A0A077ZGX1_TRITR Loading...

ADP-ribosylation factor-related protein 1

Trans-Golgi-associated GTPase that regulates protein sorting. Controls the targeting of ARL1 and its effector to the trans-Golgi. Required for the lipidation of chylomicrons in the intestine and required for VLDL lipidation in the liver.

AlphaFold DB , UniProt , Accession A0A077ZGX1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 189 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
1M71.5Confident80.4Confident191 Ų191136.5 Ų136.594%0.94162%0.621SS**  0-53.30-148.3167.1-140.600112.5A3 L4 I5M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.47Å; M1-L4 PolarHBondContact O-N 3.28Å; M1-I5 PolarHBondContact O-N 3.2Å
2F81.5Confident80.1Confident182 Ų182134.5 Ų134.580%0.79862%0.617SS**Hα-helixtrans-57.3-37178.5-72.6-78.7000115.3L4 I5 R6F2-L4 PolarHBondContact O-N 3.3Å; F2-I5 PolarHBondContact O-N 2.92Å; F2-R6 WeakPolarHBondContact O-CB 3.36Å; F2-R6 PolarHBondContact O-N 3.4Å
3A83.6Confident79.6Confident57 Ų57131 Ų13147%0.47161%0.606SS.*Hα-helixtrans-60.1-45.1176.900000112M1 R6 E7M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.47Å; A3-R6 WeakPolarHBondContact O-CB 3.27Å; A3-R6 PolarHBondContact O-N 2.86Å; A3-E7 WeakPolarHBondContact O-CG 3.33Å; A3-E7 PolarHBondContact O-N 3.23Å
4L85.2Confident79.1Confident133 Ų133126.1 Ų126.170%0.69659%0.594SS**Hα-helixtrans-66-41.3179.4-64.8175.2000112.1M1 F2 R6 E7 L8M1-L4 PolarHBondContact O-N 3.28Å; F2-L4 PolarHBondContact O-N 3.3Å; L4-R6 VanDerWaalsContact C-N 3.29Å; L4-R6 PolarHBondContact O-N 2.83Å; L4-E7 PolarHBondContact O-N 3.33Å; L4-L8 VanDerWaalsContact O-CB 3.28Å; L4-L8 WeakPolarHBondContact O-CB 3.28Å; L4-L8 PolarHBondContact O-N 3.46Å
5I88.5Confident78.6Confident103 Ų103124.9 Ų124.953%0.52859%0.585SS.*Hα-helixtrans-63-40.3175.3-64.8170.1000110.1M1 F2 L8 W9M1-I5 PolarHBondContact O-N 3.2Å; F2-I5 PolarHBondContact O-N 2.92Å; I5-L8 PolarHBondContact O-N 2.82Å; I5-W9 WeakPolarHBondContact O-CB 3.48Å; I5-W9 PolarHBondContact O-N 2.82Å
6R83.7Confident79Confident163 Ų163123.6 Ų123.662%0.61558%0.584SS**Hα-helixtrans-65.4-43.2176.1-172.5-175.368.7-171.70.9112F2 A3 L4 W9 R10F2-R6 WeakPolarHBondContact O-CB 3.36Å; F2-R6 PolarHBondContact O-N 3.4Å; A3-R6 WeakPolarHBondContact O-CB 3.27Å; A3-R6 PolarHBondContact O-N 2.86Å; L4-R6 VanDerWaalsContact C-N 3.29Å; L4-R6 PolarHBondContact O-N 2.83Å; R6-W9 PolarHBondContact O-N 2.85Å; R6-R10 WeakPolarHBondContact O-CB 3.19Å; R6-R10 PolarHBondContact O-N 2.69Å
7E82.5Confident79.6Confident70 Ų70121.5 Ų121.533%0.32757%0.574SS.*Hα-helixtrans-66.4-39.8176.2-65.7-44.7127.400111.7A3 L4 R10 Y11A3-E7 WeakPolarHBondContact O-CG 3.33Å; A3-E7 PolarHBondContact O-N 3.23Å; L4-E7 PolarHBondContact O-N 3.33Å; E7-R10 PolarHBondContact O-N 2.83Å; E7-R10 IonicContact OE2-CZ 2.79Å; E7-R10 IonicContact OE2-NE 2.71Å; E7-R10 PolarHBondContact OE2-NE 2.82Å; E7-R10 IonicContact OE2-NH2 2.92Å; E7-R10 PolarHBondContact OE2-NH2 3.45Å; E7-Y11 VanDerWaalsContact O-CB 3.27Å; E7-Y11 WeakPolarHBondContact O-CB 3.22Å; E7-Y11 PolarHBondContact O-N 3.46Å
8L79.6Confident80.5Confident101 Ų101120.7 Ų120.753%0.52957%0.565SS.*Hα-helixtrans-64.3-46174.6-178.663.8000111.2L4 I5 R10 Y11 I12L4-L8 VanDerWaalsContact O-CB 3.28Å; L4-L8 WeakPolarHBondContact O-CB 3.28Å; L4-L8 PolarHBondContact O-N 3.46Å; I5-L8 PolarHBondContact O-N 2.82Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 2.97Å; L8-Y11 PolarHBondContact O-N 3.26Å; L8-I12 HydrophobicContact CD1-CD1 4.04Å; L8-I12 HydrophobicContact CD1-CG1 4.38Å; L8-I12 HydrophobicContact CG-CD1 3.85Å; L8-I12 WeakPolarHBondContact O-CB 3.24Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.47Å; L8-I12 PolarHBondContact O-N 3.4Å
9W78.3Confident81.3Confident172 Ų172117.1 Ų117.165%0.65255%0.547SS*.Hα-helixtrans-65.3-37.9177.1-166.977.2000111.6I5 R6 N13I5-W9 WeakPolarHBondContact O-CB 3.48Å; I5-W9 PolarHBondContact O-N 2.82Å; R6-W9 PolarHBondContact O-N 2.85Å; W9-N13 WeakPolarHBondContact CZ2-ND2 3.37Å; W9-N13 PolarHBondContact NE1-ND2 2.79Å; W9-N13 VanDerWaalsContact O-CB 3.28Å; W9-N13 WeakPolarHBondContact O-CB 3.19Å; W9-N13 VanDerWaalsContact O-CG 3.29Å; W9-N13 PolarHBondContact O-N 3.49Å; W9-N13 PolarHBondContact O-ND2 3.48Å
10R75.5Confident82.1Confident154 Ų154112.2 Ų112.258%0.58153%0.526SS*.Hα-helixtrans-64.5-41.5173-176.4-18069.988.1-0.8111.8R6 E7 L8 N13 S14R6-R10 WeakPolarHBondContact O-CB 3.19Å; R6-R10 PolarHBondContact O-N 2.69Å; E7-R10 PolarHBondContact O-N 2.83Å; E7-R10 IonicContact OE2-CZ 2.79Å; E7-R10 IonicContact OE2-NE 2.71Å; E7-R10 PolarHBondContact OE2-NE 2.82Å; E7-R10 IonicContact OE2-NH2 2.92Å; E7-R10 PolarHBondContact OE2-NH2 3.45Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 2.97Å; R10-N13 CarbonylContact O-C 3.56Å; R10-N13 PolarHBondContact O-N 3.18Å; R10-S14 WeakPolarHBondContact O-CB 3.28Å; R10-S14 PolarHBondContact O-N 3.38Å
11Y74.5Confident82.9Confident176 Ų176106.8 Ų106.869%0.6950%0.501SS*.Hα-helixtrans-66.5-44.6176.7175.6-102.5000111.6E7 L8 N13 S14E7-Y11 VanDerWaalsContact O-CB 3.27Å; E7-Y11 WeakPolarHBondContact O-CB 3.22Å; E7-Y11 PolarHBondContact O-N 3.46Å; L8-Y11 PolarHBondContact O-N 3.26Å; Y11-N13 VanDerWaalsContact C-N 3.28Å; Y11-N13 PolarHBondContact O-N 3.4Å; Y11-S14 PolarHBondContact O-N 3.27Å; Y11-S14 PolarHBondContact O-OG 2.86Å
12I76.7Confident84.1Confident112 Ų11297.9 Ų97.957%0.57446%0.457SS*.Hα-helixtrans-64.1-35.9177-68165.6000111.3L8L8-I12 HydrophobicContact CD1-CD1 4.04Å; L8-I12 HydrophobicContact CD1-CG1 4.38Å; L8-I12 HydrophobicContact CG-CD1 3.85Å; L8-I12 WeakPolarHBondContact O-CB 3.24Å; L8-I12 VanDerWaalsContact O-CG1 3.24Å; L8-I12 WeakPolarHBondContact O-CG1 3.47Å; L8-I12 PolarHBondContact O-N 3.4Å
13N73.2Confident84.9Confident89 Ų8989.2 Ų89.248%0.47642%0.419SS..THydrogen-bonded Turntrans-92.3-1.3179.7-66.9-30.6000113.9W9 R10 Y11W9-N13 WeakPolarHBondContact CZ2-ND2 3.37Å; W9-N13 PolarHBondContact NE1-ND2 2.79Å; W9-N13 VanDerWaalsContact O-CB 3.28Å; W9-N13 WeakPolarHBondContact O-CB 3.19Å; W9-N13 VanDerWaalsContact O-CG 3.29Å; W9-N13 PolarHBondContact O-N 3.49Å; W9-N13 PolarHBondContact O-ND2 3.48Å; R10-N13 CarbonylContact O-C 3.56Å; R10-N13 PolarHBondContact O-N 3.18Å; Y11-N13 VanDerWaalsContact C-N 3.28Å; Y11-N13 PolarHBondContact O-N 3.4Å
14S73.3Confident85.6Confident62 Ų6286.5 Ų86.543%0.43440%0.396SS..PPolyproline II helixtrans-70.6135.1176.958.10000109.1R10 Y11R10-S14 WeakPolarHBondContact O-CB 3.28Å; R10-S14 PolarHBondContact O-N 3.38Å; Y11-S14 PolarHBondContact O-N 3.27Å; Y11-S14 PolarHBondContact O-OG 2.86Å
15K70.8Confident86.2Confident108 Ų10880.4 Ų80.447%0.4736%0.364SS..PPolyproline II helixtrans-73.9143.9173-65.1178.2177.4-179.40108.6E17 G68K15-E17 PolarHBondContact O-N 3.1Å; K15-G68 WeakPolarHBondContact CB-O 3.35Å; K15-G68 WeakPolarHBondContact CD-O 3.45Å; K15-G68 WeakPolarHBondContact CG-O 3.33Å
16D85Confident86.4Confident104 Ų10477.2 Ų77.256%0.55635%0.348SS*.PPolyproline II helixtrans-58.7126.2168-62.6-42.9000108.8Y18 V69 Q70D16-Y18 HydrophobicContact CB-CE2 3.87Å; D16-V69 HydrophobicContact CB-CG1 4.46Å; D16-V69 WeakPolarHBondContact O-CG1 3.23Å; D16-Q70 PolarHBondContact O-N 2.93Å
17E89.8Confident86.9Confident89 Ų8974.2 Ų74.242%0.41635%0.345SS..EExtended strand (participates in β ladder)trans-110.7127.1-179.8-61.8-151.7178.300110K15 Q70 N72K15-E17 PolarHBondContact O-N 3.1Å; E17-Q70 CarbonylContact C-O 3.52Å; E17-Q70 WeakPolarHBondContact CA-O 3.38Å; E17-Q70 HydrophobicContact CG-CB 4.21Å; E17-Q70 PolarHBondContact OE1-NE2 2.95Å; E17-Q70 PolarHBondContact OE2-NE2 2.95Å; E17-Q70 VanDerWaalsContact OE2-NE2 3.1Å; E17-N72 PolarHBondContact OE2-ND2 2.93Å
18Y95Very high87.6Confident106 Ų10671 Ų7142%0.41633%0.329SS..EExtended strand (participates in β ladder)trans-120.8140.6174-62.5-88.4000111.9D16 V69 Q70 L71 N72 H94D16-Y18 HydrophobicContact CB-CE2 3.87Å; Y18-V69 HydrophobicContact CD2-CG1 3.46Å; Y18-V69 VanDerWaalsContact CD2-CG1 3.46Å; Y18-V69 HydrophobicContact CE2-CG1 3.67Å; Y18-Q70 PolarHBondContact N-O 3.12Å; Y18-L71 HydrophobicContact CD2-CD2 4.42Å; Y18-N72 PolarHBondContact O-N 3.33Å; Y18-H94 WeakPolarHBondContact CA-ND1 3.37Å; Y18-H94 HydrophobicContact CD1-CB 3.88Å; Y18-H94 AromaticContact CD1-CG 3.9Å; Y18-H94 AromaticContact CD1-ND1 3.67Å
