A0A077Z3I5_TRITR Loading...

D-3-phosphoglycerate dehydrogenase

AlphaFold DB , UniProt , Accession A0A077Z3I5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 311 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
1M43.8Very low72.6Confident214 Ų214101.6 Ų101.6100%1.05450%0.502SS*.  0128.40-78.4177.4178.100107.7
2T44Very low74.7Confident96 Ų9693.2 Ų93.259%0.58946%0.46SS*.  trans-61.6151.1174.249.50000110E4 N5T2-E4 PolarHBondContact O-N 2.9Å; T2-E4 VanDerWaalsContact O-N 3.08Å; T2-N5 PolarHBondContact O-N 3.15Å; T2-N5 VanDerWaalsContact O-N 3.08Å
3S57.1Low76.4Confident87 Ų8786 Ų8661%0.60842%0.424SS*.Hα-helixtrans-51.3-32.2178.953.60000112.8N5 S6S3-N5 VanDerWaalsContact C-N 3.29Å; S3-N5 PolarHBondContact O-N 2.91Å; S3-S6 WeakPolarHBondContact O-CB 3.48Å; S3-S6 PolarHBondContact O-N 3.28Å; S3-S6 VanDerWaalsContact O-N 3.09Å
4E52.6Low77.8Confident158 Ų15879.9 Ų79.974%0.73840%0.395SS*.Hα-helixtrans-54.1-37.1176.9-82.4-179.7150.900114.3T2 S6T2-E4 PolarHBondContact O-N 2.9Å; T2-E4 VanDerWaalsContact O-N 3.08Å; E4-S6 VanDerWaalsContact C-N 3.33Å
5N64.3Low78.9Confident67 Ų6774.6 Ų74.636%0.35837%0.368SS..Hα-helixtrans-83.1-15.4-176.9-149.826000112.6T2 S3 R7 K74T2-N5 PolarHBondContact O-N 3.15Å; T2-N5 VanDerWaalsContact O-N 3.08Å; S3-N5 VanDerWaalsContact C-N 3.29Å; S3-N5 PolarHBondContact O-N 2.91Å; N5-R7 PolarHBondContact O-N 2.97Å; N5-K74 PolarHBondContact O-NZ 2.84Å
6S76.1Confident79.7Confident79 Ų7970.2 Ų70.255%0.55235%0.347SS*.Hα-helixtrans-68.9-33.6-176.2-179.50000112S3 E4 K74S3-S6 WeakPolarHBondContact O-CB 3.48Å; S3-S6 PolarHBondContact O-N 3.28Å; S3-S6 VanDerWaalsContact O-N 3.09Å; E4-S6 VanDerWaalsContact C-N 3.33Å; S6-K74 WeakPolarHBondContact O-CD 3.25Å; S6-K74 WeakPolarHBondContact O-CE 3.36Å; S6-K74 PolarHBondContact O-NZ 3.46Å
7R83Confident80.1Confident89 Ų8975.1 Ų75.134%0.33637%0.366SS..Hα-helixtrans-101.7-16.5-174.8-75.2-179.2176.9166.95.4116.4N5 I9 F307 C310 K311N5-R7 PolarHBondContact O-N 2.97Å; R7-I9 PolarHBondContact O-N 2.95Å; R7-F307 HydrophobicContact CB-CE1 4.22Å; R7-F307 HydrophobicContact CG-CE1 4.21Å; R7-F307 HydrophobicContact CG-CZ 4.24Å; R7-F307 WeakPolarHBondContact O-CD1 3.38Å; R7-F307 WeakPolarHBondContact O-CE1 3.34Å; R7-C310 WeakPolarHBondContact CD-O 3.3Å; R7-C310 PolarHBondContact NH1-O 2.82Å; R7-C310 PolarHBondContact NH1-SG 3.01Å; R7-K311 PolarHBondContact NH1-O 2.74Å
8R91.8Very high80.2Confident131 Ų13171.8 Ų71.849%0.49435%0.35SS..  trans-56.5125.1-180-172.8172.5-179.7176.32.7112.6R10 K74 D308R8-R10 HydrophobicContact CG-CG 4.36Å; R8-K74 PolarHBondContact O-NZ 3Å; R8-D308 VanDerWaalsContact CA-OD1 3.28Å; R8-D308 WeakPolarHBondContact CA-OD1 3.44Å
9I94.5Very high80Confident5 Ų569.5 Ų69.53%0.02634%0.341CS..  trans-103.2120.3175.1-55.8-175.1000108.2R7 V12 I31 D52 A53 I75 L304 F307 D308R7-I9 PolarHBondContact O-N 2.95Å; I9-V12 HydrophobicContact CG2-CG2 3.73Å; I9-I31 HydrophobicContact CB-CD1 4.25Å; I9-I31 HydrophobicContact CG2-CD1 4.24Å; I9-I31 HydrophobicContact CG2-CG2 3.91Å; I9-D52 HydrophobicContact CB-CB 4.46Å; I9-D52 HydrophobicContact CG2-CB 4.08Å; I9-A53 HydrophobicContact CD1-CB 4.35Å; I9-A53 HydrophobicContact CG2-CB 4.12Å; I9-I75 HydrophobicContact CD1-CG2 3.82Å; I9-L304 HydrophobicContact CD1-CB 4.34Å; I9-L304 HydrophobicContact CD1-CD2 3.68Å; I9-F307 HydrophobicContact CD1-CB 4.28Å; I9-F307 HydrophobicContact CD1-CD1 3.68Å; I9-F307 HydrophobicContact CD1-CE1 4.48Å; I9-F307 HydrophobicContact CD1-CG 4.35Å; I9-F307 HydrophobicContact CG1-CD1 3.9Å; I9-F307 HydrophobicContact CG1-CE1 4.42Å; I9-D308 HydrophobicContact CB-CB 4.35Å; I9-D308 HydrophobicContact CG1-CB 4.27Å; I9-D308 PolarHBondContact N-OD1 3.34Å
10R94.8Very high79.9Confident129 Ų12968.3 Ų68.349%0.48735%0.347SS..  trans-107.3-41.4174.5-60.1-174.6-173.7-173.33.2111.9R8 E32 D52R8-R10 HydrophobicContact CG-CG 4.36Å; R10-E32 WeakPolarHBondContact O-CB 3.37Å; R10-E32 PolarHBondContact O-N 3.37Å; R10-D52 WeakPolarHBondContact CA-OD2 3.32Å; R10-D52 WeakPolarHBondContact CB-OD2 3.5Å; R10-D52 PolarHBondContact N-OD2 3.02Å
11K97.1Very high79.9Confident63 Ų6371.2 Ų71.227%0.27436%0.358SS..EExtended strand (participates in β ladder)trans-124.2128.8-178.1-70.5-172.6171.8-1660111.7E32 Y51 D52 A53K11-E32 CarbonylContact C-O 3.56Å; K11-E32 WeakPolarHBondContact CA-O 3.42Å; K11-E32 WeakPolarHBondContact CE-OE1 3.47Å; K11-E32 WeakPolarHBondContact CE-OE2 3.37Å; K11-E32 HydrophobicContact CG-CB 4.17Å; K11-E32 IonicContact NZ-OE1 3.74Å; K11-Y51 HydrophobicContact CB-CD1 3.71Å; K11-Y51 HydrophobicContact CB-CE1 4.16Å; K11-Y51 HydrophobicContact CB-CG 4.44Å; K11-D52 PolarHBondContact N-OD2 3.13Å; K11-D52 PolarHBondContact O-N 3.33Å; K11-A53 PolarHBondContact O-N 3.41Å
12V97.2Very high81.7Confident0 Ų061 Ų610%031%0.307CS..EExtended strand (participates in β ladder)trans-114.5127.7173.71780000109.5I9 V14 I26 I31 E32 Y34 Y51 A53 V55 L304I9-V12 HydrophobicContact CG2-CG2 3.73Å; V12-V14 HydrophobicContact CG1-CG2 4.05Å; V12-I26 HydrophobicContact CG2-CG2 4.45Å; V12-I31 HydrophobicContact CB-CG2 4.3Å; V12-I31 HydrophobicContact CG2-CG2 3.36Å; V12-E32 PolarHBondContact N-O 3.04Å; V12-Y34 PolarHBondContact O-N 2.8Å; V12-Y51 VanDerWaalsContact C-CD1 3.42Å; V12-A53 WeakPolarHBondContact CA-O 3.29Å; V12-A53 HydrophobicContact CB-CB 4.46Å; V12-A53 HydrophobicContact CG1-CB 4.37Å; V12-A53 HydrophobicContact CG2-CB 3.92Å; V12-V55 HydrophobicContact CG1-CG2 3.78Å; V12-L304 HydrophobicContact CG1-CD1 4.11Å; V12-L304 HydrophobicContact CG2-CD1 3.89Å; V12-L304 HydrophobicContact CG2-CD2 4.1Å
13L97.3Very high83.7Confident0 Ų057.4 Ų57.40%029%0.285CS..EExtended strand (participates in β ladder)trans-94.2118.4169178.255.3000109.1Y34 I39 I44 M47 I48 Y51 A53 L54 V55L13-Y34 HydrophobicContact CD1-CD1 3.56Å; L13-Y34 HydrophobicContact CD1-CE1 4.3Å; L13-Y34 HydrophobicContact CD1-CG 4.49Å; L13-I39 HydrophobicContact CD1-CD1 3.68Å; L13-I44 HydrophobicContact CD2-CG2 3.96Å; L13-M47 HydrophobicContact CD1-CE 4Å; L13-M47 HydrophobicContact CD1-SD 4.25Å; L13-M47 HydrophobicContact CD2-CG 4.18Å; L13-M47 HydrophobicContact CD2-SD 4.49Å; L13-I48 HydrophobicContact CD2-CB 4.44Å; L13-I48 HydrophobicContact CD2-CG1 4.41Å; L13-Y51 HydrophobicContact CB-CD1 3.57Å; L13-Y51 HydrophobicContact CB-CD2 4.09Å; L13-Y51 HydrophobicContact CB-CE1 3.91Å; L13-Y51 HydrophobicContact CB-CE2 4.41Å; L13-Y51 HydrophobicContact CB-CG 3.66Å; L13-Y51 HydrophobicContact CD2-CD2 4.33Å; L13-Y51 HydrophobicContact CD2-CE2 4.49Å; L13-Y51 VanDerWaalsContact N-CD1 3.26Å; L13-A53 PolarHBondContact N-O 2.64Å; L13-L54 HydrophobicContact CB-CD1 4.1Å; L13-L54 HydrophobicContact CD2-CD1 3.92Å; L13-L54 HydrophobicContact CG-CD1 3.91Å; L13-L54 CarbonylContact O-C 3.03Å; L13-L54 WeakPolarHBondContact O-CA 3.31Å; L13-V55 PolarHBondContact O-N 2.86Å
14V95.7Very high85.3Confident1 Ų157.3 Ų57.31%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-101.799.6171.2-173.90000107.7V12 D16 L18 L23 V33 Y34 V55V12-V14 HydrophobicContact CG1-CG2 4.05Å; V14-D16 WeakPolarHBondContact CG1-O 3.48Å; V14-L18 HydrophobicContact CG1-CB 3.79Å; V14-L18 HydrophobicContact CG1-CD2 4.27Å; V14-L23 HydrophobicContact CG1-CD2 4.48Å; V14-L23 HydrophobicContact CG2-CD2 3.89Å; V14-V33 HydrophobicContact CG2-CG1 3.74Å; V14-Y34 PolarHBondContact N-O 3.24Å; V14-V55 HydrophobicContact CB-CB 4.48Å; V14-V55 HydrophobicContact CG1-CB 4.33Å; V14-V55 HydrophobicContact CG1-CG1 4.34Å; V14-V55 HydrophobicContact CG2-CB 4.18Å; V14-V55 HydrophobicContact CG2-CG2 4.43Å
15A94.9Very high87.1Confident0 Ų053.4 Ų53.40%026%0.255CS..  trans-72.3-29.9-171.300000113.8G37 I39 I44 L54 V55 V56 T60A15-G37 CarbonylContact C-O 3.58Å; A15-I39 PolarHBondContact O-N 2.85Å; A15-I44 HydrophobicContact CB-CD1 3.72Å; A15-I44 HydrophobicContact CB-CG1 4.5Å; A15-L54 HydrophobicContact CB-CD1 4.2Å; A15-V55 PolarHBondContact N-O 2.92Å; A15-V56 HydrophobicContact CB-CG1 3.98Å; A15-T60 HydrophobicContact CB-CG2 4.14Å
16D91.8Very high88.4Confident4 Ų450.2 Ų50.22%0.02124%0.238CC..SBendtrans-120.3160.8-175.8-61.5-54.6000111.2V14 L18 G37 R57 S59 T60V14-D16 WeakPolarHBondContact CG1-O 3.48Å; D16-L18 PolarHBondContact O-N 3.26Å; D16-L18 VanDerWaalsContact O-N 3.09Å; D16-G37 CarbonylContact C-O 3.55Å; D16-G37 VanDerWaalsContact C-O 3.24Å; D16-G37 WeakPolarHBondContact CA-O 3.21Å; D16-R57 HydrophobicContact CB-CB 3.69Å; D16-R57 HydrophobicContact CB-CG 3.91Å; D16-R57 WeakPolarHBondContact OD2-CA 3.37Å; D16-R57 PolarHBondContact OD2-N 3.39Å; D16-S59 PolarHBondContact OD1-OG 3.05Å; D16-T60 VanDerWaalsContact CG-OG1 3.26Å; D16-T60 PolarHBondContact OD1-OG1 3.46Å; D16-T60 WeakPolarHBondContact OD2-CB 3.33Å; D16-T60 PolarHBondContact OD2-OG1 3.31Å; D16-T60 VanDerWaalsContact OD2-OG1 3.11Å
17K86.1Confident89.2Confident154 Ų15451 Ų5167%0.6723%0.231SC*.  trans-56.3119.2179.1-172177.9-177.5178.60111.8G37 N38 R57K17-G37 PolarHBondContact N-O 2.71Å; K17-N38 PolarHBondContact N-OD1 3.16Å; K17-R57 VanDerWaalsContact O-CD 3.28Å; K17-R57 WeakPolarHBondContact O-CD 3.27Å; K17-R57 VanDerWaalsContact O-CZ 3.24Å; K17-R57 PolarHBondContact O-NE 3.08Å
18L82Confident89.6Confident15 Ų1556.9 Ų56.98%0.07925%0.254CS..  trans-117.8147.7173.6-164.569.8000110.6V14 D16 L23 V55 A79 V296 I300V14-L18 HydrophobicContact CG1-CB 3.79Å; V14-L18 HydrophobicContact CG1-CD2 4.27Å; D16-L18 PolarHBondContact O-N 3.26Å; D16-L18 VanDerWaalsContact O-N 3.09Å; L18-L23 HydrophobicContact CB-CD2 4.32Å; L18-L23 HydrophobicContact CD2-CD2 3.73Å; L18-L23 HydrophobicContact CG-CD2 4.48Å; L18-V55 HydrophobicContact CD2-CG1 4.49Å; L18-A79 HydrophobicContact CD1-CB 4.07Å; L18-V296 HydrophobicContact CD1-CG1 4.35Å; L18-I300 HydrophobicContact CD1-CD1 3.6Å; L18-I300 HydrophobicContact CD2-CD1 4Å; L18-I300 HydrophobicContact CG-CD1 4.47Å
19P76.1Confident89.7Confident28 Ų2853.5 Ų53.518%0.18224%0.243CC..  trans-59.7139.7174.5-25.535.4000112.8K21 G22 Q293 A297P19-K21 VanDerWaalsContact C-N 3.3Å; P19-K21 PolarHBondContact O-N 3.49Å; P19-G22 PolarHBondContact O-N 2.97Å; P19-Q293 HydrophobicContact CG-CB 3.64Å; P19-A297 HydrophobicContact CB-CB 4.25Å; P19-A297 HydrophobicContact CG-CB 4.39Å
20G78.9Confident89.6Confident46 Ų4656.4 Ų56.447%0.47428%0.275SS..Hα-helixtrans-59.8-33.7-174.700000114.6G22 L23 E24G20-G22 VanDerWaalsContact C-N 3.31Å; G20-G22 PolarHBondContact O-N 3.31Å; G20-L23 WeakPolarHBondContact O-CB 3.44Å; G20-L23 PolarHBondContact O-N 3.32Å; G20-L23 VanDerWaalsContact O-N 3.12Å; G20-E24 PolarHBondContact O-N 2.85Å; G20-E24 VanDerWaalsContact O-N 3.14Å
21K80Confident89.7Confident129 Ų12950.5 Ų50.556%0.56125%0.253SS*.Hα-helixtrans-57.5-39.3-178.4-67.9-178.3-172.8167.20113.2P19 K25 D294P19-K21 VanDerWaalsContact C-N 3.3Å; P19-K21 PolarHBondContact O-N 3.49Å; K21-K25 PolarHBondContact O-N 2.66Å; K21-D294 IonicContact NZ-OD1 3.36Å; K21-D294 IonicContact NZ-OD2 2.64Å; K21-D294 PolarHBondContact NZ-OD2 2.95Å
22G80.9Confident89.6Confident0 Ų052.6 Ų52.60%026%0.263CS..Hα-helixtrans-70.1-37.5177.800000112.8P19 G20 E24 K25 I26P19-G22 PolarHBondContact O-N 2.97Å; G20-G22 VanDerWaalsContact C-N 3.31Å; G20-G22 PolarHBondContact O-N 3.31Å; G22-E24 VanDerWaalsContact C-N 3.32Å; G22-E24 PolarHBondContact O-N 2.84Å; G22-K25 PolarHBondContact O-N 2.86Å; G22-I26 WeakPolarHBondContact O-CG1 3.24Å; G22-I26 PolarHBondContact O-N 3.01Å
23L85.9Confident89.5Confident21 Ų2153.7 Ų53.711%0.1127%0.27CS..Hα-helixtrans-62.3-41.5177.6-53.5-179.3000111.1V14 L18 G20 K25 I26 K27 V33V14-L23 HydrophobicContact CG1-CD2 4.48Å; V14-L23 HydrophobicContact CG2-CD2 3.89Å; L18-L23 HydrophobicContact CB-CD2 4.32Å; L18-L23 HydrophobicContact CD2-CD2 3.73Å; L18-L23 HydrophobicContact CG-CD2 4.48Å; G20-L23 WeakPolarHBondContact O-CB 3.44Å; G20-L23 PolarHBondContact O-N 3.32Å; G20-L23 VanDerWaalsContact O-N 3.12Å; L23-K25 VanDerWaalsContact C-N 3.32Å; L23-K25 PolarHBondContact O-N 2.93Å; L23-I26 PolarHBondContact O-N 3.47Å; L23-K27 WeakPolarHBondContact O-CG 3.49Å; L23-K27 PolarHBondContact O-N 2.83Å; L23-V33 HydrophobicContact CD2-CG1 3.88Å
24E89.6Confident89.4Confident85 Ų8558 Ų5840%0.39729%0.287SS..Hα-helixtrans-63.7-36.7178.1-66.9-52122.100112.8G20 G22 K27 R28G20-E24 PolarHBondContact O-N 2.85Å; G20-E24 VanDerWaalsContact O-N 3.14Å; G22-E24 VanDerWaalsContact C-N 3.32Å; G22-E24 PolarHBondContact O-N 2.84Å; E24-K27 PolarHBondContact O-N 2.97Å; E24-K27 IonicContact OE1-NZ 2.72Å; E24-K27 PolarHBondContact OE1-NZ 3.13Å; E24-R28 WeakPolarHBondContact O-CB 3.39Å; E24-R28 VanDerWaalsContact O-CG 3.27Å; E24-R28 WeakPolarHBondContact O-CG 3.31Å; E24-R28 PolarHBondContact O-N 2.86Å
25K90.5Very high89.2Confident75 Ų7559.9 Ų59.933%0.32630%0.301SS..Hα-helixtrans-64.9-41.4175.3-173172.5-179.3-179.30112K21 G22 L23 H29 A301 N302 I305K21-K25 PolarHBondContact O-N 2.66Å; G22-K25 PolarHBondContact O-N 2.86Å; L23-K25 VanDerWaalsContact C-N 3.32Å; L23-K25 PolarHBondContact O-N 2.93Å; K25-H29 PolarHBondContact O-N 2.64Å; K25-A301 HydrophobicContact CB-CB 3.96Å; K25-A301 HydrophobicContact CD-CB 3.78Å; K25-A301 HydrophobicContact CG-CB 3.93Å; K25-N302 WeakPolarHBondContact CE-OD1 3.5Å; K25-N302 PolarHBondContact NZ-OD1 2.83Å; K25-I305 HydrophobicContact CG-CD1 4.29Å
26I91.5Very high88.8Confident0 Ų065.8 Ų65.80%033%0.332CS..Hα-helixtrans-64.8-46.5177.3-62.1160.9000110.5V12 G22 L23 R28 H29 I31 V33 I300 A301 L304V12-I26 HydrophobicContact CG2-CG2 4.45Å; G22-I26 WeakPolarHBondContact O-CG1 3.24Å; G22-I26 PolarHBondContact O-N 3.01Å; L23-I26 PolarHBondContact O-N 3.47Å; I26-R28 PolarHBondContact O-N 2.68Å; I26-H29 WeakPolarHBondContact O-CB 3.37Å; I26-H29 PolarHBondContact O-N 3.46Å; I26-H29 VanDerWaalsContact O-N 3.15Å; I26-I31 HydrophobicContact CG2-CB 3.67Å; I26-I31 HydrophobicContact CG2-CD1 4.22Å; I26-I31 HydrophobicContact CG2-CG2 3.74Å; I26-I31 PolarHBondContact O-N 3.21Å; I26-V33 HydrophobicContact CB-CG2 3.85Å; I26-V33 HydrophobicContact CG2-CG2 3.32Å; I26-I300 HydrophobicContact CD1-CG2 4.34Å; I26-A301 HydrophobicContact CD1-CB 4.32Å; I26-A301 HydrophobicContact CG1-CB 3.69Å; I26-L304 HydrophobicContact CD1-CD1 3.62Å; I26-L304 HydrophobicContact CG1-CD1 4Å; I26-L304 HydrophobicContact CG2-CD1 4.26Å
27K92.7Very high88.5Confident96 Ų9666.9 Ų66.942%0.41734%0.344SS..Hα-helixtrans-60.9-40.5178.2-69.8173.8-170.4169.90113L23 E24 H29 G30 I31 V33L23-K27 WeakPolarHBondContact O-CG 3.49Å; L23-K27 PolarHBondContact O-N 2.83Å; E24-K27 PolarHBondContact O-N 2.97Å; E24-K27 IonicContact OE1-NZ 2.72Å; E24-K27 PolarHBondContact OE1-NZ 3.13Å; K27-H29 PolarHBondContact O-N 3.4Å; K27-G30 PolarHBondContact O-N 3.09Å; K27-I31 WeakPolarHBondContact CA-O 3.34Å; K27-V33 HydrophobicContact CG-CB 4.29Å; K27-V33 HydrophobicContact CG-CG2 4Å
28R93.2Very high88.6Confident212 Ų21264.9 Ų64.980%0.834%0.341SS*.Hα-helixtrans-62.5-25.7177.2-76.5175.2-170.5-178.52.6113.5E24 I26 G30E24-R28 WeakPolarHBondContact O-CB 3.39Å; E24-R28 VanDerWaalsContact O-CG 3.27Å; E24-R28 WeakPolarHBondContact O-CG 3.31Å; E24-R28 PolarHBondContact O-N 2.86Å; I26-R28 PolarHBondContact O-N 2.68Å; R28-G30 PolarHBondContact O-N 2.98Å
29H92.6Very high89.2Confident60 Ų6065.1 Ų65.128%0.27834%0.342SS..THydrogen-bonded Turntrans-76.8-5.8173.2-169.174000112.9K25 I26 K27 I305 D308 Q309K25-H29 PolarHBondContact O-N 2.64Å; I26-H29 WeakPolarHBondContact O-CB 3.37Å; I26-H29 PolarHBondContact O-N 3.46Å; I26-H29 VanDerWaalsContact O-N 3.15Å; K27-H29 PolarHBondContact O-N 3.4Å; H29-I305 HydrophobicContact CB-CD1 4Å; H29-I305 HydrophobicContact CB-CG1 3.9Å; H29-D308 IonicContact CD2-OD2 3.98Å; H29-D308 IonicContact NE2-OD2 3.73Å; H29-D308 PolarHBondContact NE2-OD2 3.32Å; H29-Q309 PolarHBondContact CE1-NE2 3.23Å
30G93.8Very high90.1Very high67 Ų6771.6 Ų71.669%0.69137%0.367SS*.THydrogen-bonded Turntrans89.113.9-178.800000114.1K27 R28K27-G30 PolarHBondContact O-N 3.09Å; R28-G30 PolarHBondContact O-N 2.98Å
31I95.3Very high90.9Very high4 Ų472.8 Ų72.82%0.02136%0.358CS..  trans-90.1125.3173.9-60.2171.7000108.8I9 V12 I26 K27 L304I9-I31 HydrophobicContact CB-CD1 4.25Å; I9-I31 HydrophobicContact CG2-CD1 4.24Å; I9-I31 HydrophobicContact CG2-CG2 3.91Å; V12-I31 HydrophobicContact CB-CG2 4.3Å; V12-I31 HydrophobicContact CG2-CG2 3.36Å; I26-I31 HydrophobicContact CG2-CB 3.67Å; I26-I31 HydrophobicContact CG2-CD1 4.22Å; I26-I31 HydrophobicContact CG2-CG2 3.74Å; I26-I31 PolarHBondContact O-N 3.21Å; K27-I31 WeakPolarHBondContact CA-O 3.34Å; I31-L304 HydrophobicContact CD1-CB 4.44Å
32E95.4Very high91.7Very high107 Ų10772 Ų7250%0.536%0.36SS..EExtended strand (participates in β ladder)trans-71.5129.5173.3-173.5-17414900109.6R10 K11 V12R10-E32 WeakPolarHBondContact O-CB 3.37Å; R10-E32 PolarHBondContact O-N 3.37Å; K11-E32 CarbonylContact C-O 3.56Å; K11-E32 WeakPolarHBondContact CA-O 3.42Å; K11-E32 WeakPolarHBondContact CE-OE1 3.47Å; K11-E32 WeakPolarHBondContact CE-OE2 3.37Å; K11-E32 HydrophobicContact CG-CB 4.17Å; K11-E32 IonicContact NZ-OE1 3.74Å; V12-E32 PolarHBondContact N-O 3.04Å
33V94.9Very high92.4Very high23 Ų2375.1 Ų75.114%0.13938%0.378CS..EExtended strand (participates in β ladder)trans-120.2119.1-176.8-176.60000109.3V14 L23 I26 K27V14-V33 HydrophobicContact CG2-CG1 3.74Å; L23-V33 HydrophobicContact CD2-CG1 3.88Å; I26-V33 HydrophobicContact CB-CG2 3.85Å; I26-V33 HydrophobicContact CG2-CG2 3.32Å; K27-V33 HydrophobicContact CG-CB 4.29Å; K27-V33 HydrophobicContact CG-CG2 4Å
34Y95Very high93Very high90 Ų9074.1 Ų74.135%0.35337%0.373SS..EExtended strand (participates in β ladder)trans-99.2124.5168.4-174.2-92.7000109.8V12 L13 V14 N36 I39 M47 Y51V12-Y34 PolarHBondContact O-N 2.8Å; L13-Y34 HydrophobicContact CD1-CD1 3.56Å; L13-Y34 HydrophobicContact CD1-CE1 4.3Å; L13-Y34 HydrophobicContact CD1-CG 4.49Å; V14-Y34 PolarHBondContact N-O 3.24Å; Y34-N36 HydrophobicContact CE1-CB 4.47Å; Y34-I39 HydrophobicContact CD1-CD1 3.99Å; Y34-I39 HydrophobicContact CE1-CD1 3.7Å; Y34-M47 HydrophobicContact CD1-CE 3.45Å; Y34-M47 VanDerWaalsContact CD1-CE 3.45Å; Y34-M47 HydrophobicContact CE1-CE 3.38Å; Y34-M47 HydrophobicContact CE1-SD 4.11Å; Y34-M47 HydrophobicContact CE2-CE 4.47Å; Y34-M47 HydrophobicContact CG-CE 4.02Å; Y34-Y51 VanDerWaalsContact CB-OH 3.31Å; Y34-Y51 WeakPolarHBondContact CB-OH 3.44Å
35S91.2Very high93.3Very high42 Ų4271 Ų7129%0.29436%0.359SS..EExtended strand (participates in β ladder)trans-149.3131.8174.8-170.70000109.3
36N87.9Confident93.6Very high123 Ų12373.8 Ų73.866%0.65838%0.378SS*.  trans-13538.5177-166.628.3000111.9Y34 I39Y34-N36 HydrophobicContact CE1-CB 4.47Å; N36-I39 HydrophobicContact CB-CG1 4.39Å
37G84.8Confident93.9Very high27 Ų2775.4 Ų75.428%0.27839%0.386SS..SBendtrans76.5-131.4-174.200000111.9A15 D16 K17 I39A15-G37 CarbonylContact C-O 3.58Å; D16-G37 CarbonylContact C-O 3.55Å; D16-G37 VanDerWaalsContact C-O 3.24Å; D16-G37 WeakPolarHBondContact CA-O 3.21Å; K17-G37 PolarHBondContact N-O 2.71Å; G37-I39 PolarHBondContact O-N 3.18Å
38N89.3Confident94.1Very high113 Ų11370.8 Ų70.860%0.60437%0.366SS*.SBendtrans-89.198.3178-65.3-15000109.5K17K17-N38 PolarHBondContact N-OD1 3.16Å
39I94.7Very high94.3Very high19 Ų1964.6 Ų64.610%0.09735%0.346CS..  trans-77134.9179.8-53.5176.2000108.7L13 A15 Y34 N36 G37 T43 I44L13-I39 HydrophobicContact CD1-CD1 3.68Å; A15-I39 PolarHBondContact O-N 2.85Å; Y34-I39 HydrophobicContact CD1-CD1 3.99Å; Y34-I39 HydrophobicContact CE1-CD1 3.7Å; N36-I39 HydrophobicContact CB-CG1 4.39Å; G37-I39 PolarHBondContact O-N 3.18Å; I39-T43 HydrophobicContact CG2-CG2 3.87Å; I39-I44 HydrophobicContact CB-CD1 4.29Å; I39-I44 HydrophobicContact CB-CG1 4Å; I39-I44 HydrophobicContact CG2-CD1 4.44Å; I39-I44 HydrophobicContact CG2-CG1 3.67Å
40K94.5Very high94.5Very high164 Ų16465.8 Ų65.871%0.71335%0.354SS*.  trans-67.2145.8177-67.7-176.4178.4-178.40110.7D42 T43 I44K40-D42 VanDerWaalsContact C-N 3.34Å; K40-D42 PolarHBondContact O-N 3.43Å; K40-T43 WeakPolarHBondContact O-CB 3.3Å; K40-T43 PolarHBondContact O-N 3.43Å; K40-T43 VanDerWaalsContact O-N 3.11Å; K40-I44 WeakPolarHBondContact O-CG1 3.33Å; K40-I44 PolarHBondContact O-N 3.28Å
41R95.7Very high94.7Very high72 Ų7263.4 Ų63.427%0.27232%0.324SS..Hα-helixtrans-50.5-50-179.9179.3178.3173.589-0.5112.8T43 I44 L45 K61 D63 E65 M66R41-T43 VanDerWaalsContact C-N 3.29Å; R41-T43 PolarHBondContact O-N 3.07Å; R41-I44 WeakPolarHBondContact O-CA 3.41Å; R41-I44 WeakPolarHBondContact O-CB 3.38Å; R41-I44 PolarHBondContact O-N 3.27Å; R41-L45 HydrophobicContact CG-CD1 4.1Å; R41-L45 HydrophobicContact CG-CG 4.28Å; R41-L45 WeakPolarHBondContact O-CG 3.16Å; R41-L45 PolarHBondContact O-N 3.39Å; R41-K61 PolarHBondContact NH1-O 3.19Å; R41-D63 IonicContact CZ-OD1 3.16Å; R41-D63 IonicContact CZ-OD2 2.95Å; R41-D63 IonicContact NH1-OD1 2.74Å; R41-D63 PolarHBondContact NH1-OD1 2.81Å; R41-D63 IonicContact NH1-OD2 3.34Å; R41-D63 PolarHBondContact NH1-OD2 3.21Å; R41-D63 VanDerWaalsContact NH1-OD2 3.16Å; R41-D63 IonicContact NH2-OD1 3.35Å; R41-D63 PolarHBondContact NH2-OD1 2.79Å; R41-D63 IonicContact NH2-OD2 2.65Å; R41-D63 PolarHBondContact NH2-OD2 2.94Å; R41-E65 IonicContact CZ-OE2 3.72Å; R41-E65 IonicContact NE-OE2 3.89Å; R41-E65 IonicContact NH2-OE2 2.72Å; R41-E65 PolarHBondContact NH2-OE2 3.27Å; R41-M66 HydrophobicContact CG-CE 4.09Å
42D96.3Very high94.8Very high113 Ų11363.4 Ų63.460%0.60433%0.325SS*.Hα-helixtrans-58.8-43.2-178-56.6-20.3000111.3K40 I44 L45 D46K40-D42 VanDerWaalsContact C-N 3.34Å; K40-D42 PolarHBondContact O-N 3.43Å; D42-I44 VanDerWaalsContact C-N 3.31Å; D42-I44 PolarHBondContact O-N 3.06Å; D42-L45 PolarHBondContact O-N 3.41Å; D42-L45 VanDerWaalsContact O-N 3.16Å; D42-D46 PolarHBondContact O-N 3.07Å
43T96.4Very high94.9Very high64 Ų6458.3 Ų58.339%0.39330%0.301SS..Hα-helixtrans-62.7-37.2174.9-50.60000112.3I39 K40 R41 M47I39-T43 HydrophobicContact CG2-CG2 3.87Å; K40-T43 WeakPolarHBondContact O-CB 3.3Å; K40-T43 PolarHBondContact O-N 3.43Å; K40-T43 VanDerWaalsContact O-N 3.11Å; R41-T43 VanDerWaalsContact C-N 3.29Å; R41-T43 PolarHBondContact O-N 3.07Å; T43-M47 HydrophobicContact CG2-SD 4.18Å; T43-M47 WeakPolarHBondContact O-CG 3.44Å; T43-M47 PolarHBondContact O-N 3.45Å
44I97.2Very high95.1Very high0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-63.4-48.3173.8-63.1167.3000109.7L13 A15 I39 K40 R41 D42 D46 M47 I48 T60 M66L13-I44 HydrophobicContact CD2-CG2 3.96Å; A15-I44 HydrophobicContact CB-CD1 3.72Å; A15-I44 HydrophobicContact CB-CG1 4.5Å; I39-I44 HydrophobicContact CB-CD1 4.29Å; I39-I44 HydrophobicContact CB-CG1 4Å; I39-I44 HydrophobicContact CG2-CD1 4.44Å; I39-I44 HydrophobicContact CG2-CG1 3.67Å; K40-I44 WeakPolarHBondContact O-CG1 3.33Å; K40-I44 PolarHBondContact O-N 3.28Å; R41-I44 WeakPolarHBondContact O-CA 3.41Å; R41-I44 WeakPolarHBondContact O-CB 3.38Å; R41-I44 PolarHBondContact O-N 3.27Å; D42-I44 VanDerWaalsContact C-N 3.31Å; D42-I44 PolarHBondContact O-N 3.06Å; I44-D46 VanDerWaalsContact C-N 3.25Å; I44-D46 PolarHBondContact O-N 2.88Å; I44-M47 PolarHBondContact O-N 3.45Å; I44-I48 HydrophobicContact CG2-CB 4.29Å; I44-I48 HydrophobicContact CG2-CD1 3.97Å; I44-I48 WeakPolarHBondContact O-CB 3.35Å; I44-I48 WeakPolarHBondContact O-CG2 3.44Å; I44-I48 PolarHBondContact O-N 3.49Å; I44-T60 HydrophobicContact CD1-CG2 3.83Å; I44-M66 HydrophobicContact CB-CE 4.13Å; I44-M66 HydrophobicContact CD1-CE 4.31Å; I44-M66 HydrophobicContact CG2-CE 3.69Å; I44-M66 HydrophobicContact CG2-CG 4.34Å; I44-M66 HydrophobicContact CG2-SD 3.83Å
