HydrophobicContact CZ-CG 3.79Å; F147-M151 HydrophobicContact CZ-SD 4.24Å; F147-M151 WeakPolarHBondContact O-CB 3.37Å; F147-M151 WeakPolarHBondContact O-CG 3.47Å; F147-M151 PolarHBondContact O-N 3.01Å
148Y88.2Confident84.7Confident63 Ų6366.6 Ų66.625%0.24736%0.364CS..Hα-helixtrans-63.3-43.5178.4-177.7-90000111.3E88 L91 F144 D145 E146 M151 T152E88-Y148 HydrophobicContact CB-CE2 4.23Å; E88-Y148 HydrophobicContact CG-CD2 4.44Å; E88-Y148 HydrophobicContact CG-CE2 3.96Å; L91-Y148 HydrophobicContact CD1-CD2 3.82Å; L91-Y148 HydrophobicContact CD1-CE2 4.03Å; F144-Y148 HydrophobicContact CE1-CD2 4.42Å; F144-Y148 HydrophobicContact CZ-CD2 4.13Å; F144-Y148 WeakPolarHBondContact O-CB 3.5Å; F144-Y148 PolarHBondContact O-N 3.46Å; D145-Y148 PolarHBondContact O-N 2.84Å; E146-Y148 VanDerWaalsContact C-N 3.34Å; E146-Y148 PolarHBondContact O-N 2.91Å; Y148-M151 PolarHBondContact O-N 3.2Å; Y148-T152 HydrophobicContact CD1-CG2 4.29Å; Y148-T152 HydrophobicContact CD2-CG2 4.26Å; Y148-T152 HydrophobicContact CE1-CG2 3.91Å; Y148-T152 WeakPolarHBondContact CE1-OG1 3.42Å; Y148-T152 HydrophobicContact CE2-CG2 3.9Å; Y148-T152 HydrophobicContact CG-CG2 4.45Å; Y148-T152 WeakPolarHBondContact O-CB 3.33Å; Y148-T152 WeakPolarHBondContact O-CG2 3.35Å; Y148-T152 PolarHBondContact O-N 3.42Å; Y148-T152 PolarHBondContact O-OG1 2.98Å
149K85.9Confident84.7Confident113 Ų11367.3 Ų67.349%0.49135%0.35SS..Hα-helixtrans-62.3-46174.9-76.2167.1177.7158.50111.5D145 E146 M151 T152 S153D145-K149 WeakPolarHBondContact O-CB 3.39Å; D145-K149 WeakPolarHBondContact O-CG 3.3Å; D145-K149 PolarHBondContact O-N 3.16Å; D145-K149 WeakPolarHBondContact OD1-CE 3.33Å; D145-K149 IonicContact OD1-NZ 2.68Å; D145-K149 PolarHBondContact OD1-NZ 2.93Å; E146-K149 PolarHBondContact O-N 2.99Å; K149-M151 PolarHBondContact O-N 2.83Å; K149-T152 PolarHBondContact O-N 2.82Å; K149-S153 VanDerWaalsContact O-CB 3.27Å; K149-S153 WeakPolarHBondContact O-CB 3.4Å; K149-S153 PolarHBondContact O-N 3.18Å; K149-S153 PolarHBondContact O-OG 3.04Å
150L84.3Confident84.3Confident33 Ų3368.2 Ų68.217%0.17335%0.349CS..Hα-helixtrans-56.5-40.3177.3177.861.6000111.8L111 L115 M130 T134 E146 F147L111-L150 HydrophobicContact CD1-CD2 4.05Å; L111-L150 HydrophobicContact CD2-CD2 3.78Å; L111-L150 HydrophobicContact CG-CD2 4.34Å; L115-L150 HydrophobicContact CD1-CD2 4.47Å; M130-L150 HydrophobicContact CB-CD1 4.27Å; M130-L150 HydrophobicContact CE-CD1 3.75Å; T134-L150 HydrophobicContact CG2-CB 4.1Å; T134-L150 HydrophobicContact CG2-CD2 4.19Å; T134-L150 WeakPolarHBondContact OG1-CD1 3.17Å; E146-L150 WeakPolarHBondContact O-CB 3.42Å; E146-L150 PolarHBondContact O-N 3.23Å; F147-L150 PolarHBondContact O-N 3.02Å
151M82.9Confident83.8Confident74 Ų7471.6 Ų71.637%0.36536%0.358SS..Hα-helixtrans-86.1-14.6-176.1-61.7-66.3-67.800114.3L91 L118 F147 Y148 K149L91-M151 HydrophobicContact CD1-CB 4Å; L91-M151 HydrophobicContact CD2-CB 3.54Å; L91-M151 HydrophobicContact CD2-CE 3.84Å; L91-M151 HydrophobicContact CD2-CG 3.76Å; L91-M151 HydrophobicContact CG-CB 4.44Å; L118-M151 HydrophobicContact CD1-CE 4.37Å; F147-M151 HydrophobicContact CD1-CG 4.32Å; F147-M151 HydrophobicContact CD2-CG 4.29Å; F147-M151 HydrophobicContact CE1-CG 3.99Å; F147-M151 HydrophobicContact CE2-CG 3.95Å; F147-M151 HydrophobicContact CE2-SD 4.24Å; F147-M151 HydrophobicContact CG-CG 4.47Å; F147-M151 HydrophobicContact CZ-CG 3.79Å; F147-M151 HydrophobicContact CZ-SD 4.24Å; F147-M151 WeakPolarHBondContact O-CB 3.37Å; F147-M151 WeakPolarHBondContact O-CG 3.47Å; F147-M151 PolarHBondContact O-N 3.01Å; Y148-M151 PolarHBondContact O-N 3.2Å; K149-M151 PolarHBondContact O-N 2.83Å
152T81Confident83.1Confident63 Ų6371.8 Ų71.839%0.38736%0.362SS..Hα-helixtrans-117.5-0.6-178.761.60000114.6L91 Y148 K149 E154L91-T152 HydrophobicContact CD1-CG2 3.86Å; Y148-T152 HydrophobicContact CD1-CG2 4.29Å; Y148-T152 HydrophobicContact CD2-CG2 4.26Å; Y148-T152 HydrophobicContact CE1-CG2 3.91Å; Y148-T152 WeakPolarHBondContact CE1-OG1 3.42Å; Y148-T152 HydrophobicContact CE2-CG2 3.9Å; Y148-T152 HydrophobicContact CG-CG2 4.45Å; Y148-T152 WeakPolarHBondContact O-CB 3.33Å; Y148-T152 WeakPolarHBondContact O-CG2 3.35Å; Y148-T152 PolarHBondContact O-N 3.42Å; Y148-T152 PolarHBondContact O-OG1 2.98Å; K149-T152 PolarHBondContact O-N 2.82Å; T152-E154 PolarHBondContact O-N 3.45Å
153S69Low82.5Confident92 Ų9277.8 Ų77.864%0.64339%0.393SS*.  trans-75.4108.4174-63.30000110K149K149-S153 VanDerWaalsContact O-CB 3.27Å; K149-S153 WeakPolarHBondContact O-CB 3.4Å; K149-S153 PolarHBondContact O-N 3.18Å; K149-S153 PolarHBondContact O-OG 3.04Å
154E47.9Very low81.6Confident268 Ų26878.5 Ų78.5100%1.25239%0.394SS*.  trans-81.90161.7-71.3-166.599.300112T152T152-E154 PolarHBondContact O-N 3.45Å

Retrieved 154 of 154 residues in 63.9 ms (Link to these results)

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