19F96.6Very high88.3Confident52 Ų5266.7 Ų66.723%0.22831%0.31CS..EExtended strand (participates in β ladder)trans-101.3126177.4-63.2-81.5000110N72 W74 E92 H94 G95F19-N72 CarbonylContact C-O 3.59Å; F19-N72 WeakPolarHBondContact CA-O 3.26Å; F19-N72 HydrophobicContact CD1-CB 3.46Å; F19-N72 VanDerWaalsContact CD1-CB 3.46Å; F19-N72 HydrophobicContact CE1-CB 3.64Å; F19-N72 HydrophobicContact CG-CB 4.34Å; F19-W74 HydrophobicContact CB-CE3 4.45Å; F19-W74 HydrophobicContact CB-CH2 4.03Å; F19-W74 HydrophobicContact CB-CZ2 4.31Å; F19-W74 HydrophobicContact CB-CZ3 4.11Å; F19-W74 HydrophobicContact CD1-CD2 4.32Å; F19-W74 AromaticContact CD1-CE2 3.49Å; F19-W74 VanDerWaalsContact CD1-CE2 3.49Å; F19-W74 AromaticContact CD1-CH2 3.59Å; F19-W74 HydrophobicContact CD1-CH2 3.59Å; F19-W74 AromaticContact CD1-CZ2 3.1Å; F19-W74 HydrophobicContact CD1-CZ2 3.1Å; F19-W74 HydrophobicContact CD1-CZ3 4.38Å; F19-W74 AromaticContact CD1-NE1 3.93Å; F19-W74 HydrophobicContact CE1-CH2 4.19Å; F19-W74 AromaticContact CE1-CZ2 3.47Å; F19-W74 HydrophobicContact CE1-CZ2 3.47Å; F19-W74 VanDerWaalsContact CE1-CZ2 3.47Å; F19-W74 AromaticContact CG-CH2 3.8Å; F19-W74 HydrophobicContact CG-CH2 3.8Å; F19-W74 AromaticContact CG-CZ2 3.82Å; F19-W74 HydrophobicContact CG-CZ2 3.82Å; F19-W74 HydrophobicContact CG-CZ3 4.39Å; F19-W74 HydrophobicContact CZ-CZ2 4.44Å; F19-E92 WeakPolarHBondContact CB-O 3.35Å; F19-H94 AromaticContact CD2-CE1 3.72Å; F19-H94 AromaticContact CD2-ND1 3.99Å; F19-H94 PolarHBondContact N-ND1 3.19Å; F19-H94 PolarHBondContact O-N 2.87Å; F19-G95 PolarHBondContact O-N 3.24Å
20V97.8Very high89.1Confident19 Ų1959.1 Ų59.112%0.11528%0.282CS..EExtended strand (participates in β ladder)trans-121.6120.9-178.7-178.30000109.3N72 F73 W74 G95 V97V20-N72 PolarHBondContact N-O 3.41Å; V20-F73 HydrophobicContact CB-CD1 3.74Å; V20-F73 HydrophobicContact CB-CE1 3.84Å; V20-F73 HydrophobicContact CG1-CD1 3.85Å; V20-F73 HydrophobicContact CG1-CE1 3.76Å; V20-F73 HydrophobicContact CG2-CE1 4.34Å; V20-F73 CarbonylContact O-C 3.56Å; V20-F73 VanDerWaalsContact O-CA 3.3Å; V20-F73 WeakPolarHBondContact O-CA 3.32Å; V20-W74 PolarHBondContact O-N 2.94Å; V20-G95 WeakPolarHBondContact CA-O 3.49Å; V20-V97 HydrophobicContact CG1-CG2 3.82Å
21L97.8Very high90Very high0 Ų052.8 Ų52.80%026%0.26CS..EExtended strand (participates in β ladder)trans-80.4134.2175.4-69.1173.6000110.5L23 W74 L76 F90 S93 G95 I96 V97L21-L23 HydrophobicContact CB-CD1 4.14Å; L21-L23 HydrophobicContact CB-CD2 4.33Å; L21-L23 HydrophobicContact CB-CG 3.99Å; L21-L23 HydrophobicContact CD1-CD1 4.3Å; L21-W74 HydrophobicContact CD2-CB 3.98Å; L21-W74 HydrophobicContact CD2-CE3 3.71Å; L21-L76 HydrophobicContact CD2-CD1 4.25Å; L21-F90 HydrophobicContact CD1-CD1 3.64Å; L21-F90 HydrophobicContact CD1-CE1 4.19Å; L21-S93 VanDerWaalsContact CD1-CB 3.46Å; L21-G95 PolarHBondContact N-O 2.88Å; L21-I96 HydrophobicContact CB-CG1 4.24Å; L21-I96 HydrophobicContact CD1-CG1 4.36Å; L21-V97 PolarHBondContact O-N 2.85Å
22I98Very high90.9Very high3 Ų345.4 Ų45.42%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-108.4110.9168.1-49.5178.1000108K30 L33 L34 F73 W74 D75 L76 V97 V99I22-K30 HydrophobicContact CG2-CB 3.71Å; I22-K30 HydrophobicContact CG2-CD 4.18Å; I22-K30 HydrophobicContact CG2-CG 3.96Å; I22-L33 HydrophobicContact CG2-CD2 4.4Å; I22-L34 HydrophobicContact CD1-CB 3.91Å; I22-L34 HydrophobicContact CD1-CD1 4.07Å; I22-L34 HydrophobicContact CD1-CD2 4.35Å; I22-L34 HydrophobicContact CD1-CG 4.32Å; I22-F73 HydrophobicContact CD1-CB 4.03Å; I22-F73 HydrophobicContact CD1-CD1 3.79Å; I22-F73 HydrophobicContact CD1-CG 4.2Å; I22-F73 HydrophobicContact CG1-CB 4.48Å; I22-F73 HydrophobicContact CG1-CD1 3.97Å; I22-W74 PolarHBondContact N-O 3.27Å; I22-D75 HydrophobicContact CB-CB 4.44Å; I22-L76 PolarHBondContact O-N 3.01Å; I22-V97 WeakPolarHBondContact CA-O 3.43Å; I22-V97 HydrophobicContact CG1-CB 4.42Å; I22-V97 HydrophobicContact CG2-CG1 4.48Å; I22-V99 HydrophobicContact CG2-CG2 3.91Å
23L97.8Very high91.7Very high0 Ų040.3 Ų40.30%021%0.208CC..EExtended strand (participates in β ladder)trans-124.3168-171.6-55.7176.4000111L21 K30 L76 W86 F90 I96 V97 F98 V99 L118L21-L23 HydrophobicContact CB-CD1 4.14Å; L21-L23 HydrophobicContact CB-CD2 4.33Å; L21-L23 HydrophobicContact CB-CG 3.99Å; L21-L23 HydrophobicContact CD1-CD1 4.3Å; L23-K30 VanDerWaalsContact O-CD 3.29Å; L23-K30 WeakPolarHBondContact O-CD 3.33Å; L23-L76 HydrophobicContact CD2-CB 4.14Å; L23-L76 HydrophobicContact CD2-CD1 3.73Å; L23-L76 HydrophobicContact CD2-CG 4.24Å; L23-W86 HydrophobicContact CD2-CB 4.4Å; L23-W86 HydrophobicContact CD2-CD2 4.01Å; L23-W86 HydrophobicContact CD2-CG 3.93Å; L23-F90 HydrophobicContact CD1-CE1 4.03Å; L23-I96 HydrophobicContact CD1-CG2 4.09Å; L23-V97 PolarHBondContact N-O 3.22Å; L23-F98 HydrophobicContact CB-CD2 3.94Å; L23-F98 HydrophobicContact CB-CE2 4.41Å; L23-F98 WeakPolarHBondContact O-CA 3.24Å; L23-V99 PolarHBondContact O-N 2.78Å; L23-L118 HydrophobicContact CB-CD1 4.21Å; L23-L118 HydrophobicContact CD1-CD1 3.7Å; L23-L118 HydrophobicContact CD1-CD2 3.75Å; L23-L118 HydrophobicContact CD1-CG 4.38Å
24G97.6Very high92.6Very high0 Ų036.1 Ų36.10%019%0.185CC..SBendtrans126.6168.5-175.500000112.2K30 G78G24-K30 WeakPolarHBondContact O-CE 3.43Å; G24-K30 PolarHBondContact O-NZ 2.87Å; G24-G78 VanDerWaalsContact O-CA 3.22Å; G24-G78 WeakPolarHBondContact O-CA 3.47Å
25L97.2Very high93.4Very high6 Ų633.8 Ų33.83%0.03117%0.167CC..  trans-59.3160.3-174.7-59.2-170.4000113A28 K30 Q83 R107 E110 A114L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.46Å; L25-A28 PolarHBondContact O-N 2.94Å; L25-K30 PolarHBondContact O-NZ 2.93Å; L25-Q83 VanDerWaalsContact CD2-NE2 3.26Å; L25-R107 HydrophobicContact CD1-CB 3.93Å; L25-E110 HydrophobicContact CD1-CB 4.02Å; L25-E110 HydrophobicContact CD1-CG 3.91Å; L25-E110 HydrophobicContact CD2-CG 4.05Å; L25-A114 HydrophobicContact CD2-CB 3.97Å
26D94.8Very high94.3Very high36 Ų3629.8 Ų29.819%0.19315%0.152CC..THydrogen-bonded Turntrans-58.4151.2167.259.3-77.8000110.7A28 T55 G78 Q79 R107D26-A28 PolarHBondContact O-N 3.1Å; D26-T55 HydrophobicContact CB-CG2 4.36Å; D26-G78 VanDerWaalsContact N-C 3.31Å; D26-G78 PolarHBondContact N-O 3.13Å; D26-Q79 HydrophobicContact CB-CB 4.27Å; D26-Q79 WeakPolarHBondContact OD1-CA 2.91Å; D26-R107 PolarHBondContact O-NH2 2.83Å; D26-R107 VanDerWaalsContact O-NH2 3.15Å; D26-R107 IonicContact OD1-NH1 2.65Å; D26-R107 PolarHBondContact OD1-NH1 2.79Å; D26-R107 IonicContact OD2-CZ 2.63Å; D26-R107 IonicContact OD2-NH1 3.91Å; D26-R107 PolarHBondContact OD2-NH1 2.8Å; D26-R107 IonicContact OD2-NH2 2.72Å
27N93.5Very high94.6Very high100 Ų10025.9 Ų25.954%0.53513%0.132SC..THydrogen-bonded Turntrans64.3-2.8-175.4-166.561.7000116G29 K135N27-G29 PolarHBondContact O-N 3.22Å; N27-G29 VanDerWaalsContact O-N 3.08Å; N27-K135 PolarHBondContact ND2-NZ 3.07Å; N27-K135 VanDerWaalsContact ND2-NZ 3.18Å; N27-K135 VanDerWaalsContact O-CE 3.26Å; N27-K135 WeakPolarHBondContact O-CE 3.46Å; N27-K135 PolarHBondContact O-NZ 3.19Å
28A96.3Very high94.6Very high1 Ų122.5 Ų22.51%0.00812%0.115CC..SBendtrans-63.4-16.6176.900000114.4L25 D26 V99 D101 N134L25-A28 VanDerWaalsContact O-CB 3.29Å; L25-A28 WeakPolarHBondContact O-CB 3.46Å; L25-A28 PolarHBondContact O-N 2.94Å; D26-A28 PolarHBondContact O-N 3.1Å; A28-V99 HydrophobicContact CB-CB 4.37Å; A28-V99 HydrophobicContact CB-CG1 4.11Å; A28-V99 WeakPolarHBondContact O-CG1 3.49Å; A28-D101 HydrophobicContact CB-CB 4.35Å; A28-N134 PolarHBondContact O-ND2 3.38Å
29G95Very high94.2Very high12 Ų1220.2 Ų20.212%0.12411%0.113CC..SBendtrans100.418.3175.900000115.1N27 T31 T32 L33N27-G29 PolarHBondContact O-N 3.22Å; N27-G29 VanDerWaalsContact O-N 3.08Å; G29-T31 PolarHBondContact O-N 3.06Å; G29-T32 WeakPolarHBondContact O-CB 3.29Å; G29-T32 PolarHBondContact O-N 3.06Å; G29-L33 WeakPolarHBondContact O-CB 3.49Å; G29-L33 PolarHBondContact O-N 3.36Å