45L97.4Very high95.1Very high21 Ų2153 Ų5311%0.1128%0.278CS..Hα-helixtrans-59.6-35.7-179.1-66.6175.2000112.6R41 D42 E65 M66 K69R41-L45 HydrophobicContact CG-CD1 4.1Å; R41-L45 HydrophobicContact CG-CG 4.28Å; R41-L45 WeakPolarHBondContact O-CG 3.16Å; R41-L45 PolarHBondContact O-N 3.39Å; D42-L45 PolarHBondContact O-N 3.41Å; D42-L45 VanDerWaalsContact O-N 3.16Å; L45-E65 HydrophobicContact CD2-CG 4.31Å; L45-M66 HydrophobicContact CD2-CB 3.9Å; L45-M66 HydrophobicContact CD2-CE 4.49Å; L45-M66 HydrophobicContact CD2-CG 4.2Å; L45-K69 HydrophobicContact CD2-CG 4.16Å
46D96.4Very high95.3Very high133 Ų13351.1 Ų51.171%0.71126%0.264SS*.Hα-helixtrans-72.1-25.8179.7-70.7-21.8000113.7D42 I44D42-D46 PolarHBondContact O-N 3.07Å; I44-D46 VanDerWaalsContact C-N 3.25Å; I44-D46 PolarHBondContact O-N 2.88Å
47M96.5Very high95.5Very high33 Ų3347.6 Ų47.616%0.16324%0.242CC..Hα-helixtrans-115.8-18.6-171.473.7-169.6-70.900114.6L13 Y34 T43 I44 E49 D50 Y51L13-M47 HydrophobicContact CD1-CE 4Å; L13-M47 HydrophobicContact CD1-SD 4.25Å; L13-M47 HydrophobicContact CD2-CG 4.18Å; L13-M47 HydrophobicContact CD2-SD 4.49Å; Y34-M47 HydrophobicContact CD1-CE 3.45Å; Y34-M47 VanDerWaalsContact CD1-CE 3.45Å; Y34-M47 HydrophobicContact CE1-CE 3.38Å; Y34-M47 HydrophobicContact CE1-SD 4.11Å; Y34-M47 HydrophobicContact CE2-CE 4.47Å; Y34-M47 HydrophobicContact CG-CE 4.02Å; T43-M47 HydrophobicContact CG2-SD 4.18Å; T43-M47 WeakPolarHBondContact O-CG 3.44Å; T43-M47 PolarHBondContact O-N 3.45Å; I44-M47 PolarHBondContact O-N 3.45Å; M47-E49 PolarHBondContact O-N 3.43Å; M47-E49 VanDerWaalsContact O-N 3.1Å; M47-D50 PolarHBondContact O-N 3.08Å; M47-Y51 HydrophobicContact CB-CE2 4.22Å; M47-Y51 HydrophobicContact CE-CE2 3.56Å; M47-Y51 WeakPolarHBondContact CE-OH 3.49Å; M47-Y51 HydrophobicContact CG-CE2 4.01Å; M47-Y51 WeakPolarHBondContact O-CD2 3.36Å; M47-Y51 VanDerWaalsContact O-CE2 3.29Å; M47-Y51 WeakPolarHBondContact O-CE2 3.37Å
48I97.7Very high95.6Very high0 Ų050.1 Ų50.10%026%0.255CS..G310 helixtrans-63.3-20.8-169.3-165.8164.3000113.9L13 I44 D50 Y51 L54 M66 K69 L73L13-I48 HydrophobicContact CD2-CB 4.44Å; L13-I48 HydrophobicContact CD2-CG1 4.41Å; I44-I48 HydrophobicContact CG2-CB 4.29Å; I44-I48 HydrophobicContact CG2-CD1 3.97Å; I44-I48 WeakPolarHBondContact O-CB 3.35Å; I44-I48 WeakPolarHBondContact O-CG2 3.44Å; I44-I48 PolarHBondContact O-N 3.49Å; I48-D50 PolarHBondContact O-N 2.79Å; I48-Y51 PolarHBondContact O-N 2.98Å; I48-L54 HydrophobicContact CD1-CD1 4.09Å; I48-L54 HydrophobicContact CD1-CD2 3.93Å; I48-L54 HydrophobicContact CD1-CG 4.4Å; I48-M66 HydrophobicContact CD1-CG 3.85Å; I48-M66 HydrophobicContact CD1-SD 4.4Å; I48-K69 HydrophobicContact CG2-CB 3.69Å; I48-L73 HydrophobicContact CD1-CD1 3.78Å; I48-L73 HydrophobicContact CD1-CD2 4.46Å; I48-L73 HydrophobicContact CG1-CD1 4.01Å; I48-L73 HydrophobicContact CG1-CD2 4.15Å; I48-L73 HydrophobicContact CG1-CG 4.25Å
49E97.1Very high95.4Very high82 Ų8248.6 Ų48.638%0.38325%0.253SS..G310 helixtrans-62.4-22.917972.8176.9160.700113.7M47 K69 K71 R72M47-E49 PolarHBondContact O-N 3.43Å; M47-E49 VanDerWaalsContact O-N 3.1Å; E49-K69 WeakPolarHBondContact CA-O 3.36Å; E49-K69 VanDerWaalsContact CB-O 3.3Å; E49-K69 WeakPolarHBondContact CB-O 3.15Å; E49-K71 IonicContact OE2-NZ 2.74Å; E49-K71 PolarHBondContact OE2-NZ 2.97Å; E49-R72 WeakPolarHBondContact O-CB 3.34Å; E49-R72 WeakPolarHBondContact O-CD 3.38Å; E49-R72 WeakPolarHBondContact O-CG 3.49Å
50D96.1Very high95.3Very high84 Ų8448.1 Ų48.145%0.44925%0.251SS..G310 helixtrans-88.1-4-179.5-76.5-38.4000114.8M47 I48 R72M47-D50 PolarHBondContact O-N 3.08Å; I48-D50 PolarHBondContact O-N 2.79Å; D50-R72 PolarHBondContact O-NH1 2.75Å
51Y98Very high95.4Very high17 Ų1746.8 Ų46.87%0.06725%0.245CC..  trans-105141.1-173-67.6-90000112.2K11 V12 L13 Y34 M47 I48 R72 L73K11-Y51 HydrophobicContact CB-CD1 3.71Å; K11-Y51 HydrophobicContact CB-CE1 4.16Å; K11-Y51 HydrophobicContact CB-CG 4.44Å; V12-Y51 VanDerWaalsContact C-CD1 3.42Å; L13-Y51 HydrophobicContact CB-CD1 3.57Å; L13-Y51 HydrophobicContact CB-CD2 4.09Å; L13-Y51 HydrophobicContact CB-CE1 3.91Å; L13-Y51 HydrophobicContact CB-CE2 4.41Å; L13-Y51 HydrophobicContact CB-CG 3.66Å; L13-Y51 HydrophobicContact CD2-CD2 4.33Å; L13-Y51 HydrophobicContact CD2-CE2 4.49Å; L13-Y51 VanDerWaalsContact N-CD1 3.26Å; Y34-Y51 VanDerWaalsContact CB-OH 3.31Å; Y34-Y51 WeakPolarHBondContact CB-OH 3.44Å; M47-Y51 HydrophobicContact CB-CE2 4.22Å; M47-Y51 HydrophobicContact CE-CE2 3.56Å; M47-Y51 WeakPolarHBondContact CE-OH 3.49Å; M47-Y51 HydrophobicContact CG-CE2 4.01Å; M47-Y51 WeakPolarHBondContact O-CD2 3.36Å; M47-Y51 VanDerWaalsContact O-CE2 3.29Å; M47-Y51 WeakPolarHBondContact O-CE2 3.37Å; I48-Y51 PolarHBondContact O-N 2.98Å; Y51-R72 CarbonylContact O-C 3.52Å; Y51-R72 VanDerWaalsContact O-C 3.3Å; Y51-R72 WeakPolarHBondContact O-CB 3.47Å; Y51-L73 PolarHBondContact O-N 3.27Å
52D98Very high95.5Very high5 Ų543.4 Ų43.43%0.02723%0.233CC..SBendtrans-87.4-22.3176.7-55.8-65000111.6I9 R10 K11 R72 K74I9-D52 HydrophobicContact CB-CB 4.46Å; I9-D52 HydrophobicContact CG2-CB 4.08Å; R10-D52 WeakPolarHBondContact CA-OD2 3.32Å; R10-D52 WeakPolarHBondContact CB-OD2 3.5Å; R10-D52 PolarHBondContact N-OD2 3.02Å; K11-D52 PolarHBondContact N-OD2 3.13Å; K11-D52 PolarHBondContact O-N 3.33Å; D52-R72 IonicContact OD1-CZ 3.5Å; D52-R72 IonicContact OD1-NE 3.35Å; D52-R72 IonicContact OD1-NH2 3.02Å; D52-R72 PolarHBondContact OD1-NH2 3.41Å; D52-R72 IonicContact OD2-NH2 2.78Å; D52-R72 PolarHBondContact OD2-NH2 3.32Å; D52-K74 HydrophobicContact CB-CD 4.27Å; D52-K74 PolarHBondContact O-N 3.24Å
53A98Very high95.5Very high0 Ų039.8 Ų39.80%021%0.213CC..EExtended strand (participates in β ladder)trans-143.7147.3-178.700000112.3I9 K11 V12 L13 I75 L304I9-A53 HydrophobicContact CD1-CB 4.35Å; I9-A53 HydrophobicContact CG2-CB 4.12Å; K11-A53 PolarHBondContact O-N 3.41Å; V12-A53 WeakPolarHBondContact CA-O 3.29Å; V12-A53 HydrophobicContact CB-CB 4.46Å; V12-A53 HydrophobicContact CG1-CB 4.37Å; V12-A53 HydrophobicContact CG2-CB 3.92Å; L13-A53 PolarHBondContact N-O 2.64Å; A53-I75 VanDerWaalsContact CA-O 3.25Å; A53-I75 WeakPolarHBondContact CA-O 3.39Å; A53-I75 HydrophobicContact CB-CG2 3.51Å; A53-L304 HydrophobicContact CB-CD2 3.63Å
54L97.9Very high95.6Very high0 Ų041.7 Ų41.70%022%0.218CC..EExtended strand (participates in β ladder)trans-121.1131.5175.2178.270.4000109.8L13 A15 I48 V56 V62 M66 L73 I75 I76 I77L13-L54 HydrophobicContact CB-CD1 4.1Å; L13-L54 HydrophobicContact CD2-CD1 3.92Å; L13-L54 HydrophobicContact CG-CD1 3.91Å; L13-L54 CarbonylContact O-C 3.03Å; L13-L54 WeakPolarHBondContact O-CA 3.31Å; A15-L54 HydrophobicContact CB-CD1 4.2Å; I48-L54 HydrophobicContact CD1-CD1 4.09Å; I48-L54 HydrophobicContact CD1-CD2 3.93Å; I48-L54 HydrophobicContact CD1-CG 4.4Å; L54-V56 HydrophobicContact CD1-CG1 4.17Å; L54-V56 HydrophobicContact CD2-CG1 3.83Å; L54-V56 HydrophobicContact CG-CG1 3.82Å; L54-V62 HydrophobicContact CD2-CG1 3.98Å; L54-V62 HydrophobicContact CD2-CG2 3.79Å; L54-M66 HydrophobicContact CD2-SD 4.12Å; L54-L73 HydrophobicContact CB-CD2 3.96Å; L54-I75 PolarHBondContact N-O 3.45Å; L54-I76 HydrophobicContact CB-CG1 4.26Å; L54-I76 HydrophobicContact CD2-CG1 4.49Å; L54-I76 HydrophobicContact CD2-CG2 4.26Å; L54-I76 CarbonylContact O-C 3.57Å; L54-I76 WeakPolarHBondContact O-CA 3.22Å; L54-I77 PolarHBondContact O-N 3.5Å
55V96.6Very high95.6Very high2 Ų246.4 Ų46.41%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-116.8123.8173.5-179.80000109.3V12 L13 V14 A15 L18 I77 A79 I300 L304V12-V55 HydrophobicContact CG1-CG2 3.78Å; L13-V55 PolarHBondContact O-N 2.86Å; V14-V55 HydrophobicContact CB-CB 4.48Å; V14-V55 HydrophobicContact CG1-CB 4.33Å; V14-V55 HydrophobicContact CG1-CG1 4.34Å; V14-V55 HydrophobicContact CG2-CB 4.18Å; V14-V55 HydrophobicContact CG2-CG2 4.43Å; A15-V55 PolarHBondContact N-O 2.92Å; L18-V55 HydrophobicContact CD2-CG1 4.49Å; V55-I77 WeakPolarHBondContact CA-O 3.29Å; V55-I77 HydrophobicContact CG2-CB 4.37Å; V55-A79 HydrophobicContact CG1-CB 4.41Å; V55-I300 HydrophobicContact CG1-CD1 3.91Å; V55-I300 HydrophobicContact CG1-CG1 4.49Å; V55-I300 HydrophobicContact CG1-CG2 4.07Å; V55-I300 HydrophobicContact CG2-CG2 3.83Å; V55-L304 HydrophobicContact CG2-CD1 4.37Å
56V95.2Very high95.7Very high1 Ų145.4 Ų45.41%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-130.1158.1-176.9-62.90000113A15 L54 T60 V62 I77 A79 I86A15-V56 HydrophobicContact CB-CG1 3.98Å; L54-V56 HydrophobicContact CD1-CG1 4.17Å; L54-V56 HydrophobicContact CD2-CG1 3.83Å; L54-V56 HydrophobicContact CG-CG1 3.82Å; V56-T60 HydrophobicContact CB-CG2 4.5Å; V56-T60 HydrophobicContact CG1-CG2 3.71Å; V56-V62 HydrophobicContact CB-CG2 4.31Å; V56-V62 HydrophobicContact CG1-CG2 3.64Å; V56-V62 HydrophobicContact CG2-CG2 3.97Å; V56-I77 PolarHBondContact N-O 3.5Å; V56-A79 VanDerWaalsContact O-CB 3.32Å; V56-A79 WeakPolarHBondContact O-CB 3.41Å; V56-A79 PolarHBondContact O-N 3Å; V56-I86 HydrophobicContact CG2-CD1 3.9Å; V56-I86 HydrophobicContact CG2-CG1 4.2Å
57R91.8Very high95.8Very high50 Ų5039.1 Ų39.119%0.18920%0.201CC..  trans-111.6-162.1165.9-70.5-175.4169.3-137.3-8.3109.8D16 K17 S59 A79 N85D16-R57 HydrophobicContact CB-CB 3.69Å; D16-R57 HydrophobicContact CB-CG 3.91Å; D16-R57 WeakPolarHBondContact OD2-CA 3.37Å; D16-R57 PolarHBondContact OD2-N 3.39Å; K17-R57 VanDerWaalsContact O-CD 3.28Å; K17-R57 WeakPolarHBondContact O-CD 3.27Å; K17-R57 VanDerWaalsContact O-CZ 3.24Å; K17-R57 PolarHBondContact O-NE 3.08Å; R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 PolarHBondContact O-N 2.99Å; R57-A79 HydrophobicContact CG-CB 3.76Å; R57-N85 PolarHBondContact O-ND2 3Å
58S85.8Confident95.8Very high79 Ų7939.8 Ų39.855%0.55221%0.209SC*.SBendtrans-68.2-25.9-178.1-46.10000113.5R78S58-R78 PolarHBondContact OG-NH2 3.37Å
59S86.6Confident95.8Very high81 Ų8144.7 Ų44.757%0.56623%0.23SC*.SBendtrans-74.1-27.7-174.335.30000114D16 R57D16-S59 PolarHBondContact OD1-OG 3.05Å; R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 PolarHBondContact O-N 2.99Å
60T93.1Very high95.8Very high9 Ų941 Ų416%0.05521%0.214CC..SBendtrans-97113.7180-63.40000110.6A15 D16 I44 V56 V62 M66 N85A15-T60 HydrophobicContact CB-CG2 4.14Å; D16-T60 VanDerWaalsContact CG-OG1 3.26Å; D16-T60 PolarHBondContact OD1-OG1 3.46Å; D16-T60 WeakPolarHBondContact OD2-CB 3.33Å; D16-T60 PolarHBondContact OD2-OG1 3.31Å; D16-T60 VanDerWaalsContact OD2-OG1 3.11Å; I44-T60 HydrophobicContact CD1-CG2 3.83Å; V56-T60 HydrophobicContact CB-CG2 4.5Å; V56-T60 HydrophobicContact CG1-CG2 3.71Å; T60-V62 HydrophobicContact CG2-CG2 4.21Å; T60-M66 HydrophobicContact CG2-CE 4.06Å; T60-M66 HydrophobicContact CG2-SD 4.12Å; T60-N85 PolarHBondContact O-ND2 2.79Å
61K94.9Very high95.7Very high137 Ų13744.6 Ų44.660%0.59623%0.226SC*.  trans-80.7120.4169.6-172.5178.5-177.7-177.40110.1R41 D63R41-K61 PolarHBondContact NH1-O 3.19Å; K61-D63 HydrophobicContact CG-CB 4.48Å
62V97.6Very high95.6Very high1 Ų148.2 Ų48.21%0.00624%0.239CC..BIsolated β-bridgetrans-105.481.6178.9-171.90000108.4L54 V56 T60 M66 I67 I76 N85 I86 D87L54-V62 HydrophobicContact CD2-CG1 3.98Å; L54-V62 HydrophobicContact CD2-CG2 3.79Å; V56-V62 HydrophobicContact CB-CG2 4.31Å; V56-V62 HydrophobicContact CG1-CG2 3.64Å; V56-V62 HydrophobicContact CG2-CG2 3.97Å; T60-V62 HydrophobicContact CG2-CG2 4.21Å; V62-M66 HydrophobicContact CB-SD 4.28Å; V62-M66 HydrophobicContact CG1-CG 4.44Å; V62-M66 HydrophobicContact CG1-SD 4.18Å; V62-M66 HydrophobicContact CG2-SD 3.99Å; V62-I67 HydrophobicContact CG1-CD1 4.27Å; V62-I67 HydrophobicContact CG1-CG1 3.78Å; V62-I76 HydrophobicContact CG1-CD1 3.99Å; V62-I76 HydrophobicContact CG1-CG2 4.5Å; V62-N85 PolarHBondContact N-O 3.12Å; V62-I86 HydrophobicContact CB-CB 4.44Å; V62-I86 HydrophobicContact CB-CG1 4.13Å; V62-I86 HydrophobicContact CB-CG2 4.34Å; V62-I86 HydrophobicContact CG1-CG2 4.45Å; V62-I86 HydrophobicContact CG2-CG1 4.25Å; V62-I86 CarbonylContact O-C 3.3Å; V62-I86 WeakPolarHBondContact O-CA 3.32Å; V62-D87 PolarHBondContact O-N 2.73Å
63D97.7Very high95.6Very high36 Ų3648.6 Ų48.619%0.19324%0.241CC..  trans-93.4-179.1178.852.815.5000112.1R41 K61 E65 M66 I67R41-D63 IonicContact CZ-OD1 3.16Å; R41-D63 IonicContact CZ-OD2 2.95Å; R41-D63 IonicContact NH1-OD1 2.74Å; R41-D63 PolarHBondContact NH1-OD1 2.81Å; R41-D63 IonicContact NH1-OD2 3.34Å; R41-D63 PolarHBondContact NH1-OD2 3.21Å; R41-D63 VanDerWaalsContact NH1-OD2 3.16Å; R41-D63 IonicContact NH2-OD1 3.35Å; R41-D63 PolarHBondContact NH2-OD1 2.79Å; R41-D63 IonicContact NH2-OD2 2.65Å; R41-D63 PolarHBondContact NH2-OD2 2.94Å; K61-D63 HydrophobicContact CG-CB 4.48Å; D63-E65 VanDerWaalsContact C-N 3.25Å; D63-E65 PolarHBondContact O-N 3.32Å; D63-M66 PolarHBondContact O-N 3.07Å; D63-M66 PolarHBondContact OD1-N 2.92Å; D63-I67 WeakPolarHBondContact O-CB 3.32Å; D63-I67 VanDerWaalsContact O-CG1 3.31Å; D63-I67 WeakPolarHBondContact O-CG1 3.31Å; D63-I67 PolarHBondContact O-N 3.49Å
64E97.8Very high95.5Very high105 Ų10550.5 Ų50.549%0.49125%0.249SC..Hα-helixtrans-51.6-41.7178.6177174.4-16700113.2I67 S68 E90E64-I67 PolarHBondContact O-N 2.93Å; E64-S68 VanDerWaalsContact O-CB 3.25Å; E64-S68 WeakPolarHBondContact O-CB 3.5Å; E64-S68 PolarHBondContact O-N 3.42Å; E64-S68 PolarHBondContact O-OG 3.03Å; E64-E90 HydrophobicContact CB-CG 4.01Å; E64-E90 HydrophobicContact CG-CG 3.94Å
65E98.1Very high95.5Very high98 Ų9850.5 Ų50.546%0.45825%0.249SC..Hα-helixtrans-60-52178.9-179-175.3-156.800111.1R41 L45 D63 I67 S68 K69R41-E65 IonicContact CZ-OE2 3.72Å; R41-E65 IonicContact NE-OE2 3.89Å; R41-E65 IonicContact NH2-OE2 2.72Å; R41-E65 PolarHBondContact NH2-OE2 3.27Å; L45-E65 HydrophobicContact CD2-CG 4.31Å; D63-E65 VanDerWaalsContact C-N 3.25Å; D63-E65 PolarHBondContact O-N 3.32Å; E65-I67 VanDerWaalsContact C-N 3.34Å; E65-I67 PolarHBondContact O-N 2.96Å; E65-S68 PolarHBondContact O-N 3Å; E65-S68 PolarHBondContact O-OG 3.47Å; E65-K69 WeakPolarHBondContact O-CG 3.37Å; E65-K69 PolarHBondContact O-N 3.2Å
66M98.2Very high95.6Very high0 Ų050.4 Ų50.40%025%0.249CC..Hα-helixtrans-62.5-42.9180-176.5173.5-6800111.9R41 I44 L45 I48 L54 T60 V62 D63 S68 K69 G70R41-M66 HydrophobicContact CG-CE 4.09Å; I44-M66 HydrophobicContact CB-CE 4.13Å; I44-M66 HydrophobicContact CD1-CE 4.31Å; I44-M66 HydrophobicContact CG2-CE 3.69Å; I44-M66 HydrophobicContact CG2-CG 4.34Å; I44-M66 HydrophobicContact CG2-SD 3.83Å; L45-M66 HydrophobicContact CD2-CB 3.9Å; L45-M66 HydrophobicContact CD2-CE 4.49Å; L45-M66 HydrophobicContact CD2-CG 4.2Å; I48-M66 HydrophobicContact CD1-CG 3.85Å; I48-M66 HydrophobicContact CD1-SD 4.4Å; L54-M66 HydrophobicContact CD2-SD 4.12Å; T60-M66 HydrophobicContact CG2-CE 4.06Å; T60-M66 HydrophobicContact CG2-SD 4.12Å; V62-M66 HydrophobicContact CB-SD 4.28Å; V62-M66 HydrophobicContact CG1-CG 4.44Å; V62-M66 HydrophobicContact CG1-SD 4.18Å; V62-M66 HydrophobicContact CG2-SD 3.99Å; D63-M66 PolarHBondContact O-N 3.07Å; D63-M66 PolarHBondContact OD1-N 2.92Å; M66-S68 VanDerWaalsContact C-N 3.29Å; M66-S68 PolarHBondContact O-N 3.4Å; M66-K69 PolarHBondContact O-N 3.06Å; M66-G70 PolarHBondContact O-N 3.37Å
67I98.3Very high95.7Very high2 Ų250.4 Ų50.41%0.0125%0.249CC..Hα-helixtrans-61.1-40.8176.6-70.1167.2000110.7V62 D63 E64 E65 K69 G70 I76 D87 E90 A91 I96V62-I67 HydrophobicContact CG1-CD1 4.27Å; V62-I67 HydrophobicContact CG1-CG1 3.78Å; D63-I67 WeakPolarHBondContact O-CB 3.32Å; D63-I67 VanDerWaalsContact O-CG1 3.31Å; D63-I67 WeakPolarHBondContact O-CG1 3.31Å; D63-I67 PolarHBondContact O-N 3.49Å; E64-I67 PolarHBondContact O-N 2.93Å; E65-I67 VanDerWaalsContact C-N 3.34Å; E65-I67 PolarHBondContact O-N 2.96Å; I67-K69 VanDerWaalsContact C-N 3.32Å; I67-K69 PolarHBondContact O-N 3Å; I67-G70 PolarHBondContact O-N 3.47Å; I67-I76 HydrophobicContact CG1-CD1 4.14Å; I67-D87 HydrophobicContact CD1-CB 3.94Å; I67-D87 WeakPolarHBondContact CD1-O 3.49Å; I67-E90 HydrophobicContact CB-CG 4.4Å; I67-E90 HydrophobicContact CD1-CB 4.16Å; I67-E90 HydrophobicContact CD1-CG 4.16Å; I67-E90 HydrophobicContact CG2-CG 4.04Å; I67-A91 HydrophobicContact CD1-CB 4.08Å; I67-I96 HydrophobicContact CG2-CD1 3.84Å
68S97.3Very high95.9Very high46 Ų4648.9 Ų48.932%0.32224%0.243SC..Hα-helixtrans-66.8-31.4-178.9790000113.8E64 E65 M66E64-S68 VanDerWaalsContact O-CB 3.25Å; E64-S68 WeakPolarHBondContact O-CB 3.5Å; E64-S68 PolarHBondContact O-N 3.42Å; E64-S68 PolarHBondContact O-OG 3.03Å; E65-S68 PolarHBondContact O-N 3Å; E65-S68 PolarHBondContact O-OG 3.47Å; M66-S68 VanDerWaalsContact C-N 3.29Å; M66-S68 PolarHBondContact O-N 3.4Å
69K97.6Very high96.1Very high103 Ų10345.5 Ų45.545%0.44822%0.22SC..Hα-helixtrans-74.4-29.8176.3-68.1-71.2-175.6167.90112.3L45 I48 E49 E65 M66 I67 K71L45-K69 HydrophobicContact CD2-CG 4.16Å; I48-K69 HydrophobicContact CG2-CB 3.69Å; E49-K69 WeakPolarHBondContact CA-O 3.36Å; E49-K69 VanDerWaalsContact CB-O 3.3Å; E49-K69 WeakPolarHBondContact CB-O 3.15Å; E65-K69 WeakPolarHBondContact O-CG 3.37Å; E65-K69 PolarHBondContact O-N 3.2Å; M66-K69 PolarHBondContact O-N 3.06Å; I67-K69 VanDerWaalsContact C-N 3.32Å; I67-K69 PolarHBondContact O-N 3Å; K69-K71 PolarHBondContact O-N 3.48Å
70G96.8Very high96.2Very high5 Ų541.8 Ų41.85%0.05219%0.194CC..  trans-73.963.4179.400000114.3M66 I67 R72 L73M66-G70 PolarHBondContact O-N 3.37Å; I67-G70 PolarHBondContact O-N 3.47Å; G70-R72 PolarHBondContact O-N 2.82Å; G70-L73 WeakPolarHBondContact O-CB 3.28Å; G70-L73 PolarHBondContact O-N 3.12Å
71K94.1Very high95.9Very high159 Ų15944.4 Ų44.469%0.69121%0.21SC*.THydrogen-bonded Turntrans-57-26.3-175.1-63.8174.8-169.9148.20114.5E49 K69E49-K71 IonicContact OE2-NZ 2.74Å; E49-K71 PolarHBondContact OE2-NZ 2.97Å; K69-K71 PolarHBondContact O-N 3.48Å
72R96.1Very high95.4Very high93 Ų9338.3 Ų38.335%0.35119%0.187SC..THydrogen-bonded Turntrans-101.1-4.6178.3-71-179.358.7-154-12.7113.9E49 D50 Y51 D52 G70 K74E49-R72 WeakPolarHBondContact O-CB 3.34Å; E49-R72 WeakPolarHBondContact O-CD 3.38Å; E49-R72 WeakPolarHBondContact O-CG 3.49Å; D50-R72 PolarHBondContact O-NH1 2.75Å; Y51-R72 CarbonylContact O-C 3.52Å; Y51-R72 VanDerWaalsContact O-C 3.3Å; Y51-R72 WeakPolarHBondContact O-CB 3.47Å; D52-R72 IonicContact OD1-CZ 3.5Å; D52-R72 IonicContact OD1-NE 3.35Å; D52-R72 IonicContact OD1-NH2 3.02Å; D52-R72 PolarHBondContact OD1-NH2 3.41Å; D52-R72 IonicContact OD2-NH2 2.78Å; D52-R72 PolarHBondContact OD2-NH2 3.32Å; G70-R72 PolarHBondContact O-N 2.82Å; R72-K74 PolarHBondContact O-N 3.36Å
73L97.8Very high94.9Very high13 Ų1341.6 Ų41.67%0.06820%0.203CC..  trans-61.1132.8-177.4-71.4178.7000110.6I48 Y51 L54 G70 I96I48-L73 HydrophobicContact CD1-CD1 3.78Å; I48-L73 HydrophobicContact CD1-CD2 4.46Å; I48-L73 HydrophobicContact CG1-CD1 4.01Å; I48-L73 HydrophobicContact CG1-CD2 4.15Å; I48-L73 HydrophobicContact CG1-CG 4.25Å; Y51-L73 PolarHBondContact O-N 3.27Å; L54-L73 HydrophobicContact CB-CD2 3.96Å; G70-L73 WeakPolarHBondContact O-CB 3.28Å; G70-L73 PolarHBondContact O-N 3.12Å; L73-I96 HydrophobicContact CB-CD1 3.98Å; L73-I96 HydrophobicContact CB-CG1 4.46Å; L73-I96 HydrophobicContact CB-CG2 4.49Å
74K97.3Very high94.5Very high40 Ų4044.9 Ų44.917%0.17422%0.221CC..  trans-118.7-30.6177.4-63.8163-179.7-161.80111.5N5 S6 R8 D52 R72 K97 F307N5-K74 PolarHBondContact O-NZ 2.84Å; S6-K74 WeakPolarHBondContact O-CD 3.25Å; S6-K74 WeakPolarHBondContact O-CE 3.36Å; S6-K74 PolarHBondContact O-NZ 3.46Å; R8-K74 PolarHBondContact O-NZ 3Å; D52-K74 HydrophobicContact CB-CD 4.27Å; D52-K74 PolarHBondContact O-N 3.24Å; R72-K74 PolarHBondContact O-N 3.36Å; K74-K97 PolarHBondContact O-N 3.36Å; K74-F307 HydrophobicContact CB-CE1 3.73Å; K74-F307 HydrophobicContact CB-CZ 3.85Å; K74-F307 HydrophobicContact CD-CE1 4.46Å
75I97.8Very high94.2Very high0 Ų041 Ų410%020%0.203CC..EExtended strand (participates in β ladder)trans-143.9137.1-179.6-171170.7000111.4I9 A53 L54 I77 K97 E99 L304 F307I9-I75 HydrophobicContact CD1-CG2 3.82Å; A53-I75 VanDerWaalsContact CA-O 3.25Å; A53-I75 WeakPolarHBondContact CA-O 3.39Å; A53-I75 HydrophobicContact CB-CG2 3.51Å; L54-I75 PolarHBondContact N-O 3.45Å; I75-I77 HydrophobicContact CD1-CD1 3.95Å; I75-I77 HydrophobicContact CD1-CG1 3.87Å; I75-I77 HydrophobicContact CG1-CD1 4.36Å; I75-I77 HydrophobicContact CG1-CG1 3.81Å; I75-K97 CarbonylContact C-O 3.49Å; I75-K97 VanDerWaalsContact CA-O 3.23Å; I75-K97 WeakPolarHBondContact CA-O 3.2Å; I75-K97 HydrophobicContact CB-CB 4.41Å; I75-K97 HydrophobicContact CD1-CD 4.34Å; I75-K97 HydrophobicContact CG1-CB 4.17Å; I75-E99 HydrophobicContact CD1-CG 4.21Å; I75-L304 HydrophobicContact CG2-CD2 4Å; I75-F307 HydrophobicContact CB-CD2 4.46Å; I75-F307 HydrophobicContact CB-CE2 4.4Å; I75-F307 HydrophobicContact CB-CZ 4.44Å; I75-F307 HydrophobicContact CD1-CB 4.16Å; I75-F307 HydrophobicContact CD1-CD2 3.92Å; I75-F307 HydrophobicContact CD1-CG 4.08Å; I75-F307 HydrophobicContact CG2-CD1 4.41Å
76I98.2Very high94.1Very high0 Ų036.9 Ų36.90%018%0.184CC..EExtended strand (participates in β ladder)trans-115.1127.1168.3-60.1159.7000106.9L54 V62 I67 I86 A91 I96 K97 V98 E99L54-I76 HydrophobicContact CB-CG1 4.26Å; L54-I76 HydrophobicContact CD2-CG1 4.49Å; L54-I76 HydrophobicContact CD2-CG2 4.26Å; L54-I76 CarbonylContact O-C 3.57Å; L54-I76 WeakPolarHBondContact O-CA 3.22Å; V62-I76 HydrophobicContact CG1-CD1 3.99Å; V62-I76 HydrophobicContact CG1-CG2 4.5Å; I67-I76 HydrophobicContact CG1-CD1 4.14Å; I76-I86 HydrophobicContact CG2-CD1 3.89Å; I76-I86 HydrophobicContact CG2-CG2 4.41Å; I76-A91 HydrophobicContact CD1-CB 4.13Å; I76-I96 HydrophobicContact CD1-CG2 3.8Å; I76-I96 HydrophobicContact CG1-CG2 3.84Å; I76-K97 PolarHBondContact N-O 2.79Å; I76-V98 WeakPolarHBondContact O-CA 3.41Å; I76-E99 PolarHBondContact O-N 2.94Å
77I97Very high94.1Very high1 Ų139.6 Ų39.61%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-117.8124-179.6-50.8179.4000110L54 V55 V56 I75 E99 I300 A303 L304L54-I77 PolarHBondContact O-N 3.5Å; V55-I77 WeakPolarHBondContact CA-O 3.29Å; V55-I77 HydrophobicContact CG2-CB 4.37Å; V56-I77 PolarHBondContact N-O 3.5Å; I75-I77 HydrophobicContact CD1-CD1 3.95Å; I75-I77 HydrophobicContact CD1-CG1 3.87Å; I75-I77 HydrophobicContact CG1-CD1 4.36Å; I75-I77 HydrophobicContact CG1-CG1 3.81Å; I77-E99 CarbonylContact C-O 3.58Å; I77-E99 WeakPolarHBondContact CA-O 3.29Å; I77-E99 HydrophobicContact CG1-CB 4.45Å; I77-I300 HydrophobicContact CD1-CG2 4.33Å; I77-I300 HydrophobicContact CG2-CG1 3.88Å; I77-I300 HydrophobicContact CG2-CG2 4.47Å; I77-A303 HydrophobicContact CD1-CB 3.83Å; I77-L304 HydrophobicContact CD1-CD1 4.41Å; I77-L304 HydrophobicContact CD1-CD2 3.55Å; I77-L304 HydrophobicContact CD1-CG 3.54Å
78R95Very high94Very high19 Ų1941.8 Ų41.87%0.07221%0.212CC..EExtended strand (participates in β ladder)trans-86.2116.3171.4-173.954.3-178.7824.9110.6S58 G80 G82 N85 I86 E99 N100 T101S58-R78 PolarHBondContact OG-NH2 3.37Å; R78-G80 PolarHBondContact O-N 3.33Å; R78-G80 VanDerWaalsContact O-O 3.1Å; R78-G82 WeakPolarHBondContact CG-O 3.41Å; R78-G82 PolarHBondContact NE-O 3.25Å; R78-N85 WeakPolarHBondContact CD-OD1 3.31Å; R78-N85 PolarHBondContact NE-OD1 3.37Å; R78-I86 HydrophobicContact CB-CD1 3.77Å; R78-I86 HydrophobicContact CG-CD1 4.31Å; R78-E99 PolarHBondContact N-O 3.09Å; R78-N100 HydrophobicContact CB-CB 4.11Å; R78-N100 WeakPolarHBondContact O-CA 3.21Å; R78-T101 PolarHBondContact O-N 3.04Å; R78-T101 PolarHBondContact O-OG1 2.91Å
79A91.6Very high94Very high7 Ų745.8 Ų45.86%0.05823%0.23CC..SBendtrans-74.354.3172.900000111.9L18 V55 V56 R57 V296 I300L18-A79 HydrophobicContact CD1-CB 4.07Å; V55-A79 HydrophobicContact CG1-CB 4.41Å; V56-A79 VanDerWaalsContact O-CB 3.32Å; V56-A79 WeakPolarHBondContact O-CB 3.41Å; V56-A79 PolarHBondContact O-N 3Å; R57-A79 HydrophobicContact CG-CB 3.76Å; A79-V296 HydrophobicContact CB-CG1 3.67Å; A79-I300 HydrophobicContact CB-CD1 3.53Å
80G88.5Confident94Very high3 Ų341.6 Ų41.63%0.03121%0.212CC..SBendtrans176.3-174.6176.400000109.8R78 N100 T101R78-G80 PolarHBondContact O-N 3.33Å; R78-G80 VanDerWaalsContact O-O 3.1Å; G80-N100 WeakPolarHBondContact O-CB 3.42Å; G80-T101 VanDerWaalsContact CA-OG1 3.3Å; G80-T101 WeakPolarHBondContact CA-OG1 3.44Å; G80-T101 PolarHBondContact N-OG1 3.04Å; G80-T101 PolarHBondContact O-N 2.85Å; G80-T101 PolarHBondContact O-OG1 3.47Å
81T85.5Confident94Very high64 Ų6441.3 Ų41.339%0.39321%0.209SC..SBendtrans-89.3-40.5-176.6-48.40000112.4N100 T101 P102T81-N100 PolarHBondContact O-ND2 3.28Å; T81-T101 PolarHBondContact OG1-O 2.87Å; T81-P102 HydrophobicContact CG2-CB 4.35Å
82G84.4Confident94.1Very high10 Ų1043.3 Ų43.310%0.10321%0.212CC..  trans-71.6134.7178.400000113.5R78R78-G82 WeakPolarHBondContact CG-O 3.41Å; R78-G82 PolarHBondContact NE-O 3.25Å
83M88.9Confident94.2Very high69 Ų6946.7 Ų46.734%0.3423%0.225SC..  trans-107.416.5177.4-63-173.5-66.500113N85 I86 V88 V98 N100M83-N85 PolarHBondContact O-N 3.44Å; M83-N85 VanDerWaalsContact O-N 3.09Å; M83-I86 PolarHBondContact O-N 3.42Å; M83-V88 HydrophobicContact CB-CG2 4.18Å; M83-V88 HydrophobicContact SD-CG2 4.41Å; M83-V98 HydrophobicContact SD-CG1 4.01Å; M83-N100 HydrophobicContact CG-CB 3.95Å; M83-N100 HydrophobicContact SD-CB 4.09Å
84D87.7Confident94.1Very high106 Ų10651.2 Ų51.257%0.56724%0.241SC*.THydrogen-bonded Turntrans-60.8-24.9-171.4-44.9-67.7000113.2R237D84-R237 IonicContact OD1-NE 2.76Å; D84-R237 IonicContact OD2-CZ 2.87Å; D84-R237 VanDerWaalsContact OD2-CZ 3.27Å; D84-R237 IonicContact OD2-NE 3.04Å; D84-R237 PolarHBondContact OD2-NE 2.89Å; D84-R237 IonicContact OD2-NH2 2.63Å; D84-R237 PolarHBondContact OD2-NH2 3.48Å
85N92.2Very high94Very high23 Ų2352.5 Ų52.512%0.12327%0.266CS..THydrogen-bonded Turntrans-91.69.2178.766.7-69.3000114.1R57 T60 V62 R78 M83R57-N85 PolarHBondContact O-ND2 3Å; T60-N85 PolarHBondContact O-ND2 2.79Å; V62-N85 PolarHBondContact N-O 3.12Å; R78-N85 WeakPolarHBondContact CD-OD1 3.31Å; R78-N85 PolarHBondContact NE-OD1 3.37Å; M83-N85 PolarHBondContact O-N 3.44Å; M83-N85 VanDerWaalsContact O-N 3.09Å
86I96.8Very high94Very high11 Ų1153 Ų536%0.05627%0.269CS..BIsolated β-bridgetrans-125.3128.8180-56.7172.6000109.3V56 V62 I76 R78 M83 V88 V98V56-I86 HydrophobicContact CG2-CD1 3.9Å; V56-I86 HydrophobicContact CG2-CG1 4.2Å; V62-I86 HydrophobicContact CB-CB 4.44Å; V62-I86 HydrophobicContact CB-CG1 4.13Å; V62-I86 HydrophobicContact CB-CG2 4.34Å; V62-I86 HydrophobicContact CG1-CG2 4.45Å; V62-I86 HydrophobicContact CG2-CG1 4.25Å; V62-I86 CarbonylContact O-C 3.3Å; V62-I86 WeakPolarHBondContact O-CA 3.32Å; I76-I86 HydrophobicContact CG2-CD1 3.89Å; I76-I86 HydrophobicContact CG2-CG2 4.41Å; R78-I86 HydrophobicContact CB-CD1 3.77Å; R78-I86 HydrophobicContact CG-CD1 4.31Å; M83-I86 PolarHBondContact O-N 3.42Å; I86-V88 VanDerWaalsContact C-N 3.27Å; I86-V88 HydrophobicContact CB-CG2 4.47Å; I86-V88 HydrophobicContact CG2-CG2 4.36Å; I86-V88 PolarHBondContact O-N 3.44Å; I86-V98 HydrophobicContact CD1-CG1 4.22Å; I86-V98 HydrophobicContact CG2-CG1 4.11Å; I86-V98 HydrophobicContact CG2-CG2 4.43Å
87D97Very high93.9Very high58 Ų5857.8 Ų57.831%0.3129%0.289SS..  trans-74.383.4167.9-169-21.3000110.4V62 I67 N89 E90 A91V62-D87 PolarHBondContact O-N 2.73Å; I67-D87 HydrophobicContact CD1-CB 3.94Å; I67-D87 WeakPolarHBondContact CD1-O 3.49Å; D87-N89 VanDerWaalsContact C-N 3.25Å; D87-N89 PolarHBondContact O-N 2.84Å; D87-N89 PolarHBondContact OD1-N 2.84Å; D87-E90 HydrophobicContact CB-CB 4.09Å; D87-E90 PolarHBondContact O-N 3.4Å; D87-E90 WeakPolarHBondContact OD1-CB 3.09Å; D87-E90 PolarHBondContact OD1-N 3.41Å; D87-E90 WeakPolarHBondContact OD2-CB 3.43Å; D87-A91 WeakPolarHBondContact O-CB 3.44Å; D87-A91 PolarHBondContact O-N 3.37Å
88V96.6Very high94Very high48 Ų4859.2 Ų59.229%0.29130%0.298SS..Hα-helixtrans-62.2-34.9-177.2-178.20000111.6M83 I86 R92 V98M83-V88 HydrophobicContact CB-CG2 4.18Å; M83-V88 HydrophobicContact SD-CG2 4.41Å; I86-V88 VanDerWaalsContact C-N 3.27Å; I86-V88 HydrophobicContact CB-CG2 4.47Å; I86-V88 HydrophobicContact CG2-CG2 4.36Å; I86-V88 PolarHBondContact O-N 3.44Å; V88-R92 VanDerWaalsContact O-CB 3.23Å; V88-R92 WeakPolarHBondContact O-CB 3.49Å; V88-R92 PolarHBondContact O-N 3.28Å; V88-V98 HydrophobicContact CG1-CB 4.39Å; V88-V98 HydrophobicContact CG1-CG2 4.42Å; V88-V98 HydrophobicContact CG2-CG1 4.28Å
89N96.5Very high94Very high130 Ų13060.4 Ų60.470%0.69530%0.304SS*.Hα-helixtrans-68.5-45.4-178.7-71.6-33.7000110.7D87 R92 R93D87-N89 VanDerWaalsContact C-N 3.25Å; D87-N89 PolarHBondContact O-N 2.84Å; D87-N89 PolarHBondContact OD1-N 2.84Å; N89-R92 PolarHBondContact O-N 2.88Å; N89-R93 WeakPolarHBondContact O-CB 3.45Å; N89-R93 PolarHBondContact O-N 3.41Å
90E97.9Very high94.2Very high14 Ų1462.3 Ų62.37%0.06531%0.313CS..Hα-helixtrans-66.9-43.2177.8179.358.4-171.100112.1E64 I67 D87 R92 R93 R94E64-E90 HydrophobicContact CB-CG 4.01Å; E64-E90 HydrophobicContact CG-CG 3.94Å; I67-E90 HydrophobicContact CB-CG 4.4Å; I67-E90 HydrophobicContact CD1-CB 4.16Å; I67-E90 HydrophobicContact CD1-CG 4.16Å; I67-E90 HydrophobicContact CG2-CG 4.04Å; D87-E90 HydrophobicContact CB-CB 4.09Å; D87-E90 PolarHBondContact O-N 3.4Å; D87-E90 WeakPolarHBondContact OD1-CB 3.09Å; D87-E90 PolarHBondContact OD1-N 3.41Å; D87-E90 WeakPolarHBondContact OD2-CB 3.43Å; E90-R92 VanDerWaalsContact C-N 3.32Å; E90-R92 PolarHBondContact O-N 3.44Å; E90-R93 VanDerWaalsContact CD-NH2 3.28Å; E90-R93 PolarHBondContact O-N 3.07Å; E90-R93 IonicContact OE1-CZ 3.7Å; E90-R93 IonicContact OE1-NE 3.87Å; E90-R93 IonicContact OE1-NH2 2.73Å; E90-R93 PolarHBondContact OE1-NH2 3.15Å; E90-R93 IonicContact OE2-CZ 3.27Å; E90-R93 VanDerWaalsContact OE2-CZ 3.27Å; E90-R93 IonicContact OE2-NE 2.72Å; E90-R93 PolarHBondContact OE2-NE 2.87Å; E90-R93 IonicContact OE2-NH2 2.98Å; E90-R93 PolarHBondContact OE2-NH2 3.41Å; E90-R94 PolarHBondContact O-N 3.4Å; E90-R94 VanDerWaalsContact O-N 3.15Å; E90-R94 IonicContact OE1-CZ 3.12Å; E90-R94 IonicContact OE1-NE 3.62Å; E90-R94 PolarHBondContact OE1-NE 2.89Å; E90-R94 IonicContact OE1-NH2 2.75Å; E90-R94 PolarHBondContact OE1-NH2 2.87Å
91A97.9Very high94.3Very high0 Ų062.2 Ų62.20%031%0.312CS..Hα-helixtrans-56.5-48.4173.800000110.9I67 I76 D87 R93 R94 G95 I96 V98I67-A91 HydrophobicContact CD1-CB 4.08Å; I76-A91 HydrophobicContact CD1-CB 4.13Å; D87-A91 WeakPolarHBondContact O-CB 3.44Å; D87-A91 PolarHBondContact O-N 3.37Å; A91-R93 PolarHBondContact O-N 2.93Å; A91-R94 CarbonylContact O-C 3.47Å; A91-R94 PolarHBondContact O-N 3.32Å; A91-G95 PolarHBondContact O-N 2.96Å; A91-I96 CarbonylContact C-O 3.59Å; A91-I96 HydrophobicContact CB-CB 4.17Å; A91-I96 HydrophobicContact CB-CG2 4.47Å; A91-I96 WeakPolarHBondContact O-CB 3.39Å; A91-I96 PolarHBondContact O-N 3.46Å; A91-V98 HydrophobicContact CB-CG2 3.41Å; A91-V98 VanDerWaalsContact CB-CG2 3.41Å
92R96.2Very high94.2Very high200 Ų20061 Ų6176%0.75531%0.306SS*.Hα-helixtrans-62.6-42.3178.2-175.8178-177.6169.51112.4V88 N89 E90 R94 G95V88-R92 VanDerWaalsContact O-CB 3.23Å; V88-R92 WeakPolarHBondContact O-CB 3.49Å; V88-R92 PolarHBondContact O-N 3.28Å; N89-R92 PolarHBondContact O-N 2.88Å; E90-R92 VanDerWaalsContact C-N 3.32Å; E90-R92 PolarHBondContact O-N 3.44Å; R92-R94 PolarHBondContact O-N 3.21Å; R92-G95 PolarHBondContact O-N 3.03Å
93R97Very high94.3Very high165 Ų16565.8 Ų65.862%0.62333%0.325SS*.Hα-helixtrans-58.9-32.3177.6-170-175.968.489.1-2.6111.9N89 E90 A91 G95N89-R93 WeakPolarHBondContact O-CB 3.45Å; N89-R93 PolarHBondContact O-N 3.41Å; E90-R93 VanDerWaalsContact CD-NH2 3.28Å; E90-R93 PolarHBondContact O-N 3.07Å; E90-R93 IonicContact OE1-CZ 3.7Å; E90-R93 IonicContact OE1-NE 3.87Å; E90-R93 IonicContact OE1-NH2 2.73Å; E90-R93 PolarHBondContact OE1-NH2 3.15Å; E90-R93 IonicContact OE2-CZ 3.27Å; E90-R93 VanDerWaalsContact OE2-CZ 3.27Å; E90-R93 IonicContact OE2-NE 2.72Å; E90-R93 PolarHBondContact OE2-NE 2.87Å; E90-R93 IonicContact OE2-NH2 2.98Å; E90-R93 PolarHBondContact OE2-NH2 3.41Å; A91-R93 PolarHBondContact O-N 2.93Å; R93-G95 VanDerWaalsContact C-N 3.35Å
94R96.3Very high94.3Very high107 Ų10762.5 Ų62.540%0.40431%0.309SS..THydrogen-bonded Turntrans-88.13175.7-64.4-172.7-171.3-112.8-6.1114.5E90 A91 R92 I96E90-R94 PolarHBondContact O-N 3.4Å; E90-R94 VanDerWaalsContact O-N 3.15Å; E90-R94 IonicContact OE1-CZ 3.12Å; E90-R94 IonicContact OE1-NE 3.62Å; E90-R94 PolarHBondContact OE1-NE 2.89Å; E90-R94 IonicContact OE1-NH2 2.75Å; E90-R94 PolarHBondContact OE1-NH2 2.87Å; A91-R94 CarbonylContact O-C 3.47Å; A91-R94 PolarHBondContact O-N 3.32Å; R92-R94 PolarHBondContact O-N 3.21Å; R94-I96 VanDerWaalsContact C-N 3.29Å; R94-I96 HydrophobicContact CB-CD1 4.15Å; R94-I96 HydrophobicContact CB-CG1 4.17Å; R94-I96 PolarHBondContact O-N 3.3Å
95G95.7Very high94.4Very high67 Ų6758.2 Ų58.269%0.69129%0.286SS*.THydrogen-bonded Turntrans74.816.4-178.200000114.3A91 R92 R93A91-G95 PolarHBondContact O-N 2.96Å; R92-G95 PolarHBondContact O-N 3.03Å; R93-G95 VanDerWaalsContact C-N 3.35Å
96I97.4Very high94.5Very high12 Ų1257.7 Ų57.76%0.06228%0.284CS..  trans-85.4124.2175.8-55.8172000108I67 L73 I76 A91 R94I67-I96 HydrophobicContact CG2-CD1 3.84Å; L73-I96 HydrophobicContact CB-CD1 3.98Å; L73-I96 HydrophobicContact CB-CG1 4.46Å; L73-I96 HydrophobicContact CB-CG2 4.49Å; I76-I96 HydrophobicContact CD1-CG2 3.8Å; I76-I96 HydrophobicContact CG1-CG2 3.84Å; A91-I96 CarbonylContact C-O 3.59Å; A91-I96 HydrophobicContact CB-CB 4.17Å; A91-I96 HydrophobicContact CB-CG2 4.47Å; A91-I96 WeakPolarHBondContact O-CB 3.39Å; A91-I96 PolarHBondContact O-N 3.46Å; R94-I96 VanDerWaalsContact C-N 3.29Å; R94-I96 HydrophobicContact CB-CD1 4.15Å; R94-I96 HydrophobicContact CB-CG1 4.17Å; R94-I96 PolarHBondContact O-N 3.3Å
97K96.8Very high94.5Very high100 Ų10060.4 Ų60.444%0.43530%0.298SS..EExtended strand (participates in β ladder)trans-71.4136.7175.4-167.2179.2-170.5-169.40109.5K74 I75 I76 E99 F307K74-K97 PolarHBondContact O-N 3.36Å; I75-K97 CarbonylContact C-O 3.49Å; I75-K97 VanDerWaalsContact CA-O 3.23Å; I75-K97 WeakPolarHBondContact CA-O 3.2Å; I75-K97 HydrophobicContact CB-CB 4.41Å; I75-K97 HydrophobicContact CD1-CD 4.34Å; I75-K97 HydrophobicContact CG1-CB 4.17Å; I76-K97 PolarHBondContact N-O 2.79Å; K97-E99 HydrophobicContact CD-CG 4.23Å; K97-E99 WeakPolarHBondContact CD-OE1 3.48Å; K97-E99 WeakPolarHBondContact CE-OE1 3.29Å; K97-E99 HydrophobicContact CG-CG 4.27Å; K97-E99 IonicContact NZ-OE1 3.52Å; K97-E99 PolarHBondContact NZ-OE1 2.84Å; K97-F307 HydrophobicContact CB-CE2 3.93Å; K97-F307 HydrophobicContact CD-CD2 3.73Å; K97-F307 HydrophobicContact CD-CE2 3.77Å; K97-F307 HydrophobicContact CG-CE2 4.5Å
98V97.3Very high94.5Very high30 Ų3057.8 Ų57.818%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-114.3127.4171.3-173.20000108.7I76 M83 I86 V88 A91I76-V98 WeakPolarHBondContact O-CA 3.41Å; M83-V98 HydrophobicContact SD-CG1 4.01Å; I86-V98 HydrophobicContact CD1-CG1 4.22Å; I86-V98 HydrophobicContact CG2-CG1 4.11Å; I86-V98 HydrophobicContact CG2-CG2 4.43Å; V88-V98 HydrophobicContact CG1-CB 4.39Å; V88-V98 HydrophobicContact CG1-CG2 4.42Å; V88-V98 HydrophobicContact CG2-CG1 4.28Å; A91-V98 HydrophobicContact CB-CG2 3.41Å; A91-V98 VanDerWaalsContact CB-CG2 3.41Å
99E96.3Very high94.4Very high45 Ų4556.2 Ų56.221%0.2128%0.277CS..EExtended strand (participates in β ladder)trans-126.8159.6175.6-67.7-167.4-158.700111.1I75 I76 I77 R78 K97 A303I75-E99 HydrophobicContact CD1-CG 4.21Å; I76-E99 PolarHBondContact O-N 2.94Å; I77-E99 CarbonylContact C-O 3.58Å; I77-E99 WeakPolarHBondContact CA-O 3.29Å; I77-E99 HydrophobicContact CG1-CB 4.45Å; R78-E99 PolarHBondContact N-O 3.09Å; K97-E99 HydrophobicContact CD-CG 4.23Å; K97-E99 WeakPolarHBondContact CD-OE1 3.48Å; K97-E99 WeakPolarHBondContact CE-OE1 3.29Å; K97-E99 HydrophobicContact CG-CG 4.27Å; K97-E99 IonicContact NZ-OE1 3.52Å; K97-E99 PolarHBondContact NZ-OE1 2.84Å; E99-A303 VanDerWaalsContact OE2-CB 3.26Å; E99-A303 WeakPolarHBondContact OE2-CB 3.29Å
100N94.4Very high94.5Very high46 Ų4650 Ų5025%0.24624%0.244CC..  trans-132.8-178.7175.169.6-11.3000109.8R78 G80 T81 M83 P102R78-N100 HydrophobicContact CB-CB 4.11Å; R78-N100 WeakPolarHBondContact O-CA 3.21Å; G80-N100 WeakPolarHBondContact O-CB 3.42Å; T81-N100 PolarHBondContact O-ND2 3.28Å; M83-N100 HydrophobicContact CG-CB 3.95Å; M83-N100 HydrophobicContact SD-CB 4.09Å; N100-P102 VanDerWaalsContact O-CD 3.29Å; N100-P102 WeakPolarHBondContact O-CD 3.41Å; N100-P102 WeakPolarHBondContact OD1-CD 3.49Å
101T92.1Very high94.5Very high1 Ų153.7 Ų53.71%0.00626%0.261CS..  trans-116.876.7177.747.90000109.6R78 G80 T81 E103 V296 E299 I300R78-T101 PolarHBondContact O-N 3.04Å; R78-T101 PolarHBondContact O-OG1 2.91Å; G80-T101 VanDerWaalsContact CA-OG1 3.3Å; G80-T101 WeakPolarHBondContact CA-OG1 3.44Å; G80-T101 PolarHBondContact N-OG1 3.04Å; G80-T101 PolarHBondContact O-N 2.85Å; G80-T101 PolarHBondContact O-OG1 3.47Å; T81-T101 PolarHBondContact OG1-O 2.87Å; T101-E103 VanDerWaalsContact C-N 3.31Å; T101-E103 PolarHBondContact O-N 3.38Å; T101-V296 HydrophobicContact CG2-CG1 4.3Å; T101-E299 WeakPolarHBondContact CA-OE2 2.99Å; T101-E299 WeakPolarHBondContact CB-OE2 3.46Å; T101-E299 HydrophobicContact CG2-CB 3.55Å; T101-I300 HydrophobicContact CG2-CG1 3.92Å
102P83.8Confident94.6Very high39 Ų3955.1 Ų55.125%0.25327%0.268SS..THydrogen-bonded Turntrans-73.5-22.7-165.928.9-33.6000113.2T81 N100T81-P102 HydrophobicContact CG2-CB 4.35Å; N100-P102 VanDerWaalsContact O-CD 3.29Å; N100-P102 WeakPolarHBondContact O-CD 3.41Å; N100-P102 WeakPolarHBondContact OD1-CD 3.49Å
103E84.9Confident94.7Very high110 Ų11045.6 Ų45.651%0.51423%0.232SC..THydrogen-bonded Turntrans-95.8-34.2-173.5-50.7-155.8145.100111.9T101 N105 S106 R158T101-E103 VanDerWaalsContact C-N 3.31Å; T101-E103 PolarHBondContact O-N 3.38Å; E103-N105 PolarHBondContact O-N 3.08Å; E103-S106 PolarHBondContact O-N 3.32Å; E103-S106 VanDerWaalsContact O-N 3.12Å; E103-S106 PolarHBondContact O-OG 3.4Å; E103-R158 IonicContact OE1-CZ 2.6Å; E103-R158 IonicContact OE1-NE 2.99Å; E103-R158 PolarHBondContact OE1-NE 3.37Å; E103-R158 IonicContact OE1-NH2 3.62Å; E103-R158 PolarHBondContact OE1-NH2 3.45Å
104A88.7Confident94.8Very high0 Ų038.4 Ų38.40%021%0.207CC..THydrogen-bonded Turntrans-50.6-34.1-174.300000115.5R295 V296 E299A104-R295 HydrophobicContact CB-CB 3.72Å; A104-R295 VanDerWaalsContact O-CZ 3.28Å; A104-R295 PolarHBondContact O-NE 2.97Å; A104-R295 PolarHBondContact O-NH2 3.18Å; A104-V296 HydrophobicContact CB-CB 4.17Å; A104-V296 HydrophobicContact CB-CG2 3.39Å; A104-E299 WeakPolarHBondContact CA-OE1 3.12Å; A104-E299 WeakPolarHBondContact CB-OE1 3.42Å; A104-E299 PolarHBondContact N-OE1 3.03Å
105N90.9Very high94.9Very high16 Ų1636.7 Ų36.79%0.08621%0.211CC..THydrogen-bonded Turntrans-100.5-5.1-172.4-61.2-25.8000114.1E103 I107 S108 A109 A287 V296E103-N105 PolarHBondContact O-N 3.08Å; N105-I107 PolarHBondContact O-N 3.27Å; N105-S108 PolarHBondContact O-N 3.01Å; N105-A109 WeakPolarHBondContact O-CB 3.12Å; N105-A109 PolarHBondContact O-N 2.93Å; N105-A287 HydrophobicContact CB-CB 3.88Å; N105-V296 WeakPolarHBondContact OD1-CG2 3.49Å
106S94.1Very high95Very high13 Ų1334 Ų349%0.09118%0.181CC..Hα-helixtrans-61.7-42.7-167.8-66.50000113.1E103 A110E103-S106 PolarHBondContact O-N 3.32Å; E103-S106 VanDerWaalsContact O-N 3.12Å; E103-S106 PolarHBondContact O-OG 3.4Å; S106-A110 WeakPolarHBondContact O-CB 3.17Å; S106-A110 PolarHBondContact O-N 3.07Å; S106-A110 VanDerWaalsContact O-N 3.09Å
107I96.3Very high95.1Very high67 Ų6733.4 Ų33.434%0.34418%0.178SC..Hα-helixtrans-66.7-49.7179-64173000110.6N105 A109 A110 E111 L162N105-I107 PolarHBondContact O-N 3.27Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 2.96Å; I107-A110 PolarHBondContact O-N 3.34Å; I107-A110 VanDerWaalsContact O-N 3.15Å; I107-E111 HydrophobicContact CG2-CG 4.38Å; I107-E111 WeakPolarHBondContact O-CG 3.14Å; I107-E111 PolarHBondContact O-N 3.36Å; I107-L162 HydrophobicContact CG1-CD1 4.24Å
108S96.5Very high95.2Very high3 Ų331.5 Ų31.52%0.02117%0.171CC..Hα-helixtrans-60.8-43.2-178.4-55.10000111.8N105 A110 E111 M112 G286 T289 A292 R295N105-S108 PolarHBondContact O-N 3.01Å; S108-A110 PolarHBondContact O-N 3.44Å; S108-E111 PolarHBondContact O-N 3.23Å; S108-M112 WeakPolarHBondContact O-CB 3.41Å; S108-M112 PolarHBondContact O-N 3.24Å; S108-G286 CarbonylContact C-O 3.58Å; S108-G286 WeakPolarHBondContact CB-O 3.4Å; S108-G286 VanDerWaalsContact O-O 3.14Å; S108-T289 PolarHBondContact OG-OG1 3.02Å; S108-A292 VanDerWaalsContact OG-CB 3.24Å; S108-A292 WeakPolarHBondContact OG-CB 3.37Å; S108-R295 PolarHBondContact OG-NH2 3.24Å
109A96.2Very high95.3Very high16 Ų1630.6 Ų30.613%0.13217%0.167CC..Hα-helixtrans-64.6-40.6176.300000111.8N105 I107 M112 T113 V159 G286N105-A109 WeakPolarHBondContact O-CB 3.12Å; N105-A109 PolarHBondContact O-N 2.93Å; I107-A109 VanDerWaalsContact C-N 3.34Å; I107-A109 PolarHBondContact O-N 2.96Å; A109-M112 PolarHBondContact O-N 2.87Å; A109-T113 PolarHBondContact O-N 3.38Å; A109-T113 PolarHBondContact O-OG1 3.39Å; A109-T113 VanDerWaalsContact O-OG1 3.09Å; A109-V159 HydrophobicContact CB-CG1 4.15Å; A109-V159 HydrophobicContact CB-CG2 4.04Å; A109-G286 WeakPolarHBondContact CA-O 3.39Å; A109-G286 PolarHBondContact N-O 3.28Å; A109-G286 VanDerWaalsContact N-O 3.13Å
110A98.1Very high95.4Very high0 Ų028.8 Ų28.80%016%0.159CC..Hα-helixtrans-64.6-43.9176.200000111.8S106 I107 S108 M112 T113 C114 V159 L162 V163S106-A110 WeakPolarHBondContact O-CB 3.17Å; S106-A110 PolarHBondContact O-N 3.07Å; S106-A110 VanDerWaalsContact O-N 3.09Å; I107-A110 PolarHBondContact O-N 3.34Å; I107-A110 VanDerWaalsContact O-N 3.15Å; S108-A110 PolarHBondContact O-N 3.44Å; A110-M112 VanDerWaalsContact C-N 3.34Å; A110-T113 PolarHBondContact O-N 2.86Å; A110-C114 WeakPolarHBondContact O-CB 3.4Å; A110-C114 PolarHBondContact O-N 2.82Å; A110-C114 PolarHBondContact O-SG 3.21Å; A110-V159 HydrophobicContact CB-CG1 4.16Å; A110-L162 HydrophobicContact CB-CB 3.58Å; A110-L162 HydrophobicContact CB-CD1 4.24Å; A110-V163 HydrophobicContact CB-CG2 3.9Å
111E98.4Very high95.6Very high91 Ų9126.7 Ų26.743%0.42515%0.148SC..Hα-helixtrans-63.6-39.4176.1-74177.8179.900112I107 S108 C114 S115I107-E111 HydrophobicContact CG2-CG 4.38Å; I107-E111 WeakPolarHBondContact O-CG 3.14Å; I107-E111 PolarHBondContact O-N 3.36Å; S108-E111 PolarHBondContact O-N 3.23Å; E111-C114 PolarHBondContact O-N 3.34Å; E111-S115 VanDerWaalsContact O-CB 3.29Å; E111-S115 WeakPolarHBondContact O-CB 3.38Å; E111-S115 PolarHBondContact O-N 3.29Å; E111-S115 PolarHBondContact O-OG 3.16Å
112M98.5Very high95.8Very high29 Ų2933 Ų3314%0.14317%0.172CC..Hα-helixtrans-60.2-50.1173-174.866.1158.900111.2S108 A109 A110 C114 S115 L116 D261 T282 I285S108-M112 WeakPolarHBondContact O-CB 3.41Å; S108-M112 PolarHBondContact O-N 3.24Å; A109-M112 PolarHBondContact O-N 2.87Å; A110-M112 VanDerWaalsContact C-N 3.34Å; M112-C114 VanDerWaalsContact C-N 3.35Å; M112-C114 PolarHBondContact O-N 3.16Å; M112-S115 WeakPolarHBondContact O-CB 3.24Å; M112-S115 PolarHBondContact O-N 2.88Å; M112-L116 HydrophobicContact CE-CD1 4.4Å; M112-L116 HydrophobicContact CG-CD1 4.36Å; M112-L116 WeakPolarHBondContact O-CB 3.34Å; M112-L116 WeakPolarHBondContact O-CG 3.32Å; M112-L116 PolarHBondContact O-N 2.97Å; M112-D261 HydrophobicContact CE-CB 4.23Å; M112-D261 VanDerWaalsContact CE-OD1 3.29Å; M112-D261 WeakPolarHBondContact CE-OD1 3.25Å; M112-T282 HydrophobicContact CE-CG2 3.91Å; M112-T282 WeakPolarHBondContact CE-OG1 3.44Å; M112-I285 HydrophobicContact CE-CD1 4.02Å; M112-I285 HydrophobicContact CE-CG1 3.6Å
113T98.8Very high96.5Very high1 Ų133 Ų331%0.00617%0.169CC..Hα-helixtrans-57.6-46.9176.9-61.50000111.7A109 A110 S115 L116 L117 V163 S205 V233A109-T113 PolarHBondContact O-N 3.38Å; A109-T113 PolarHBondContact O-OG1 3.39Å; A109-T113 VanDerWaalsContact O-OG1 3.09Å; A110-T113 PolarHBondContact O-N 2.86Å; T113-S115 VanDerWaalsContact C-N 3.32Å; T113-S115 PolarHBondContact O-N 3.01Å; T113-L116 PolarHBondContact O-N 3.3Å; T113-L117 HydrophobicContact CG2-CD1 4.16Å; T113-L117 WeakPolarHBondContact O-CG 3.49Å; T113-L117 PolarHBondContact O-N 2.94Å; T113-V163 HydrophobicContact CG2-CG1 4.15Å; T113-V163 HydrophobicContact CG2-CG2 3.96Å; T113-S205 WeakPolarHBondContact CG2-OG 3.5Å; T113-V233 HydrophobicContact CG2-CG1 4.07Å
114C98.8Very high97.1Very high13 Ų1332.2 Ų32.29%0.08817%0.167CC..Hα-helixtrans-62.8-40.5179-63.30000111.6A110 E111 M112 L117 M118 M167A110-C114 WeakPolarHBondContact O-CB 3.4Å; A110-C114 PolarHBondContact O-N 2.82Å; A110-C114 PolarHBondContact O-SG 3.21Å; E111-C114 PolarHBondContact O-N 3.34Å; M112-C114 VanDerWaalsContact C-N 3.35Å; M112-C114 PolarHBondContact O-N 3.16Å; C114-L117 PolarHBondContact O-N 3.27Å; C114-M118 WeakPolarHBondContact O-CG 3.47Å; C114-M118 PolarHBondContact O-N 2.88Å; C114-M118 VanDerWaalsContact O-N 3.08Å; C114-M167 HydrophobicContact CB-CE 3.67Å; C114-M167 HydrophobicContact CB-SD 4.25Å; C114-M167 WeakPolarHBondContact SG-CE 3.22Å
115S98.7Very high97.6Very high72 Ų7234.6 Ų34.650%0.50318%0.183SC..Hα-helixtrans-63.5-43.6176.5-60.10000111.4E111 M112 T113 M118 A119E111-S115 VanDerWaalsContact O-CB 3.29Å; E111-S115 WeakPolarHBondContact O-CB 3.38Å; E111-S115 PolarHBondContact O-N 3.29Å; E111-S115 PolarHBondContact O-OG 3.16Å; M112-S115 WeakPolarHBondContact O-CB 3.24Å; M112-S115 PolarHBondContact O-N 2.88Å; T113-S115 VanDerWaalsContact C-N 3.32Å; T113-S115 PolarHBondContact O-N 3.01Å; S115-M118 PolarHBondContact O-N 3.01Å; S115-A119 WeakPolarHBondContact O-CB 3.44Å; S115-A119 PolarHBondContact O-N 2.7Å
116L98.8Very high97.9Very high10 Ų1035.7 Ų35.75%0.05219%0.188CC..Hα-helixtrans-67.6-38.8177.2-73-174.7000112.6M112 T113 M118 A119 L120 V233 A259 D261 I280M112-L116 HydrophobicContact CE-CD1 4.4Å; M112-L116 HydrophobicContact CG-CD1 4.36Å; M112-L116 WeakPolarHBondContact O-CB 3.34Å; M112-L116 WeakPolarHBondContact O-CG 3.32Å; M112-L116 PolarHBondContact O-N 2.97Å; T113-L116 PolarHBondContact O-N 3.3Å; L116-M118 PolarHBondContact O-N 3.25Å; L116-A119 PolarHBondContact O-N 2.64Å; L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 PolarHBondContact O-N 2.99Å; L116-V233 HydrophobicContact CB-CG1 3.92Å; L116-V233 HydrophobicContact CD1-CG1 4.3Å; L116-A259 HydrophobicContact CB-CB 3.77Å; L116-A259 HydrophobicContact CD1-CB 4.15Å; L116-A259 HydrophobicContact CD2-CB 4.21Å; L116-A259 HydrophobicContact CG-CB 4.26Å; L116-D261 HydrophobicContact CD1-CB 4.38Å; L116-I280 HydrophobicContact CD2-CG2 3.93Å