30K95.4Very high93.6Very high12 Ų1223.4 Ų23.45%0.05213%0.126CC..Hα-helixtrans-54.4-49.3179.4-58.5-170.8-56.4-70.80114.1I22 L23 G24 L25 L33 L34 D75 L76 V99I22-K30 HydrophobicContact CG2-CB 3.71Å; I22-K30 HydrophobicContact CG2-CD 4.18Å; I22-K30 HydrophobicContact CG2-CG 3.96Å; L23-K30 VanDerWaalsContact O-CD 3.29Å; L23-K30 WeakPolarHBondContact O-CD 3.33Å; G24-K30 WeakPolarHBondContact O-CE 3.43Å; G24-K30 PolarHBondContact O-NZ 2.87Å; L25-K30 PolarHBondContact O-NZ 2.93Å; K30-L33 WeakPolarHBondContact O-CB 3.32Å; K30-L33 PolarHBondContact O-N 2.81Å; K30-L34 PolarHBondContact O-N 3.08Å; K30-D75 VanDerWaalsContact CB-OD1 3.24Å; K30-D75 WeakPolarHBondContact CB-OD1 3.33Å; K30-L76 WeakPolarHBondContact CE-O 3.4Å; K30-V99 HydrophobicContact CG-CB 3.87Å; K30-V99 HydrophobicContact CG-CG2 3.85Å
31T93.9Very high93Very high22 Ų2226.7 Ų26.714%0.13514%0.14CC..Hα-helixtrans-67.6-41.9179.6-48.70000111.6G29 L33 L34 E35 I53 T56 D75G29-T31 PolarHBondContact O-N 3.06Å; T31-L33 VanDerWaalsContact C-N 3.29Å; T31-L33 PolarHBondContact O-N 3.45Å; T31-L34 PolarHBondContact O-N 2.76Å; T31-E35 WeakPolarHBondContact O-CG 3.36Å; T31-E35 PolarHBondContact O-N 3.07Å; T31-I53 HydrophobicContact CG2-CD1 4.4Å; T31-I53 HydrophobicContact CG2-CG2 3.71Å; T31-T56 PolarHBondContact OG1-OG1 3.32Å; T31-D75 WeakPolarHBondContact CA-OD2 3.42Å; T31-D75 WeakPolarHBondContact CB-OD2 3.26Å; T31-D75 PolarHBondContact OG1-OD2 3.3Å
32T93.1Very high92.3Very high21 Ų2129.1 Ų29.113%0.12915%0.154CC..Hα-helixtrans-58-43.8173.1-48.70000111.3G29 L34 E35 V36 L50 A170 L171G29-T32 WeakPolarHBondContact O-CB 3.29Å; G29-T32 PolarHBondContact O-N 3.06Å; T32-L34 VanDerWaalsContact C-N 3.32Å; T32-L34 PolarHBondContact O-N 3.01Å; T32-E35 PolarHBondContact O-N 3.29Å; T32-V36 WeakPolarHBondContact O-CG2 3.32Å; T32-V36 PolarHBondContact O-N 3.28Å; T32-L50 HydrophobicContact CG2-CD2 4.35Å; T32-A170 HydrophobicContact CG2-CB 3.88Å; T32-L171 HydrophobicContact CG2-CD2 3.72Å; T32-L171 HydrophobicContact CG2-CG 4.44Å
33L92.8Very high91.1Very high5 Ų535 Ų353%0.02620%0.196CC..Hα-helixtrans-55.6-47.5175.6-161.787.6000111.6I22 G29 K30 T31 T37 V97 V99 I132 A170 F174I22-L33 HydrophobicContact CG2-CD2 4.4Å; G29-L33 WeakPolarHBondContact O-CB 3.49Å; G29-L33 PolarHBondContact O-N 3.36Å; K30-L33 WeakPolarHBondContact O-CB 3.32Å; K30-L33 PolarHBondContact O-N 2.81Å; T31-L33 VanDerWaalsContact C-N 3.29Å; T31-L33 PolarHBondContact O-N 3.45Å; L33-T37 WeakPolarHBondContact O-CB 3.43Å; L33-T37 PolarHBondContact O-N 3.15Å; L33-T37 PolarHBondContact O-OG1 3.03Å; L33-V97 HydrophobicContact CD2-CG1 3.87Å; L33-V99 HydrophobicContact CD2-CG2 3.9Å; L33-I132 HydrophobicContact CD1-CD1 4.21Å; L33-I132 HydrophobicContact CD1-CG2 4.23Å; L33-I132 HydrophobicContact CD2-CD1 3.77Å; L33-A170 HydrophobicContact CD1-CB 4.11Å; L33-F174 HydrophobicContact CD1-CE1 3.41Å; L33-F174 VanDerWaalsContact CD1-CE1 3.41Å; L33-F174 HydrophobicContact CD1-CE2 4.17Å; L33-F174 HydrophobicContact CD1-CZ 3.08Å; L33-F174 HydrophobicContact CD2-CZ 4.35Å; L33-F174 HydrophobicContact CG-CE1 4.27Å; L33-F174 HydrophobicContact CG-CE2 4.44Å; L33-F174 HydrophobicContact CG-CZ 3.53Å
34L93Very high89.9Confident0 Ų044.7 Ų44.70%024%0.238CC..Hα-helixtrans-66.5-43.6179.9-179.453.9000111.9I22 K30 T31 T32 V36 T37 K38 F73 D75I22-L34 HydrophobicContact CD1-CB 3.91Å; I22-L34 HydrophobicContact CD1-CD1 4.07Å; I22-L34 HydrophobicContact CD1-CD2 4.35Å; I22-L34 HydrophobicContact CD1-CG 4.32Å; K30-L34 PolarHBondContact O-N 3.08Å; T31-L34 PolarHBondContact O-N 2.76Å; T32-L34 VanDerWaalsContact C-N 3.32Å; T32-L34 PolarHBondContact O-N 3.01Å; L34-V36 PolarHBondContact O-N 3.25Å; L34-T37 PolarHBondContact O-N 3.41Å; L34-K38 HydrophobicContact CD1-CG 4.39Å; L34-K38 WeakPolarHBondContact O-CG 3.38Å; L34-K38 PolarHBondContact O-N 3.27Å; L34-F73 HydrophobicContact CD1-CB 3.47Å; L34-F73 VanDerWaalsContact CD1-CB 3.47Å; L34-F73 HydrophobicContact CD1-CD2 3.86Å; L34-F73 HydrophobicContact CD1-CG 3.71Å; L34-F73 HydrophobicContact CD2-CB 4.28Å; L34-D75 HydrophobicContact CD2-CB 3.72Å
35E91.1Very high89Confident14 Ų1448.2 Ų48.27%0.06525%0.252CS..Hα-helixtrans-60.3-44.3176-70.1-52134.500112.5T31 T32 T37 K38 T39 Y45 L50 I53T31-E35 WeakPolarHBondContact O-CG 3.36Å; T31-E35 PolarHBondContact O-N 3.07Å; T32-E35 PolarHBondContact O-N 3.29Å; E35-T37 VanDerWaalsContact C-N 3.35Å; E35-K38 VanDerWaalsContact CD-NZ 3.3Å; E35-K38 PolarHBondContact O-N 3.16Å; E35-K38 VanDerWaalsContact OE1-CE 3.26Å; E35-K38 WeakPolarHBondContact OE1-CE 3.38Å; E35-K38 IonicContact OE1-NZ 2.69Å; E35-K38 PolarHBondContact OE1-NZ 2.84Å; E35-K38 WeakPolarHBondContact OE2-CE 3.15Å; E35-K38 IonicContact OE2-NZ 3.18Å; E35-K38 PolarHBondContact OE2-NZ 2.93Å; E35-T39 PolarHBondContact O-N 3.23Å; E35-T39 PolarHBondContact O-OG1 2.97Å; E35-Y45 WeakPolarHBondContact OE2-CE1 3.17Å; E35-Y45 PolarHBondContact OE2-OH 2.94Å; E35-L50 HydrophobicContact CB-CD2 3.83Å; E35-L50 HydrophobicContact CG-CD2 4.42Å; E35-I53 HydrophobicContact CG-CD1 3.94Å
36V89.5Confident87.9Confident23 Ų2356.9 Ų56.914%0.13929%0.289CS..Hα-helixtrans-66.4-39177.8170.40000111.3T32 L34 T39 K40 L50 A170 F174T32-V36 WeakPolarHBondContact O-CG2 3.32Å; T32-V36 PolarHBondContact O-N 3.28Å; L34-V36 PolarHBondContact O-N 3.25Å; V36-T39 PolarHBondContact O-N 2.9Å; V36-K40 WeakPolarHBondContact O-CB 3.18Å; V36-K40 PolarHBondContact O-N 3.45Å; V36-L50 HydrophobicContact CG2-CD1 4.25Å; V36-A170 WeakPolarHBondContact CG2-O 3.45Å; V36-F174 HydrophobicContact CG1-CD2 4.49Å; V36-F174 HydrophobicContact CG1-CE2 4.35Å
37T89.9Confident86.8Confident22 Ų2257.6 Ų57.614%0.13530%0.297CS..Hα-helixtrans-62.8-46.3175.7-57.40000110.9L33 L34 E35 T39 K40 F41 V64 F73L33-T37 WeakPolarHBondContact O-CB 3.43Å; L33-T37 PolarHBondContact O-N 3.15Å; L33-T37 PolarHBondContact O-OG1 3.03Å; L34-T37 PolarHBondContact O-N 3.41Å; E35-T37 VanDerWaalsContact C-N 3.35Å; T37-T39 VanDerWaalsContact C-N 3.33Å; T37-T39 PolarHBondContact O-N 3.19Å; T37-K40 PolarHBondContact O-N 3.46Å; T37-F41 HydrophobicContact CG2-CD2 3.87Å; T37-F41 HydrophobicContact CG2-CE2 4.11Å; T37-F41 WeakPolarHBondContact O-CD2 3.3Å; T37-F41 PolarHBondContact O-N 2.85Å; T37-F41 VanDerWaalsContact O-N 3.15Å; T37-V64 HydrophobicContact CG2-CG2 4.33Å; T37-F73 HydrophobicContact CG2-CE2 4.32Å; T37-F73 HydrophobicContact CG2-CZ 4.39Å
38K89.7Confident85.8Confident18 Ų1855.2 Ų55.28%0.07829%0.291CS..Hα-helixtrans-58.3-44.8175.2-74.3-176.6-67.1-178.80112L34 E35 K40 T42 Y45 V64L34-K38 HydrophobicContact CD1-CG 4.39Å; L34-K38 WeakPolarHBondContact O-CG 3.38Å; L34-K38 PolarHBondContact O-N 3.27Å; E35-K38 VanDerWaalsContact CD-NZ 3.3Å; E35-K38 PolarHBondContact O-N 3.16Å; E35-K38 VanDerWaalsContact OE1-CE 3.26Å; E35-K38 WeakPolarHBondContact OE1-CE 3.38Å; E35-K38 IonicContact OE1-NZ 2.69Å; E35-K38 PolarHBondContact OE1-NZ 2.84Å; E35-K38 WeakPolarHBondContact OE2-CE 3.15Å; E35-K38 IonicContact OE2-NZ 3.18Å; E35-K38 PolarHBondContact OE2-NZ 2.93Å; K38-K40 PolarHBondContact O-N 2.86Å; K38-T42 WeakPolarHBondContact O-CB 3.31Å; K38-T42 PolarHBondContact O-N 2.89Å; K38-T42 PolarHBondContact O-OG1 2.74Å; K38-Y45 HydrophobicContact CB-CD1 3.72Å; K38-Y45 HydrophobicContact CB-CD2 4.49Å; K38-Y45 HydrophobicContact CB-CE1 3.65Å; K38-Y45 HydrophobicContact CB-CE2 4.45Å; K38-Y45 HydrophobicContact CB-CG 4.15Å; K38-Y45 HydrophobicContact CD-CE1 4.34Å; K38-Y45 HydrophobicContact CD-CE2 4.17Å; K38-Y45 VanDerWaalsContact CE-OH 3.24Å; K38-Y45 WeakPolarHBondContact CE-OH 3.16Å; K38-Y45 PolarHBondContact NZ-OH 3.24Å; K38-V64 HydrophobicContact CG-CG2 3.92Å
39T86.9Confident84.8Confident58 Ų5859.1 Ų59.136%0.35631%0.312SS..Hα-helixtrans-62.5-42178.7-55.50000112.1E35 V36 T37 S47E35-T39 PolarHBondContact O-N 3.23Å; E35-T39 PolarHBondContact O-OG1 2.97Å; V36-T39 PolarHBondContact O-N 2.9Å; T37-T39 VanDerWaalsContact C-N 3.33Å; T37-T39 PolarHBondContact O-N 3.19Å; T39-S47 WeakPolarHBondContact OG1-CB 3.42Å
40K85.1Confident84Confident119 Ų11961 Ų6152%0.51732%0.319SS..Hα-helixtrans-66.9-40.7-178.4-177.1171.2-179.4175.80113.2V36 T37 K38V36-K40 WeakPolarHBondContact O-CB 3.18Å; V36-K40 PolarHBondContact O-N 3.45Å; T37-K40 PolarHBondContact O-N 3.46Å; K38-K40 PolarHBondContact O-N 2.86Å