117L98.8Very high98.1Very high0 Ų036.2 Ų36.20%019%0.193CC..Hα-helixtrans-57.1-49.2172.2-79.5166.2000111.3T113 C114 S121 L146 L151 V163 M167 Y203 V233T113-L117 HydrophobicContact CG2-CD1 4.16Å; T113-L117 WeakPolarHBondContact O-CG 3.49Å; T113-L117 PolarHBondContact O-N 2.94Å; C114-L117 PolarHBondContact O-N 3.27Å; L117-S121 WeakPolarHBondContact O-CB 3.49Å; L117-S121 PolarHBondContact O-N 3.41Å; L117-L146 HydrophobicContact CB-CD1 4.46Å; L117-L151 HydrophobicContact CD1-CD1 4.25Å; L117-L151 HydrophobicContact CD1-CD2 4.13Å; L117-L151 HydrophobicContact CD2-CD1 4.07Å; L117-V163 HydrophobicContact CD1-CG1 4.47Å; L117-M167 HydrophobicContact CD1-CG 3.93Å; L117-M167 HydrophobicContact CD1-SD 3.77Å; L117-Y203 HydrophobicContact CD2-CD1 3.81Å; L117-Y203 HydrophobicContact CD2-CG 4.22Å; L117-V233 HydrophobicContact CD2-CB 4.45Å; L117-V233 HydrophobicContact CD2-CG2 3.58Å; L117-V233 HydrophobicContact CG-CG2 3.9Å
118M98.6Very high98.2Very high59 Ų5936.7 Ų36.729%0.29120%0.196SC..Hα-helixtrans-64.8-45.5177.9-75.3-63.4-69.600112.3C114 S115 L116 L120 S121 R122 L146 F170C114-M118 WeakPolarHBondContact O-CG 3.47Å; C114-M118 PolarHBondContact O-N 2.88Å; C114-M118 VanDerWaalsContact O-N 3.08Å; S115-M118 PolarHBondContact O-N 3.01Å; L116-M118 PolarHBondContact O-N 3.25Å; M118-L120 VanDerWaalsContact C-N 3.33Å; M118-L120 PolarHBondContact O-N 3.12Å; M118-S121 PolarHBondContact O-N 2.92Å; M118-R122 WeakPolarHBondContact O-CB 3.44Å; M118-R122 PolarHBondContact O-N 3.32Å; M118-L146 HydrophobicContact CG-CD1 4.11Å; M118-L146 HydrophobicContact SD-CD1 3.34Å; M118-L146 WeakPolarHBondContact SD-CD1 3.43Å; M118-L146 HydrophobicContact SD-CG 3.96Å; M118-F170 HydrophobicContact CE-CD1 4.34Å; M118-F170 HydrophobicContact CE-CE1 3.84Å; M118-F170 HydrophobicContact CG-CE1 4.25Å; M118-F170 HydrophobicContact SD-CD1 3.81Å; M118-F170 HydrophobicContact SD-CE1 3.68Å
119A98.7Very high98.2Very high12 Ų1238.5 Ų38.510%0.09921%0.211CC..Hα-helixtrans-61-42.6178.900000111.7S115 L116 R122 N123 I124 P125 I280S115-A119 WeakPolarHBondContact O-CB 3.44Å; S115-A119 PolarHBondContact O-N 2.7Å; L116-A119 PolarHBondContact O-N 2.64Å; A119-R122 PolarHBondContact O-N 3.36Å; A119-N123 WeakPolarHBondContact O-CA 3.45Å; A119-N123 PolarHBondContact O-N 3.28Å; A119-I124 HydrophobicContact CB-CB 4.35Å; A119-I124 PolarHBondContact O-N 2.93Å; A119-I124 VanDerWaalsContact O-N 3.12Å; A119-P125 HydrophobicContact CB-CG 4.44Å; A119-I280 VanDerWaalsContact C-CD1 3.5Å; A119-I280 HydrophobicContact CB-CD1 3.96Å
120L98.5Very high98.3Very high6 Ų637.9 Ų37.93%0.03121%0.206CC..Hα-helixtrans-68.3-37.4177.5-17262.5000111.9L116 M118 R122 R231 V233 A259 I280L116-L120 WeakPolarHBondContact O-CB 3.28Å; L116-L120 PolarHBondContact O-N 2.99Å; M118-L120 VanDerWaalsContact C-N 3.33Å; M118-L120 PolarHBondContact O-N 3.12Å; L120-R122 VanDerWaalsContact C-N 3.29Å; L120-R122 PolarHBondContact O-N 3.05Å; L120-R231 HydrophobicContact CD2-CB 3.76Å; L120-R231 HydrophobicContact CD2-CG 4.26Å; L120-R231 HydrophobicContact CG-CB 4.47Å; L120-R231 HydrophobicContact CG-CG 4.49Å; L120-V233 HydrophobicContact CD2-CG2 4.16Å; L120-A259 HydrophobicContact CB-CB 4.3Å; L120-A259 HydrophobicContact CD2-CB 4.12Å; L120-I280 HydrophobicContact CB-CD1 4.17Å; L120-I280 HydrophobicContact CD1-CD1 4.18Å
121S98.4Very high98.3Very high2 Ų242.3 Ų42.31%0.01423%0.227CC..Hα-helixtrans-69.6-27.5177.4-157.60000113.2L117 M118 G143 S144 Y203L117-S121 WeakPolarHBondContact O-CB 3.49Å; L117-S121 PolarHBondContact O-N 3.41Å; M118-S121 PolarHBondContact O-N 2.92Å; S121-G143 CarbonylContact O-C 3.6Å; S121-G143 VanDerWaalsContact O-CA 3.29Å; S121-G143 WeakPolarHBondContact O-CA 3.22Å; S121-S144 PolarHBondContact O-N 2.92Å; S121-S144 PolarHBondContact OG-O 3.41Å; S121-Y203 PolarHBondContact OG-OH 3.11Å
122R98Very high98.3Very high135 Ų13545.9 Ų45.951%0.50924%0.241SC..Hα-helixtrans-117.57.8-171.8-62.8-58.4-55.7-81-2.4114.5M118 A119 L120 I124 S144M118-R122 WeakPolarHBondContact O-CB 3.44Å; M118-R122 PolarHBondContact O-N 3.32Å; A119-R122 PolarHBondContact O-N 3.36Å; L120-R122 VanDerWaalsContact C-N 3.29Å; L120-R122 PolarHBondContact O-N 3.05Å; R122-I124 HydrophobicContact CB-CD1 4.29Å; R122-I124 HydrophobicContact CB-CG1 3.93Å; R122-I124 PolarHBondContact O-N 2.82Å; R122-S144 VanDerWaalsContact CD-O 3.32Å; R122-S144 WeakPolarHBondContact CD-O 3.48Å
123N97.8Very high98.2Very high39 Ų3950 Ų5021%0.20926%0.261CS..THydrogen-bonded Turntrans53.234.6179.6-50.8-61.1000113.5A119 Q126 A127 F141 M142A119-N123 WeakPolarHBondContact O-CA 3.45Å; A119-N123 PolarHBondContact O-N 3.28Å; N123-Q126 PolarHBondContact O-N 3.16Å; N123-Q126 PolarHBondContact O-OE1 3.25Å; N123-A127 VanDerWaalsContact O-CB 3.29Å; N123-A127 WeakPolarHBondContact O-CB 3.3Å; N123-A127 PolarHBondContact O-N 3.41Å; N123-F141 HydrophobicContact CB-CD1 4.02Å; N123-M142 PolarHBondContact ND2-O 3.46Å
124I98.1Very high98.2Very high92 Ų9253.4 Ų53.447%0.47230%0.295SS..Hα-helixtrans-59.5-50.5-168.3-69.3173.7000112A119 R122 Q126 A127 N128A119-I124 HydrophobicContact CB-CB 4.35Å; A119-I124 PolarHBondContact O-N 2.93Å; A119-I124 VanDerWaalsContact O-N 3.12Å; R122-I124 HydrophobicContact CB-CD1 4.29Å; R122-I124 HydrophobicContact CB-CG1 3.93Å; R122-I124 PolarHBondContact O-N 2.82Å; I124-Q126 PolarHBondContact O-N 3.38Å; I124-A127 PolarHBondContact O-N 2.79Å; I124-N128 VanDerWaalsContact O-CB 3.3Å; I124-N128 WeakPolarHBondContact O-CB 3.49Å; I124-N128 PolarHBondContact O-N 2.89Å
125P97.9Very high98.1Very high50 Ų5058 Ų5833%0.32531%0.311SS..Hα-helixtrans-62.3-42.1-179.1-26.438.2000112.9A119 N128 A129 I280A119-P125 HydrophobicContact CB-CG 4.44Å; P125-N128 PolarHBondContact O-N 3.4Å; P125-A129 WeakPolarHBondContact O-CB 3.39Å; P125-A129 PolarHBondContact O-N 3.49Å; P125-I280 HydrophobicContact CB-CG1 4.47Å; P125-I280 HydrophobicContact CG-CB 4.5Å; P125-I280 HydrophobicContact CG-CD1 3.82Å; P125-I280 HydrophobicContact CG-CG1 3.92Å; P125-I280 HydrophobicContact CG-CG2 3.82Å
126Q97.6Very high98.1Very high39 Ų3963.3 Ų63.318%0.18232%0.32CS..Hα-helixtrans-65.3-45.7178.9-61.489.6-25.800111.4N123 I124 N128 A129 S130 F141 T277N123-Q126 PolarHBondContact O-N 3.16Å; N123-Q126 PolarHBondContact O-OE1 3.25Å; I124-Q126 PolarHBondContact O-N 3.38Å; Q126-N128 PolarHBondContact O-N 2.93Å; Q126-A129 PolarHBondContact O-N 2.83Å; Q126-S130 PolarHBondContact O-N 2.89Å; Q126-F141 HydrophobicContact CB-CE1 3.84Å; Q126-T277 PolarHBondContact NE2-O 2.91Å
127A98Very high97.8Very high24 Ų2466 Ų6620%0.19834%0.335CS..Hα-helixtrans-62.6-43.5177.100000111.7N123 I124 S130 M131 F141N123-A127 VanDerWaalsContact O-CB 3.29Å; N123-A127 WeakPolarHBondContact O-CB 3.3Å; N123-A127 PolarHBondContact O-N 3.41Å; I124-A127 PolarHBondContact O-N 2.79Å; A127-S130 PolarHBondContact O-N 3.31Å; A127-M131 WeakPolarHBondContact O-CG 3.24Å; A127-M131 PolarHBondContact O-N 3.13Å; A127-F141 HydrophobicContact CB-CB 4.37Å; A127-F141 HydrophobicContact CB-CD1 4.03Å; A127-F141 HydrophobicContact CB-CD2 3.83Å; A127-F141 HydrophobicContact CB-CE1 4.27Å; A127-F141 HydrophobicContact CB-CE2 4.08Å; A127-F141 HydrophobicContact CB-CG 3.82Å; A127-F141 HydrophobicContact CB-CZ 4.3Å
128N98Very high97.6Very high78 Ų7875.4 Ų75.442%0.41737%0.37SS..Hα-helixtrans-62.5-43.3175.1165.481.2000112.4I124 P125 Q126 M131 K132I124-N128 VanDerWaalsContact O-CB 3.3Å; I124-N128 WeakPolarHBondContact O-CB 3.49Å; I124-N128 PolarHBondContact O-N 2.89Å; P125-N128 PolarHBondContact O-N 3.4Å; Q126-N128 PolarHBondContact O-N 2.93Å; N128-M131 PolarHBondContact O-N 3Å; N128-K132 WeakPolarHBondContact O-CG 3.42Å; N128-K132 PolarHBondContact O-N 3.09Å; N128-K132 WeakPolarHBondContact OD1-CE 3.39Å
129A97.1Very high97.4Very high40 Ų4081.3 Ų81.333%0.33140%0.397SS..Hα-helixtrans-60.2-46.5175.800000111.3P125 Q126 M131 K132 E133P125-A129 WeakPolarHBondContact O-CB 3.39Å; P125-A129 PolarHBondContact O-N 3.49Å; Q126-A129 PolarHBondContact O-N 2.83Å; A129-M131 VanDerWaalsContact C-N 3.31Å; A129-M131 PolarHBondContact O-N 3.45Å; A129-K132 PolarHBondContact O-N 2.93Å; A129-K132 VanDerWaalsContact O-N 3.16Å; A129-E133 WeakPolarHBondContact O-CG 3.49Å; A129-E133 PolarHBondContact O-N 3.11Å; A129-E133 VanDerWaalsContact O-N 3.12Å
130S97.8Very high97.2Very high3 Ų387.6 Ų87.62%0.02142%0.424CS..Hα-helixtrans-57.4-41.6175.3-175.70000113Q126 A127 E133 G134 R135 N137Q126-S130 PolarHBondContact O-N 2.89Å; A127-S130 PolarHBondContact O-N 3.31Å; S130-E133 CarbonylContact O-C 3.52Å; S130-E133 PolarHBondContact O-N 3.14Å; S130-G134 PolarHBondContact O-N 2.76Å; S130-R135 WeakPolarHBondContact O-CB 3.41Å; S130-R135 PolarHBondContact O-N 2.88Å; S130-R135 WeakPolarHBondContact OG-CB 3.29Å; S130-R135 PolarHBondContact OG-O 3.37Å; S130-N137 PolarHBondContact OG-ND2 2.8Å
131M98.2Very high97.1Very high93 Ų9389.2 Ų89.246%0.45843%0.431SS..Hα-helixtrans-66.4-39.6177.2-78.1-59.8-56.500112.7A127 N128 A129 E133 G134 W136A127-M131 WeakPolarHBondContact O-CG 3.24Å; A127-M131 PolarHBondContact O-N 3.13Å; N128-M131 PolarHBondContact O-N 3Å; A129-M131 VanDerWaalsContact C-N 3.31Å; A129-M131 PolarHBondContact O-N 3.45Å; M131-E133 PolarHBondContact O-N 3.12Å; M131-G134 PolarHBondContact O-N 3.34Å; M131-W136 HydrophobicContact CE-CE3 3.6Å; M131-W136 HydrophobicContact CE-CZ3 3.51Å; M131-W136 HydrophobicContact SD-CE3 3.59Å; M131-W136 VanDerWaalsContact SD-CE3 3.59Å; M131-W136 HydrophobicContact SD-CZ3 3.92Å
132K98.3Very high97Very high166 Ų16696.7 Ų96.772%0.72247%0.467SS*.Hα-helixtrans-64.8-24174.9-72180179-172.70112.8N128 A129 G134N128-K132 WeakPolarHBondContact O-CG 3.42Å; N128-K132 PolarHBondContact O-N 3.09Å; N128-K132 WeakPolarHBondContact OD1-CE 3.39Å; A129-K132 PolarHBondContact O-N 2.93Å; A129-K132 VanDerWaalsContact O-N 3.16Å; K132-G134 VanDerWaalsContact C-N 3.29Å
133E98Very high96.9Very high117 Ų11791.8 Ų91.855%0.54746%0.458SS..THydrogen-bonded Turntrans-87.77172.7-66.4172.7-126.300113A129 S130 M131 R135A129-E133 WeakPolarHBondContact O-CG 3.49Å; A129-E133 PolarHBondContact O-N 3.11Å; A129-E133 VanDerWaalsContact O-N 3.12Å; S130-E133 CarbonylContact O-C 3.52Å; S130-E133 PolarHBondContact O-N 3.14Å; M131-E133 PolarHBondContact O-N 3.12Å; E133-R135 VanDerWaalsContact C-N 3.34Å; E133-R135 PolarHBondContact O-N 3.44Å; E133-R135 IonicContact OE1-NH2 2.88Å; E133-R135 PolarHBondContact OE1-NH2 3Å; E133-R135 IonicContact OE2-CZ 3.27Å; E133-R135 IonicContact OE2-NH1 3.92Å; E133-R135 PolarHBondContact OE2-NH1 3.41Å; E133-R135 IonicContact OE2-NH2 2.88Å; E133-R135 PolarHBondContact OE2-NH2 2.86Å
134G97.9Very high96.9Very high71 Ų7191.2 Ų91.273%0.73246%0.458SS*.THydrogen-bonded Turntrans76.813.6177.400000114.9S130 M131 K132S130-G134 PolarHBondContact O-N 2.76Å; M131-G134 PolarHBondContact O-N 3.34Å; K132-G134 VanDerWaalsContact C-N 3.29Å
135R97.9Very high96.9Very high109 Ų10993.7 Ų93.741%0.41147%0.467SS..  trans-98.9124.9-177.6-63.1-169.8-64.5-106.7-4.8112.7S130 E133 N137S130-R135 WeakPolarHBondContact O-CB 3.41Å; S130-R135 PolarHBondContact O-N 2.88Å; S130-R135 WeakPolarHBondContact OG-CB 3.29Å; S130-R135 PolarHBondContact OG-O 3.37Å; E133-R135 VanDerWaalsContact C-N 3.34Å; E133-R135 PolarHBondContact O-N 3.44Å; E133-R135 IonicContact OE1-NH2 2.88Å; E133-R135 PolarHBondContact OE1-NH2 3Å; E133-R135 IonicContact OE2-CZ 3.27Å; E133-R135 IonicContact OE2-NH1 3.92Å; E133-R135 PolarHBondContact OE2-NH1 3.41Å; E133-R135 IonicContact OE2-NH2 2.88Å; E133-R135 PolarHBondContact OE2-NH2 2.86Å; R135-N137 PolarHBondContact O-N 3.5Å
136W97.1Very high96.9Very high185 Ų18591.7 Ų91.770%0.70145%0.454SS*.  trans-95.664.9179.2-164.5-97.8000113.2M131 R138M131-W136 HydrophobicContact CE-CE3 3.6Å; M131-W136 HydrophobicContact CE-CZ3 3.51Å; M131-W136 HydrophobicContact SD-CE3 3.59Å; M131-W136 VanDerWaalsContact SD-CE3 3.59Å; M131-W136 HydrophobicContact SD-CZ3 3.92Å; W136-R138 VanDerWaalsContact NE1-CD 3.33Å; W136-R138 PolarHBondContact O-N 3.3Å
137N94Very high96.9Very high67 Ų6794.9 Ų94.936%0.35847%0.472SS..  trans-91.459.6-169.3-65.3-20.6000114.1S130 R135 E139 H140 F141S130-N137 PolarHBondContact OG-ND2 2.8Å; R135-N137 PolarHBondContact O-N 3.5Å; N137-E139 PolarHBondContact O-N 2.81Å; N137-H140 HydrophobicContact CB-CB 4.04Å; N137-H140 PolarHBondContact O-N 2.85Å; N137-F141 HydrophobicContact CB-CD2 4.31Å; N137-F141 HydrophobicContact CB-CE2 3.83Å; N137-F141 WeakPolarHBondContact O-CD2 3.09Å
138R94.5Very high97Very high196 Ų19695.8 Ų95.874%0.7448%0.484SS*.THydrogen-bonded Turntrans-55.1-46.5-174.1-73.1177.562.4-166.90.9114.5W136 H140 F141W136-R138 VanDerWaalsContact NE1-CD 3.33Å; W136-R138 PolarHBondContact O-N 3.3Å; R138-H140 VanDerWaalsContact C-N 3.29Å; R138-H140 PolarHBondContact O-N 3.46Å; R138-F141 PolarHBondContact O-N 2.68Å
139E94Very high97Very high184 Ų18495.5 Ų95.586%0.8648%0.479SS*.G310 helixtrans-69.1-29.8-174.9-64.5176.8-177.300112.5N137 F141N137-E139 PolarHBondContact O-N 2.81Å; E139-F141 VanDerWaalsContact C-N 3.3Å; E139-F141 PolarHBondContact O-N 3.48Å
140H94.3Very high97.1Very high143 Ų14395.1 Ų95.166%0.66247%0.471SS*.G310 helixtrans-68.2-29-179.3-173.968.7000112.7N137 R138N137-H140 HydrophobicContact CB-CB 4.04Å; N137-H140 PolarHBondContact O-N 2.85Å; R138-H140 VanDerWaalsContact C-N 3.29Å; R138-H140 PolarHBondContact O-N 3.46Å
141F95.6Very high97.1Very high41 Ų4195 Ų9518%0.1847%0.47CS..G310 helixtrans-101.134.3-174.1-59.7-61.6000113.7N123 Q126 A127 N137 R138 E139 G143N123-F141 HydrophobicContact CB-CD1 4.02Å; Q126-F141 HydrophobicContact CB-CE1 3.84Å; A127-F141 HydrophobicContact CB-CB 4.37Å; A127-F141 HydrophobicContact CB-CD1 4.03Å; A127-F141 HydrophobicContact CB-CD2 3.83Å; A127-F141 HydrophobicContact CB-CE1 4.27Å; A127-F141 HydrophobicContact CB-CE2 4.08Å; A127-F141 HydrophobicContact CB-CG 3.82Å; A127-F141 HydrophobicContact CB-CZ 4.3Å; N137-F141 HydrophobicContact CB-CD2 4.31Å; N137-F141 HydrophobicContact CB-CE2 3.83Å; N137-F141 WeakPolarHBondContact O-CD2 3.09Å; R138-F141 PolarHBondContact O-N 2.68Å; E139-F141 VanDerWaalsContact C-N 3.3Å; E139-F141 PolarHBondContact O-N 3.48Å; F141-G143 PolarHBondContact O-N 2.97Å
142M96.2Very high97.1Very high159 Ų15990.5 Ų90.578%0.78345%0.448SS*.  trans-57.6115171.2-171.264.170.700109.8N123N123-M142 PolarHBondContact ND2-O 3.46Å
143G96.4Very high97.2Very high31 Ų3182.6 Ų82.632%0.3241%0.414SS..  trans-97.3179.5-179.800000112.7S121 F141S121-G143 CarbonylContact O-C 3.6Å; S121-G143 VanDerWaalsContact O-CA 3.29Å; S121-G143 WeakPolarHBondContact O-CA 3.22Å; F141-G143 PolarHBondContact O-N 2.97Å
144S97.1Very high97.2Very high28 Ų2877.1 Ų77.120%0.19639%0.388CS..  trans-112.7147.7167.5-173.70000110S121 R122S121-S144 PolarHBondContact O-N 2.92Å; S121-S144 PolarHBondContact OG-O 3.41Å; R122-S144 VanDerWaalsContact CD-O 3.32Å; R122-S144 WeakPolarHBondContact CD-O 3.48Å
145E98.2Very high97.2Very high144 Ų14473.8 Ų73.867%0.67335%0.353SS*.  trans-73.5148.6160.8-62.9-177.7154.100109.6K149E145-K149 WeakPolarHBondContact O-CG 3.32Å
146L98.6Very high97.1Very high8 Ų868.6 Ų68.64%0.04233%0.334CS..  trans-81.4-26.1168.4-65.7-172.9000111.7L117 M118 G148 K149 M167 M172 Y203L117-L146 HydrophobicContact CB-CD1 4.46Å; M118-L146 HydrophobicContact CG-CD1 4.11Å; M118-L146 HydrophobicContact SD-CD1 3.34Å; M118-L146 WeakPolarHBondContact SD-CD1 3.43Å; M118-L146 HydrophobicContact SD-CG 3.96Å; L146-G148 PolarHBondContact O-N 2.97Å; L146-K149 VanDerWaalsContact O-CB 3.24Å; L146-K149 WeakPolarHBondContact O-CB 3.42Å; L146-K149 WeakPolarHBondContact O-CG 3.39Å; L146-K149 PolarHBondContact O-N 3.1Å; L146-M167 HydrophobicContact CD1-SD 4.39Å; L146-M172 HydrophobicContact CB-CE 4.32Å; L146-M172 HydrophobicContact CB-CG 3.89Å; L146-M172 HydrophobicContact CB-SD 3.94Å; L146-M172 HydrophobicContact CD1-SD 3.97Å; L146-M172 HydrophobicContact CD2-CE 4.05Å; L146-M172 HydrophobicContact CD2-SD 4.25Å; L146-M172 HydrophobicContact CG-SD 4.29Å; L146-M172 WeakPolarHBondContact O-CG 3.48Å; L146-Y203 HydrophobicContact CD2-CD1 4.33Å; L146-Y203 HydrophobicContact CD2-CD2 4.35Å; L146-Y203 HydrophobicContact CD2-CE1 3.72Å; L146-Y203 HydrophobicContact CD2-CE2 3.82Å; L146-Y203 VanDerWaalsContact CD2-CZ 3.47Å
147N98.5Very high97Very high105 Ų10561.3 Ų61.356%0.56132%0.317SS*.THydrogen-bonded Turntrans-55129-179.3-178.857.2000111.3K149N147-K149 PolarHBondContact O-N 3.23Å
148G98.3Very high96.9Very high43 Ų4364.5 Ų64.544%0.44332%0.324SS..THydrogen-bonded Turntrans76.5-6.4-177.400000115.6L146 G171L146-G148 PolarHBondContact O-N 2.97Å; G148-G171 PolarHBondContact N-O 2.77Å
149K98.7Very high97Very high72 Ų7256.8 Ų56.831%0.31330%0.298SS..PPolyproline II helixtrans-80.3157.7176.4-58.5-61.8-175.7-178.20111.9E145 L146 N147 M172 Q173 D202 Y203E145-K149 WeakPolarHBondContact O-CG 3.32Å; L146-K149 VanDerWaalsContact O-CB 3.24Å; L146-K149 WeakPolarHBondContact O-CB 3.42Å; L146-K149 WeakPolarHBondContact O-CG 3.39Å; L146-K149 PolarHBondContact O-N 3.1Å; N147-K149 PolarHBondContact O-N 3.23Å; K149-M172 HydrophobicContact CB-CE 3.97Å; K149-M172 WeakPolarHBondContact O-CA 3.4Å; K149-Q173 PolarHBondContact O-N 2.83Å; K149-D202 WeakPolarHBondContact CA-OD2 3.4Å; K149-D202 HydrophobicContact CB-CB 4.23Å; K149-D202 HydrophobicContact CD-CB 4.4Å; K149-Y203 HydrophobicContact CB-CD2 4.26Å; K149-Y203 HydrophobicContact CB-CE2 4.02Å; K149-Y203 HydrophobicContact CG-CE2 4.12Å
150I98.8Very high97.2Very high32 Ų3248 Ų4816%0.16426%0.257CS..EExtended strand (participates in β ladder)trans-96.5121.3179.3-59.8172000109.8Q173 L175 D202 Y203I150-Q173 CarbonylContact C-O 3.56Å; I150-Q173 WeakPolarHBondContact CA-O 3.32Å; I150-Q173 HydrophobicContact CG1-CB 4.2Å; I150-L175 HydrophobicContact CG2-CD1 3.63Å; I150-L175 HydrophobicContact CG2-CG 3.74Å; I150-D202 PolarHBondContact N-OD2 3.02Å; I150-D202 PolarHBondContact O-N 3.13Å; I150-Y203 PolarHBondContact O-N 2.85Å; I150-Y203 VanDerWaalsContact O-N 3.08Å
151L98.9Very high97.3Very high0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-99.7117.7169.5178.460.4000109.8L117 L153 V163 M167 M172 Q173 V174 L175 Y203L117-L151 HydrophobicContact CD1-CD1 4.25Å; L117-L151 HydrophobicContact CD1-CD2 4.13Å; L117-L151 HydrophobicContact CD2-CD1 4.07Å; L151-L153 HydrophobicContact CD1-CD2 4.2Å; L151-L153 HydrophobicContact CD2-CD2 3.82Å; L151-L153 HydrophobicContact CD2-CG 4.5Å; L151-L153 HydrophobicContact CG-CD2 3.81Å; L151-L153 HydrophobicContact CG-CG 4.33Å; L151-V163 HydrophobicContact CD2-CG1 4.17Å; L151-M167 HydrophobicContact CD2-CB 3.63Å; L151-M167 HydrophobicContact CD2-CG 3.66Å; L151-M172 HydrophobicContact CB-CE 3.7Å; L151-M172 HydrophobicContact CB-SD 4.01Å; L151-M172 HydrophobicContact CD2-SD 4.24Å; L151-Q173 PolarHBondContact N-O 3.34Å; L151-V174 WeakPolarHBondContact O-CA 3.29Å; L151-L175 PolarHBondContact O-N 3.1Å; L151-Y203 CarbonylContact C-O 3.59Å; L151-Y203 WeakPolarHBondContact CA-O 3.34Å
152G98.8Very high97.4Very high0 Ų044.7 Ų44.70%024%0.242CC..EExtended strand (participates in β ladder)trans-91.4120.4168.600000111.4Y203 I204 S205G152-Y203 PolarHBondContact N-O 2.92Å; G152-I204 CarbonylContact O-C 3.58Å; G152-I204 VanDerWaalsContact O-CA 3.28Å; G152-I204 WeakPolarHBondContact O-CA 3.33Å; G152-S205 PolarHBondContact O-N 2.88Å
153L98.8Very high97.5Very high0 Ų037.1 Ų37.10%021%0.205CC..EExtended strand (participates in β ladder)trans-99.7117.3172.7-57.7-179.3000110L151 L156 G160 V163 A164 V174 L175 A176 Y177 L197L151-L153 HydrophobicContact CD1-CD2 4.2Å; L151-L153 HydrophobicContact CD2-CD2 3.82Å; L151-L153 HydrophobicContact CD2-CG 4.5Å; L151-L153 HydrophobicContact CG-CD2 3.81Å; L151-L153 HydrophobicContact CG-CG 4.33Å; L153-L156 HydrophobicContact CD1-CD1 4.24Å; L153-G160 WeakPolarHBondContact CD1-O 3.49Å; L153-V163 HydrophobicContact CD2-CG1 3.97Å; L153-A164 HydrophobicContact CD1-CB 3.73Å; L153-V174 HydrophobicContact CD1-CG1 3.68Å; L153-V174 HydrophobicContact CG-CG1 4.02Å; L153-L175 PolarHBondContact N-O 2.89Å; L153-A176 HydrophobicContact CB-CB 4.22Å; L153-A176 VanDerWaalsContact O-CA 3.31Å; L153-A176 WeakPolarHBondContact O-CA 3.49Å; L153-Y177 PolarHBondContact O-N 2.8Å; L153-L197 WeakPolarHBondContact O-CD1 3.14Å
154I98.6Very high97.6Very high1 Ų135.7 Ų35.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-91.3104.8168.6-64.1165.9000106.5Y177 F194 L197 I204 S205 L206 H207 V208 I218I154-Y177 HydrophobicContact CG2-CD1 4.45Å; I154-F194 HydrophobicContact CD1-CD2 4.5Å; I154-F194 HydrophobicContact CD1-CE2 3.7Å; I154-F194 HydrophobicContact CG1-CE2 4.17Å; I154-L197 HydrophobicContact CD1-CD2 4.36Å; I154-L197 HydrophobicContact CG1-CD1 4.28Å; I154-L197 HydrophobicContact CG1-CD2 4.06Å; I154-I204 HydrophobicContact CD1-CG2 3.64Å; I154-I204 HydrophobicContact CG1-CG2 4.19Å; I154-S205 PolarHBondContact N-O 3.03Å; I154-L206 HydrophobicContact CB-CD2 3.95Å; I154-L206 HydrophobicContact CD1-CD2 3.61Å; I154-L206 HydrophobicContact CG1-CD2 4.3Å; I154-L206 HydrophobicContact CG2-CD2 4.41Å; I154-H207 CarbonylContact O-C 3.58Å; I154-H207 WeakPolarHBondContact O-CA 3.45Å; I154-H207 PolarHBondContact O-N 3.4Å; I154-V208 HydrophobicContact CG2-CG1 3.95Å; I154-V208 HydrophobicContact CG2-CG2 4.47Å; I154-I218 HydrophobicContact CD1-CD1 3.9Å
155G97.5Very high97.6Very high1 Ų139.7 Ų39.71%0.0121%0.206CC..  trans97.6125.9-170.400000112.8Y177G155-Y177 PolarHBondContact N-O 2.91Å
156L96.7Very high97.6Very high0 Ų036.2 Ų36.20%019%0.186CC..  trans-119.140.6178.4-163.864.5000111.4L153 K161 A176 D178 I181 V185 V189 M191L153-L156 HydrophobicContact CD1-CD1 4.24Å; L156-K161 HydrophobicContact CD1-CG 4.16Å; L156-K161 HydrophobicContact CG-CG 4.08Å; L156-K161 WeakPolarHBondContact O-CE 3.42Å; L156-A176 HydrophobicContact CB-CB 4.31Å; L156-A176 HydrophobicContact CD1-CB 4.07Å; L156-A176 HydrophobicContact CD2-CB 4.06Å; L156-A176 HydrophobicContact CG-CB 4.38Å; L156-D178 HydrophobicContact CB-CB 4.19Å; L156-D178 PolarHBondContact N-OD2 3.08Å; L156-I181 HydrophobicContact CB-CD1 4.16Å; L156-I181 WeakPolarHBondContact O-CD1 3.45Å; L156-V185 HydrophobicContact CD2-CG2 3.64Å; L156-V185 HydrophobicContact CG-CG2 4.36Å; L156-V189 HydrophobicContact CD2-CG1 4.24Å; L156-M191 HydrophobicContact CD2-CE 4.06Å; L156-M191 HydrophobicContact CD2-SD 3.58Å; L156-M191 VanDerWaalsContact CD2-SD 3.58Å
157G93.9Very high97.6Very high33 Ų3335.9 Ų35.934%0.3418%0.184SC..SBendtrans-72.8-162.3171.400000113.6V159 G160 K161G157-V159 PolarHBondContact O-N 3.38Å; G157-G160 PolarHBondContact O-N 3.37Å; G157-K161 WeakPolarHBondContact O-CB 3.43Å; G157-K161 VanDerWaalsContact O-CG 3.31Å; G157-K161 WeakPolarHBondContact O-CG 3.11Å; G157-K161 PolarHBondContact O-N 3.45Å
158R93Very high97.6Very high134 Ų13433 Ų3351%0.50617%0.171SC..Hα-helixtrans-52.8-51.1-178.5-68.7-176.917885.5-6.1112.6E103 L162E103-R158 IonicContact OE1-CZ 2.6Å; E103-R158 IonicContact OE1-NE 2.99Å; E103-R158 PolarHBondContact OE1-NE 3.37Å; E103-R158 IonicContact OE1-NH2 3.62Å; E103-R158 PolarHBondContact OE1-NH2 3.45Å; R158-L162 WeakPolarHBondContact O-CG 3.4Å; R158-L162 PolarHBondContact O-N 3.25Å
159V96Very high97.6Very high33 Ų3335.1 Ų35.120%0.218%0.184CC..Hα-helixtrans-68.1-48.3-179.6-178.80000111A109 A110 G157 K161 L162 V163 H207A109-V159 HydrophobicContact CB-CG1 4.15Å; A109-V159 HydrophobicContact CB-CG2 4.04Å; A110-V159 HydrophobicContact CB-CG1 4.16Å; G157-V159 PolarHBondContact O-N 3.38Å; V159-K161 VanDerWaalsContact C-N 3.28Å; V159-K161 PolarHBondContact O-N 2.63Å; V159-L162 PolarHBondContact O-N 2.76Å; V159-L162 VanDerWaalsContact O-N 3.07Å; V159-V163 HydrophobicContact CG1-CG2 4.22Å; V159-V163 WeakPolarHBondContact O-CG2 3.31Å; V159-V163 PolarHBondContact O-N 3.13Å; V159-H207 WeakPolarHBondContact CG1-ND1 3.5Å
160G97.3Very high97.5Very high0 Ų036.6 Ų36.60%019%0.191CC..Hα-helixtrans-56.4-40.5179.600000112.9L153 G157 V163 A164L153-G160 WeakPolarHBondContact CD1-O 3.49Å; G157-G160 PolarHBondContact O-N 3.37Å; G160-V163 PolarHBondContact O-N 2.94Å; G160-A164 WeakPolarHBondContact O-CB 3.41Å; G160-A164 PolarHBondContact O-N 2.93Å
161K97.1Very high97.5Very high77 Ų7736.5 Ų36.534%0.33520%0.197SC..Hα-helixtrans-62.9-44.3174.8-71.7174.8-179.3-178.30112.7L156 G157 V159 V163 A164 E165 L186L156-K161 HydrophobicContact CD1-CG 4.16Å; L156-K161 HydrophobicContact CG-CG 4.08Å; L156-K161 WeakPolarHBondContact O-CE 3.42Å; G157-K161 WeakPolarHBondContact O-CB 3.43Å; G157-K161 VanDerWaalsContact O-CG 3.31Å; G157-K161 WeakPolarHBondContact O-CG 3.11Å; G157-K161 PolarHBondContact O-N 3.45Å; V159-K161 VanDerWaalsContact C-N 3.28Å; V159-K161 PolarHBondContact O-N 2.63Å; K161-V163 VanDerWaalsContact C-N 3.33Å; K161-V163 PolarHBondContact O-N 3.42Å; K161-A164 WeakPolarHBondContact O-CB 3.46Å; K161-A164 PolarHBondContact O-N 3.08Å; K161-E165 PolarHBondContact O-N 3.04Å; K161-L186 HydrophobicContact CB-CD1 3.97Å; K161-L186 HydrophobicContact CG-CD1 3.88Å
162L97.5Very high97.5Very high38 Ų3836.9 Ų36.920%0.19920%0.199CC..Hα-helixtrans-65.8-36.3178.1-70.4171000112.2I107 A110 R158 V159 R166I107-L162 HydrophobicContact CG1-CD1 4.24Å; A110-L162 HydrophobicContact CB-CB 3.58Å; A110-L162 HydrophobicContact CB-CD1 4.24Å; R158-L162 WeakPolarHBondContact O-CG 3.4Å; R158-L162 PolarHBondContact O-N 3.25Å; V159-L162 PolarHBondContact O-N 2.76Å; V159-L162 VanDerWaalsContact O-N 3.07Å; L162-R166 WeakPolarHBondContact O-CD 3.2Å; L162-R166 WeakPolarHBondContact O-CG 3.48Å; L162-R166 PolarHBondContact O-N 3.19Å; L162-R166 PolarHBondContact O-NH1 3.26Å
163V98.6Very high97.5Very high0 Ų042.5 Ų42.50%023%0.226CC..Hα-helixtrans-67.4-46173.3173.70000110.2A110 T113 L117 L151 L153 V159 G160 K161 E165 R166 M167A110-V163 HydrophobicContact CB-CG2 3.9Å; T113-V163 HydrophobicContact CG2-CG1 4.15Å; T113-V163 HydrophobicContact CG2-CG2 3.96Å; L117-V163 HydrophobicContact CD1-CG1 4.47Å; L151-V163 HydrophobicContact CD2-CG1 4.17Å; L153-V163 HydrophobicContact CD2-CG1 3.97Å; V159-V163 HydrophobicContact CG1-CG2 4.22Å; V159-V163 WeakPolarHBondContact O-CG2 3.31Å; V159-V163 PolarHBondContact O-N 3.13Å; G160-V163 PolarHBondContact O-N 2.94Å; K161-V163 VanDerWaalsContact C-N 3.33Å; K161-V163 PolarHBondContact O-N 3.42Å; V163-E165 PolarHBondContact O-N 3.24Å; V163-R166 PolarHBondContact O-N 2.93Å; V163-M167 HydrophobicContact CG1-CG 3.91Å; V163-M167 WeakPolarHBondContact O-CB 3.35Å; V163-M167 VanDerWaalsContact O-CG 3.29Å; V163-M167 WeakPolarHBondContact O-CG 3.45Å; V163-M167 PolarHBondContact O-N 2.87Å
164A98.4Very high97.5Very high0 Ų042.7 Ų42.70%023%0.227CC..Hα-helixtrans-56.5-48.1177.900000112.3L153 G160 K161 T168 V174 L186 V189L153-A164 HydrophobicContact CD1-CB 3.73Å; G160-A164 WeakPolarHBondContact O-CB 3.41Å; G160-A164 PolarHBondContact O-N 2.93Å; K161-A164 WeakPolarHBondContact O-CB 3.46Å; K161-A164 PolarHBondContact O-N 3.08Å; A164-T168 VanDerWaalsContact O-CB 3.31Å; A164-T168 WeakPolarHBondContact O-CB 3.32Å; A164-T168 PolarHBondContact O-N 3.21Å; A164-T168 PolarHBondContact O-OG1 2.92Å; A164-V174 HydrophobicContact CB-CG1 3.97Å; A164-L186 HydrophobicContact CB-CD1 4.09Å; A164-V189 HydrophobicContact CB-CG2 3.62Å
165E97.8Very high97.5Very high113 Ų11343.5 Ų43.553%0.52823%0.231SC..Hα-helixtrans-57.2-50.6176.9-175.4-172.7173.200111.9K161 V163 A169K161-E165 PolarHBondContact O-N 3.04Å; V163-E165 PolarHBondContact O-N 3.24Å; E165-A169 PolarHBondContact O-N 3.4Å
166R98.4Very high97.5Very high70 Ų7043.5 Ų43.526%0.26423%0.231SC..Hα-helixtrans-66-46.6-178.9-72.3162179.662.14.7111.6L162 V163 T168 A169 F170L162-R166 WeakPolarHBondContact O-CD 3.2Å; L162-R166 WeakPolarHBondContact O-CG 3.48Å; L162-R166 PolarHBondContact O-N 3.19Å; L162-R166 PolarHBondContact O-NH1 3.26Å; V163-R166 PolarHBondContact O-N 2.93Å; R166-T168 VanDerWaalsContact C-N 3.33Å; R166-T168 PolarHBondContact O-N 3.33Å; R166-A169 WeakPolarHBondContact O-CA 3.38Å; R166-A169 VanDerWaalsContact O-CB 3.31Å; R166-A169 WeakPolarHBondContact O-CB 3.2Å; R166-A169 PolarHBondContact O-N 2.73Å; R166-F170 WeakPolarHBondContact O-CD2 3.42Å; R166-F170 PolarHBondContact O-N 3.09Å
167M98.6Very high97.6Very high1 Ų146.6 Ų46.61%0.00524%0.243CC..Hα-helixtrans-73.4-26-175.8-61.7-58.886.200112.8C114 L117 L146 L151 V163 A169 F170 M172C114-M167 HydrophobicContact CB-CE 3.67Å; C114-M167 HydrophobicContact CB-SD 4.25Å; C114-M167 WeakPolarHBondContact SG-CE 3.22Å; L117-M167 HydrophobicContact CD1-CG 3.93Å; L117-M167 HydrophobicContact CD1-SD 3.77Å; L146-M167 HydrophobicContact CD1-SD 4.39Å; L151-M167 HydrophobicContact CD2-CB 3.63Å; L151-M167 HydrophobicContact CD2-CG 3.66Å; V163-M167 HydrophobicContact CG1-CG 3.91Å; V163-M167 WeakPolarHBondContact O-CB 3.35Å; V163-M167 VanDerWaalsContact O-CG 3.29Å; V163-M167 WeakPolarHBondContact O-CG 3.45Å; V163-M167 PolarHBondContact O-N 2.87Å; M167-A169 VanDerWaalsContact C-N 3.3Å; M167-A169 PolarHBondContact O-N 3.4Å; M167-F170 HydrophobicContact CE-CD2 3.51Å; M167-F170 HydrophobicContact CE-CE2 3.78Å; M167-F170 HydrophobicContact CE-CG 4.17Å; M167-F170 PolarHBondContact O-N 3.15Å; M167-F170 VanDerWaalsContact O-N 3.16Å; M167-M172 HydrophobicContact CB-CB 4.48Å; M167-M172 HydrophobicContact CB-CG 4.42Å; M167-M172 HydrophobicContact CB-SD 4Å; M167-M172 HydrophobicContact CG-SD 4.43Å; M167-M172 WeakPolarHBondContact O-CB 3.47Å; M167-M172 PolarHBondContact O-N 3.14Å; M167-M172 VanDerWaalsContact O-N 3.15Å; M167-M172 HydrophobicContact SD-SD 4.42Å
168T98.3Very high97.7Very high45 Ų4546.2 Ų46.228%0.27623%0.233SC..Hα-helixtrans-61-40.7165.9-57.40000110.9A164 R166 F170 G171 Q188A164-T168 VanDerWaalsContact O-CB 3.31Å; A164-T168 WeakPolarHBondContact O-CB 3.32Å; A164-T168 PolarHBondContact O-N 3.21Å; A164-T168 PolarHBondContact O-OG1 2.92Å; R166-T168 VanDerWaalsContact C-N 3.33Å; R166-T168 PolarHBondContact O-N 3.33Å; T168-F170 PolarHBondContact O-N 2.84Å; T168-G171 WeakPolarHBondContact O-CA 3.47Å; T168-G171 PolarHBondContact O-N 3.05Å; T168-Q188 HydrophobicContact CG2-CB 3.84Å; T168-Q188 HydrophobicContact CG2-CG 3.95Å; T168-Q188 WeakPolarHBondContact OG1-CG 3.48Å
169A97.8Very high97.7Very high88 Ų8844 Ų4473%0.72724%0.236SC*.Hα-helixtrans-66.6-20176.600000113.5E165 R166 M167E165-A169 PolarHBondContact O-N 3.4Å; R166-A169 WeakPolarHBondContact O-CA 3.38Å; R166-A169 VanDerWaalsContact O-CB 3.31Å; R166-A169 WeakPolarHBondContact O-CB 3.2Å; R166-A169 PolarHBondContact O-N 2.73Å; M167-A169 VanDerWaalsContact C-N 3.3Å; M167-A169 PolarHBondContact O-N 3.4Å
170F97.9Very high97.4Very high103 Ų10346.8 Ų46.845%0.45226%0.263SS..THydrogen-bonded Turntrans-84.46.3169.8-80.9-102.8000113.2M118 R166 M167 T168M118-F170 HydrophobicContact CE-CD1 4.34Å; M118-F170 HydrophobicContact CE-CE1 3.84Å; M118-F170 HydrophobicContact CG-CE1 4.25Å; M118-F170 HydrophobicContact SD-CD1 3.81Å; M118-F170 HydrophobicContact SD-CE1 3.68Å; R166-F170 WeakPolarHBondContact O-CD2 3.42Å; R166-F170 PolarHBondContact O-N 3.09Å; M167-F170 HydrophobicContact CE-CD2 3.51Å; M167-F170 HydrophobicContact CE-CE2 3.78Å; M167-F170 HydrophobicContact CE-CG 4.17Å; M167-F170 PolarHBondContact O-N 3.15Å; M167-F170 VanDerWaalsContact O-N 3.16Å; T168-F170 PolarHBondContact O-N 2.84Å
171G98.4Very high97Very high29 Ų2948.3 Ų48.330%0.29927%0.27SS..THydrogen-bonded Turntrans78.116.4179.300000114.3G148 T168G148-G171 PolarHBondContact N-O 2.77Å; T168-G171 WeakPolarHBondContact O-CA 3.47Å; T168-G171 PolarHBondContact O-N 3.05Å
172M98.8Very high96.1Very high8 Ų853.1 Ų53.14%0.03929%0.291CS..  trans-77147.5173.4-58-165.981.800111.2L146 K149 L151 M167 Y203L146-M172 HydrophobicContact CB-CE 4.32Å; L146-M172 HydrophobicContact CB-CG 3.89Å; L146-M172 HydrophobicContact CB-SD 3.94Å; L146-M172 HydrophobicContact CD1-SD 3.97Å; L146-M172 HydrophobicContact CD2-CE 4.05Å; L146-M172 HydrophobicContact CD2-SD 4.25Å; L146-M172 HydrophobicContact CG-SD 4.29Å; L146-M172 WeakPolarHBondContact O-CG 3.48Å; K149-M172 HydrophobicContact CB-CE 3.97Å; K149-M172 WeakPolarHBondContact O-CA 3.4Å; L151-M172 HydrophobicContact CB-CE 3.7Å; L151-M172 HydrophobicContact CB-SD 4.01Å; L151-M172 HydrophobicContact CD2-SD 4.24Å; M167-M172 HydrophobicContact CB-CB 4.48Å; M167-M172 HydrophobicContact CB-CG 4.42Å; M167-M172 HydrophobicContact CB-SD 4Å; M167-M172 HydrophobicContact CG-SD 4.43Å; M167-M172 WeakPolarHBondContact O-CB 3.47Å; M167-M172 PolarHBondContact O-N 3.14Å; M167-M172 VanDerWaalsContact O-N 3.15Å; M167-M172 HydrophobicContact SD-SD 4.42Å; M172-Y203 HydrophobicContact CE-CD2 3.73Å; M172-Y203 HydrophobicContact CE-CE2 4.32Å; M172-Y203 HydrophobicContact CE-CG 4.21Å
173Q98.6Very high95.3Very high118 Ų11856.4 Ų56.455%0.55131%0.313SS*.EExtended strand (participates in β ladder)trans-85.1123.2164.4-64.5178.160.400108.6K149 I150 L151K149-Q173 PolarHBondContact O-N 2.83Å; I150-Q173 CarbonylContact C-O 3.56Å; I150-Q173 WeakPolarHBondContact CA-O 3.32Å; I150-Q173 HydrophobicContact CG1-CB 4.2Å; L151-Q173 PolarHBondContact N-O 3.34Å
174V98.5Very high94.5Very high5 Ų560.4 Ų60.43%0.0334%0.335CS..EExtended strand (participates in β ladder)trans-104.6119.4-174.7-174.70000111L151 L153 A164 V189 R190L151-V174 WeakPolarHBondContact O-CA 3.29Å; L153-V174 HydrophobicContact CD1-CG1 3.68Å; L153-V174 HydrophobicContact CG-CG1 4.02Å; A164-V174 HydrophobicContact CB-CG1 3.97Å; V174-V189 HydrophobicContact CB-CG2 4.28Å; V174-V189 HydrophobicContact CG1-CG1 4.24Å; V174-V189 HydrophobicContact CG1-CG2 3.98Å; V174-R190 PolarHBondContact O-N 2.54Å
175L98.3Very high94Very high18 Ų1863.3 Ų63.39%0.09435%0.352CS..EExtended strand (participates in β ladder)trans-102.7147.2168-53.8-175.8000109.1I150 L151 L153 R190 V192 T200I150-L175 HydrophobicContact CG2-CD1 3.63Å; I150-L175 HydrophobicContact CG2-CG 3.74Å; L151-L175 PolarHBondContact O-N 3.1Å; L153-L175 PolarHBondContact N-O 2.89Å; L175-R190 WeakPolarHBondContact CA-O 2.97Å; L175-R190 HydrophobicContact CD2-CB 3.78Å; L175-R190 HydrophobicContact CD2-CG 4.21Å; L175-V192 HydrophobicContact CB-CG2 4Å; L175-V192 HydrophobicContact CD1-CG2 4.48Å; L175-V192 HydrophobicContact CD2-CG1 4.29Å; L175-T200 WeakPolarHBondContact CD1-OG1 3.42Å
176A98.3Very high93.6Very high0 Ų059.6 Ų59.60%034%0.336CS..EExtended strand (participates in β ladder)trans-138.5142.2173.900000112.3L153 L156 V189 R190 M191 V192L153-A176 HydrophobicContact CB-CB 4.22Å; L153-A176 VanDerWaalsContact O-CA 3.31Å; L153-A176 WeakPolarHBondContact O-CA 3.49Å; L156-A176 HydrophobicContact CB-CB 4.31Å; L156-A176 HydrophobicContact CD1-CB 4.07Å; L156-A176 HydrophobicContact CD2-CB 4.06Å; L156-A176 HydrophobicContact CG-CB 4.38Å; A176-V189 HydrophobicContact CB-CG1 3.55Å; A176-R190 PolarHBondContact N-O 3.46Å; A176-M191 HydrophobicContact CB-CE 4.13Å; A176-M191 HydrophobicContact CB-SD 3.9Å; A176-M191 WeakPolarHBondContact O-CA 3.43Å; A176-V192 PolarHBondContact O-N 2.99Å
177Y97.7Very high93.3Very high65 Ų6562.1 Ų62.126%0.25536%0.361SS..EExtended strand (participates in β ladder)trans-118.3126.1168.5168.8-102.3000108.8L153 I154 G155 P179 F194L153-Y177 PolarHBondContact O-N 2.8Å; I154-Y177 HydrophobicContact CG2-CD1 4.45Å; G155-Y177 PolarHBondContact N-O 2.91Å; Y177-P179 HydrophobicContact CE1-CG 4.07Å; Y177-F194 HydrophobicContact CD1-CB 4.18Å; Y177-F194 AromaticContact CD1-CD2 3.68Å; Y177-F194 HydrophobicContact CD1-CD2 3.68Å; Y177-F194 HydrophobicContact CD1-CG 4.37Å; Y177-F194 HydrophobicContact CD2-CB 3.95Å; Y177-F194 HydrophobicContact CE1-CB 4.09Å; Y177-F194 AromaticContact CE1-CD2 3.86Å; Y177-F194 HydrophobicContact CE1-CD2 3.86Å; Y177-F194 HydrophobicContact CE1-CG 4.29Å; Y177-F194 HydrophobicContact CE2-CB 3.86Å; Y177-F194 HydrophobicContact CG-CB 4.1Å; Y177-F194 HydrophobicContact CG-CD2 4.21Å
178D96.6Very high93.1Very high26 Ų2665.4 Ų65.414%0.13938%0.377CS..  trans-150.6118.6174.7-170.2-53000109.2L156 A180 I181 M191L156-D178 HydrophobicContact CB-CB 4.19Å; L156-D178 PolarHBondContact N-OD2 3.08Å; D178-A180 PolarHBondContact O-N 3.14Å; D178-A180 WeakPolarHBondContact OD1-CA 3.46Å; D178-A180 WeakPolarHBondContact OD1-CB 3.39Å; D178-A180 PolarHBondContact OD1-N 3.37Å; D178-I181 HydrophobicContact CB-CB 3.99Å; D178-I181 HydrophobicContact CB-CG1 4.46Å; D178-I181 CarbonylContact O-C 3.35Å; D178-I181 PolarHBondContact O-N 3.19Å; D178-I181 PolarHBondContact OD1-N 3.44Å; D178-I181 VanDerWaalsContact OD1-N 3.16Å; D178-M191 HydrophobicContact CB-CE 4.27Å
179P92.7Very high93Very high86 Ų8663.4 Ų63.456%0.55836%0.364SS*.SBendtrans-59.4-29.4-178.9-24.532.9000114.2Y177Y177-P179 HydrophobicContact CE1-CG 4.07Å
180A90.3Very high93Very high92 Ų9267.7 Ų67.776%0.7636%0.361SS*.SBendtrans-90.7-21.4-17700000112.8D178D178-A180 PolarHBondContact O-N 3.14Å; D178-A180 WeakPolarHBondContact OD1-CA 3.46Å; D178-A180 WeakPolarHBondContact OD1-CB 3.39Å; D178-A180 PolarHBondContact OD1-N 3.37Å
181I88Confident92.9Very high32 Ų3264.8 Ų64.816%0.16435%0.35CS..  trans-113.595.2-178.6-55.3174.6000109.1L156 D178 T183 V185 M191L156-I181 HydrophobicContact CB-CD1 4.16Å; L156-I181 WeakPolarHBondContact O-CD1 3.45Å; D178-I181 HydrophobicContact CB-CB 3.99Å; D178-I181 HydrophobicContact CB-CG1 4.46Å; D178-I181 CarbonylContact O-C 3.35Å; D178-I181 PolarHBondContact O-N 3.19Å; D178-I181 PolarHBondContact OD1-N 3.44Å; D178-I181 VanDerWaalsContact OD1-N 3.16Å; I181-T183 WeakPolarHBondContact CG2-O 3.47Å; I181-V185 HydrophobicContact CG2-CG1 3.76Å; I181-V185 HydrophobicContact CG2-CG2 3.92Å; I181-M191 HydrophobicContact CB-CE 4.49Å; I181-M191 HydrophobicContact CG2-CE 4.32Å; I181-M191 WeakPolarHBondContact O-CE 3.4Å
182K79.2Confident92.8Very high178 Ų17864.7 Ų64.777%0.77434%0.344SS*.  trans-94.3-25.2178.4-62.3-173.5-179.8-177.80113.4
183T80.7Confident92.8Very high107 Ų10768.4 Ų68.466%0.65636%0.363SS*.SBendtrans-90.7147178.851.10000110.4I181 V185I181-T183 WeakPolarHBondContact CG2-O 3.47Å; T183-V185 PolarHBondContact O-N 2.92Å
184N80.6Confident92.7Very high85 Ų8564.2 Ų64.246%0.45534%0.344SS..  trans-69.1108.6177.7-168.27.5000110.5L186 V189N184-L186 VanDerWaalsContact CG-O 3.26Å; N184-L186 PolarHBondContact ND2-O 2.91Å; N184-L186 VanDerWaalsContact ND2-O 3.13Å; N184-L186 VanDerWaalsContact OD1-C 3.31Å; N184-L186 PolarHBondContact OD1-N 2.91Å; N184-L186 VanDerWaalsContact OD1-N 3.09Å; N184-L186 PolarHBondContact OD1-O 3.25Å; N184-V189 VanDerWaalsContact CG-O 3.27Å; N184-V189 PolarHBondContact ND2-O 2.92Å; N184-V189 PolarHBondContact OD1-O 2.79Å; N184-V189 VanDerWaalsContact OD1-O 3.13Å
185V87.5Confident92.7Very high61 Ų6167.4 Ų67.437%0.3736%0.36SS..SBendtrans-90.4-10.4177.9-66.30000113L156 I181 T183L156-V185 HydrophobicContact CD2-CG2 3.64Å; L156-V185 HydrophobicContact CG-CG2 4.36Å; I181-V185 HydrophobicContact CG2-CG1 3.76Å; I181-V185 HydrophobicContact CG2-CG2 3.92Å; T183-V185 PolarHBondContact O-N 2.92Å
186L90.6Very high92.7Very high35 Ų3568.7 Ų68.718%0.18337%0.371CS..SBendtrans-138.9114.9179.1-71.7179.2000109.6K161 A164 N184 Q188 V189K161-L186 HydrophobicContact CB-CD1 3.97Å; K161-L186 HydrophobicContact CG-CD1 3.88Å; A164-L186 HydrophobicContact CB-CD1 4.09Å; N184-L186 VanDerWaalsContact CG-O 3.26Å; N184-L186 PolarHBondContact ND2-O 2.91Å; N184-L186 VanDerWaalsContact ND2-O 3.13Å; N184-L186 VanDerWaalsContact OD1-C 3.31Å; N184-L186 PolarHBondContact OD1-N 2.91Å; N184-L186 VanDerWaalsContact OD1-N 3.09Å; N184-L186 PolarHBondContact OD1-O 3.25Å; L186-Q188 PolarHBondContact O-N 3.4Å; L186-V189 HydrophobicContact CB-CB 4.12Å; L186-V189 HydrophobicContact CB-CG2 3.78Å; L186-V189 HydrophobicContact CD1-CG2 3.97Å; L186-V189 PolarHBondContact O-N 3.31Å
187P92.9Very high92.7Very high122 Ų12268.7 Ų68.779%0.79237%0.371SS*.THydrogen-bonded Turntrans-56.6-28.1-171.322.6-33.8000114.4
188Q93.3Very high92.8Very high71 Ų7165.6 Ų65.633%0.33236%0.359SS..THydrogen-bonded Turntrans-80.9-9.417870.1-84.525.100115.1T168 L186T168-Q188 HydrophobicContact CG2-CB 3.84Å; T168-Q188 HydrophobicContact CG2-CG 3.95Å; T168-Q188 WeakPolarHBondContact OG1-CG 3.48Å; L186-Q188 PolarHBondContact O-N 3.4Å
189V96.9Very high92.9Very high3 Ų367.1 Ų67.12%0.01837%0.372CS..EExtended strand (participates in β ladder)trans-102.6133.3-179.7179.90000109.6L156 A164 V174 A176 N184 L186 M191L156-V189 HydrophobicContact CD2-CG1 4.24Å; A164-V189 HydrophobicContact CB-CG2 3.62Å; V174-V189 HydrophobicContact CB-CG2 4.28Å; V174-V189 HydrophobicContact CG1-CG1 4.24Å; V174-V189 HydrophobicContact CG1-CG2 3.98Å; A176-V189 HydrophobicContact CB-CG1 3.55Å; N184-V189 VanDerWaalsContact CG-O 3.27Å; N184-V189 PolarHBondContact ND2-O 2.92Å; N184-V189 PolarHBondContact OD1-O 2.79Å; N184-V189 VanDerWaalsContact OD1-O 3.13Å; L186-V189 HydrophobicContact CB-CB 4.12Å; L186-V189 HydrophobicContact CB-CG2 3.78Å; L186-V189 HydrophobicContact CD1-CG2 3.97Å; L186-V189 PolarHBondContact O-N 3.31Å; V189-M191 HydrophobicContact CG1-SD 4.19Å
190R96.5Very high93.1Very high177 Ų17765 Ų6567%0.66836%0.357SS*.EExtended strand (participates in β ladder)trans-98116.8170.8-178.3-178.5175.3-179-1.5109.9V174 L175 A176 V192V174-R190 PolarHBondContact O-N 2.54Å; L175-R190 WeakPolarHBondContact CA-O 2.97Å; L175-R190 HydrophobicContact CD2-CB 3.78Å; L175-R190 HydrophobicContact CD2-CG 4.21Å; A176-R190 PolarHBondContact N-O 3.46Å; R190-V192 HydrophobicContact CG-CG1 4.07Å
191M97Very high93.5Very high42 Ų4260.6 Ų60.621%0.20732%0.321CS..EExtended strand (participates in β ladder)trans-70.8131.7170.8-57.9-48.8-68.900110.2L156 A176 D178 I181 V189L156-M191 HydrophobicContact CD2-CE 4.06Å; L156-M191 HydrophobicContact CD2-SD 3.58Å; L156-M191 VanDerWaalsContact CD2-SD 3.58Å; A176-M191 HydrophobicContact CB-CE 4.13Å; A176-M191 HydrophobicContact CB-SD 3.9Å; A176-M191 WeakPolarHBondContact O-CA 3.43Å; D178-M191 HydrophobicContact CB-CE 4.27Å; I181-M191 HydrophobicContact CB-CE 4.49Å; I181-M191 HydrophobicContact CG2-CE 4.32Å; I181-M191 WeakPolarHBondContact O-CE 3.4Å; V189-M191 HydrophobicContact CG1-SD 4.19Å
192V96.9Very high94.1Very high28 Ų2860.8 Ų60.817%0.1732%0.322CS..  trans-139164.7178.5-63.80000110.2L175 A176 R190 L197L175-V192 HydrophobicContact CB-CG2 4Å; L175-V192 HydrophobicContact CD1-CG2 4.48Å; L175-V192 HydrophobicContact CD2-CG1 4.29Å; A176-V192 PolarHBondContact O-N 2.99Å; R190-V192 HydrophobicContact CG-CG1 4.07Å; V192-L197 HydrophobicContact CG2-CB 3.86Å
193D96.9Very high95Very high85 Ų8552.4 Ų52.446%0.45529%0.286SS..  trans-72.8166.4168.466.780.5000111.7D195 S196 L197D193-D195 PolarHBondContact O-N 3.37Å; D193-D195 PolarHBondContact OD1-N 3.3Å; D193-D195 VanDerWaalsContact OD1-N 3.12Å; D193-S196 VanDerWaalsContact CG-OG 3.29Å; D193-S196 PolarHBondContact O-N 2.88Å; D193-S196 WeakPolarHBondContact OD1-CB 3.44Å; D193-S196 PolarHBondContact OD1-N 3.42Å; D193-S196 PolarHBondContact OD1-OG 3.41Å; D193-S196 WeakPolarHBondContact OD2-CB 3.46Å; D193-S196 PolarHBondContact OD2-OG 3.11Å; D193-L197 PolarHBondContact O-N 3.38Å
194F98Very high95.9Very high31 Ų3147.3 Ų47.314%0.13626%0.255CS..Hα-helixtrans-60.6-45.9-174.6-174.6-115.4000112.6I154 Y177 L197 L198 I217 T222I154-F194 HydrophobicContact CD1-CD2 4.5Å; I154-F194 HydrophobicContact CD1-CE2 3.7Å; I154-F194 HydrophobicContact CG1-CE2 4.17Å; Y177-F194 HydrophobicContact CD1-CB 4.18Å; Y177-F194 AromaticContact CD1-CD2 3.68Å; Y177-F194 HydrophobicContact CD1-CD2 3.68Å; Y177-F194 HydrophobicContact CD1-CG 4.37Å; Y177-F194 HydrophobicContact CD2-CB 3.95Å; Y177-F194 HydrophobicContact CE1-CB 4.09Å; Y177-F194 AromaticContact CE1-CD2 3.86Å; Y177-F194 HydrophobicContact CE1-CD2 3.86Å; Y177-F194 HydrophobicContact CE1-CG 4.29Å; Y177-F194 HydrophobicContact CE2-CB 3.86Å; Y177-F194 HydrophobicContact CG-CB 4.1Å; Y177-F194 HydrophobicContact CG-CD2 4.21Å; F194-L197 WeakPolarHBondContact O-CB 3.39Å; F194-L197 PolarHBondContact O-N 2.93Å; F194-L198 HydrophobicContact CD1-CD1 3.97Å; F194-L198 HydrophobicContact CE1-CD1 3.55Å; F194-L198 HydrophobicContact CE1-CG 4.3Å; F194-L198 HydrophobicContact CE2-CD2 4.34Å; F194-L198 HydrophobicContact CZ-CD1 3.86Å; F194-L198 HydrophobicContact CZ-CD2 4.2Å; F194-L198 HydrophobicContact CZ-CG 4.27Å; F194-L198 WeakPolarHBondContact O-CG 3.48Å; F194-L198 PolarHBondContact O-N 3.22Å; F194-I217 HydrophobicContact CE1-CG1 4.33Å; F194-I217 HydrophobicContact CE2-CD1 3.83Å; F194-I217 HydrophobicContact CE2-CG1 4.22Å; F194-I217 HydrophobicContact CZ-CD1 3.83Å; F194-I217 HydrophobicContact CZ-CG1 3.71Å; F194-T222 HydrophobicContact CE1-CG2 3.74Å; F194-T222 HydrophobicContact CZ-CG2 4.17Å
195D98.2Very high96.7Very high71 Ų7143.3 Ų43.338%0.3823%0.233SC..Hα-helixtrans-71.2-36.6-176.6-78.5-7.6000111.8D193 L197 L198 S199 K225D193-D195 PolarHBondContact O-N 3.37Å; D193-D195 PolarHBondContact OD1-N 3.3Å; D193-D195 VanDerWaalsContact OD1-N 3.12Å; D195-L197 VanDerWaalsContact C-N 3.3Å; D195-L197 PolarHBondContact O-N 2.85Å; D195-L198 PolarHBondContact O-N 3.36Å; D195-S199 WeakPolarHBondContact O-CB 3.21Å; D195-S199 PolarHBondContact O-N 3.25Å; D195-S199 PolarHBondContact O-OG 3.06Å; D195-K225 WeakPolarHBondContact OD1-CD 3.12Å; D195-K225 IonicContact OD1-NZ 2.8Å; D195-K225 PolarHBondContact OD1-NZ 2.99Å; D195-K225 IonicContact OD2-NZ 2.75Å; D195-K225 PolarHBondContact OD2-NZ 3.26Å
196S98.3Very high97.3Very high45 Ų4540.6 Ų40.632%0.31522%0.216SC..Hα-helixtrans-60.3-39.8170.5-71.50000111.8D193 S199 T200D193-S196 VanDerWaalsContact CG-OG 3.29Å; D193-S196 PolarHBondContact O-N 2.88Å; D193-S196 WeakPolarHBondContact OD1-CB 3.44Å; D193-S196 PolarHBondContact OD1-N 3.42Å; D193-S196 PolarHBondContact OD1-OG 3.41Å; D193-S196 WeakPolarHBondContact OD2-CB 3.46Å; D193-S196 PolarHBondContact OD2-OG 3.11Å; S196-S199 PolarHBondContact O-OG 3.07Å; S196-T200 WeakPolarHBondContact O-CB 3.35Å; S196-T200 VanDerWaalsContact O-CG2 3.3Å; S196-T200 WeakPolarHBondContact O-CG2 3.06Å; S196-T200 PolarHBondContact O-N 2.91Å; S196-T200 PolarHBondContact O-OG1 2.92Å
197L98.6Very high97.6Very high0 Ų040.1 Ų40.10%021%0.213CC..Hα-helixtrans-64.1-51.7175.7-174.1154.4000111L153 I154 V192 D193 F194 D195 S199 T200 A201 I204L153-L197 WeakPolarHBondContact O-CD1 3.14Å; I154-L197 HydrophobicContact CD1-CD2 4.36Å; I154-L197 HydrophobicContact CG1-CD1 4.28Å; I154-L197 HydrophobicContact CG1-CD2 4.06Å; V192-L197 HydrophobicContact CG2-CB 3.86Å; D193-L197 PolarHBondContact O-N 3.38Å; F194-L197 WeakPolarHBondContact O-CB 3.39Å; F194-L197 PolarHBondContact O-N 2.93Å; D195-L197 VanDerWaalsContact C-N 3.3Å; D195-L197 PolarHBondContact O-N 2.85Å; L197-S199 PolarHBondContact O-N 2.81Å; L197-T200 PolarHBondContact O-N 3.44Å; L197-T200 PolarHBondContact O-OG1 3.29Å; L197-A201 HydrophobicContact CD2-CB 4.5Å; L197-A201 VanDerWaalsContact O-CB 3.25Å; L197-A201 WeakPolarHBondContact O-CB 3.29Å; L197-A201 PolarHBondContact O-N 3.3Å; L197-I204 HydrophobicContact CD2-CD1 4.17Å; L197-I204 HydrophobicContact CD2-CG1 4.07Å; L197-I204 HydrophobicContact CD2-CG2 4.33Å