41F85.5Confident83Confident89 Ų8965.2 Ų65.239%0.3935%0.35SS..Hα-helixtrans-100.4-9.2-172.7-71.2-74.8000114.1T37 V64 V66T37-F41 HydrophobicContact CG2-CD2 3.87Å; T37-F41 HydrophobicContact CG2-CE2 4.11Å; T37-F41 WeakPolarHBondContact O-CD2 3.3Å; T37-F41 PolarHBondContact O-N 2.85Å; T37-F41 VanDerWaalsContact O-N 3.15Å; F41-V64 HydrophobicContact CB-CG1 3.19Å; F41-V64 HydrophobicContact CD2-CG1 4.02Å; F41-V64 HydrophobicContact CG-CG1 3.75Å; F41-V66 HydrophobicContact CD1-CG1 4.46Å; F41-V66 HydrophobicContact CD1-CG2 3.85Å; F41-V66 HydrophobicContact CE1-CG1 4.17Å; F41-V66 HydrophobicContact CE1-CG2 4.05Å; F41-V66 HydrophobicContact CG-CG2 4.14Å
42T82.5Confident82.2Confident50 Ų5071.6 Ų71.631%0.30738%0.376SS..  trans-11996.4177.6-50.80000109.3K38 K44 Y45K38-T42 WeakPolarHBondContact O-CB 3.31Å; K38-T42 PolarHBondContact O-N 2.89Å; K38-T42 PolarHBondContact O-OG1 2.74Å; T42-K44 PolarHBondContact O-N 3.22Å; T42-Y45 WeakPolarHBondContact O-CB 3.3Å; T42-Y45 PolarHBondContact O-N 2.77Å
43S72.1Confident81.6Confident128 Ų12873 Ų7390%0.89538%0.382SS*.THydrogen-bonded Turntrans-56.6-16.4-172.3-45.70000115.5
44K73Confident81.1Confident202 Ų20278.2 Ų78.288%0.87841%0.414SS*.THydrogen-bonded Turntrans-110.72.3178.3-63.9-174.6-179.9-179.80113.9T42 K46T42-K44 PolarHBondContact O-N 3.22Å; K44-K46 PolarHBondContact O-N 3.22Å
45Y79.1Confident80.5Confident74 Ų7481.9 Ų81.929%0.2944%0.437SS..  trans-73.6119.7-179.4-175.5-103.1000109.9E35 K38 T42 S47E35-Y45 WeakPolarHBondContact OE2-CE1 3.17Å; E35-Y45 PolarHBondContact OE2-OH 2.94Å; K38-Y45 HydrophobicContact CB-CD1 3.72Å; K38-Y45 HydrophobicContact CB-CD2 4.49Å; K38-Y45 HydrophobicContact CB-CE1 3.65Å; K38-Y45 HydrophobicContact CB-CE2 4.45Å; K38-Y45 HydrophobicContact CB-CG 4.15Å; K38-Y45 HydrophobicContact CD-CE1 4.34Å; K38-Y45 HydrophobicContact CD-CE2 4.17Å; K38-Y45 VanDerWaalsContact CE-OH 3.24Å; K38-Y45 WeakPolarHBondContact CE-OH 3.16Å; K38-Y45 PolarHBondContact NZ-OH 3.24Å; T42-Y45 WeakPolarHBondContact O-CB 3.3Å; T42-Y45 PolarHBondContact O-N 2.77Å; Y45-S47 PolarHBondContact O-N 2.96Å
46K72.8Confident79.9Confident189 Ų18982.4 Ų82.482%0.82244%0.441SS*.  trans-83.2109.1169.8-67.2-174.5179.4-177.40107.2K44 A48K44-K46 PolarHBondContact O-N 3.22Å; K46-A48 PolarHBondContact O-N 3.41Å
47S71.6Confident79.5Confident50 Ų5087.1 Ų87.135%0.3547%0.469SS..  trans-54137.8173.7-172.20000109.8T39 Y45T39-S47 WeakPolarHBondContact OG1-CB 3.42Å; Y45-S47 PolarHBondContact O-N 2.96Å
48A73.2Confident79.1Confident51 Ų5187.1 Ų87.142%0.42147%0.474SS..  trans-58.5154.6159.800000109.3K46 L50K46-A48 PolarHBondContact O-N 3.41Å; A48-L50 PolarHBondContact O-N 3.39Å
49D75.3Confident79Confident82 Ų8288.9 Ų88.944%0.43948%0.484SS..  trans-61.2109.6172.2-176.7-9.2000109.2S51 K52D49-S51 PolarHBondContact O-N 2.72Å; D49-S51 VanDerWaalsContact O-N 3.14Å; D49-S51 WeakPolarHBondContact OD1-CB 3.33Å; D49-S51 PolarHBondContact OD1-N 2.64Å; D49-S51 VanDerWaalsContact OD1-N 3.08Å; D49-S51 PolarHBondContact OD1-OG 2.92Å; D49-S51 PolarHBondContact OD2-OG 2.92Å; D49-K52 HydrophobicContact CB-CB 4.47Å; D49-K52 HydrophobicContact CB-CD 4.04Å; D49-K52 HydrophobicContact CB-CG 4.08Å; D49-K52 PolarHBondContact O-N 3.31Å; D49-K52 VanDerWaalsContact OD2-CE 3.24Å; D49-K52 WeakPolarHBondContact OD2-CE 3.35Å; D49-K52 IonicContact OD2-NZ 3.34Å
50L78.8Confident79.1Confident52 Ų5288.3 Ų88.327%0.27248%0.479SS..G310 helixtrans-60.7-25-175.7-60.2-179.4000111.9T32 E35 V36 A48 K52 I53 L171T32-L50 HydrophobicContact CG2-CD2 4.35Å; E35-L50 HydrophobicContact CB-CD2 3.83Å; E35-L50 HydrophobicContact CG-CD2 4.42Å; V36-L50 HydrophobicContact CG2-CD1 4.25Å; A48-L50 PolarHBondContact O-N 3.39Å; L50-K52 PolarHBondContact O-N 3.23Å; L50-I53 HydrophobicContact CB-CD1 4.49Å; L50-I53 HydrophobicContact CD2-CD1 3.77Å; L50-I53 PolarHBondContact O-N 3.44Å; L50-L171 HydrophobicContact CB-CD2 4.41Å; L50-L171 HydrophobicContact CD1-CD2 4.05Å
51S74Confident79.5Confident101 Ų10187 Ų8771%0.70648%0.476SS*.G310 helixtrans-71-16.2177.571.90000113.6D49D49-S51 PolarHBondContact O-N 2.72Å; D49-S51 VanDerWaalsContact O-N 3.14Å; D49-S51 WeakPolarHBondContact OD1-CB 3.33Å; D49-S51 PolarHBondContact OD1-N 2.64Å; D49-S51 VanDerWaalsContact OD1-N 3.08Å; D49-S51 PolarHBondContact OD1-OG 2.92Å; D49-S51 PolarHBondContact OD2-OG 2.92Å
52K76.9Confident79.8Confident156 Ų15682.8 Ų82.868%0.67846%0.458SS*.G310 helixtrans-98.60.7-179.4-61.2-175.7-177.1172.70113.7D49 L50 T54D49-K52 HydrophobicContact CB-CB 4.47Å; D49-K52 HydrophobicContact CB-CD 4.04Å; D49-K52 HydrophobicContact CB-CG 4.08Å; D49-K52 PolarHBondContact O-N 3.31Å; D49-K52 VanDerWaalsContact OD2-CE 3.24Å; D49-K52 WeakPolarHBondContact OD2-CE 3.35Å; D49-K52 IonicContact OD2-NZ 3.34Å; L50-K52 PolarHBondContact O-N 3.23Å; K52-T54 PolarHBondContact O-N 3.44Å; K52-T54 VanDerWaalsContact O-N 3.17Å
53I80.9Confident80.2Confident49 Ų4986.3 Ų86.325%0.25147%0.469SS..  trans-68.7113.8178.2-65.1177000108.7T31 E35 L50T31-I53 HydrophobicContact CG2-CD1 4.4Å; T31-I53 HydrophobicContact CG2-CG2 3.71Å; E35-I53 HydrophobicContact CG-CD1 3.94Å; L50-I53 HydrophobicContact CB-CD1 4.49Å; L50-I53 HydrophobicContact CD2-CD1 3.77Å; L50-I53 PolarHBondContact O-N 3.44Å
54T83.1Confident81.1Confident115 Ų11580.3 Ų80.371%0.70643%0.427SS*.  trans-100.6-179.7173.1590000110.8K52 T56K52-T54 PolarHBondContact O-N 3.44Å; K52-T54 VanDerWaalsContact O-N 3.17Å; T54-T56 PolarHBondContact O-N 2.55Å
55T78.5Confident81.9Confident77 Ų7773.4 Ų73.447%0.47240%0.402SS..  trans-60.8130.8175.549.50000111.6D26 V57D26-T55 HydrophobicContact CB-CG2 4.36Å; T55-V57 PolarHBondContact O-N 2.85Å
56T80.3Confident82.2Confident25 Ų2571.9 Ų71.915%0.15340%0.4CS..  trans-71.7124178-54.30000110.6T31 T54 N60 G77 L82T31-T56 PolarHBondContact OG1-OG1 3.32Å; T54-T56 PolarHBondContact O-N 2.55Å; T56-N60 HydrophobicContact CG2-CB 4.06Å; T56-G77 VanDerWaalsContact O-CA 3.26Å; T56-G77 WeakPolarHBondContact O-CA 3.34Å; T56-L82 WeakPolarHBondContact O-CD1 3.35Å
57V79.4Confident82.8Confident122 Ų12269 Ų6974%0.73940%0.403SS*.  trans-93.9109.6170-177.30000107.8T55T55-V57 PolarHBondContact O-N 2.85Å
58G81.4Confident83.4Confident22 Ų2268.6 Ų68.623%0.22741%0.408CS..SBendtrans83.5-120.6179.700000113.4G77G58-G77 PolarHBondContact O-N 3.43Å
59L88Confident84.2Confident56 Ų5668.2 Ų68.229%0.29340%0.4SS..EExtended strand (participates in β ladder)trans-123.5128.6-171.5170.368.7000111.1I61 W74 L76 Y89L59-I61 HydrophobicContact CD1-CG1 4.27Å; L59-I61 HydrophobicContact CD2-CD1 3.94Å; L59-I61 HydrophobicContact CD2-CG1 3.87Å; L59-I61 HydrophobicContact CG-CD1 4.48Å; L59-I61 HydrophobicContact CG-CG1 3.89Å; L59-W74 HydrophobicContact CD1-CB 3.54Å; L59-W74 HydrophobicContact CD1-CG 3.88Å; L59-L76 HydrophobicContact CB-CD2 3.9Å; L59-L76 HydrophobicContact CD1-CD2 3.5Å; L59-L76 VanDerWaalsContact CD1-CD2 3.5Å; L59-L76 HydrophobicContact CD1-CG 4.47Å; L59-L76 HydrophobicContact CG-CD2 4.28Å; L59-Y89 HydrophobicContact CD2-CE1 3.69Å
60N90.5Very high85Confident46 Ų4665.8 Ų65.825%0.24639%0.386CS..EExtended strand (participates in β ladder)trans-109.3134.9165.5175.334.4000109.5T56 D75T56-N60 HydrophobicContact CG2-CB 4.06Å; N60-D75 HydrophobicContact CB-CB 4.08Å; N60-D75 PolarHBondContact N-O 2.87Å; N60-D75 PolarHBondContact ND2-OD2 2.78Å; N60-D75 PolarHBondContact O-N 2.87Å
61I91.7Very high85.7Confident90 Ų9065.4 Ų65.446%0.46238%0.384SS..EExtended strand (participates in β ladder)trans-111.7126.2-176.8-55.9178000109.5L59 F73L59-I61 HydrophobicContact CD1-CG1 4.27Å; L59-I61 HydrophobicContact CD2-CD1 3.94Å; L59-I61 HydrophobicContact CD2-CG1 3.87Å; L59-I61 HydrophobicContact CG-CD1 4.48Å; L59-I61 HydrophobicContact CG-CG1 3.89Å; I61-F73 WeakPolarHBondContact CA-O 3.38Å
62G91.9Very high86.7Confident1 Ų160.7 Ų60.71%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-120.7142.3171.300000111.3N72 F73G62-N72 CarbonylContact O-C 3.52Å; G62-F73 PolarHBondContact N-O 2.95Å; G62-F73 PolarHBondContact O-N 3.49Å
63K92.1Very high87.7Confident124 Ų12454.3 Ų54.354%0.53932%0.323SS..EExtended strand (participates in β ladder)trans-121.8134.1177.5-61.7-169.7176.3-163.20109.9L71 N72K63-L71 WeakPolarHBondContact CA-O 3.38Å; K63-N72 WeakPolarHBondContact CD-OD1 3.24Å; K63-N72 VanDerWaalsContact CE-OD1 3.24Å; K63-N72 WeakPolarHBondContact CE-OD1 3.32Å; K63-N72 WeakPolarHBondContact CG-OD1 3.03Å
64V91.2Very high88.4Confident2 Ų252.9 Ų52.91%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-137.3135.9178.2178.20000108.7T37 K38 F41 V66 L71 F73T37-V64 HydrophobicContact CG2-CG2 4.33Å; K38-V64 HydrophobicContact CG-CG2 3.92Å; F41-V64 HydrophobicContact CB-CG1 3.19Å; F41-V64 HydrophobicContact CD2-CG1 4.02Å; F41-V64 HydrophobicContact CG-CG1 3.75Å; V64-V66 HydrophobicContact CG1-CG2 3.8Å; V64-L71 PolarHBondContact N-O 2.99Å; V64-L71 PolarHBondContact O-N 3.41Å; V64-F73 HydrophobicContact CB-CE2 4.15Å; V64-F73 HydrophobicContact CG2-CD2 4.35Å; V64-F73 HydrophobicContact CG2-CE2 4.09Å
65V88.9Confident88.9Confident57 Ų5747.4 Ų47.435%0.34528%0.281SS..EExtended strand (participates in β ladder)trans-104.3118.5173.21800000108.4V69 Q70V65-V69 CarbonylContact C-O 3.6Å; V65-V69 VanDerWaalsContact CA-O 3.29Å; V65-V69 WeakPolarHBondContact CA-O 3.39Å; V65-Q70 HydrophobicContact CG2-CB 4.48Å
66V86Confident89.6Confident43 Ų4343.9 Ų43.926%0.26126%0.259SS..EExtended strand (participates in β ladder)trans-118119.9176.8-173.50000108.1F41 V64 G68 V69 L71F41-V66 HydrophobicContact CD1-CG1 4.46Å; F41-V66 HydrophobicContact CD1-CG2 3.85Å; F41-V66 HydrophobicContact CE1-CG1 4.17Å; F41-V66 HydrophobicContact CE1-CG2 4.05Å; F41-V66 HydrophobicContact CG-CG2 4.14Å; V64-V66 HydrophobicContact CG1-CG2 3.8Å; V66-G68 PolarHBondContact O-N 2.63Å; V66-V69 PolarHBondContact N-O 2.63Å; V66-V69 PolarHBondContact O-N 3.34Å; V66-L71 HydrophobicContact CG2-CD1 4.31Å
67S85.7Confident90.1Very high127 Ų12742.8 Ų42.889%0.88825%0.253SS*.THydrogen-bonded Turntrans50.536.3175.9-55.80000114.7
68G84.3Confident90.6Very high43 Ų4337.2 Ų37.244%0.44322%0.22SC..THydrogen-bonded Turntrans91.5-15.9-179.900000115.3K15 V66K15-G68 WeakPolarHBondContact CB-O 3.35Å; K15-G68 WeakPolarHBondContact CD-O 3.45Å; K15-G68 WeakPolarHBondContact CG-O 3.33Å; V66-G68 PolarHBondContact O-N 2.63Å
69V88.5Confident91Very high42 Ų4239.3 Ų39.326%0.25522%0.224SC..EExtended strand (participates in β ladder)trans-90.5137.9177.1177.60000110.2D16 Y18 V65 V66 L71D16-V69 HydrophobicContact CB-CG1 4.46Å; D16-V69 WeakPolarHBondContact O-CG1 3.23Å; Y18-V69 HydrophobicContact CD2-CG1 3.46Å; Y18-V69 VanDerWaalsContact CD2-CG1 3.46Å; Y18-V69 HydrophobicContact CE2-CG1 3.67Å; V65-V69 CarbonylContact C-O 3.6Å; V65-V69 VanDerWaalsContact CA-O 3.29Å; V65-V69 WeakPolarHBondContact CA-O 3.39Å; V66-V69 PolarHBondContact N-O 2.63Å; V66-V69 PolarHBondContact O-N 3.34Å; V69-L71 HydrophobicContact CG1-CD2 4.25Å
70Q91.9Very high90.9Very high31 Ų3141.2 Ų41.215%0.14523%0.234CC..EExtended strand (participates in β ladder)trans-95.9122175.4-177.8173.5-65.800110.6D16 E17 Y18 V65 N72D16-Q70 PolarHBondContact O-N 2.93Å; E17-Q70 CarbonylContact C-O 3.52Å; E17-Q70 WeakPolarHBondContact CA-O 3.38Å; E17-Q70 HydrophobicContact CG-CB 4.21Å; E17-Q70 PolarHBondContact OE1-NE2 2.95Å; E17-Q70 PolarHBondContact OE2-NE2 2.95Å; E17-Q70 VanDerWaalsContact OE2-NE2 3.1Å; Y18-Q70 PolarHBondContact N-O 3.12Å; V65-Q70 HydrophobicContact CG2-CB 4.48Å; Q70-N72 PolarHBondContact NE2-OD1 3.33Å; Q70-N72 VanDerWaalsContact NE2-OD1 3.12Å
71L94.8Very high90.6Very high44 Ų4442.6 Ų42.623%0.2325%0.252CS..EExtended strand (participates in β ladder)trans-100.2119.2169.9-56.7-178.1000109Y18 K63 V64 V66 V69 F73Y18-L71 HydrophobicContact CD2-CD2 4.42Å; K63-L71 WeakPolarHBondContact CA-O 3.38Å; V64-L71 PolarHBondContact N-O 2.99Å; V64-L71 PolarHBondContact O-N 3.41Å; V66-L71 HydrophobicContact CG2-CD1 4.31Å; V69-L71 HydrophobicContact CG1-CD2 4.25Å; L71-F73 HydrophobicContact CB-CD2 4.38Å; L71-F73 HydrophobicContact CB-CE2 3.74Å; L71-F73 HydrophobicContact CB-CZ 4.12Å; L71-F73 HydrophobicContact CD1-CE2 4.38Å; L71-F73 HydrophobicContact CD1-CZ 4.09Å
72N95Very high90.4Very high3 Ų339.5 Ų39.52%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-98.4105.2173.3-63.8-66.1000108.1E17 Y18 F19 V20 G62 K63 Q70E17-N72 PolarHBondContact OE2-ND2 2.93Å; Y18-N72 PolarHBondContact O-N 3.33Å; F19-N72 CarbonylContact C-O 3.59Å; F19-N72 WeakPolarHBondContact CA-O 3.26Å; F19-N72 HydrophobicContact CD1-CB 3.46Å; F19-N72 VanDerWaalsContact CD1-CB 3.46Å; F19-N72 HydrophobicContact CE1-CB 3.64Å; F19-N72 HydrophobicContact CG-CB 4.34Å; V20-N72 PolarHBondContact N-O 3.41Å; G62-N72 CarbonylContact O-C 3.52Å; K63-N72 WeakPolarHBondContact CD-OD1 3.24Å; K63-N72 VanDerWaalsContact CE-OD1 3.24Å; K63-N72 WeakPolarHBondContact CE-OD1 3.32Å; K63-N72 WeakPolarHBondContact CG-OD1 3.03Å; Q70-N72 PolarHBondContact NE2-OD1 3.33Å; Q70-N72 VanDerWaalsContact NE2-OD1 3.12Å
73F96.8Very high90.3Very high21 Ų2140.5 Ų40.59%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-87.9133.1176.7-66.9-84.1000111.2V20 I22 L34 T37 I61 G62 V64 L71V20-F73 HydrophobicContact CB-CD1 3.74Å; V20-F73 HydrophobicContact CB-CE1 3.84Å; V20-F73 HydrophobicContact CG1-CD1 3.85Å; V20-F73 HydrophobicContact CG1-CE1 3.76Å; V20-F73 HydrophobicContact CG2-CE1 4.34Å; V20-F73 CarbonylContact O-C 3.56Å; V20-F73 VanDerWaalsContact O-CA 3.3Å; V20-F73 WeakPolarHBondContact O-CA 3.32Å; I22-F73 HydrophobicContact CD1-CB 4.03Å; I22-F73 HydrophobicContact CD1-CD1 3.79Å; I22-F73 HydrophobicContact CD1-CG 4.2Å; I22-F73 HydrophobicContact CG1-CB 4.48Å; I22-F73 HydrophobicContact CG1-CD1 3.97Å; L34-F73 HydrophobicContact CD1-CB 3.47Å; L34-F73 VanDerWaalsContact CD1-CB 3.47Å; L34-F73 HydrophobicContact CD1-CD2 3.86Å; L34-F73 HydrophobicContact CD1-CG 3.71Å; L34-F73 HydrophobicContact CD2-CB 4.28Å; T37-F73 HydrophobicContact CG2-CE2 4.32Å; T37-F73 HydrophobicContact CG2-CZ 4.39Å; I61-F73 WeakPolarHBondContact CA-O 3.38Å; G62-F73 PolarHBondContact N-O 2.95Å; G62-F73 PolarHBondContact O-N 3.49Å; V64-F73 HydrophobicContact CB-CE2 4.15Å; V64-F73 HydrophobicContact CG2-CD2 4.35Å; V64-F73 HydrophobicContact CG2-CE2 4.09Å; L71-F73 HydrophobicContact CB-CD2 4.38Å; L71-F73 HydrophobicContact CB-CE2 3.74Å; L71-F73 HydrophobicContact CB-CZ 4.12Å; L71-F73 HydrophobicContact CD1-CE2 4.38Å; L71-F73 HydrophobicContact CD1-CZ 4.09Å
74W95.7Very high90.1Very high20 Ų2038 Ų388%0.07624%0.239CC..EExtended strand (participates in β ladder)trans-113.899.6173.5-69-18.1000109.4F19 V20 L21 I22 L59 Y89 E92F19-W74 HydrophobicContact CB-CE3 4.45Å; F19-W74 HydrophobicContact CB-CH2 4.03Å; F19-W74 HydrophobicContact CB-CZ2 4.31Å; F19-W74 HydrophobicContact CB-CZ3 4.11Å; F19-W74 HydrophobicContact CD1-CD2 4.32Å; F19-W74 AromaticContact CD1-CE2 3.49Å; F19-W74 VanDerWaalsContact CD1-CE2 3.49Å; F19-W74 AromaticContact CD1-CH2 3.59Å; F19-W74 HydrophobicContact CD1-CH2 3.59Å; F19-W74 AromaticContact CD1-CZ2 3.1Å; F19-W74 HydrophobicContact CD1-CZ2 3.1Å; F19-W74 HydrophobicContact CD1-CZ3 4.38Å; F19-W74 AromaticContact CD1-NE1 3.93Å; F19-W74 HydrophobicContact CE1-CH2 4.19Å; F19-W74 AromaticContact CE1-CZ2 3.47Å; F19-W74 HydrophobicContact CE1-CZ2 3.47Å; F19-W74 VanDerWaalsContact CE1-CZ2 3.47Å; F19-W74 AromaticContact CG-CH2 3.8Å; F19-W74 HydrophobicContact CG-CH2 3.8Å; F19-W74 AromaticContact CG-CZ2 3.82Å; F19-W74 HydrophobicContact CG-CZ2 3.82Å; F19-W74 HydrophobicContact CG-CZ3 4.39Å; F19-W74 HydrophobicContact CZ-CZ2 4.44Å; V20-W74 PolarHBondContact O-N 2.94Å; L21-W74 HydrophobicContact CD2-CB 3.98Å; L21-W74 HydrophobicContact CD2-CE3 3.71Å; I22-W74 PolarHBondContact N-O 3.27Å; L59-W74 HydrophobicContact CD1-CB 3.54Å; L59-W74 HydrophobicContact CD1-CG 3.88Å; W74-Y89 HydrophobicContact CD2-CD1 4.34Å; W74-Y89 AromaticContact CE3-CD1 3.94Å; W74-Y89 HydrophobicContact CE3-CD1 3.94Å; W74-Y89 HydrophobicContact CE3-CG 4.34Å; W74-Y89 HydrophobicContact CZ3-CD1 4.17Å; W74-E92 HydrophobicContact CH2-CB 3.57Å; W74-E92 HydrophobicContact CH2-CG 4.43Å; W74-E92 VanDerWaalsContact CH2-OE2 3.23Å; W74-E92 WeakPolarHBondContact CH2-OE2 3.42Å; W74-E92 HydrophobicContact CZ3-CB 3.73Å
75D94.6Very high90.1Very high0 Ų040.2 Ų40.20%025%0.25CS..EExtended strand (participates in β ladder)trans-87.6112177.2169.238.6000109.7I22 K30 T31 L34 N60I22-D75 HydrophobicContact CB-CB 4.44Å; K30-D75 VanDerWaalsContact CB-OD1 3.24Å; K30-D75 WeakPolarHBondContact CB-OD1 3.33Å; T31-D75 WeakPolarHBondContact CA-OD2 3.42Å; T31-D75 WeakPolarHBondContact CB-OD2 3.26Å; T31-D75 PolarHBondContact OG1-OD2 3.3Å; L34-D75 HydrophobicContact CD2-CB 3.72Å; N60-D75 HydrophobicContact CB-CB 4.08Å; N60-D75 PolarHBondContact N-O 2.87Å; N60-D75 PolarHBondContact ND2-OD2 2.78Å; N60-D75 PolarHBondContact O-N 2.87Å