198L98.8Very high97.7Very high0 Ų035.3 Ų35.30%018%0.181CC..Hα-helixtrans-57.8-48.3-178.5-63.9-179.1000111.5F194 D195 T200 I204 T222 K225 C226F194-L198 HydrophobicContact CD1-CD1 3.97Å; F194-L198 HydrophobicContact CE1-CD1 3.55Å; F194-L198 HydrophobicContact CE1-CG 4.3Å; F194-L198 HydrophobicContact CE2-CD2 4.34Å; F194-L198 HydrophobicContact CZ-CD1 3.86Å; F194-L198 HydrophobicContact CZ-CD2 4.2Å; F194-L198 HydrophobicContact CZ-CG 4.27Å; F194-L198 WeakPolarHBondContact O-CG 3.48Å; F194-L198 PolarHBondContact O-N 3.22Å; D195-L198 PolarHBondContact O-N 3.36Å; L198-T200 PolarHBondContact O-N 3.48Å; L198-I204 HydrophobicContact CD2-CD1 3.79Å; L198-T222 HydrophobicContact CD1-CG2 4.05Å; L198-K225 HydrophobicContact CB-CB 4.25Å; L198-K225 HydrophobicContact CD1-CB 4.14Å; L198-K225 HydrophobicContact CD1-CD 4.22Å; L198-C226 VanDerWaalsContact O-CA 3.32Å; L198-C226 WeakPolarHBondContact O-CA 3.41Å
199S98.5Very high97.7Very high59 Ų5936.2 Ų36.241%0.41319%0.193SC..Hα-helixtrans-73-10-174.859.50000115.1D195 S196 L197 K225 R227D195-S199 WeakPolarHBondContact O-CB 3.21Å; D195-S199 PolarHBondContact O-N 3.25Å; D195-S199 PolarHBondContact O-OG 3.06Å; S196-S199 PolarHBondContact O-OG 3.07Å; L197-S199 PolarHBondContact O-N 2.81Å; S199-K225 WeakPolarHBondContact CA-O 3.46Å; S199-R227 WeakPolarHBondContact O-CG 3.45Å; S199-R227 PolarHBondContact O-NE 3.14Å
200T98.5Very high97.5Very high41 Ų4138.5 Ų38.525%0.25221%0.205SC..Hα-helixtrans-118.5-28.3-17660.30000114.6L175 S196 L197 L198 R227L175-T200 WeakPolarHBondContact CD1-OG1 3.42Å; S196-T200 WeakPolarHBondContact O-CB 3.35Å; S196-T200 VanDerWaalsContact O-CG2 3.3Å; S196-T200 WeakPolarHBondContact O-CG2 3.06Å; S196-T200 PolarHBondContact O-N 2.91Å; S196-T200 PolarHBondContact O-OG1 2.92Å; L197-T200 PolarHBondContact O-N 3.44Å; L197-T200 PolarHBondContact O-OG1 3.29Å; L198-T200 PolarHBondContact O-N 3.48Å; T200-R227 PolarHBondContact O-NE 2.98Å
201A98.8Very high97.4Very high0 Ų032.7 Ų32.70%019%0.189CC..  trans-68.6136.5-174.500000113.2L197 I204L197-A201 HydrophobicContact CD2-CB 4.5Å; L197-A201 VanDerWaalsContact O-CB 3.25Å; L197-A201 WeakPolarHBondContact O-CB 3.29Å; L197-A201 PolarHBondContact O-N 3.3Å; A201-I204 HydrophobicContact CB-CD1 4.3Å; A201-I204 HydrophobicContact CB-CG1 3.66Å
202D98.8Very high97.2Very high36 Ų3639.7 Ų39.719%0.19322%0.222CC..SBendtrans-83.2-33.6167.3-61.5-64.9000110.5K149 I150 R231K149-D202 WeakPolarHBondContact CA-OD2 3.4Å; K149-D202 HydrophobicContact CB-CB 4.23Å; K149-D202 HydrophobicContact CD-CB 4.4Å; I150-D202 PolarHBondContact N-OD2 3.02Å; I150-D202 PolarHBondContact O-N 3.13Å; D202-R231 PolarHBondContact O-N 3.27Å
203Y98.9Very high97.1Very high1 Ų143.8 Ų43.80%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-128.8138177.2-62-104.3000109.2L117 S121 L146 K149 I150 L151 G152 M172 R231L117-Y203 HydrophobicContact CD2-CD1 3.81Å; L117-Y203 HydrophobicContact CD2-CG 4.22Å; S121-Y203 PolarHBondContact OG-OH 3.11Å; L146-Y203 HydrophobicContact CD2-CD1 4.33Å; L146-Y203 HydrophobicContact CD2-CD2 4.35Å; L146-Y203 HydrophobicContact CD2-CE1 3.72Å; L146-Y203 HydrophobicContact CD2-CE2 3.82Å; L146-Y203 VanDerWaalsContact CD2-CZ 3.47Å; K149-Y203 HydrophobicContact CB-CD2 4.26Å; K149-Y203 HydrophobicContact CB-CE2 4.02Å; K149-Y203 HydrophobicContact CG-CE2 4.12Å; I150-Y203 PolarHBondContact O-N 2.85Å; I150-Y203 VanDerWaalsContact O-N 3.08Å; L151-Y203 CarbonylContact C-O 3.59Å; L151-Y203 WeakPolarHBondContact CA-O 3.34Å; G152-Y203 PolarHBondContact N-O 2.92Å; M172-Y203 HydrophobicContact CE-CD2 3.73Å; M172-Y203 HydrophobicContact CE-CE2 4.32Å; M172-Y203 HydrophobicContact CE-CG 4.21Å; Y203-R231 CarbonylContact C-O 3.58Å; Y203-R231 VanDerWaalsContact CA-O 3.27Å; Y203-R231 WeakPolarHBondContact CA-O 3.45Å; Y203-R231 HydrophobicContact CD1-CB 3.71Å; Y203-R231 HydrophobicContact CE1-CB 3.97Å; Y203-R231 VanDerWaalsContact CE1-CD 3.46Å; Y203-R231 HydrophobicContact CE1-CG 4.34Å; Y203-R231 HydrophobicContact CG-CB 4.37Å
204I98.9Very high97.1Very high1 Ų140.4 Ų40.41%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-121.8132.2173.1-60.6171.1000109G152 I154 L197 L198 A201 L206 V230 R231 L232 V233G152-I204 CarbonylContact O-C 3.58Å; G152-I204 VanDerWaalsContact O-CA 3.28Å; G152-I204 WeakPolarHBondContact O-CA 3.33Å; I154-I204 HydrophobicContact CD1-CG2 3.64Å; I154-I204 HydrophobicContact CG1-CG2 4.19Å; L197-I204 HydrophobicContact CD2-CD1 4.17Å; L197-I204 HydrophobicContact CD2-CG1 4.07Å; L197-I204 HydrophobicContact CD2-CG2 4.33Å; L198-I204 HydrophobicContact CD2-CD1 3.79Å; A201-I204 HydrophobicContact CB-CD1 4.3Å; A201-I204 HydrophobicContact CB-CG1 3.66Å; I204-L206 HydrophobicContact CG2-CD2 4.28Å; I204-V230 HydrophobicContact CD1-CG2 3.87Å; I204-V230 HydrophobicContact CG1-CG2 4.04Å; I204-R231 PolarHBondContact N-O 3.15Å; I204-L232 HydrophobicContact CB-CD2 3.69Å; I204-L232 HydrophobicContact CD1-CD2 4.14Å; I204-L232 HydrophobicContact CG1-CD2 4.32Å; I204-L232 HydrophobicContact CG2-CD2 4.35Å; I204-L232 CarbonylContact O-C 3.52Å; I204-L232 WeakPolarHBondContact O-CA 3.26Å; I204-V233 PolarHBondContact O-N 3.46Å
205S98.9Very high97.1Very high0 Ų044.9 Ų44.90%025%0.251CS..EExtended strand (participates in β ladder)trans-122.4136174.7-174.40000111.5T113 G152 I154 H207 V233T113-S205 WeakPolarHBondContact CG2-OG 3.5Å; G152-S205 PolarHBondContact O-N 2.88Å; I154-S205 PolarHBondContact N-O 3.03Å; S205-H207 PolarHBondContact OG-CE1 3.23Å; S205-H207 VanDerWaalsContact OG-CE1 3.3Å; S205-H207 PolarHBondContact OG-NE2 3.07Å; S205-V233 WeakPolarHBondContact CA-O 3.09Å
206L98.8Very high97.1Very high4 Ų442.5 Ų42.52%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-99.4124.2-174.3-55.3177.4000111.5I154 I204 I218 V233 N234 S236 I240 I241I154-L206 HydrophobicContact CB-CD2 3.95Å; I154-L206 HydrophobicContact CD1-CD2 3.61Å; I154-L206 HydrophobicContact CG1-CD2 4.3Å; I154-L206 HydrophobicContact CG2-CD2 4.41Å; I204-L206 HydrophobicContact CG2-CD2 4.28Å; L206-I218 HydrophobicContact CD1-CG1 4.16Å; L206-I218 HydrophobicContact CD2-CD1 4.3Å; L206-I218 HydrophobicContact CD2-CG1 4.02Å; L206-V233 PolarHBondContact N-O 3.43Å; L206-V233 VanDerWaalsContact N-O 3.11Å; L206-N234 HydrophobicContact CD1-CB 4.04Å; L206-S236 PolarHBondContact O-OG 3.02Å; L206-I240 HydrophobicContact CD1-CB 4.34Å; L206-I240 HydrophobicContact CD1-CG2 3.73Å; L206-I240 HydrophobicContact CD2-CG2 4.42Å; L206-I240 HydrophobicContact CG-CG2 4.49Å; L206-I241 HydrophobicContact CD1-CD1 3.59Å; L206-I241 HydrophobicContact CD1-CG1 3.44Å; L206-I241 VanDerWaalsContact CD1-CG1 3.44Å
207H97.4Very high97.1Very high26 Ų2641.8 Ų41.812%0.1224%0.236CC..  trans-137.629.1-176-61.1-63.9000112.7I154 V159 S205I154-H207 CarbonylContact O-C 3.58Å; I154-H207 WeakPolarHBondContact O-CA 3.45Å; I154-H207 PolarHBondContact O-N 3.4Å; V159-H207 WeakPolarHBondContact CG1-ND1 3.5Å; S205-H207 PolarHBondContact OG-CE1 3.23Å; S205-H207 VanDerWaalsContact OG-CE1 3.3Å; S205-H207 PolarHBondContact OG-NE2 3.07Å
208V95.7Very high97.1Very high20 Ų2041.9 Ų41.912%0.12124%0.236CC..PPolyproline II helixtrans-100.9152176.5-67.60000111.3I154 T214 I240I154-V208 HydrophobicContact CG2-CG1 3.95Å; I154-V208 HydrophobicContact CG2-CG2 4.47Å; V208-T214 HydrophobicContact CB-CG2 4.02Å; V208-T214 HydrophobicContact CG2-CG2 3.88Å; V208-I240 HydrophobicContact CG2-CD1 3.8Å; V208-I240 HydrophobicContact CG2-CG1 4.37Å; V208-I240 HydrophobicContact CG2-CG2 4.19Å; V208-I240 WeakPolarHBondContact O-CD1 3.42Å
209P92.2Very high97.1Very high90 Ų9043.9 Ų43.958%0.58425%0.247SC*.PPolyproline II helixtrans-67.8161.5166.530.8-34.8000110.7T211 T214P209-T211 HydrophobicContact CB-CG2 4.45Å; P209-T211 HydrophobicContact CG-CG2 4.09Å; P209-T214 PolarHBondContact O-OG1 3.1Å
210L93.2Very high97.1Very high51 Ų5144.4 Ų44.427%0.26724%0.242SC..PPolyproline II helixtrans-76.9125.8166.7179.862.1000109.8E215 R237 E239L210-E215 HydrophobicContact CD1-CB 3.8Å; L210-E215 HydrophobicContact CD1-CG 4.16Å; L210-R237 HydrophobicContact CB-CB 4.07Å; L210-R237 HydrophobicContact CB-CG 3.86Å; L210-E239 HydrophobicContact CD1-CB 3.73Å; L210-E239 HydrophobicContact CD2-CB 3.93Å; L210-E239 HydrophobicContact CD2-CG 4.09Å; L210-E239 HydrophobicContact CG-CB 4.49Å
211T93.2Very high97.1Very high55 Ų5548 Ų4834%0.33726%0.26SS..  trans-150166.3179.968.90000108.2P209 T213 T214 E215P209-T211 HydrophobicContact CB-CG2 4.45Å; P209-T211 HydrophobicContact CG-CG2 4.09Å; T211-T213 PolarHBondContact O-N 2.92Å; T211-T213 VanDerWaalsContact O-N 3.07Å; T211-T213 PolarHBondContact OG1-N 3.25Å; T211-T213 PolarHBondContact OG1-OG1 3.39Å; T211-T214 PolarHBondContact N-OG1 3.39Å; T211-T214 PolarHBondContact O-N 2.63Å; T211-T214 PolarHBondContact O-OG1 2.94Å; T211-T214 VanDerWaalsContact O-OG1 3.11Å; T211-T214 WeakPolarHBondContact OG1-CG2 3.47Å; T211-T214 PolarHBondContact OG1-N 3.08Å; T211-T214 PolarHBondContact OG1-OG1 3.33Å; T211-E215 WeakPolarHBondContact O-CB 3.46Å; T211-E215 PolarHBondContact O-N 3.44Å
212E94.2Very high97.1Very high189 Ų18948.6 Ų48.688%0.88326%0.264SS*.THydrogen-bonded Turntrans-53.7-30173.7-63.3179.1178.600113.2
213T94.6Very high97.1Very high115 Ų11547.2 Ų47.271%0.70626%0.257SS*.THydrogen-bonded Turntrans-87.5-14.4-178.660.80000114.5T211T211-T213 PolarHBondContact O-N 2.92Å; T211-T213 VanDerWaalsContact O-N 3.07Å; T211-T213 PolarHBondContact OG1-N 3.25Å; T211-T213 PolarHBondContact OG1-OG1 3.39Å
214T96.8Very high97Very high14 Ų1452.4 Ų52.49%0.08628%0.284CS..THydrogen-bonded Turntrans-113.7-18-175.756.60000112.4V208 P209 T211 G216 I217V208-T214 HydrophobicContact CB-CG2 4.02Å; V208-T214 HydrophobicContact CG2-CG2 3.88Å; P209-T214 PolarHBondContact O-OG1 3.1Å; T211-T214 PolarHBondContact N-OG1 3.39Å; T211-T214 PolarHBondContact O-N 2.63Å; T211-T214 PolarHBondContact O-OG1 2.94Å; T211-T214 VanDerWaalsContact O-OG1 3.11Å; T211-T214 WeakPolarHBondContact OG1-CG2 3.47Å; T211-T214 PolarHBondContact OG1-N 3.08Å; T211-T214 PolarHBondContact OG1-OG1 3.33Å; T214-G216 PolarHBondContact O-N 3.43Å; T214-I217 WeakPolarHBondContact O-CB 3.23Å; T214-I217 WeakPolarHBondContact O-CG2 3.4Å; T214-I217 PolarHBondContact O-N 3.23Å
215E97.8Very high97Very high125 Ų12556.9 Ų56.958%0.58430%0.303SS*.THydrogen-bonded Turntrans-58.8126.1172.8-174.2175.1-177.600109.9L210 T211 I217L210-E215 HydrophobicContact CD1-CB 3.8Å; L210-E215 HydrophobicContact CD1-CG 4.16Å; T211-E215 WeakPolarHBondContact O-CB 3.46Å; T211-E215 PolarHBondContact O-N 3.44Å; E215-I217 PolarHBondContact O-N 2.97Å
216G98.2Very high97Very high21 Ų2157.3 Ų57.322%0.21631%0.306CS..THydrogen-bonded Turntrans58.321.3-178.600000114.5T214 I218 N219 E239 I240T214-G216 PolarHBondContact O-N 3.43Å; G216-I218 PolarHBondContact O-N 3.31Å; G216-N219 WeakPolarHBondContact O-CB 3.45Å; G216-N219 PolarHBondContact O-ND2 3.39Å; G216-E239 PolarHBondContact N-O 3.09Å; G216-I240 CarbonylContact C-O 3.51Å
217I98.3Very high97Very high30 Ų3062.9 Ų62.915%0.15433%0.327CS..  trans-61.6-28.4179-161.1178.8000111.4F194 T214 E215 T222 I240F194-I217 HydrophobicContact CE1-CG1 4.33Å; F194-I217 HydrophobicContact CE2-CD1 3.83Å; F194-I217 HydrophobicContact CE2-CG1 4.22Å; F194-I217 HydrophobicContact CZ-CD1 3.83Å; F194-I217 HydrophobicContact CZ-CG1 3.71Å; T214-I217 WeakPolarHBondContact O-CB 3.23Å; T214-I217 WeakPolarHBondContact O-CG2 3.4Å; T214-I217 PolarHBondContact O-N 3.23Å; E215-I217 PolarHBondContact O-N 2.97Å; I217-T222 VanDerWaalsContact O-CG2 3.31Å; I217-T222 WeakPolarHBondContact O-CG2 3.4Å; I217-T222 PolarHBondContact O-OG1 2.82Å; I217-I240 HydrophobicContact CG2-CG2 3.59Å; I217-I240 PolarHBondContact N-O 2.9Å
218I98.7Very high97Very high2 Ų270 Ų701%0.0136%0.357CS..BIsolated β-bridgetrans-95.8108.6166.6-53-56000108.4I154 L206 G216 T222 L223 L232 I240 I241 N242I154-I218 HydrophobicContact CD1-CD1 3.9Å; L206-I218 HydrophobicContact CD1-CG1 4.16Å; L206-I218 HydrophobicContact CD2-CD1 4.3Å; L206-I218 HydrophobicContact CD2-CG1 4.02Å; G216-I218 PolarHBondContact O-N 3.31Å; I218-T222 WeakPolarHBondContact CA-OG1 3.46Å; I218-L223 HydrophobicContact CG2-CD2 3.7Å; I218-L223 HydrophobicContact CG2-CG 3.98Å; I218-L232 HydrophobicContact CG2-CD1 4.21Å; I218-I240 PolarHBondContact N-O 3.24Å; I218-I240 VanDerWaalsContact N-O 3.1Å; I218-I241 HydrophobicContact CB-CB 4.36Å; I218-I241 HydrophobicContact CB-CG1 3.99Å; I218-I241 HydrophobicContact CB-CG2 4.31Å; I218-I241 HydrophobicContact CG1-CG1 4.25Å; I218-I241 HydrophobicContact CG2-CG1 4.34Å; I218-I241 HydrophobicContact CG2-CG2 4.12Å; I218-N242 PolarHBondContact O-N 3Å
219N98.6Very high97.1Very high42 Ų4270.2 Ų70.223%0.22536%0.364CS..SBendtrans-145.9-175.5-172.856.836.8000109.9G216 D221 T222 L223 H245G216-N219 WeakPolarHBondContact O-CB 3.45Å; G216-N219 PolarHBondContact O-ND2 3.39Å; N219-D221 PolarHBondContact O-N 3.44Å; N219-D221 PolarHBondContact OD1-N 2.9Å; N219-T222 PolarHBondContact N-OG1 2.78Å; N219-T222 PolarHBondContact O-N 2.92Å; N219-T222 PolarHBondContact O-OG1 2.78Å; N219-T222 VanDerWaalsContact O-OG1 3.13Å; N219-T222 PolarHBondContact OD1-N 3.24Å; N219-T222 PolarHBondContact OD1-OG1 2.67Å; N219-L223 VanDerWaalsContact O-CB 3.24Å; N219-L223 WeakPolarHBondContact O-CB 3.35Å; N219-L223 WeakPolarHBondContact O-CD1 3.25Å; N219-L223 WeakPolarHBondContact O-CG 3.39Å; N219-L223 PolarHBondContact O-N 2.8Å; N219-H245 WeakPolarHBondContact CA-ND1 3.46Å
220E98.3Very high97.4Very high69 Ų6966 Ų6632%0.32234%0.337SS..Hα-helixtrans-55.1-49-177.8180160.2-156.800112.7T222 L223 L224 H245 K248E220-T222 PolarHBondContact O-N 2.72Å; E220-L223 PolarHBondContact O-N 3.46Å; E220-L224 HydrophobicContact CG-CD1 4.05Å; E220-L224 WeakPolarHBondContact O-CB 3.13Å; E220-L224 VanDerWaalsContact O-CG 3.28Å; E220-L224 WeakPolarHBondContact O-CG 3.37Å; E220-L224 PolarHBondContact O-N 2.91Å; E220-H245 HydrophobicContact CB-CB 4.33Å; E220-H245 PolarHBondContact N-ND1 2.82Å; E220-K248 WeakPolarHBondContact OE1-CE 3.28Å; E220-K248 IonicContact OE1-NZ 2.7Å; E220-K248 PolarHBondContact OE1-NZ 2.86Å; E220-K248 IonicContact OE2-NZ 2.9Å; E220-K248 PolarHBondContact OE2-NZ 3.34Å
221D98.5Very high97.7Very high117 Ų11766.6 Ų66.663%0.62634%0.335SS*.Hα-helixtrans-62.6-44.5-177.8-68.1-24.6000112.6N219 L224 K225N219-D221 PolarHBondContact O-N 3.44Å; N219-D221 PolarHBondContact OD1-N 2.9Å; D221-L224 PolarHBondContact O-N 3.36Å; D221-K225 WeakPolarHBondContact O-CG 3.47Å; D221-K225 PolarHBondContact O-N 2.77Å
222T98.7Very high98Very high13 Ų1364.2 Ų64.28%0.0832%0.32CS..Hα-helixtrans-74.4-33.7-179.451.10000112.4F194 L198 I217 I218 N219 E220 L224 K225 C226F194-T222 HydrophobicContact CE1-CG2 3.74Å; F194-T222 HydrophobicContact CZ-CG2 4.17Å; L198-T222 HydrophobicContact CD1-CG2 4.05Å; I217-T222 VanDerWaalsContact O-CG2 3.31Å; I217-T222 WeakPolarHBondContact O-CG2 3.4Å; I217-T222 PolarHBondContact O-OG1 2.82Å; I218-T222 WeakPolarHBondContact CA-OG1 3.46Å; N219-T222 PolarHBondContact N-OG1 2.78Å; N219-T222 PolarHBondContact O-N 2.92Å; N219-T222 PolarHBondContact O-OG1 2.78Å; N219-T222 VanDerWaalsContact O-OG1 3.13Å; N219-T222 PolarHBondContact OD1-N 3.24Å; N219-T222 PolarHBondContact OD1-OG1 2.67Å; E220-T222 PolarHBondContact O-N 2.72Å; T222-L224 VanDerWaalsContact C-N 3.33Å; T222-K225 PolarHBondContact O-N 2.8Å; T222-C226 PolarHBondContact O-N 2.6Å; T222-C226 PolarHBondContact O-SG 3.44Å
223L98.8Very high98.2Very high7 Ų755.2 Ų55.24%0.03728%0.278CS..Hα-helixtrans-63.2-40.7170.7-71.5171.8000110.8I218 N219 E220 K225 C226 L232 H245 H254 V255I218-L223 HydrophobicContact CG2-CD2 3.7Å; I218-L223 HydrophobicContact CG2-CG 3.98Å; N219-L223 VanDerWaalsContact O-CB 3.24Å; N219-L223 WeakPolarHBondContact O-CB 3.35Å; N219-L223 WeakPolarHBondContact O-CD1 3.25Å; N219-L223 WeakPolarHBondContact O-CG 3.39Å; N219-L223 PolarHBondContact O-N 2.8Å; E220-L223 PolarHBondContact O-N 3.46Å; L223-K225 VanDerWaalsContact C-N 3.26Å; L223-K225 PolarHBondContact O-N 2.88Å; L223-C226 WeakPolarHBondContact O-CB 3.48Å; L223-C226 PolarHBondContact O-N 3.34Å; L223-L232 HydrophobicContact CD2-CD1 3.75Å; L223-H245 HydrophobicContact CD1-CB 4.08Å; L223-H245 WeakPolarHBondContact CD1-O 3.3Å; L223-H254 PolarHBondContact O-CD2 2.59Å; L223-H254 PolarHBondContact O-NE2 2.85Å; L223-V255 HydrophobicContact CD2-CG2 3.88Å
224L98.2Very high98.4Very high110 Ų11049.8 Ų49.858%0.57625%0.245SC*.Hα-helixtrans-65.9-26.7177-73.8171.6000113.6E220 D221 T222 C226E220-L224 HydrophobicContact CG-CD1 4.05Å; E220-L224 WeakPolarHBondContact O-CB 3.13Å; E220-L224 VanDerWaalsContact O-CG 3.28Å; E220-L224 WeakPolarHBondContact O-CG 3.37Å; E220-L224 PolarHBondContact O-N 2.91Å; D221-L224 PolarHBondContact O-N 3.36Å; T222-L224 VanDerWaalsContact C-N 3.33Å; L224-C226 VanDerWaalsContact C-N 3.26Å
225K98.6Very high98.5Very high94 Ų9450 Ų5041%0.40925%0.247SC..THydrogen-bonded Turntrans-74.3-16.6171.8-67.9179.8-175.2-1690113D195 L198 S199 D221 T222 L223D195-K225 WeakPolarHBondContact OD1-CD 3.12Å; D195-K225 IonicContact OD1-NZ 2.8Å; D195-K225 PolarHBondContact OD1-NZ 2.99Å; D195-K225 IonicContact OD2-NZ 2.75Å; D195-K225 PolarHBondContact OD2-NZ 3.26Å; L198-K225 HydrophobicContact CB-CB 4.25Å; L198-K225 HydrophobicContact CD1-CB 4.14Å; L198-K225 HydrophobicContact CD1-CD 4.22Å; S199-K225 WeakPolarHBondContact CA-O 3.46Å; D221-K225 WeakPolarHBondContact O-CG 3.47Å; D221-K225 PolarHBondContact O-N 2.77Å; T222-K225 PolarHBondContact O-N 2.8Å; L223-K225 VanDerWaalsContact C-N 3.26Å; L223-K225 PolarHBondContact O-N 2.88Å
226C98.7Very high98.4Very high10 Ų1044.7 Ų44.77%0.06822%0.224CC..SBendtrans-70.5160.3179.8-64.70000111.8L198 T222 L223 L224 K228 V230 H254L198-C226 VanDerWaalsContact O-CA 3.32Å; L198-C226 WeakPolarHBondContact O-CA 3.41Å; T222-C226 PolarHBondContact O-N 2.6Å; T222-C226 PolarHBondContact O-SG 3.44Å; L223-C226 WeakPolarHBondContact O-CB 3.48Å; L223-C226 PolarHBondContact O-N 3.34Å; L224-C226 VanDerWaalsContact C-N 3.26Å; C226-K228 PolarHBondContact O-N 3.12Å; C226-V230 HydrophobicContact CB-CB 4.04Å; C226-V230 HydrophobicContact CB-CG1 3.66Å; C226-V230 HydrophobicContact CB-CG2 4.34Å; C226-H254 PolarHBondContact O-NE2 2.94Å
227R97.8Very high98.2Very high120 Ų12046.2 Ų46.245%0.45322%0.223SC..PPolyproline II helixtrans-62.1138.6166.2-70.8-169.4163-161.8-3.6110.1S199 T200 G229 V230S199-R227 WeakPolarHBondContact O-CG 3.45Å; S199-R227 PolarHBondContact O-NE 3.14Å; T200-R227 PolarHBondContact O-NE 2.98Å; R227-G229 PolarHBondContact O-N 3.27Å; R227-V230 WeakPolarHBondContact O-CB 3.16Å; R227-V230 PolarHBondContact O-N 3.36Å
228K98.2Very high98.2Very high175 Ų17545 Ų4576%0.76122%0.217SC*.THydrogen-bonded Turntrans-56.6125.6166.8-172.8179.2-177.6177.40109.2C226C226-K228 PolarHBondContact O-N 3.12Å
229G98.1Very high98.2Very high26 Ų2647.5 Ų47.527%0.26823%0.229SC..THydrogen-bonded Turntrans9112.1-176.500000114.6R227 H254 A256R227-G229 PolarHBondContact O-N 3.27Å; G229-H254 PolarHBondContact N-O 2.82Å; G229-A256 VanDerWaalsContact O-CB 3.32Å; G229-A256 WeakPolarHBondContact O-CB 3.37Å
230V98.8Very high98.1Very high0 Ų045.5 Ų45.50%022%0.218CC..EExtended strand (participates in β ladder)trans-55.7146.3172.568.60000111I204 C226 R227 L232 V255 A256I204-V230 HydrophobicContact CD1-CG2 3.87Å; I204-V230 HydrophobicContact CG1-CG2 4.04Å; C226-V230 HydrophobicContact CB-CB 4.04Å; C226-V230 HydrophobicContact CB-CG1 3.66Å; C226-V230 HydrophobicContact CB-CG2 4.34Å; R227-V230 WeakPolarHBondContact O-CB 3.16Å; R227-V230 PolarHBondContact O-N 3.36Å; V230-L232 HydrophobicContact CG2-CD2 4.15Å; V230-V255 HydrophobicContact CG1-CG2 4.16Å; V230-V255 CarbonylContact O-C 3.24Å; V230-V255 WeakPolarHBondContact O-CA 3.15Å; V230-A256 PolarHBondContact O-N 2.98Å
231R98.9Very high98.2Very high64 Ų6442.3 Ų42.324%0.24220%0.204CC..EExtended strand (participates in β ladder)trans-117.9135.4174-73.5178-178.286.1-0.7110.7L120 D202 Y203 I204 A256 G257L120-R231 HydrophobicContact CD2-CB 3.76Å; L120-R231 HydrophobicContact CD2-CG 4.26Å; L120-R231 HydrophobicContact CG-CB 4.47Å; L120-R231 HydrophobicContact CG-CG 4.49Å; D202-R231 PolarHBondContact O-N 3.27Å; Y203-R231 CarbonylContact C-O 3.58Å; Y203-R231 VanDerWaalsContact CA-O 3.27Å; Y203-R231 WeakPolarHBondContact CA-O 3.45Å; Y203-R231 HydrophobicContact CD1-CB 3.71Å; Y203-R231 HydrophobicContact CE1-CB 3.97Å; Y203-R231 VanDerWaalsContact CE1-CD 3.46Å; Y203-R231 HydrophobicContact CE1-CG 4.34Å; Y203-R231 HydrophobicContact CG-CB 4.37Å; I204-R231 PolarHBondContact N-O 3.15Å; R231-A256 HydrophobicContact CG-CB 4.07Å; R231-G257 VanDerWaalsContact CA-O 3.32Å; R231-G257 WeakPolarHBondContact CA-O 3.32Å
232L98.9Very high98.2Very high5 Ų538.8 Ų38.83%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-112.6140.9-174.1-58.4-179.9000111.6I204 I218 L223 V230 L246 V255 G257 A258 A259I204-L232 HydrophobicContact CB-CD2 3.69Å; I204-L232 HydrophobicContact CD1-CD2 4.14Å; I204-L232 HydrophobicContact CG1-CD2 4.32Å; I204-L232 HydrophobicContact CG2-CD2 4.35Å; I204-L232 CarbonylContact O-C 3.52Å; I204-L232 WeakPolarHBondContact O-CA 3.26Å; I218-L232 HydrophobicContact CG2-CD1 4.21Å; L223-L232 HydrophobicContact CD2-CD1 3.75Å; V230-L232 HydrophobicContact CG2-CD2 4.15Å; L232-L246 HydrophobicContact CD1-CD1 3.75Å; L232-V255 HydrophobicContact CD1-CG1 4.36Å; L232-V255 HydrophobicContact CG-CG1 4.34Å; L232-G257 PolarHBondContact N-O 2.78Å; L232-A258 HydrophobicContact CB-CB 4.42Å; L232-A258 CarbonylContact O-C 3.58Å; L232-A258 VanDerWaalsContact O-CA 3.25Å; L232-A258 WeakPolarHBondContact O-CA 3.4Å; L232-A259 PolarHBondContact O-N 3.28Å
233V98.9Very high98.2Very high0 Ų039 Ų390%019%0.185CC..EExtended strand (participates in β ladder)trans-128.6129.6172.6-176.70000109.9T113 L116 L117 L120 I204 S205 L206 A259T113-V233 HydrophobicContact CG2-CG1 4.07Å; L116-V233 HydrophobicContact CB-CG1 3.92Å; L116-V233 HydrophobicContact CD1-CG1 4.3Å; L117-V233 HydrophobicContact CD2-CB 4.45Å; L117-V233 HydrophobicContact CD2-CG2 3.58Å; L117-V233 HydrophobicContact CG-CG2 3.9Å; L120-V233 HydrophobicContact CD2-CG2 4.16Å; I204-V233 PolarHBondContact O-N 3.46Å; S205-V233 WeakPolarHBondContact CA-O 3.09Å; L206-V233 PolarHBondContact N-O 3.43Å; L206-V233 VanDerWaalsContact N-O 3.11Å; V233-A259 WeakPolarHBondContact CA-O 3.36Å; V233-A259 HydrophobicContact CG1-CB 4.45Å; V233-A259 HydrophobicContact CG2-CB 4.16Å
234N98.8Very high98.2Very high1 Ų145.5 Ų45.51%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-134.1114.5176.9-168.55.9000111.7L206 S236 R237 I241 A259 L260 D261 V262L206-N234 HydrophobicContact CD1-CB 4.04Å; N234-S236 PolarHBondContact OD1-N 3.41Å; N234-S236 PolarHBondContact OD1-OG 3.26Å; N234-R237 PolarHBondContact ND2-O 3.2Å; N234-I241 HydrophobicContact CB-CD1 3.8Å; N234-A259 PolarHBondContact N-O 3.03Å; N234-L260 HydrophobicContact CB-CD2 4.02Å; N234-D261 PolarHBondContact O-N 3.48Å; N234-V262 HydrophobicContact CB-CG2 4.3Å
235C98Very high98.2Very high19 Ų1942.4 Ų42.413%0.12820%0.198CC..SBendtrans-120.518.5169.9-52.90000111.9D261C235-D261 HydrophobicContact CB-CB 4.29Å
236S95.7Very high98.2Very high14 Ų1438 Ų3810%0.09818%0.178CC..SBendtrans-101.9-88.1-173.461.40000111.2L206 N234 I240L206-S236 PolarHBondContact O-OG 3.02Å; N234-S236 PolarHBondContact OD1-N 3.41Å; N234-S236 PolarHBondContact OD1-OG 3.26Å; S236-I240 WeakPolarHBondContact OG-CD1 2.93Å
237R95.8Very high98.2Very high53 Ų5339.3 Ų39.320%0.218%0.184CC..  trans-136140.1172.7-68.6-66.3-178.5-70.9-11.8110.1D84 L210 N234 E239 I240 V262D84-R237 IonicContact OD1-NE 2.76Å; D84-R237 IonicContact OD2-CZ 2.87Å; D84-R237 VanDerWaalsContact OD2-CZ 3.27Å; D84-R237 IonicContact OD2-NE 3.04Å; D84-R237 PolarHBondContact OD2-NE 2.89Å; D84-R237 IonicContact OD2-NH2 2.63Å; D84-R237 PolarHBondContact OD2-NH2 3.48Å; L210-R237 HydrophobicContact CB-CB 4.07Å; L210-R237 HydrophobicContact CB-CG 3.86Å; N234-R237 PolarHBondContact ND2-O 3.2Å; R237-E239 VanDerWaalsContact C-N 3.3Å; R237-E239 PolarHBondContact O-N 3.42Å; R237-I240 HydrophobicContact CB-CD1 3.8Å; R237-I240 HydrophobicContact CB-CG1 4.1Å; R237-I240 WeakPolarHBondContact O-CB 3.34Å; R237-I240 PolarHBondContact O-N 3.26Å; R237-V262 VanDerWaalsContact C-CG2 3.49Å
238G97.4Very high98.2Very high3 Ų339 Ų393%0.03119%0.187CC..G310 helixtrans-67-35.4-17600000112.4I240 I241 F263G238-I240 PolarHBondContact O-N 2.97Å; G238-I240 VanDerWaalsContact O-N 3.07Å; G238-I241 PolarHBondContact O-N 3.18Å; G238-F263 VanDerWaalsContact CA-C 3.46Å
239E97.7Very high98.2Very high55 Ų5531 Ų3126%0.25715%0.154SC..G310 helixtrans-62.2-14.1179.2-55.894.4141.300114.1L210 G216 R237 I241 Q264L210-E239 HydrophobicContact CD1-CB 3.73Å; L210-E239 HydrophobicContact CD2-CB 3.93Å; L210-E239 HydrophobicContact CD2-CG 4.09Å; L210-E239 HydrophobicContact CG-CB 4.49Å; G216-E239 PolarHBondContact N-O 3.09Å; R237-E239 VanDerWaalsContact C-N 3.3Å; R237-E239 PolarHBondContact O-N 3.42Å; E239-I241 PolarHBondContact O-N 3.03Å; E239-Q264 HydrophobicContact CG-CB 4.5Å
240I98.5Very high98.3Very high0 Ų030 Ų300%014%0.142CC..G310 helixtrans-68.6-26.3173.1-62.5163.3000110.8L206 V208 G216 I217 I218 S236 R237 G238L206-I240 HydrophobicContact CD1-CB 4.34Å; L206-I240 HydrophobicContact CD1-CG2 3.73Å; L206-I240 HydrophobicContact CD2-CG2 4.42Å; L206-I240 HydrophobicContact CG-CG2 4.49Å; V208-I240 HydrophobicContact CG2-CD1 3.8Å; V208-I240 HydrophobicContact CG2-CG1 4.37Å; V208-I240 HydrophobicContact CG2-CG2 4.19Å; V208-I240 WeakPolarHBondContact O-CD1 3.42Å; G216-I240 CarbonylContact C-O 3.51Å; I217-I240 HydrophobicContact CG2-CG2 3.59Å; I217-I240 PolarHBondContact N-O 2.9Å; I218-I240 PolarHBondContact N-O 3.24Å; I218-I240 VanDerWaalsContact N-O 3.1Å; S236-I240 WeakPolarHBondContact OG-CD1 2.93Å; R237-I240 HydrophobicContact CB-CD1 3.8Å; R237-I240 HydrophobicContact CB-CG1 4.1Å; R237-I240 WeakPolarHBondContact O-CB 3.34Å; R237-I240 PolarHBondContact O-N 3.26Å; G238-I240 PolarHBondContact O-N 2.97Å; G238-I240 VanDerWaalsContact O-N 3.07Å
241I98.7Very high98.2Very high3 Ų334.9 Ų34.92%0.01517%0.172CC..BIsolated β-bridgetrans-109.8129.7175.3-55.3176.1000109.4L206 I218 N234 G238 E239 E243 L246 L260L206-I241 HydrophobicContact CD1-CD1 3.59Å; L206-I241 HydrophobicContact CD1-CG1 3.44Å; L206-I241 VanDerWaalsContact CD1-CG1 3.44Å; I218-I241 HydrophobicContact CB-CB 4.36Å; I218-I241 HydrophobicContact CB-CG1 3.99Å; I218-I241 HydrophobicContact CB-CG2 4.31Å; I218-I241 HydrophobicContact CG1-CG1 4.25Å; I218-I241 HydrophobicContact CG2-CG1 4.34Å; I218-I241 HydrophobicContact CG2-CG2 4.12Å; N234-I241 HydrophobicContact CB-CD1 3.8Å; G238-I241 PolarHBondContact O-N 3.18Å; E239-I241 PolarHBondContact O-N 3.03Å; I241-E243 PolarHBondContact O-N 3.48Å; I241-L246 HydrophobicContact CG2-CB 3.87Å; I241-L246 HydrophobicContact CG2-CD2 4.04Å; I241-L246 HydrophobicContact CG2-CG 4.44Å; I241-L260 HydrophobicContact CD1-CD2 4.09Å
242N98.7Very high98.2Very high42 Ų4235.8 Ų35.823%0.22519%0.188CC..  trans-73.1112.1163.6-178.5-58.4000109.4I218 E244 H245 L246I218-N242 PolarHBondContact O-N 3Å; N242-E244 VanDerWaalsContact C-N 3.33Å; N242-E244 PolarHBondContact O-N 2.65Å; N242-E244 WeakPolarHBondContact OD1-CB 3.49Å; N242-E244 PolarHBondContact OD1-N 2.83Å; N242-E244 VanDerWaalsContact OD1-N 3.11Å; N242-H245 HydrophobicContact CB-CB 4.14Å; N242-H245 PolarHBondContact ND2-CE1 2.96Å; N242-H245 PolarHBondContact O-N 2.98Å; N242-H245 VanDerWaalsContact OD1-CG 3.27Å; N242-H245 PolarHBondContact OD1-N 3.46Å; N242-H245 PolarHBondContact OD1-ND1 2.79Å; N242-L246 WeakPolarHBondContact O-CB 3.49Å; N242-L246 PolarHBondContact O-N 3.48Å
243E98.6Very high98.2Very high17 Ų1737.2 Ų37.28%0.07920%0.204CC..Hα-helixtrans-66.7-31.6-174-73.8176.8-172.600113.4I241 L246 L247 F263 Q264 N270 L273I241-E243 PolarHBondContact O-N 3.48Å; E243-L246 PolarHBondContact O-N 3.34Å; E243-L247 WeakPolarHBondContact O-CB 3.33Å; E243-L247 PolarHBondContact O-N 2.88Å; E243-F263 WeakPolarHBondContact OE1-CA 3.48Å; E243-F263 WeakPolarHBondContact OE1-CB 3.43Å; E243-Q264 VanDerWaalsContact CB-OE1 3.29Å; E243-Q264 HydrophobicContact CG-CG 3.84Å; E243-Q264 PolarHBondContact OE1-N 3.28Å; E243-N270 WeakPolarHBondContact OE2-CB 3.27Å; E243-N270 PolarHBondContact OE2-ND2 2.76Å; E243-L273 HydrophobicContact CB-CD2 4.08Å; E243-L273 HydrophobicContact CG-CD2 3.78Å
244E98.4Very high98.1Very high145 Ų14539.1 Ų39.168%0.67821%0.213SC*.Hα-helixtrans-66.9-47.3176.8-177.2-17817300110.7N242 L246 L247 K248N242-E244 VanDerWaalsContact C-N 3.33Å; N242-E244 PolarHBondContact O-N 2.65Å; N242-E244 WeakPolarHBondContact OD1-CB 3.49Å; N242-E244 PolarHBondContact OD1-N 2.83Å; N242-E244 VanDerWaalsContact OD1-N 3.11Å; E244-L246 VanDerWaalsContact C-N 3.32Å; E244-L246 PolarHBondContact O-N 2.9Å; E244-L247 PolarHBondContact O-N 2.8Å; E244-K248 PolarHBondContact O-N 2.8Å
245H98.7Very high98.1Very high45 Ų4539.1 Ų39.121%0.20821%0.213CC..Hα-helixtrans-64.4-38.6176.5-59.7161.2000111.5N219 E220 L223 N242 K248 G249N219-H245 WeakPolarHBondContact CA-ND1 3.46Å; E220-H245 HydrophobicContact CB-CB 4.33Å; E220-H245 PolarHBondContact N-ND1 2.82Å; L223-H245 HydrophobicContact CD1-CB 4.08Å; L223-H245 WeakPolarHBondContact CD1-O 3.3Å; N242-H245 HydrophobicContact CB-CB 4.14Å; N242-H245 PolarHBondContact ND2-CE1 2.96Å; N242-H245 PolarHBondContact O-N 2.98Å; N242-H245 VanDerWaalsContact OD1-CG 3.27Å; N242-H245 PolarHBondContact OD1-N 3.46Å; N242-H245 PolarHBondContact OD1-ND1 2.79Å; H245-K248 PolarHBondContact O-N 2.94Å; H245-G249 PolarHBondContact O-N 3.09Å
246L98.8Very high98.2Very high1 Ų139.6 Ų39.61%0.00522%0.218CC..Hα-helixtrans-60.3-48.1173.1177.559.3000111.4L232 I241 N242 E243 E244 K248 G249 L250 V255 A258 L260 L273L232-L246 HydrophobicContact CD1-CD1 3.75Å; I241-L246 HydrophobicContact CG2-CB 3.87Å; I241-L246 HydrophobicContact CG2-CD2 4.04Å; I241-L246 HydrophobicContact CG2-CG 4.44Å; N242-L246 WeakPolarHBondContact O-CB 3.49Å; N242-L246 PolarHBondContact O-N 3.48Å; E243-L246 PolarHBondContact O-N 3.34Å; E244-L246 VanDerWaalsContact C-N 3.32Å; E244-L246 PolarHBondContact O-N 2.9Å; L246-K248 VanDerWaalsContact C-N 3.31Å; L246-K248 PolarHBondContact O-N 2.93Å; L246-G249 PolarHBondContact O-N 3.48Å; L246-G249 VanDerWaalsContact O-N 3.14Å; L246-L250 HydrophobicContact CD1-CD1 4.14Å; L246-L250 HydrophobicContact CD1-CG 4.19Å; L246-L250 HydrophobicContact CG-CD1 3.88Å; L246-L250 HydrophobicContact CG-CG 4.41Å; L246-L250 WeakPolarHBondContact O-CG 3.1Å; L246-L250 PolarHBondContact O-N 3.37Å; L246-V255 HydrophobicContact CD1-CG1 4.18Å; L246-A258 HydrophobicContact CD1-CB 4.25Å; L246-A258 HydrophobicContact CD2-CB 4.13Å; L246-L260 HydrophobicContact CD2-CD1 3.91Å; L246-L260 HydrophobicContact CD2-CD2 4.26Å; L246-L273 HydrophobicContact CD2-CD1 4.02Å; L246-L273 HydrophobicContact CD2-CD2 4.4Å; L246-L273 HydrophobicContact CG-CD1 4.24Å
247L98.6Very high98.3Very high37 Ų3739 Ų3919%0.19421%0.214CC..Hα-helixtrans-60.9-40.6179.4-175.363.1000111.7E243 E244 L250 T251 D272 L273E243-L247 WeakPolarHBondContact O-CB 3.33Å; E243-L247 PolarHBondContact O-N 2.88Å; E244-L247 PolarHBondContact O-N 2.8Å; L247-L250 PolarHBondContact O-N 2.99Å; L247-T251 WeakPolarHBondContact O-CB 3.39Å; L247-T251 PolarHBondContact O-N 3.45Å; L247-T251 PolarHBondContact O-OG1 2.98Å; L247-D272 HydrophobicContact CD2-CB 3.8Å; L247-L273 HydrophobicContact CD1-CD1 4.44Å
248K98.5Very high98.5Very high115 Ų11536.4 Ų36.450%0.520%0.204SC..Hα-helixtrans-61.8-44.1172.6-173.7-179.3-176.8179.40112E220 E244 H245 L246 L250 T251 S252E220-K248 WeakPolarHBondContact OE1-CE 3.28Å; E220-K248 IonicContact OE1-NZ 2.7Å; E220-K248 PolarHBondContact OE1-NZ 2.86Å; E220-K248 IonicContact OE2-NZ 2.9Å; E220-K248 PolarHBondContact OE2-NZ 3.34Å; E244-K248 PolarHBondContact O-N 2.8Å; H245-K248 PolarHBondContact O-N 2.94Å; L246-K248 VanDerWaalsContact C-N 3.31Å; L246-K248 PolarHBondContact O-N 2.93Å; K248-L250 PolarHBondContact O-N 3.15Å; K248-T251 PolarHBondContact O-N 2.92Å; K248-S252 WeakPolarHBondContact O-CB 3.4Å; K248-S252 PolarHBondContact O-N 2.74Å; K248-S252 PolarHBondContact O-OG 2.86Å
249G98.7Very high98.5Very high7 Ų736.3 Ų36.37%0.07220%0.203CC..Hα-helixtrans-61.2-41.6175.400000112.9H245 L246 S252 G253 H254 V255H245-G249 PolarHBondContact O-N 3.09Å; L246-G249 PolarHBondContact O-N 3.48Å; L246-G249 VanDerWaalsContact O-N 3.14Å; G249-S252 PolarHBondContact O-OG 3.45Å; G249-S252 VanDerWaalsContact O-OG 3.07Å; G249-G253 PolarHBondContact O-N 2.87Å; G249-H254 PolarHBondContact O-N 3.39Å; G249-V255 PolarHBondContact O-N 2.8Å
250L98.7Very high98.6Very high4 Ų433.9 Ų33.92%0.02119%0.191CC..Hα-helixtrans-67.1-46.7176.4-72.7164.7000111.8L246 L247 K248 S252 G253 V255 A258 L273 N278 V279L246-L250 HydrophobicContact CD1-CD1 4.14Å; L246-L250 HydrophobicContact CD1-CG 4.19Å; L246-L250 HydrophobicContact CG-CD1 3.88Å; L246-L250 HydrophobicContact CG-CG 4.41Å; L246-L250 WeakPolarHBondContact O-CG 3.1Å; L246-L250 PolarHBondContact O-N 3.37Å; L247-L250 PolarHBondContact O-N 2.99Å; K248-L250 PolarHBondContact O-N 3.15Å; L250-S252 PolarHBondContact O-N 3.46Å; L250-G253 PolarHBondContact O-N 2.92Å; L250-G253 VanDerWaalsContact O-N 3.08Å; L250-V255 HydrophobicContact CD2-CB 4.15Å; L250-V255 HydrophobicContact CD2-CG1 3.77Å; L250-V255 HydrophobicContact CG-CB 4.31Å; L250-V255 HydrophobicContact CG-CG1 4.24Å; L250-A258 HydrophobicContact CD2-CB 4.49Å; L250-L273 HydrophobicContact CD1-CD1 3.75Å; L250-N278 HydrophobicContact CD2-CB 4.3Å; L250-V279 HydrophobicContact CD1-CG2 3.54Å
251T98.3Very high98.6Very high103 Ų10333.9 Ų33.963%0.63219%0.192SC*.Hα-helixtrans-64.9-39-178-57.70000111.9L247 K248 G253L247-T251 WeakPolarHBondContact O-CB 3.39Å; L247-T251 PolarHBondContact O-N 3.45Å; L247-T251 PolarHBondContact O-OG1 2.98Å; K248-T251 PolarHBondContact O-N 2.92Å; T251-G253 PolarHBondContact O-N 3.48Å
252S98Very high98.5Very high83 Ų8333.9 Ų33.958%0.5819%0.192SC*.THydrogen-bonded Turntrans-74.8-11.2175.761.90000113.9K248 G249 L250 H254K248-S252 WeakPolarHBondContact O-CB 3.4Å; K248-S252 PolarHBondContact O-N 2.74Å; K248-S252 PolarHBondContact O-OG 2.86Å; G249-S252 PolarHBondContact O-OG 3.45Å; G249-S252 VanDerWaalsContact O-OG 3.07Å; L250-S252 PolarHBondContact O-N 3.46Å; S252-H254 PolarHBondContact O-N 3.43Å; S252-H254 PolarHBondContact OG-N 3.26Å
253G97.9Very high98.5Very high34 Ų3432.4 Ų32.435%0.35118%0.183SC..THydrogen-bonded Turntrans71.211.9-173.500000114.1G249 L250 T251G249-G253 PolarHBondContact O-N 2.87Å; L250-G253 PolarHBondContact O-N 2.92Å; L250-G253 VanDerWaalsContact O-N 3.08Å; T251-G253 PolarHBondContact O-N 3.48Å
254H98.6Very high98.4Very high41 Ų4135.3 Ų35.319%0.1920%0.197CC..SBendtrans-67.7-42.1169.7-170.4100.9000110.4L223 C226 G229 G249 S252L223-H254 PolarHBondContact O-CD2 2.59Å; L223-H254 PolarHBondContact O-NE2 2.85Å; C226-H254 PolarHBondContact O-NE2 2.94Å; G229-H254 PolarHBondContact N-O 2.82Å; G249-H254 PolarHBondContact O-N 3.39Å; S252-H254 PolarHBondContact O-N 3.43Å; S252-H254 PolarHBondContact OG-N 3.26Å
255V98.8Very high98.3Very high0 Ų035.2 Ų35.20%019%0.194CC..EExtended strand (participates in β ladder)trans-94.6117.9169.1-178.30000107.7L223 V230 L232 L246 G249 L250 G257L223-V255 HydrophobicContact CD2-CG2 3.88Å; V230-V255 HydrophobicContact CG1-CG2 4.16Å; V230-V255 CarbonylContact O-C 3.24Å; V230-V255 WeakPolarHBondContact O-CA 3.15Å; L232-V255 HydrophobicContact CD1-CG1 4.36Å; L232-V255 HydrophobicContact CG-CG1 4.34Å; L246-V255 HydrophobicContact CD1-CG1 4.18Å; G249-V255 PolarHBondContact O-N 2.8Å; L250-V255 HydrophobicContact CD2-CB 4.15Å; L250-V255 HydrophobicContact CD2-CG1 3.77Å; L250-V255 HydrophobicContact CG-CB 4.31Å; L250-V255 HydrophobicContact CG-CG1 4.24Å; V255-G257 VanDerWaalsContact C-N 3.29Å; V255-G257 PolarHBondContact O-N 3.11Å
256A98.4Very high98Very high29 Ų2937.2 Ų37.224%0.2420%0.204CC..EExtended strand (participates in β ladder)trans-74.7-21.4-177.800000113G229 V230 R231 N278G229-A256 VanDerWaalsContact O-CB 3.32Å; G229-A256 WeakPolarHBondContact O-CB 3.37Å; V230-A256 PolarHBondContact O-N 2.98Å; R231-A256 HydrophobicContact CG-CB 4.07Å; A256-N278 WeakPolarHBondContact O-CB 3.43Å
257G98.6Very high97.8Very high1 Ų143.2 Ų43.21%0.0124%0.242CC..EExtended strand (participates in β ladder)trans175.7163.9175.500000112.9R231 L232 V255 N278R231-G257 VanDerWaalsContact CA-O 3.32Å; R231-G257 WeakPolarHBondContact CA-O 3.32Å; L232-G257 PolarHBondContact N-O 2.78Å; V255-G257 VanDerWaalsContact C-N 3.29Å; V255-G257 PolarHBondContact O-N 3.11Å; G257-N278 CarbonylContact C-O 3.58Å; G257-N278 WeakPolarHBondContact CA-O 3.4Å
258A98.9Very high97.7Very high0 Ų043.2 Ų43.20%024%0.244CC..EExtended strand (participates in β ladder)trans-136.9144.117700000111.3L232 L246 L250 L260 N278 V279 I280L232-A258 HydrophobicContact CB-CB 4.42Å; L232-A258 CarbonylContact O-C 3.58Å; L232-A258 VanDerWaalsContact O-CA 3.25Å; L232-A258 WeakPolarHBondContact O-CA 3.4Å; L246-A258 HydrophobicContact CD1-CB 4.25Å; L246-A258 HydrophobicContact CD2-CB 4.13Å; L250-A258 HydrophobicContact CD2-CB 4.49Å; A258-L260 HydrophobicContact CB-CD2 4.3Å; A258-L260 HydrophobicContact CB-CG 4.31Å; A258-N278 PolarHBondContact N-O 2.78Å; A258-V279 HydrophobicContact CB-CG2 4.47Å; A258-V279 CarbonylContact O-C 3.51Å; A258-V279 VanDerWaalsContact O-CA 3.32Å; A258-V279 WeakPolarHBondContact O-CA 3.39Å; A258-I280 PolarHBondContact O-N 3.26Å
259A98.9Very high97.6Very high0 Ų042.1 Ų42.10%025%0.251CS..EExtended strand (participates in β ladder)trans-119.6114.1170.500000110.2L116 L120 L232 V233 N234 I280L116-A259 HydrophobicContact CB-CB 3.77Å; L116-A259 HydrophobicContact CD1-CB 4.15Å; L116-A259 HydrophobicContact CD2-CB 4.21Å; L116-A259 HydrophobicContact CG-CB 4.26Å; L120-A259 HydrophobicContact CB-CB 4.3Å; L120-A259 HydrophobicContact CD2-CB 4.12Å; L232-A259 PolarHBondContact O-N 3.28Å; V233-A259 WeakPolarHBondContact CA-O 3.36Å; V233-A259 HydrophobicContact CG1-CB 4.45Å; V233-A259 HydrophobicContact CG2-CB 4.16Å; N234-A259 PolarHBondContact N-O 3.03Å; A259-I280 CarbonylContact C-O 3.56Å; A259-I280 WeakPolarHBondContact CA-O 3.42Å; A259-I280 HydrophobicContact CB-CB 4.22Å
260L98.8Very high97.6Very high4 Ų443.5 Ų43.52%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-122.6113.4-167.7-54176.8000110.5N234 I241 L246 A258 L273 V279 I280 C281 T282N234-L260 HydrophobicContact CB-CD2 4.02Å; I241-L260 HydrophobicContact CD1-CD2 4.09Å; L246-L260 HydrophobicContact CD2-CD1 3.91Å; L246-L260 HydrophobicContact CD2-CD2 4.26Å; A258-L260 HydrophobicContact CB-CD2 4.3Å; A258-L260 HydrophobicContact CB-CG 4.31Å; L260-L273 HydrophobicContact CD1-CD1 4.42Å; L260-L273 HydrophobicContact CD1-CD2 3.59Å; L260-L273 HydrophobicContact CD1-CG 4.03Å; L260-V279 HydrophobicContact CD1-CG1 4.43Å; L260-I280 PolarHBondContact N-O 2.79Å; L260-C281 CarbonylContact O-C 3.49Å; L260-C281 WeakPolarHBondContact O-CA 3.3Å; L260-C281 WeakPolarHBondContact O-CB 3.39Å; L260-T282 PolarHBondContact O-N 2.88Å
261D98.5Very high97.5Very high1 Ų147.2 Ų47.21%0.00528%0.275CS..SBendtrans-89.3-14.8167.8-172.455.4000111.8M112 L116 N234 C235 T282 H284 I285 G286M112-D261 HydrophobicContact CE-CB 4.23Å; M112-D261 VanDerWaalsContact CE-OD1 3.29Å; M112-D261 WeakPolarHBondContact CE-OD1 3.25Å; L116-D261 HydrophobicContact CD1-CB 4.38Å; N234-D261 PolarHBondContact O-N 3.48Å; C235-D261 HydrophobicContact CB-CB 4.29Å; D261-T282 CarbonylContact C-O 3.56Å; D261-T282 WeakPolarHBondContact CA-OG1 3.23Å; D261-T282 WeakPolarHBondContact CB-OG1 3.36Å; D261-T282 VanDerWaalsContact O-O 3.1Å; D261-T282 WeakPolarHBondContact OD1-CB 3.37Å; D261-T282 PolarHBondContact OD1-OG1 2.83Å; D261-H284 WeakPolarHBondContact O-CA 3.25Å; D261-H284 WeakPolarHBondContact O-CB 3.39Å; D261-H284 PolarHBondContact O-N 2.89Å; D261-H284 WeakPolarHBondContact OD1-CA 3.36Å; D261-H284 PolarHBondContact OD1-N 2.84Å; D261-H284 WeakPolarHBondContact OD2-CA 3.42Å; D261-I285 WeakPolarHBondContact OD1-CG1 3.46Å; D261-I285 PolarHBondContact OD1-N 2.82Å; D261-I285 PolarHBondContact OD2-N 2.98Å; D261-I285 VanDerWaalsContact OD2-N 3.14Å; D261-G286 WeakPolarHBondContact OD2-CA 3.49Å; D261-G286 PolarHBondContact OD2-N 2.9Å
262V97.7Very high97.5Very high2 Ų248 Ų481%0.01228%0.275CS..  trans-131.9152.4-173.6-66.10000111.3N234 R237 E266N234-V262 HydrophobicContact CB-CG2 4.3Å; R237-V262 VanDerWaalsContact C-CG2 3.49Å; V262-E266 WeakPolarHBondContact CA-OE1 3.27Å; V262-E266 WeakPolarHBondContact CB-OE1 2.93Å
263F98.1Very high97.5Very high12 Ų1244 Ų445%0.05325%0.247CC..  trans-133.6155-176.8-63.8-89.5000111.4G238 E243 K265 E266 T268 L273 V274 C281G238-F263 VanDerWaalsContact CA-C 3.46Å; E243-F263 WeakPolarHBondContact OE1-CA 3.48Å; E243-F263 WeakPolarHBondContact OE1-CB 3.43Å; F263-K265 PolarHBondContact O-N 3.08Å; F263-E266 HydrophobicContact CB-CG 4.01Å; F263-E266 PolarHBondContact N-OE1 3.09Å; F263-T268 HydrophobicContact CD1-CG2 3.83Å; F263-T268 HydrophobicContact CD2-CG2 3.93Å; F263-T268 HydrophobicContact CE1-CG2 3.86Å; F263-T268 HydrophobicContact CE2-CG2 3.97Å; F263-T268 HydrophobicContact CG-CG2 3.85Å; F263-T268 HydrophobicContact CZ-CG2 3.9Å; F263-L273 HydrophobicContact CE1-CD2 4.46Å; F263-V274 HydrophobicContact CE1-CG2 3.91Å; F263-V274 HydrophobicContact CZ-CG2 3.95Å; F263-C281 HydrophobicContact CE2-CB 4.46Å; F263-C281 HydrophobicContact CZ-CB 3.72Å
264Q96.7Very high97.5Very high78 Ų7844.3 Ų44.336%0.36424%0.243SC..SBendtrans-59.7-32.5-179.9-66.8-171.9-90.800112E239 E243E239-Q264 HydrophobicContact CG-CB 4.5Å; E243-Q264 VanDerWaalsContact CB-OE1 3.29Å; E243-Q264 HydrophobicContact CG-CG 3.84Å; E243-Q264 PolarHBondContact OE1-N 3.28Å
265K95.5Very high97.5Very high143 Ų14349.8 Ų49.862%0.62227%0.266SS*.SBendtrans-127.2129172.3-178.3178.4178.2-179.20108.8F263 P267 T268F263-K265 PolarHBondContact O-N 3.08Å; K265-P267 CarbonylContact O-C 3.59Å; K265-T268 WeakPolarHBondContact O-CA 3.33Å; K265-T268 WeakPolarHBondContact O-CB 3.36Å; K265-T268 PolarHBondContact O-N 3.24Å
266E93.6Very high97.5Very high87 Ų8751.5 Ų51.541%0.40727%0.274SS..SBendtrans-124.8128-179.7-68.9179.9-176.800111.2V262 F263 H284V262-E266 WeakPolarHBondContact CA-OE1 3.27Å; V262-E266 WeakPolarHBondContact CB-OE1 2.93Å; F263-E266 HydrophobicContact CB-CG 4.01Å; F263-E266 PolarHBondContact N-OE1 3.09Å; E266-H284 IonicContact OE1-ND1 2.85Å; E266-H284 PolarHBondContact OE1-ND1 2.85Å; E266-H284 IonicContact OE2-CE1 3.3Å; E266-H284 IonicContact OE2-CG 3.37Å; E266-H284 IonicContact OE2-ND1 3.49Å; E266-H284 PolarHBondContact OE2-ND1 2.84Å
267P94.3Very high97.4Very high126 Ų12655.2 Ų55.282%0.81829%0.293SS*.SBendcis-61.6143.7-7.1-20.833.7000113K265K265-P267 CarbonylContact O-C 3.59Å
268T96.4Very high97.4Very high37 Ų3758.1 Ų58.123%0.22731%0.309CS..  trans-73.9142.4-178-172.50000112F263 K265 N270 V274F263-T268 HydrophobicContact CD1-CG2 3.83Å; F263-T268 HydrophobicContact CD2-CG2 3.93Å; F263-T268 HydrophobicContact CE1-CG2 3.86Å; F263-T268 HydrophobicContact CE2-CG2 3.97Å; F263-T268 HydrophobicContact CG-CG2 3.85Å; F263-T268 HydrophobicContact CZ-CG2 3.9Å; K265-T268 WeakPolarHBondContact O-CA 3.33Å; K265-T268 WeakPolarHBondContact O-CB 3.36Å; K265-T268 PolarHBondContact O-N 3.24Å; T268-N270 WeakPolarHBondContact OG1-CB 3.34Å; T268-N270 PolarHBondContact OG1-N 2.87Å; T268-V274 HydrophobicContact CG2-CG2 3.79Å
269S97Very high97.4Very high92 Ų9258.8 Ų58.864%0.64331%0.313SS*.  trans-106.31.4166.556.40000112.3M271S269-M271 VanDerWaalsContact C-N 3.26Å; S269-M271 PolarHBondContact O-N 3.26Å
270N97.3Very high97.4Very high37 Ų3759.3 Ų59.320%0.19832%0.315CS..  trans-79.274.7-178.5-170.4-11.8000110.8E243 T268 D272 L273 V274E243-N270 WeakPolarHBondContact OE2-CB 3.27Å; E243-N270 PolarHBondContact OE2-ND2 2.76Å; T268-N270 WeakPolarHBondContact OG1-CB 3.34Å; T268-N270 PolarHBondContact OG1-N 2.87Å; N270-D272 VanDerWaalsContact C-N 3.25Å; N270-D272 PolarHBondContact O-N 3.49Å; N270-L273 HydrophobicContact CB-CB 4.45Å; N270-L273 PolarHBondContact O-N 2.96Å; N270-L273 PolarHBondContact OD1-N 3.2Å; N270-V274 WeakPolarHBondContact O-CG2 3.45Å; N270-V274 PolarHBondContact O-N 3.47Å; N270-V274 VanDerWaalsContact O-N 3.14Å
271M98Very high97.3Very high82 Ų8261.2 Ų61.240%0.40433%0.328SS..Hα-helixtrans-72.2-19.7-176.6-65.5-50.6-54.200113.4S269 V274 K275S269-M271 VanDerWaalsContact C-N 3.26Å; S269-M271 PolarHBondContact O-N 3.26Å; M271-V274 HydrophobicContact CE-CB 3.94Å; M271-V274 HydrophobicContact CE-CG1 3.64Å; M271-V274 HydrophobicContact SD-CB 4.32Å; M271-V274 HydrophobicContact SD-CG1 4.42Å; M271-V274 HydrophobicContact SD-CG2 4.49Å; M271-K275 HydrophobicContact CB-CD 4.49Å; M271-K275 HydrophobicContact CE-CD 4.41Å; M271-K275 HydrophobicContact CE-CG 4.11Å; M271-K275 WeakPolarHBondContact O-CB 3.37Å; M271-K275 VanDerWaalsContact O-CG 3.23Å; M271-K275 WeakPolarHBondContact O-CG 3.28Å; M271-K275 PolarHBondContact O-N 2.95Å
272D98.3Very high97.3Very high118 Ų11862.6 Ų62.663%0.63134%0.337SS*.Hα-helixtrans-66.1-43.2174.5-65.2-24.6000110.3L247 N270 H276L247-D272 HydrophobicContact CD2-CB 3.8Å; N270-D272 VanDerWaalsContact C-N 3.25Å; N270-D272 PolarHBondContact O-N 3.49Å; D272-H276 WeakPolarHBondContact O-CB 3.25Å; D272-H276 PolarHBondContact O-N 3.38Å
273L98.1Very high97.3Very high0 Ų067.5 Ų67.50%037%0.369CS..Hα-helixtrans-69-46.7174.4-169.264.6000111.9E243 L246 L247 L250 L260 F263 N270 K275 H276 V279E243-L273 HydrophobicContact CB-CD2 4.08Å; E243-L273 HydrophobicContact CG-CD2 3.78Å; L246-L273 HydrophobicContact CD2-CD1 4.02Å; L246-L273 HydrophobicContact CD2-CD2 4.4Å; L246-L273 HydrophobicContact CG-CD1 4.24Å; L247-L273 HydrophobicContact CD1-CD1 4.44Å; L250-L273 HydrophobicContact CD1-CD1 3.75Å; L260-L273 HydrophobicContact CD1-CD1 4.42Å; L260-L273 HydrophobicContact CD1-CD2 3.59Å; L260-L273 HydrophobicContact CD1-CG 4.03Å; F263-L273 HydrophobicContact CE1-CD2 4.46Å; N270-L273 HydrophobicContact CB-CB 4.45Å; N270-L273 PolarHBondContact O-N 2.96Å; N270-L273 PolarHBondContact OD1-N 3.2Å; L273-K275 VanDerWaalsContact C-N 3.29Å; L273-K275 PolarHBondContact O-N 3.41Å; L273-H276 WeakPolarHBondContact O-CB 3.33Å; L273-H276 PolarHBondContact O-N 3.02Å; L273-V279 HydrophobicContact CD1-CG2 4.02Å; L273-V279 WeakPolarHBondContact O-CB 3.23Å; L273-V279 WeakPolarHBondContact O-CG1 3.37Å
274V98.4Very high97.1Very high41 Ų4170 Ų7025%0.24838%0.381CS..Hα-helixtrans-61.4-35.4-179.31700000112.5F263 T268 N270 M271F263-V274 HydrophobicContact CE1-CG2 3.91Å; F263-V274 HydrophobicContact CZ-CG2 3.95Å; T268-V274 HydrophobicContact CG2-CG2 3.79Å; N270-V274 WeakPolarHBondContact O-CG2 3.45Å; N270-V274 PolarHBondContact O-N 3.47Å; N270-V274 VanDerWaalsContact O-N 3.14Å; M271-V274 HydrophobicContact CE-CB 3.94Å; M271-V274 HydrophobicContact CE-CG1 3.64Å; M271-V274 HydrophobicContact SD-CB 4.32Å; M271-V274 HydrophobicContact SD-CG1 4.42Å; M271-V274 HydrophobicContact SD-CG2 4.49Å