76L93.8Very high90.3Very high3 Ų337.8 Ų37.82%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-102.3146.4-175.5-63-177.7000112L21 I22 L23 K30 L59 G78 W86 Y89L21-L76 HydrophobicContact CD2-CD1 4.25Å; I22-L76 PolarHBondContact O-N 3.01Å; L23-L76 HydrophobicContact CD2-CB 4.14Å; L23-L76 HydrophobicContact CD2-CD1 3.73Å; L23-L76 HydrophobicContact CD2-CG 4.24Å; K30-L76 WeakPolarHBondContact CE-O 3.4Å; L59-L76 HydrophobicContact CB-CD2 3.9Å; L59-L76 HydrophobicContact CD1-CD2 3.5Å; L59-L76 VanDerWaalsContact CD1-CD2 3.5Å; L59-L76 HydrophobicContact CD1-CG 4.47Å; L59-L76 HydrophobicContact CG-CD2 4.28Å; L76-G78 PolarHBondContact O-N 3.19Å; L76-W86 HydrophobicContact CD1-CB 4.38Å; L76-W86 HydrophobicContact CD1-CG 4.28Å; L76-Y89 HydrophobicContact CD1-CD2 3.59Å; L76-Y89 HydrophobicContact CD1-CE2 4.15Å; L76-Y89 HydrophobicContact CD1-CG 4.25Å; L76-Y89 HydrophobicContact CD2-CD2 3.86Å; L76-Y89 HydrophobicContact CD2-CE2 3.64Å; L76-Y89 HydrophobicContact CG-CD2 4.4Å
77G90.4Very high90.6Very high2 Ų240.4 Ų40.42%0.02125%0.248CC..  trans-55133.3172.300000112.2T56 G58 W86T56-G77 VanDerWaalsContact O-CA 3.26Å; T56-G77 WeakPolarHBondContact O-CA 3.34Å; G58-G77 PolarHBondContact O-N 3.43Å; G77-W86 PolarHBondContact O-NE1 3.37Å
78G89.8Confident91Very high4 Ų441.1 Ų41.14%0.04123%0.234CC..  trans-101.7-8.4-173.400000115.8G24 D26 L76 Q83G24-G78 VanDerWaalsContact O-CA 3.22Å; G24-G78 WeakPolarHBondContact O-CA 3.47Å; D26-G78 VanDerWaalsContact N-C 3.31Å; D26-G78 PolarHBondContact N-O 3.13Å; L76-G78 PolarHBondContact O-N 3.19Å; G78-Q83 PolarHBondContact O-NE2 3.41Å
79Q88.9Confident91.4Very high66 Ų6642 Ų4231%0.30823%0.225SC..SBendtrans-63.814417768.5-167.233.700109.7D26 A81 L82 Q83D26-Q79 HydrophobicContact CB-CB 4.27Å; D26-Q79 WeakPolarHBondContact OD1-CA 2.91Å; Q79-A81 PolarHBondContact O-N 3.15Å; Q79-L82 HydrophobicContact CG-CB 3.87Å; Q79-L82 HydrophobicContact CG-CD1 3.65Å; Q79-L82 HydrophobicContact CG-CG 3.53Å; Q79-L82 WeakPolarHBondContact O-CA 3.24Å; Q79-L82 PolarHBondContact O-N 2.84Å; Q79-Q83 PolarHBondContact O-N 2.92Å
80N86.7Confident91.8Very high96 Ų9640.5 Ų40.551%0.51322%0.215SC..Hα-helixtrans-49-39.8-173.7-72.6-30.6000114.2L82 Q83 E110N80-L82 VanDerWaalsContact C-N 3.27Å; N80-L82 PolarHBondContact O-N 2.88Å; N80-Q83 PolarHBondContact O-N 3.31Å; N80-Q83 PolarHBondContact OD1-NE2 2.93Å; N80-Q83 VanDerWaalsContact OD1-NE2 3.1Å; N80-E110 VanDerWaalsContact CG-OE1 3.31Å; N80-E110 PolarHBondContact ND2-OE1 3.32Å; N80-E110 PolarHBondContact OD1-OE1 2.75Å; N80-E110 VanDerWaalsContact OD1-OE1 3.1Å
81A84.7Confident91.9Very high75 Ų7543.2 Ų43.262%0.6224%0.243SC*.Hα-helixtrans-60.9-32.7176.800000113.8Q79 S84Q79-A81 PolarHBondContact O-N 3.15Å; A81-S84 PolarHBondContact O-OG 3.23Å
82L86.9Confident91.8Very high25 Ų2546.7 Ų46.713%0.13126%0.258CS..Hα-helixtrans-92.3-15.9-178.3-62.9179.9000113.8T56 Q79 N80 S84 L85T56-L82 WeakPolarHBondContact O-CD1 3.35Å; Q79-L82 HydrophobicContact CG-CB 3.87Å; Q79-L82 HydrophobicContact CG-CD1 3.65Å; Q79-L82 HydrophobicContact CG-CG 3.53Å; Q79-L82 WeakPolarHBondContact O-CA 3.24Å; Q79-L82 PolarHBondContact O-N 2.84Å; N80-L82 VanDerWaalsContact C-N 3.27Å; N80-L82 PolarHBondContact O-N 2.88Å; L82-S84 PolarHBondContact O-N 3.39Å; L82-S84 VanDerWaalsContact O-N 3.13Å; L82-L85 HydrophobicContact CD2-CD1 3.88Å; L82-L85 VanDerWaalsContact O-CB 3.31Å; L82-L85 WeakPolarHBondContact O-CB 3.41Å; L82-L85 PolarHBondContact O-N 2.98Å
83Q90.2Very high91.8Very high23 Ų2347 Ų4711%0.10726%0.26CS..Hα-helixtrans-61.6-22.2176.5-62.1-175.412.100112.6L25 G78 Q79 N80 L85 W86L25-Q83 VanDerWaalsContact CD2-NE2 3.26Å; G78-Q83 PolarHBondContact O-NE2 3.41Å; Q79-Q83 PolarHBondContact O-N 2.92Å; N80-Q83 PolarHBondContact O-N 3.31Å; N80-Q83 PolarHBondContact OD1-NE2 2.93Å; N80-Q83 VanDerWaalsContact OD1-NE2 3.1Å; Q83-L85 PolarHBondContact O-N 2.83Å; Q83-W86 HydrophobicContact CB-CD2 4.07Å; Q83-W86 HydrophobicContact CB-CE3 4.2Å; Q83-W86 HydrophobicContact CB-CH2 4.47Å; Q83-W86 HydrophobicContact CB-CZ2 4.31Å; Q83-W86 HydrophobicContact CB-CZ3 4.41Å; Q83-W86 HydrophobicContact CG-CD2 4.29Å; Q83-W86 HydrophobicContact CG-CE3 4.4Å; Q83-W86 HydrophobicContact CG-CH2 3.81Å; Q83-W86 HydrophobicContact CG-CZ2 3.61Å; Q83-W86 HydrophobicContact CG-CZ3 4.2Å; Q83-W86 WeakPolarHBondContact O-CB 3.49Å; Q83-W86 PolarHBondContact O-N 2.97Å
84S88.5Confident91.8Very high70 Ų7050.2 Ų50.249%0.4928%0.276SS..THydrogen-bonded Turntrans-63.6-11.8170.5650000114.4A81 L82A81-S84 PolarHBondContact O-OG 3.23Å; L82-S84 PolarHBondContact O-N 3.39Å; L82-S84 VanDerWaalsContact O-N 3.13Å
85L89.1Confident91.8Very high49 Ų4949.7 Ų49.726%0.25728%0.276SS..THydrogen-bonded Turntrans-95.9-9.5177.6-60.3175.4000113L82 Q83 D87 K88 Y89L82-L85 HydrophobicContact CD2-CD1 3.88Å; L82-L85 VanDerWaalsContact O-CB 3.31Å; L82-L85 WeakPolarHBondContact O-CB 3.41Å; L82-L85 PolarHBondContact O-N 2.98Å; Q83-L85 PolarHBondContact O-N 2.83Å; L85-D87 VanDerWaalsContact C-N 3.32Å; L85-D87 PolarHBondContact O-N 2.81Å; L85-K88 HydrophobicContact CD2-CD 4.08Å; L85-K88 WeakPolarHBondContact O-CB 3.38Å; L85-K88 PolarHBondContact O-N 2.97Å; L85-Y89 WeakPolarHBondContact O-CD2 3.24Å; L85-Y89 WeakPolarHBondContact O-CE2 3.32Å
86W94.3Very high92Very high7 Ų749.8 Ų49.83%0.02728%0.277CS..SBendtrans-62.7-41-175.2-67.8-4.7000112L23 L76 G77 Q83 K88 Y89 F90 F98 A114 L118L23-W86 HydrophobicContact CD2-CB 4.4Å; L23-W86 HydrophobicContact CD2-CD2 4.01Å; L23-W86 HydrophobicContact CD2-CG 3.93Å; L76-W86 HydrophobicContact CD1-CB 4.38Å; L76-W86 HydrophobicContact CD1-CG 4.28Å; G77-W86 PolarHBondContact O-NE1 3.37Å; Q83-W86 HydrophobicContact CB-CD2 4.07Å; Q83-W86 HydrophobicContact CB-CE3 4.2Å; Q83-W86 HydrophobicContact CB-CH2 4.47Å; Q83-W86 HydrophobicContact CB-CZ2 4.31Å; Q83-W86 HydrophobicContact CB-CZ3 4.41Å; Q83-W86 HydrophobicContact CG-CD2 4.29Å; Q83-W86 HydrophobicContact CG-CE3 4.4Å; Q83-W86 HydrophobicContact CG-CH2 3.81Å; Q83-W86 HydrophobicContact CG-CZ2 3.61Å; Q83-W86 HydrophobicContact CG-CZ3 4.2Å; Q83-W86 WeakPolarHBondContact O-CB 3.49Å; Q83-W86 PolarHBondContact O-N 2.97Å; W86-K88 PolarHBondContact O-N 2.79Å; W86-Y89 PolarHBondContact O-N 3.01Å; W86-Y89 VanDerWaalsContact O-N 3.1Å; W86-F90 VanDerWaalsContact C-CE1 3.42Å; W86-F90 HydrophobicContact CB-CE1 3.73Å; W86-F90 HydrophobicContact CB-CZ 3.68Å; W86-F90 WeakPolarHBondContact O-CD1 3.37Å; W86-F90 WeakPolarHBondContact O-CE1 3.39Å; W86-F98 HydrophobicContact CH2-CE2 4.43Å; W86-A114 HydrophobicContact CH2-CB 4.12Å; W86-A114 HydrophobicContact CZ3-CB 4.09Å; W86-L118 HydrophobicContact CD2-CD2 4.46Å; W86-L118 HydrophobicContact CE3-CD2 3.48Å; W86-L118 VanDerWaalsContact CE3-CD2 3.48Å; W86-L118 HydrophobicContact CE3-CG 4.33Å; W86-L118 HydrophobicContact CZ3-CD1 4.38Å; W86-L118 HydrophobicContact CZ3-CD2 3.9Å; W86-L118 HydrophobicContact CZ3-CG 4.26Å
87D92.9Very high92.2Very high98 Ų9850.6 Ų50.652%0.52428%0.282SS..G310 helixtrans-60.2-30.4-177.162.2-5.8000114.4L85 Y89 F90L85-D87 VanDerWaalsContact C-N 3.32Å; L85-D87 PolarHBondContact O-N 2.81Å; D87-Y89 PolarHBondContact O-N 3.39Å; D87-Y89 VanDerWaalsContact O-N 3.07Å; D87-F90 VanDerWaalsContact CA-CD2 3.44Å; D87-F90 HydrophobicContact CB-CD2 3.96Å; D87-F90 HydrophobicContact CB-CE2 3.87Å; D87-F90 PolarHBondContact O-N 3.34Å
88K92.7Very high92.6Very high141 Ų14150.5 Ų50.561%0.61328%0.281SS*.G310 helixtrans-58.9-21.2176.5-59.8-174.2178.91800113.6L85 W86L85-K88 HydrophobicContact CD2-CD 4.08Å; L85-K88 WeakPolarHBondContact O-CB 3.38Å; L85-K88 PolarHBondContact O-N 2.97Å; W86-K88 PolarHBondContact O-N 2.79Å
89Y93.9Very high93Very high61 Ų6150.3 Ų50.324%0.23928%0.279CS..G310 helixtrans-111.6-2.5-176.7-56.4-86.6000113.5L59 W74 L76 L85 W86 D87L59-Y89 HydrophobicContact CD2-CE1 3.69Å; W74-Y89 HydrophobicContact CD2-CD1 4.34Å; W74-Y89 AromaticContact CE3-CD1 3.94Å; W74-Y89 HydrophobicContact CE3-CD1 3.94Å; W74-Y89 HydrophobicContact CE3-CG 4.34Å; W74-Y89 HydrophobicContact CZ3-CD1 4.17Å; L76-Y89 HydrophobicContact CD1-CD2 3.59Å; L76-Y89 HydrophobicContact CD1-CE2 4.15Å; L76-Y89 HydrophobicContact CD1-CG 4.25Å; L76-Y89 HydrophobicContact CD2-CD2 3.86Å; L76-Y89 HydrophobicContact CD2-CE2 3.64Å; L76-Y89 HydrophobicContact CG-CD2 4.4Å; L85-Y89 WeakPolarHBondContact O-CD2 3.24Å; L85-Y89 WeakPolarHBondContact O-CE2 3.32Å; W86-Y89 PolarHBondContact O-N 3.01Å; W86-Y89 VanDerWaalsContact O-N 3.1Å; D87-Y89 PolarHBondContact O-N 3.39Å; D87-Y89 VanDerWaalsContact O-N 3.07Å