275K97.9Very high97Very high155 Ų15569.8 Ų69.867%0.67438%0.381SS*.Hα-helixtrans-91.4-6-178.5-66.3175.9-179.5177.40113.6M271 L273 T277M271-K275 HydrophobicContact CB-CD 4.49Å; M271-K275 HydrophobicContact CE-CD 4.41Å; M271-K275 HydrophobicContact CE-CG 4.11Å; M271-K275 WeakPolarHBondContact O-CB 3.37Å; M271-K275 VanDerWaalsContact O-CG 3.23Å; M271-K275 WeakPolarHBondContact O-CG 3.28Å; M271-K275 PolarHBondContact O-N 2.95Å; L273-K275 VanDerWaalsContact C-N 3.29Å; L273-K275 PolarHBondContact O-N 3.41Å; K275-T277 PolarHBondContact O-N 2.95Å
276H98.4Very high96.9Very high37 Ų3763.2 Ų63.217%0.17135%0.354CS..  trans-62.7130.8-179.5-167.8-73.9000110.3D272 L273 N278 V279D272-H276 WeakPolarHBondContact O-CB 3.25Å; D272-H276 PolarHBondContact O-N 3.38Å; L273-H276 WeakPolarHBondContact O-CB 3.33Å; L273-H276 PolarHBondContact O-N 3.02Å; H276-N278 PolarHBondContact ND1-N 3.35Å; H276-N278 PolarHBondContact O-N 3.36Å; H276-N278 VanDerWaalsContact O-N 3.16Å; H276-V279 HydrophobicContact CB-CB 4.21Å; H276-V279 HydrophobicContact CB-CG2 3.79Å; H276-V279 WeakPolarHBondContact O-CB 3.43Å; H276-V279 PolarHBondContact O-N 3.4Å
277T96.4Very high96.6Very high106 Ų10660.5 Ų60.565%0.6535%0.346SS*.THydrogen-bonded Turntrans-60.2-32.5-171.551.70000113.9Q126 K275 V279Q126-T277 PolarHBondContact NE2-O 2.91Å; K275-T277 PolarHBondContact O-N 2.95Å; T277-V279 VanDerWaalsContact C-N 3.31Å
278N98.1Very high96.4Very high63 Ų6358 Ų5834%0.33733%0.332SS..THydrogen-bonded Turntrans-89.211.1177.8-59.3-23000113.9L250 A256 G257 A258 H276L250-N278 HydrophobicContact CD2-CB 4.3Å; A256-N278 WeakPolarHBondContact O-CB 3.43Å; G257-N278 CarbonylContact C-O 3.58Å; G257-N278 WeakPolarHBondContact CA-O 3.4Å; A258-N278 PolarHBondContact N-O 2.78Å; H276-N278 PolarHBondContact ND1-N 3.35Å; H276-N278 PolarHBondContact O-N 3.36Å; H276-N278 VanDerWaalsContact O-N 3.16Å
279V98.7Very high96.2Very high13 Ų1358 Ų588%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-107.2132.3176.41750000110.1L250 A258 L260 L273 H276 T277 C281L250-V279 HydrophobicContact CD1-CG2 3.54Å; A258-V279 HydrophobicContact CB-CG2 4.47Å; A258-V279 CarbonylContact O-C 3.51Å; A258-V279 VanDerWaalsContact O-CA 3.32Å; A258-V279 WeakPolarHBondContact O-CA 3.39Å; L260-V279 HydrophobicContact CD1-CG1 4.43Å; L273-V279 HydrophobicContact CD1-CG2 4.02Å; L273-V279 WeakPolarHBondContact O-CB 3.23Å; L273-V279 WeakPolarHBondContact O-CG1 3.37Å; H276-V279 HydrophobicContact CB-CB 4.21Å; H276-V279 HydrophobicContact CB-CG2 3.79Å; H276-V279 WeakPolarHBondContact O-CB 3.43Å; H276-V279 PolarHBondContact O-N 3.4Å; T277-V279 VanDerWaalsContact C-N 3.31Å; V279-C281 HydrophobicContact CG1-CB 4.25Å
280I98.8Very high96Very high11 Ų1158.6 Ų58.66%0.05633%0.331CS..EExtended strand (participates in β ladder)trans-107.9130.8164.3-63.7170000106.2L116 A119 L120 P125 A258 A259 L260L116-I280 HydrophobicContact CD2-CG2 3.93Å; A119-I280 VanDerWaalsContact C-CD1 3.5Å; A119-I280 HydrophobicContact CB-CD1 3.96Å; L120-I280 HydrophobicContact CB-CD1 4.17Å; L120-I280 HydrophobicContact CD1-CD1 4.18Å; P125-I280 HydrophobicContact CB-CG1 4.47Å; P125-I280 HydrophobicContact CG-CB 4.5Å; P125-I280 HydrophobicContact CG-CD1 3.82Å; P125-I280 HydrophobicContact CG-CG1 3.92Å; P125-I280 HydrophobicContact CG-CG2 3.82Å; A258-I280 PolarHBondContact O-N 3.26Å; A259-I280 CarbonylContact C-O 3.56Å; A259-I280 WeakPolarHBondContact CA-O 3.42Å; A259-I280 HydrophobicContact CB-CB 4.22Å; L260-I280 PolarHBondContact N-O 2.79Å
281C98.5Very high95.8Very high44 Ų4462.1 Ų62.130%0.29735%0.347SS..EExtended strand (participates in β ladder)trans-141.3152178.260.90000114.2L260 F263 V279L260-C281 CarbonylContact O-C 3.49Å; L260-C281 WeakPolarHBondContact O-CA 3.3Å; L260-C281 WeakPolarHBondContact O-CB 3.39Å; F263-C281 HydrophobicContact CE2-CB 4.46Å; F263-C281 HydrophobicContact CZ-CB 3.72Å; V279-C281 HydrophobicContact CG1-CB 4.25Å
282T98.4Very high95.5Very high30 Ų3058.2 Ų58.218%0.18433%0.328CS..  trans-136.8156.2179.149.20000110.4M112 L260 D261 H284 I285M112-T282 HydrophobicContact CE-CG2 3.91Å; M112-T282 WeakPolarHBondContact CE-OG1 3.44Å; L260-T282 PolarHBondContact O-N 2.88Å; D261-T282 CarbonylContact C-O 3.56Å; D261-T282 WeakPolarHBondContact CA-OG1 3.23Å; D261-T282 WeakPolarHBondContact CB-OG1 3.36Å; D261-T282 VanDerWaalsContact O-O 3.1Å; D261-T282 WeakPolarHBondContact OD1-CB 3.37Å; D261-T282 PolarHBondContact OD1-OG1 2.83Å; T282-H284 VanDerWaalsContact C-N 3.32Å; T282-H284 PolarHBondContact O-N 2.91Å; T282-H284 VanDerWaalsContact O-N 3.1Å; T282-I285 HydrophobicContact CG2-CD1 4.24Å
283P96.4Very high95.1Very high106 Ų10654.2 Ų54.269%0.68831%0.305SS*.SBendtrans-88.960.9-172.136-36000112.2I285P283-I285 HydrophobicContact CG-CG2 4.07Å
284H94.3Very high94.8Very high65 Ų6556 Ų5630%0.30132%0.315SS..SBendtrans54.757.4177.3-160.5159.3000113.6D261 E266 T282D261-H284 WeakPolarHBondContact O-CA 3.25Å; D261-H284 WeakPolarHBondContact O-CB 3.39Å; D261-H284 PolarHBondContact O-N 2.89Å; D261-H284 WeakPolarHBondContact OD1-CA 3.36Å; D261-H284 PolarHBondContact OD1-N 2.84Å; D261-H284 WeakPolarHBondContact OD2-CA 3.42Å; E266-H284 IonicContact OE1-ND1 2.85Å; E266-H284 PolarHBondContact OE1-ND1 2.85Å; E266-H284 IonicContact OE2-CE1 3.3Å; E266-H284 IonicContact OE2-CG 3.37Å; E266-H284 IonicContact OE2-ND1 3.49Å; E266-H284 PolarHBondContact OE2-ND1 2.84Å; T282-H284 VanDerWaalsContact C-N 3.32Å; T282-H284 PolarHBondContact O-N 2.91Å; T282-H284 VanDerWaalsContact O-N 3.1Å
285I94.3Very high94.5Very high73 Ų7357.7 Ų57.737%0.37432%0.316SS..  trans-111.28.8-176.457.9162.4000113.8M112 D261 T282 P283 A287 S288M112-I285 HydrophobicContact CE-CD1 4.02Å; M112-I285 HydrophobicContact CE-CG1 3.6Å; D261-I285 WeakPolarHBondContact OD1-CG1 3.46Å; D261-I285 PolarHBondContact OD1-N 2.82Å; D261-I285 PolarHBondContact OD2-N 2.98Å; D261-I285 VanDerWaalsContact OD2-N 3.14Å; T282-I285 HydrophobicContact CG2-CD1 4.24Å; P283-I285 HydrophobicContact CG-CG2 4.07Å; I285-A287 PolarHBondContact O-N 2.89Å; I285-S288 WeakPolarHBondContact O-CB 3.4Å; I285-S288 PolarHBondContact O-N 3.04Å
286G93.1Very high94.2Very high5 Ų550.3 Ų50.35%0.05229%0.285CS..THydrogen-bonded Turntrans-58.6-23.8-177.800000114.9S108 A109 D261S108-G286 CarbonylContact C-O 3.58Å; S108-G286 WeakPolarHBondContact CB-O 3.4Å; S108-G286 VanDerWaalsContact O-O 3.14Å; A109-G286 WeakPolarHBondContact CA-O 3.39Å; A109-G286 PolarHBondContact N-O 3.28Å; A109-G286 VanDerWaalsContact N-O 3.13Å; D261-G286 WeakPolarHBondContact OD2-CA 3.49Å; D261-G286 PolarHBondContact OD2-N 2.9Å
287A87.7Confident93.8Very high29 Ų2948.6 Ų48.624%0.2428%0.277CS..THydrogen-bonded Turntrans-98.1-1.5173.500000114.2N105 I285 T289 A292 Q293N105-A287 HydrophobicContact CB-CB 3.88Å; I285-A287 PolarHBondContact O-N 2.89Å; A287-T289 VanDerWaalsContact C-N 3.32Å; A287-T289 PolarHBondContact O-N 2.78Å; A287-A292 VanDerWaalsContact O-CB 3.29Å; A287-A292 WeakPolarHBondContact O-CB 3.4Å; A287-Q293 PolarHBondContact O-NE2 2.78Å; A287-Q293 VanDerWaalsContact O-NE2 3.15Å
288S89.9Confident93.5Very high75 Ų7547.5 Ų47.552%0.52426%0.264SS..  trans-89.555.8-166.1-64.10000113I285I285-S288 WeakPolarHBondContact O-CB 3.4Å; I285-S288 PolarHBondContact O-N 3.04Å
289T93.2Very high93.3Very high37 Ų3746.7 Ų46.723%0.22726%0.258CS..SBendtrans-112.6149.9172.282.60000111.7S108 A287 E291 A292 Q293S108-T289 PolarHBondContact OG-OG1 3.02Å; A287-T289 VanDerWaalsContact C-N 3.32Å; A287-T289 PolarHBondContact O-N 2.78Å; T289-E291 WeakPolarHBondContact CB-OE2 3.38Å; T289-E291 PolarHBondContact O-N 3.16Å; T289-E291 VanDerWaalsContact O-N 3.13Å; T289-E291 PolarHBondContact OG1-OE2 2.95Å; T289-E291 VanDerWaalsContact OG1-OE2 3.05Å; T289-A292 PolarHBondContact O-N 2.81Å; T289-A292 VanDerWaalsContact O-N 3.08Å; T289-A292 PolarHBondContact OG1-N 2.74Å; T289-Q293 WeakPolarHBondContact O-CG 3.36Å; T289-Q293 PolarHBondContact O-N 3.37Å
290V92.3Very high93.1Very high103 Ų10346.1 Ų46.162%0.62426%0.255SS*.Hα-helixtrans-51.4-40.6-179177.60000111.4Q293 D294V290-Q293 WeakPolarHBondContact O-CB 3.31Å; V290-Q293 PolarHBondContact O-N 3.22Å; V290-D294 PolarHBondContact O-N 3.04Å
291E93.3Very high92.8Very high111 Ų11145.6 Ų45.652%0.51925%0.252SS..Hα-helixtrans-70.8-41.8-178.4-5571.4-157.800112.1T289 Q293 D294 R295T289-E291 WeakPolarHBondContact CB-OE2 3.38Å; T289-E291 PolarHBondContact O-N 3.16Å; T289-E291 VanDerWaalsContact O-N 3.13Å; T289-E291 PolarHBondContact OG1-OE2 2.95Å; T289-E291 VanDerWaalsContact OG1-OE2 3.05Å; E291-Q293 VanDerWaalsContact C-N 3.33Å; E291-D294 PolarHBondContact O-N 2.93Å; E291-R295 WeakPolarHBondContact O-CG 3.08Å; E291-R295 PolarHBondContact O-N 2.96Å
292A91.8Very high92.6Very high0 Ų046.8 Ų46.80%026%0.256CS..Hα-helixtrans-64.2-42.9173.800000110.9S108 A287 T289 D294 R295 V296S108-A292 VanDerWaalsContact OG-CB 3.24Å; S108-A292 WeakPolarHBondContact OG-CB 3.37Å; A287-A292 VanDerWaalsContact O-CB 3.29Å; A287-A292 WeakPolarHBondContact O-CB 3.4Å; T289-A292 PolarHBondContact O-N 2.81Å; T289-A292 VanDerWaalsContact O-N 3.08Å; T289-A292 PolarHBondContact OG1-N 2.74Å; A292-D294 VanDerWaalsContact C-N 3.31Å; A292-D294 PolarHBondContact O-N 2.72Å; A292-R295 PolarHBondContact O-N 3.44Å; A292-V296 WeakPolarHBondContact O-CB 3.47Å; A292-V296 VanDerWaalsContact O-CG2 3.32Å; A292-V296 WeakPolarHBondContact O-CG2 3.41Å; A292-V296 PolarHBondContact O-N 3.08Å
293Q89.8Confident92.4Very high35 Ų3546 Ų4616%0.16425%0.251CS..Hα-helixtrans-57.9-45.7176.2-63.3-45.3-62.200111.1P19 A287 T289 V290 E291 A297P19-Q293 HydrophobicContact CG-CB 3.64Å; A287-Q293 PolarHBondContact O-NE2 2.78Å; A287-Q293 VanDerWaalsContact O-NE2 3.15Å; T289-Q293 WeakPolarHBondContact O-CG 3.36Å; T289-Q293 PolarHBondContact O-N 3.37Å; V290-Q293 WeakPolarHBondContact O-CB 3.31Å; V290-Q293 PolarHBondContact O-N 3.22Å; E291-Q293 VanDerWaalsContact C-N 3.33Å; Q293-A297 WeakPolarHBondContact O-CB 3.4Å; Q293-A297 PolarHBondContact O-N 2.65Å; Q293-A297 VanDerWaalsContact O-N 3.08Å
294D90.2Very high92.3Very high37 Ų3740.9 Ų40.920%0.19822%0.219CC..Hα-helixtrans-63.3-45.2175.6-84.6-2.7000111.8K21 V290 E291 A292 A297 H298K21-D294 IonicContact NZ-OD1 3.36Å; K21-D294 IonicContact NZ-OD2 2.64Å; K21-D294 PolarHBondContact NZ-OD2 2.95Å; V290-D294 PolarHBondContact O-N 3.04Å; E291-D294 PolarHBondContact O-N 2.93Å; A292-D294 VanDerWaalsContact C-N 3.31Å; A292-D294 PolarHBondContact O-N 2.72Å; D294-A297 WeakPolarHBondContact O-CB 3.37Å; D294-A297 PolarHBondContact O-N 3.06Å; D294-H298 PolarHBondContact O-N 3.38Å; D294-H298 VanDerWaalsContact O-N 3.09Å; D294-H298 PolarHBondContact O-ND1 3.27Å
295R92.3Very high92.2Very high76 Ų7638.9 Ų38.929%0.28721%0.21SC..Hα-helixtrans-61.2-46.3177.3-73.9-174.1-62.7-94.6-1.2112.6A104 S108 E291 A292 A297 H298 E299A104-R295 HydrophobicContact CB-CB 3.72Å; A104-R295 VanDerWaalsContact O-CZ 3.28Å; A104-R295 PolarHBondContact O-NE 2.97Å; A104-R295 PolarHBondContact O-NH2 3.18Å; S108-R295 PolarHBondContact OG-NH2 3.24Å; E291-R295 WeakPolarHBondContact O-CG 3.08Å; E291-R295 PolarHBondContact O-N 2.96Å; A292-R295 PolarHBondContact O-N 3.44Å; R295-A297 VanDerWaalsContact C-N 3.26Å; R295-A297 PolarHBondContact O-N 2.98Å; R295-H298 PolarHBondContact O-N 2.75Å; R295-H298 VanDerWaalsContact O-N 3.1Å; R295-E299 PolarHBondContact O-N 3.41Å
296V91.7Very high92.2Very high1 Ų138.9 Ų38.91%0.00622%0.216CC..Hα-helixtrans-55.1-45.9175.7167.30000110.1L18 A79 T101 A104 N105 A292 H298 E299 I300L18-V296 HydrophobicContact CD1-CG1 4.35Å; A79-V296 HydrophobicContact CB-CG1 3.67Å; T101-V296 HydrophobicContact CG2-CG1 4.3Å; A104-V296 HydrophobicContact CB-CB 4.17Å; A104-V296 HydrophobicContact CB-CG2 3.39Å; N105-V296 WeakPolarHBondContact OD1-CG2 3.49Å; A292-V296 WeakPolarHBondContact O-CB 3.47Å; A292-V296 VanDerWaalsContact O-CG2 3.32Å; A292-V296 WeakPolarHBondContact O-CG2 3.41Å; A292-V296 PolarHBondContact O-N 3.08Å; V296-H298 VanDerWaalsContact C-N 3.3Å; V296-H298 PolarHBondContact O-N 2.73Å; V296-E299 PolarHBondContact O-N 3.15Å; V296-I300 HydrophobicContact CG1-CD1 3.56Å; V296-I300 HydrophobicContact CG1-CG1 4.34Å; V296-I300 WeakPolarHBondContact O-CD1 3.33Å; V296-I300 VanDerWaalsContact O-CG1 3.25Å; V296-I300 WeakPolarHBondContact O-CG1 3.09Å; V296-I300 PolarHBondContact O-N 3.11Å
297A90.6Very high92.2Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-62.8-36.8-179.500000112.3P19 Q293 D294 R295 A301P19-A297 HydrophobicContact CB-CB 4.25Å; P19-A297 HydrophobicContact CG-CB 4.39Å; Q293-A297 WeakPolarHBondContact O-CB 3.4Å; Q293-A297 PolarHBondContact O-N 2.65Å; Q293-A297 VanDerWaalsContact O-N 3.08Å; D294-A297 WeakPolarHBondContact O-CB 3.37Å; D294-A297 PolarHBondContact O-N 3.06Å; R295-A297 VanDerWaalsContact C-N 3.26Å; R295-A297 PolarHBondContact O-N 2.98Å; A297-A301 WeakPolarHBondContact O-CB 3.31Å; A297-A301 PolarHBondContact O-N 2.72Å
298H90.8Very high92.4Very high83 Ų8340.1 Ų40.138%0.38422%0.217SC..Hα-helixtrans-71.6-42.1175-73.282.9000112.8D294 R295 V296 A301 N302D294-H298 PolarHBondContact O-N 3.38Å; D294-H298 VanDerWaalsContact O-N 3.09Å; D294-H298 PolarHBondContact O-ND1 3.27Å; R295-H298 PolarHBondContact O-N 2.75Å; R295-H298 VanDerWaalsContact O-N 3.1Å; V296-H298 VanDerWaalsContact C-N 3.3Å; V296-H298 PolarHBondContact O-N 2.73Å; H298-A301 PolarHBondContact O-N 3.24Å; H298-N302 WeakPolarHBondContact O-CB 3.4Å; H298-N302 PolarHBondContact O-N 3.3Å; H298-N302 PolarHBondContact O-ND2 3.33Å
299E93.1Very high92.4Very high47 Ų4742.3 Ų42.322%0.2222%0.218CC..Hα-helixtrans-63.6-44.3178-75.4-178.7-148.100111.5T101 A104 R295 V296 A301 N302 A303T101-E299 WeakPolarHBondContact CA-OE2 2.99Å; T101-E299 WeakPolarHBondContact CB-OE2 3.46Å; T101-E299 HydrophobicContact CG2-CB 3.55Å; A104-E299 WeakPolarHBondContact CA-OE1 3.12Å; A104-E299 WeakPolarHBondContact CB-OE1 3.42Å; A104-E299 PolarHBondContact N-OE1 3.03Å; R295-E299 PolarHBondContact O-N 3.41Å; V296-E299 PolarHBondContact O-N 3.15Å; E299-A301 VanDerWaalsContact C-N 3.35Å; E299-A301 PolarHBondContact O-N 3.16Å; E299-N302 PolarHBondContact O-N 3.17Å; E299-A303 WeakPolarHBondContact O-CB 3.47Å; E299-A303 PolarHBondContact O-N 3.3Å
300I94Very high91.6Very high0 Ų043.9 Ų43.90%023%0.23CC..Hα-helixtrans-58.9-47.5175.2-67.3160.1000110.9L18 I26 V55 I77 A79 T101 V296 N302 A303 L304L18-I300 HydrophobicContact CD1-CD1 3.6Å; L18-I300 HydrophobicContact CD2-CD1 4Å; L18-I300 HydrophobicContact CG-CD1 4.47Å; I26-I300 HydrophobicContact CD1-CG2 4.34Å; V55-I300 HydrophobicContact CG1-CD1 3.91Å; V55-I300 HydrophobicContact CG1-CG1 4.49Å; V55-I300 HydrophobicContact CG1-CG2 4.07Å; V55-I300 HydrophobicContact CG2-CG2 3.83Å; I77-I300 HydrophobicContact CD1-CG2 4.33Å; I77-I300 HydrophobicContact CG2-CG1 3.88Å; I77-I300 HydrophobicContact CG2-CG2 4.47Å; A79-I300 HydrophobicContact CB-CD1 3.53Å; T101-I300 HydrophobicContact CG2-CG1 3.92Å; V296-I300 HydrophobicContact CG1-CD1 3.56Å; V296-I300 HydrophobicContact CG1-CG1 4.34Å; V296-I300 WeakPolarHBondContact O-CD1 3.33Å; V296-I300 VanDerWaalsContact O-CG1 3.25Å; V296-I300 WeakPolarHBondContact O-CG1 3.09Å; V296-I300 PolarHBondContact O-N 3.11Å; I300-N302 VanDerWaalsContact C-N 3.31Å; I300-N302 PolarHBondContact O-N 3.38Å; I300-A303 PolarHBondContact O-N 2.88Å; I300-L304 HydrophobicContact CG2-CD1 3.95Å; I300-L304 WeakPolarHBondContact O-CG 3.4Å; I300-L304 PolarHBondContact O-N 3.1Å
301A93.2Very high89.9Confident0 Ų049.8 Ų49.80%025%0.247CC..Hα-helixtrans-60.6-43.9178.900000111.2K25 I26 A297 H298 E299 I305K25-A301 HydrophobicContact CB-CB 3.96Å; K25-A301 HydrophobicContact CD-CB 3.78Å; K25-A301 HydrophobicContact CG-CB 3.93Å; I26-A301 HydrophobicContact CD1-CB 4.32Å; I26-A301 HydrophobicContact CG1-CB 3.69Å; A297-A301 WeakPolarHBondContact O-CB 3.31Å; A297-A301 PolarHBondContact O-N 2.72Å; H298-A301 PolarHBondContact O-N 3.24Å; E299-A301 VanDerWaalsContact C-N 3.35Å; E299-A301 PolarHBondContact O-N 3.16Å; A301-I305 WeakPolarHBondContact O-CB 3.19Å; A301-I305 WeakPolarHBondContact O-CD1 3.43Å; A301-I305 WeakPolarHBondContact O-CG1 3.34Å; A301-I305 PolarHBondContact O-N 2.9Å
302N93.4Very high89.8Confident70 Ų7046.7 Ų46.737%0.37423%0.234SC..Hα-helixtrans-63.6-42.5176.5-71.6-14.3000112.2K25 H298 E299 I300 I305 S306K25-N302 WeakPolarHBondContact CE-OD1 3.5Å; K25-N302 PolarHBondContact NZ-OD1 2.83Å; H298-N302 WeakPolarHBondContact O-CB 3.4Å; H298-N302 PolarHBondContact O-N 3.3Å; H298-N302 PolarHBondContact O-ND2 3.33Å; E299-N302 PolarHBondContact O-N 3.17Å; I300-N302 VanDerWaalsContact C-N 3.31Å; I300-N302 PolarHBondContact O-N 3.38Å; N302-I305 PolarHBondContact O-N 2.99Å; N302-S306 WeakPolarHBondContact O-CB 3.44Å; N302-S306 PolarHBondContact O-N 3.4Å; N302-S306 PolarHBondContact O-OG 3.3Å
303A94.2Very high89.7Confident12 Ų1249.2 Ų49.210%0.09925%0.246CC..Hα-helixtrans-61.9-46.7178.700000111.5I77 E99 E299 I300 S306 F307I77-A303 HydrophobicContact CD1-CB 3.83Å; E99-A303 VanDerWaalsContact OE2-CB 3.26Å; E99-A303 WeakPolarHBondContact OE2-CB 3.29Å; E299-A303 WeakPolarHBondContact O-CB 3.47Å; E299-A303 PolarHBondContact O-N 3.3Å; I300-A303 PolarHBondContact O-N 2.88Å; A303-S306 PolarHBondContact O-N 3.27Å; A303-F307 VanDerWaalsContact O-CB 3.25Å; A303-F307 WeakPolarHBondContact O-CB 3.17Å; A303-F307 PolarHBondContact O-N 3.2Å
304L94.9Very high89.7Confident0 Ų049.9 Ų49.90%025%0.251CS..Hα-helixtrans-62.2-48.1176-69.7168.5000112.2I9 V12 I26 I31 A53 V55 I75 I77 I300 F307 D308I9-L304 HydrophobicContact CD1-CB 4.34Å; I9-L304 HydrophobicContact CD1-CD2 3.68Å; V12-L304 HydrophobicContact CG1-CD1 4.11Å; V12-L304 HydrophobicContact CG2-CD1 3.89Å; V12-L304 HydrophobicContact CG2-CD2 4.1Å; I26-L304 HydrophobicContact CD1-CD1 3.62Å; I26-L304 HydrophobicContact CG1-CD1 4Å; I26-L304 HydrophobicContact CG2-CD1 4.26Å; I31-L304 HydrophobicContact CD1-CB 4.44Å; A53-L304 HydrophobicContact CB-CD2 3.63Å; V55-L304 HydrophobicContact CG2-CD1 4.37Å; I75-L304 HydrophobicContact CG2-CD2 4Å; I77-L304 HydrophobicContact CD1-CD1 4.41Å; I77-L304 HydrophobicContact CD1-CD2 3.55Å; I77-L304 HydrophobicContact CD1-CG 3.54Å; I300-L304 HydrophobicContact CG2-CD1 3.95Å; I300-L304 WeakPolarHBondContact O-CG 3.4Å; I300-L304 PolarHBondContact O-N 3.1Å; L304-F307 PolarHBondContact O-N 3.17Å; L304-D308 WeakPolarHBondContact O-CB 3.18Å; L304-D308 PolarHBondContact O-N 3.41Å
305I93.3Very high89.6Confident23 Ų2350.7 Ų50.712%0.11825%0.254CS..Hα-helixtrans-63.7-44.6-180-68.8168.5000110.5K25 H29 A301 N302 F307 D308 Q309K25-I305 HydrophobicContact CG-CD1 4.29Å; H29-I305 HydrophobicContact CB-CD1 4Å; H29-I305 HydrophobicContact CB-CG1 3.9Å; A301-I305 WeakPolarHBondContact O-CB 3.19Å; A301-I305 WeakPolarHBondContact O-CD1 3.43Å; A301-I305 WeakPolarHBondContact O-CG1 3.34Å; A301-I305 PolarHBondContact O-N 2.9Å; N302-I305 PolarHBondContact O-N 2.99Å; I305-F307 VanDerWaalsContact C-N 3.34Å; I305-F307 PolarHBondContact O-N 2.72Å; I305-D308 PolarHBondContact O-N 3.07Å; I305-Q309 HydrophobicContact CG2-CG 4.41Å; I305-Q309 WeakPolarHBondContact O-CB 3.47Å; I305-Q309 VanDerWaalsContact O-CG 3.3Å; I305-Q309 WeakPolarHBondContact O-CG 3.49Å; I305-Q309 PolarHBondContact O-N 2.85Å
306S93.7Very high89.5Confident72 Ų7249.1 Ų49.150%0.50325%0.252SS..Hα-helixtrans-64.8-41.1179.3-57.70000110.9N302 A303 Q309 C310N302-S306 WeakPolarHBondContact O-CB 3.44Å; N302-S306 PolarHBondContact O-N 3.4Å; N302-S306 PolarHBondContact O-OG 3.3Å; A303-S306 PolarHBondContact O-N 3.27Å; S306-Q309 PolarHBondContact O-N 3.18Å; S306-C310 VanDerWaalsContact O-CB 3.27Å; S306-C310 WeakPolarHBondContact O-CB 3.25Å; S306-C310 PolarHBondContact O-N 3.43Å
307F93.6Very high89.3Confident23 Ų2352.3 Ų52.310%0.10127%0.268CS..Hα-helixtrans-63.2-45175.9-173.5-86.7000111.8R7 I9 K74 I75 K97 A303 L304 I305 Q309 C310R7-F307 HydrophobicContact CB-CE1 4.22Å; R7-F307 HydrophobicContact CG-CE1 4.21Å; R7-F307 HydrophobicContact CG-CZ 4.24Å; R7-F307 WeakPolarHBondContact O-CD1 3.38Å; R7-F307 WeakPolarHBondContact O-CE1 3.34Å; I9-F307 HydrophobicContact CD1-CB 4.28Å; I9-F307 HydrophobicContact CD1-CD1 3.68Å; I9-F307 HydrophobicContact CD1-CE1 4.48Å; I9-F307 HydrophobicContact CD1-CG 4.35Å; I9-F307 HydrophobicContact CG1-CD1 3.9Å; I9-F307 HydrophobicContact CG1-CE1 4.42Å; K74-F307 HydrophobicContact CB-CE1 3.73Å; K74-F307 HydrophobicContact CB-CZ 3.85Å; K74-F307 HydrophobicContact CD-CE1 4.46Å; I75-F307 HydrophobicContact CB-CD2 4.46Å; I75-F307 HydrophobicContact CB-CE2 4.4Å; I75-F307 HydrophobicContact CB-CZ 4.44Å; I75-F307 HydrophobicContact CD1-CB 4.16Å; I75-F307 HydrophobicContact CD1-CD2 3.92Å; I75-F307 HydrophobicContact CD1-CG 4.08Å; I75-F307 HydrophobicContact CG2-CD1 4.41Å; K97-F307 HydrophobicContact CB-CE2 3.93Å; K97-F307 HydrophobicContact CD-CD2 3.73Å; K97-F307 HydrophobicContact CD-CE2 3.77Å; K97-F307 HydrophobicContact CG-CE2 4.5Å; A303-F307 VanDerWaalsContact O-CB 3.25Å; A303-F307 WeakPolarHBondContact O-CB 3.17Å; A303-F307 PolarHBondContact O-N 3.2Å; L304-F307 PolarHBondContact O-N 3.17Å; I305-F307 VanDerWaalsContact C-N 3.34Å; I305-F307 PolarHBondContact O-N 2.72Å; F307-Q309 VanDerWaalsContact C-N 3.34Å; F307-Q309 PolarHBondContact O-N 2.71Å; F307-C310 PolarHBondContact O-N 3.18Å
308D91.5Very high89.2Confident38 Ų3856.1 Ų56.120%0.20329%0.287CS..Hα-helixtrans-62.5-37.6177.9-179.866.8000112.7R8 I9 H29 L304 I305R8-D308 VanDerWaalsContact CA-OD1 3.28Å; R8-D308 WeakPolarHBondContact CA-OD1 3.44Å; I9-D308 HydrophobicContact CB-CB 4.35Å; I9-D308 HydrophobicContact CG1-CB 4.27Å; I9-D308 PolarHBondContact N-OD1 3.34Å; H29-D308 IonicContact CD2-OD2 3.98Å; H29-D308 IonicContact NE2-OD2 3.73Å; H29-D308 PolarHBondContact NE2-OD2 3.32Å; L304-D308 WeakPolarHBondContact O-CB 3.18Å; L304-D308 PolarHBondContact O-N 3.41Å; I305-D308 PolarHBondContact O-N 3.07Å
309Q88.6Confident89.1Confident120 Ų12054 Ų5456%0.56128%0.28SS*.Hα-helixtrans-85.1-18.4-178.9-70.4-179.2-28.900114.6H29 I305 S306 F307 K311H29-Q309 PolarHBondContact CE1-NE2 3.23Å; I305-Q309 HydrophobicContact CG2-CG 4.41Å; I305-Q309 WeakPolarHBondContact O-CB 3.47Å; I305-Q309 VanDerWaalsContact O-CG 3.3Å; I305-Q309 WeakPolarHBondContact O-CG 3.49Å; I305-Q309 PolarHBondContact O-N 2.85Å; S306-Q309 PolarHBondContact O-N 3.18Å; F307-Q309 VanDerWaalsContact C-N 3.34Å; F307-Q309 PolarHBondContact O-N 2.71Å; Q309-K311 PolarHBondContact O-N 3.47Å; Q309-K311 VanDerWaalsContact O-N 3.15Å
310C77.5Confident88.8Confident70 Ų7054.6 Ų54.647%0.47329%0.285SS..  trans-69.8113.3-174.9-153.20000109.7R7 S306 F307R7-C310 WeakPolarHBondContact CD-O 3.3Å; R7-C310 PolarHBondContact NH1-O 2.82Å; R7-C310 PolarHBondContact NH1-SG 3.01Å; S306-C310 VanDerWaalsContact O-CB 3.27Å; S306-C310 WeakPolarHBondContact O-CB 3.25Å; S306-C310 PolarHBondContact O-N 3.43Å; F307-C310 PolarHBondContact O-N 3.18Å
311K57.5Low88.3Confident227 Ų22759.5 Ų59.599%0.98731%0.311SS*.  trans-69.30-179.8-64.2-177179.5-177.90113.2R7 Q309R7-K311 PolarHBondContact NH1-O 2.74Å; Q309-K311 PolarHBondContact O-N 3.47Å; Q309-K311 VanDerWaalsContact O-N 3.15Å

Retrieved 311 of 311 residues in 495.4 ms (Link to these results)

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