90F95.9Very high93.4Very high11 Ų1147.2 Ų47.25%0.04826%0.264CS..G310 helixtrans-65.6-43.9-175.4-69.6-11.4000112.9L21 L23 W86 D87 E92 S93 L118 S121 A123 L124L21-F90 HydrophobicContact CD1-CD1 3.64Å; L21-F90 HydrophobicContact CD1-CE1 4.19Å; L23-F90 HydrophobicContact CD1-CE1 4.03Å; W86-F90 VanDerWaalsContact C-CE1 3.42Å; W86-F90 HydrophobicContact CB-CE1 3.73Å; W86-F90 HydrophobicContact CB-CZ 3.68Å; W86-F90 WeakPolarHBondContact O-CD1 3.37Å; W86-F90 WeakPolarHBondContact O-CE1 3.39Å; D87-F90 VanDerWaalsContact CA-CD2 3.44Å; D87-F90 HydrophobicContact CB-CD2 3.96Å; D87-F90 HydrophobicContact CB-CE2 3.87Å; D87-F90 PolarHBondContact O-N 3.34Å; F90-E92 PolarHBondContact O-N 3.1Å; F90-S93 WeakPolarHBondContact O-CB 3.42Å; F90-S93 PolarHBondContact O-N 2.72Å; F90-S93 PolarHBondContact O-OG 2.6Å; F90-L118 HydrophobicContact CE1-CD2 3.83Å; F90-L118 HydrophobicContact CE2-CD2 4.29Å; F90-L118 HydrophobicContact CZ-CD2 3.33Å; F90-S121 WeakPolarHBondContact CD2-OG 3.41Å; F90-A123 HydrophobicContact CB-CB 3.86Å; F90-L124 HydrophobicContact CB-CD1 4.46Å; F90-L124 HydrophobicContact CB-CD2 3.66Å; F90-L124 HydrophobicContact CB-CG 3.93Å; F90-L124 HydrophobicContact CD1-CD1 3.82Å; F90-L124 HydrophobicContact CD1-CD2 4.01Å; F90-L124 HydrophobicContact CD1-CG 4.2Å; F90-L124 HydrophobicContact CD2-CD1 3.82Å; F90-L124 HydrophobicContact CD2-CG 4.01Å; F90-L124 HydrophobicContact CE1-CD1 3.96Å; F90-L124 HydrophobicContact CE2-CD1 3.95Å; F90-L124 HydrophobicContact CG-CD1 3.77Å; F90-L124 HydrophobicContact CG-CD2 3.83Å; F90-L124 HydrophobicContact CG-CG 3.78Å; F90-L124 HydrophobicContact CZ-CD1 4.04Å
91A94.4Very high94Very high89 Ų8943.3 Ų43.374%0.73624%0.243SC*.G310 helixtrans-63.7-24.2-175.400000113.9
92E92.5Very high94.6Very high116 Ų11639.7 Ų39.754%0.54221%0.214SC..G310 helixtrans-96.6-2.5179.4-63.3179.4-152.500112.5F19 W74 F90F19-E92 WeakPolarHBondContact CB-O 3.35Å; W74-E92 HydrophobicContact CH2-CB 3.57Å; W74-E92 HydrophobicContact CH2-CG 4.43Å; W74-E92 VanDerWaalsContact CH2-OE2 3.23Å; W74-E92 WeakPolarHBondContact CH2-OE2 3.42Å; W74-E92 HydrophobicContact CZ3-CB 3.73Å; F90-E92 PolarHBondContact O-N 3.1Å
93S95.2Very high95.1Very high9 Ų942 Ų426%0.06323%0.225CC..  trans-82.5135-17573.50000112.7L21 F90 L124L21-S93 VanDerWaalsContact CD1-CB 3.46Å; F90-S93 WeakPolarHBondContact O-CB 3.42Å; F90-S93 PolarHBondContact O-N 2.72Å; F90-S93 PolarHBondContact O-OG 2.6Å; S93-L124 VanDerWaalsContact OG-CD2 3.32Å; S93-L124 WeakPolarHBondContact OG-CD2 3.49Å
94H96.2Very high95.5Very high90 Ų9042.4 Ų42.442%0.41723%0.227SC..SBendtrans-104.9-9.5174-53.3133.8000112.7Y18 F19 P128Y18-H94 WeakPolarHBondContact CA-ND1 3.37Å; Y18-H94 HydrophobicContact CD1-CB 3.88Å; Y18-H94 AromaticContact CD1-CG 3.9Å; Y18-H94 AromaticContact CD1-ND1 3.67Å; F19-H94 AromaticContact CD2-CE1 3.72Å; F19-H94 AromaticContact CD2-ND1 3.99Å; F19-H94 PolarHBondContact N-ND1 3.19Å; F19-H94 PolarHBondContact O-N 2.87Å; H94-P128 WeakPolarHBondContact O-CD 3.24Å
95G96.8Very high95.9Very high8 Ų843.6 Ų43.68%0.08223%0.225CC..EExtended strand (participates in β ladder)trans-165.3157.2175.300000111.4F19 V20 L21F19-G95 PolarHBondContact O-N 3.24Å; V20-G95 WeakPolarHBondContact CA-O 3.49Å; L21-G95 PolarHBondContact N-O 2.88Å
96I97.8Very high96.3Very high3 Ų345.8 Ų45.82%0.01525%0.25CS..EExtended strand (participates in β ladder)trans-125134178-67.1161.7000109.9L21 L23 L124 V127 P128 I129 V130L21-I96 HydrophobicContact CB-CG1 4.24Å; L21-I96 HydrophobicContact CD1-CG1 4.36Å; L23-I96 HydrophobicContact CD1-CG2 4.09Å; I96-L124 HydrophobicContact CD1-CB 4.41Å; I96-L124 HydrophobicContact CD1-CD1 3.61Å; I96-L124 HydrophobicContact CD1-CD2 3.59Å; I96-L124 HydrophobicContact CD1-CG 4.06Å; I96-V127 HydrophobicContact CD1-CG1 4.22Å; I96-V127 HydrophobicContact CG1-CG1 4.21Å; I96-P128 PolarHBondContact N-O 3.34Å; I96-I129 HydrophobicContact CB-CG1 4.15Å; I96-I129 HydrophobicContact CD1-CG1 4.4Å; I96-I129 CarbonylContact O-C 3.59Å; I96-I129 WeakPolarHBondContact O-CA 3.46Å; I96-V130 PolarHBondContact O-N 3.4Å
97V98Very high96.5Very high20 Ų2048 Ų4812%0.12126%0.259CS..EExtended strand (participates in β ladder)trans-108.5109.9164.11780000107.8V20 L21 I22 L23 L33 V99 V130 I132V20-V97 HydrophobicContact CG1-CG2 3.82Å; L21-V97 PolarHBondContact O-N 2.85Å; I22-V97 WeakPolarHBondContact CA-O 3.43Å; I22-V97 HydrophobicContact CG1-CB 4.42Å; I22-V97 HydrophobicContact CG2-CG1 4.48Å; L23-V97 PolarHBondContact N-O 3.22Å; L33-V97 HydrophobicContact CD2-CG1 3.87Å; V97-V99 HydrophobicContact CG1-CG2 4.11Å; V97-V130 CarbonylContact C-O 3.57Å; V97-V130 VanDerWaalsContact CA-O 3.32Å; V97-V130 WeakPolarHBondContact CA-O 3.24Å; V97-I132 HydrophobicContact CG1-CD1 3.47Å; V97-I132 VanDerWaalsContact CG1-CD1 3.47Å; V97-I132 HydrophobicContact CG1-CG1 4Å
98F98.2Very high96.7Very high0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-98.8120.6175.2-166.5-94.8000110.1L23 W86 V100 S111 A114 F115 L118 V130 I131 I132 F151L23-F98 HydrophobicContact CB-CD2 3.94Å; L23-F98 HydrophobicContact CB-CE2 4.41Å; L23-F98 WeakPolarHBondContact O-CA 3.24Å; W86-F98 HydrophobicContact CH2-CE2 4.43Å; F98-V100 HydrophobicContact CD1-CG2 3.83Å; F98-V100 HydrophobicContact CE1-CG2 3.84Å; F98-S111 WeakPolarHBondContact CZ-O 3.33Å; F98-A114 HydrophobicContact CZ-CB 4.36Å; F98-F115 HydrophobicContact CB-CD2 4.14Å; F98-F115 HydrophobicContact CB-CE2 4.35Å; F98-F115 HydrophobicContact CD1-CB 4.23Å; F98-F115 AromaticContact CD1-CD2 3.74Å; F98-F115 HydrophobicContact CD1-CD2 3.74Å; F98-F115 HydrophobicContact CD1-CG 4.33Å; F98-F115 AromaticContact CD2-CD2 3.94Å; F98-F115 HydrophobicContact CD2-CD2 3.94Å; F98-F115 HydrophobicContact CE1-CB 3.7Å; F98-F115 HydrophobicContact CE1-CD2 4.1Å; F98-F115 HydrophobicContact CE1-CG 4.27Å; F98-F115 HydrophobicContact CE2-CB 4.07Å; F98-F115 HydrophobicContact CE2-CD2 4.27Å; F98-F115 AromaticContact CG-CD2 3.66Å; F98-F115 HydrophobicContact CG-CD2 3.66Å; F98-F115 HydrophobicContact CG-CE2 4.35Å; F98-F115 HydrophobicContact CZ-CB 3.6Å; F98-F115 HydrophobicContact CZ-CD2 4.35Å; F98-F115 HydrophobicContact CZ-CG 4.47Å; F98-L118 HydrophobicContact CD2-CD1 3.38Å; F98-L118 HydrophobicContact CE2-CD1 3.52Å; F98-V130 PolarHBondContact N-O 3.15Å; F98-I131 CarbonylContact O-C 3.42Å; F98-I131 VanDerWaalsContact O-CA 3.31Å; F98-I131 WeakPolarHBondContact O-CA 3.39Å; F98-I132 PolarHBondContact O-N 2.78Å; F98-F151 HydrophobicContact CD1-CE1 4.49Å; F98-F151 HydrophobicContact CE1-CE1 4.09Å; F98-F151 HydrophobicContact CE1-CZ 4.46Å
99V98.3Very high96.9Very high0 Ų046.6 Ų46.60%024%0.244CC..EExtended strand (participates in β ladder)trans-103.5122.9-174.7-170.60000110.2I22 L23 A28 K30 L33 V97 I132 N134I22-V99 HydrophobicContact CG2-CG2 3.91Å; L23-V99 PolarHBondContact O-N 2.78Å; A28-V99 HydrophobicContact CB-CB 4.37Å; A28-V99 HydrophobicContact CB-CG1 4.11Å; A28-V99 WeakPolarHBondContact O-CG1 3.49Å; K30-V99 HydrophobicContact CG-CB 3.87Å; K30-V99 HydrophobicContact CG-CG2 3.85Å; L33-V99 HydrophobicContact CD2-CG2 3.9Å; V97-V99 HydrophobicContact CG1-CG2 4.11Å; V99-I132 WeakPolarHBondContact CA-O 3.42Å; V99-N134 HydrophobicContact CG1-CB 3.77Å
100V98.5Very high97.1Very high1 Ų145.9 Ų45.91%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-107.5131.2176.4-1780000108.9F98 S102 L108 I131 I132 N134 I147 F151F98-V100 HydrophobicContact CD1-CG2 3.83Å; F98-V100 HydrophobicContact CE1-CG2 3.84Å; V100-S102 PolarHBondContact O-N 3.27Å; V100-L108 HydrophobicContact CG1-CD1 4.08Å; V100-I131 HydrophobicContact CG2-CG2 3.9Å; V100-I132 PolarHBondContact N-O 3.35Å; V100-N134 PolarHBondContact O-N 2.81Å; V100-I147 HydrophobicContact CB-CG2 4.45Å; V100-I147 HydrophobicContact CG1-CD1 4.23Å; V100-I147 HydrophobicContact CG1-CG2 4.03Å; V100-I147 HydrophobicContact CG2-CG2 4.46Å; V100-F151 HydrophobicContact CG2-CE1 4.09Å; V100-F151 HydrophobicContact CG2-CZ 3.85Å
101D97.9Very high97.2Very high13 Ų1345.6 Ų45.67%0.0724%0.242CC..EExtended strand (participates in β ladder)trans-77109.4170.7-168.2-24.8000109.8A28 M103 D104 K135A28-D101 HydrophobicContact CB-CB 4.35Å; D101-M103 PolarHBondContact O-N 3.06Å; D101-M103 PolarHBondContact OD1-N 3.04Å; D101-D104 HydrophobicContact CB-CB 3.75Å; D101-D104 PolarHBondContact O-N 3.33Å; D101-D104 PolarHBondContact OD1-N 3.18Å; D101-K135 WeakPolarHBondContact OD1-CD 3.37Å; D101-K135 IonicContact OD1-NZ 3.91Å; D101-K135 VanDerWaalsContact OD2-CE 3.27Å; D101-K135 WeakPolarHBondContact OD2-CE 3.42Å; D101-K135 IonicContact OD2-NZ 3.87Å; D101-K135 PolarHBondContact OD2-NZ 3.42Å
102S98.3Very high97.3Very high0 Ų044.2 Ų44.20%022%0.218CC..THydrogen-bonded Turntrans-71.3-16.6179.2-56.10000113.6V100 C133 N134 Q136 C141 L142 I147V100-S102 PolarHBondContact O-N 3.27Å; S102-C133 WeakPolarHBondContact OG-CB 3.26Å; S102-N134 WeakPolarHBondContact CB-O 3.47Å; S102-N134 PolarHBondContact N-O 2.9Å; S102-N134 PolarHBondContact OG-O 2.86Å; S102-Q136 PolarHBondContact OG-NE2 3.17Å; S102-C141 CarbonylContact O-C 3.53Å; S102-C141 WeakPolarHBondContact O-CA 3.26Å; S102-L142 WeakPolarHBondContact O-CB 3.45Å; S102-L142 PolarHBondContact O-N 3.42Å; S102-I147 WeakPolarHBondContact OG-CD1 3.27Å
103M97.7Very high97.5Very high74 Ų7443.3 Ų43.337%0.36521%0.214SC..THydrogen-bonded Turntrans-91.5-15.9177.9-170.159.8-153.500112.5D101 H105 I138 C141D101-M103 PolarHBondContact O-N 3.06Å; D101-M103 PolarHBondContact OD1-N 3.04Å; M103-H105 VanDerWaalsContact C-N 3.34Å; M103-H105 PolarHBondContact O-CD2 3.41Å; M103-H105 VanDerWaalsContact O-CD2 3.23Å; M103-H105 PolarHBondContact O-N 2.86Å; M103-H105 VanDerWaalsContact O-N 3.09Å; M103-I138 HydrophobicContact CB-CD1 4.3Å; M103-I138 HydrophobicContact CG-CB 4.42Å; M103-I138 HydrophobicContact CG-CD1 4.36Å; M103-I138 HydrophobicContact CG-CG2 3.93Å; M103-I138 HydrophobicContact SD-CB 4.31Å; M103-I138 HydrophobicContact SD-CG2 3.67Å; M103-C141 HydrophobicContact SD-CB 4.36Å
104D97.8Very high97.6Very high30 Ų3043.1 Ų43.116%0.1621%0.213CC..  trans-89.370.1-177-160-22.1000112D101 A106 R107 L108D101-D104 HydrophobicContact CB-CB 3.75Å; D101-D104 PolarHBondContact O-N 3.33Å; D101-D104 PolarHBondContact OD1-N 3.18Å; D104-A106 PolarHBondContact O-N 3.37Å; D104-R107 PolarHBondContact O-N 3.35Å; D104-R107 PolarHBondContact OD1-N 2.94Å; D104-R107 VanDerWaalsContact OD1-N 3.07Å; D104-R107 IonicContact OD1-NE 3.18Å; D104-R107 IonicContact OD2-CZ 2.97Å; D104-R107 IonicContact OD2-NE 3.85Å; D104-R107 PolarHBondContact OD2-NE 3.25Å; D104-R107 IonicContact OD2-NH2 3.25Å; D104-R107 PolarHBondContact OD2-NH2 3.38Å; D104-L108 PolarHBondContact O-N 3.4Å
105H97.8Very high97.6Very high96 Ų9638.8 Ų38.844%0.44419%0.193SC..THydrogen-bonded Turntrans-53.9-37.7176.9-65.6-95.5000112.4M103 G140 L142M103-H105 VanDerWaalsContact C-N 3.34Å; M103-H105 PolarHBondContact O-CD2 3.41Å; M103-H105 VanDerWaalsContact O-CD2 3.23Å; M103-H105 PolarHBondContact O-N 2.86Å; M103-H105 VanDerWaalsContact O-N 3.09Å; H105-G140 PolarHBondContact CE1-O 2.99Å; H105-G140 PolarHBondContact NE2-O 3.49Å; H105-L142 VanDerWaalsContact CE1-CD2 3.48Å; H105-L142 WeakPolarHBondContact CE1-CD2 3.49Å; H105-L142 VanDerWaalsContact CE1-CG 3.49Å; H105-L142 WeakPolarHBondContact CE1-CG 3.38Å; H105-L142 WeakPolarHBondContact ND1-CD2 3.33Å
106A97.8Very high97.5Very high95 Ų9539.7 Ų39.779%0.78520%0.195SC*.THydrogen-bonded Turntrans-68.9-36-174.800000112.6D104D104-A106 PolarHBondContact O-N 3.37Å
107R97.6Very high97.3Very high54 Ų5445.8 Ų45.820%0.20422%0.222CC..THydrogen-bonded Turntrans-102.110.9-179.5-60.6-168.7-64.5160.76.9113.9L25 D26 D104 R109 E110 S111L25-R107 HydrophobicContact CD1-CB 3.93Å; D26-R107 PolarHBondContact O-NH2 2.83Å; D26-R107 VanDerWaalsContact O-NH2 3.15Å; D26-R107 IonicContact OD1-NH1 2.65Å; D26-R107 PolarHBondContact OD1-NH1 2.79Å; D26-R107 IonicContact OD2-CZ 2.63Å; D26-R107 IonicContact OD2-NH1 3.91Å; D26-R107 PolarHBondContact OD2-NH1 2.8Å; D26-R107 IonicContact OD2-NH2 2.72Å; D104-R107 PolarHBondContact O-N 3.35Å; D104-R107 PolarHBondContact OD1-N 2.94Å; D104-R107 VanDerWaalsContact OD1-N 3.07Å; D104-R107 IonicContact OD1-NE 3.18Å; D104-R107 IonicContact OD2-CZ 2.97Å; D104-R107 IonicContact OD2-NE 3.85Å; D104-R107 PolarHBondContact OD2-NE 3.25Å; D104-R107 IonicContact OD2-NH2 3.25Å; D104-R107 PolarHBondContact OD2-NH2 3.38Å; R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.47Å; R107-E110 HydrophobicContact CB-CB 4.34Å; R107-E110 WeakPolarHBondContact CD-OE2 3.45Å; R107-E110 WeakPolarHBondContact O-CB 3.45Å; R107-E110 PolarHBondContact O-N 3.03Å; R107-E110 VanDerWaalsContact O-N 3.11Å; R107-S111 PolarHBondContact O-N 3.28Å
108L98.1Very high97.1Very high28 Ų2845 Ų4515%0.14722%0.217CC..Hα-helixtrans-55.9-43177-177.167.4000112.1V100 D104 S111 W112 L142 I147 A150 F151V100-L108 HydrophobicContact CG1-CD1 4.08Å; D104-L108 PolarHBondContact O-N 3.4Å; L108-S111 WeakPolarHBondContact O-CB 3.03Å; L108-S111 PolarHBondContact O-N 2.86Å; L108-W112 PolarHBondContact O-N 3.43Å; L108-L142 HydrophobicContact CB-CD1 4.47Å; L108-L142 HydrophobicContact CD1-CD1 3.98Å; L108-L142 HydrophobicContact CD2-CD1 3.67Å; L108-L142 HydrophobicContact CG-CD1 4.25Å; L108-I147 HydrophobicContact CD1-CG1 4.22Å; L108-A150 HydrophobicContact CD2-CB 3.7Å; L108-A150 HydrophobicContact CG-CB 4.27Å; L108-F151 HydrophobicContact CD1-CE2 3.96Å
109R97Very high96.9Very high181 Ų18146.3 Ų46.368%0.68322%0.224SC*.Hα-helixtrans-64.3-40.1177.2-177.2176.4-179.31563.6112.5R107 S111 W112 Q113R107-R109 VanDerWaalsContact C-N 3.28Å; R107-R109 PolarHBondContact O-N 3.47Å; R109-S111 VanDerWaalsContact C-N 3.32Å; R109-W112 HydrophobicContact CG-CE3 4.36Å; R109-W112 PolarHBondContact O-N 2.99Å; R109-Q113 WeakPolarHBondContact O-CG 3.17Å; R109-Q113 PolarHBondContact O-N 3.1Å
110E97.5Very high96.6Very high46 Ų4651.4 Ų51.422%0.21525%0.251CS..Hα-helixtrans-65.2-39.2176.2-176.6-176172.500110.7L25 N80 R107 Q113 A114L25-E110 HydrophobicContact CD1-CB 4.02Å; L25-E110 HydrophobicContact CD1-CG 3.91Å; L25-E110 HydrophobicContact CD2-CG 4.05Å; N80-E110 VanDerWaalsContact CG-OE1 3.31Å; N80-E110 PolarHBondContact ND2-OE1 3.32Å; N80-E110 PolarHBondContact OD1-OE1 2.75Å; N80-E110 VanDerWaalsContact OD1-OE1 3.1Å; R107-E110 HydrophobicContact CB-CB 4.34Å; R107-E110 WeakPolarHBondContact CD-OE2 3.45Å; R107-E110 WeakPolarHBondContact O-CB 3.45Å; R107-E110 PolarHBondContact O-N 3.03Å; R107-E110 VanDerWaalsContact O-N 3.11Å; E110-Q113 PolarHBondContact O-N 2.74Å; E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 3.4Å
111S97.8Very high96.3Very high5 Ų552.4 Ų52.44%0.03526%0.258CS..Hα-helixtrans-62.6-43.8174.8-171.70000111.3F98 R107 L108 R109 A114 F115F98-S111 WeakPolarHBondContact CZ-O 3.33Å; R107-S111 PolarHBondContact O-N 3.28Å; L108-S111 WeakPolarHBondContact O-CB 3.03Å; L108-S111 PolarHBondContact O-N 2.86Å; R109-S111 VanDerWaalsContact C-N 3.32Å; S111-A114 PolarHBondContact O-N 2.9Å; S111-F115 WeakPolarHBondContact O-CB 3.39Å; S111-F115 PolarHBondContact O-N 3.06Å
112W97.3Very high96.1Very high59 Ų5957.1 Ų57.122%0.22329%0.289CS..Hα-helixtrans-60.9-46.2172.9168.670.9000112.1L108 R109 A114 F115 D116 F151 S154L108-W112 PolarHBondContact O-N 3.43Å; R109-W112 HydrophobicContact CG-CE3 4.36Å; R109-W112 PolarHBondContact O-N 2.99Å; W112-A114 VanDerWaalsContact C-N 3.32Å; W112-A114 PolarHBondContact O-N 3.41Å; W112-F115 CarbonylContact O-C 3.27Å; W112-F115 WeakPolarHBondContact O-CB 3.22Å; W112-F115 PolarHBondContact O-N 3.47Å; W112-F115 VanDerWaalsContact O-N 3.14Å; W112-D116 WeakPolarHBondContact O-CB 3.29Å; W112-D116 PolarHBondContact O-N 3.29Å; W112-F151 VanDerWaalsContact CA-CZ 3.46Å; W112-F151 HydrophobicContact CB-CD2 4.02Å; W112-F151 HydrophobicContact CB-CE1 4.43Å; W112-F151 HydrophobicContact CB-CE2 3.65Å; W112-F151 HydrophobicContact CB-CZ 3.89Å; W112-F151 AromaticContact CD1-CG 3.98Å; W112-F151 HydrophobicContact CG-CD2 4.46Å; W112-S154 PolarHBondContact NE1-OG 3.1Å
113Q96.2Very high95.9Very high98 Ų9859.3 Ų59.346%0.45831%0.308SS..Hα-helixtrans-61.5-41177.4-73.7173-37.400112.3R109 E110 F115 D116 K117R109-Q113 WeakPolarHBondContact O-CG 3.17Å; R109-Q113 PolarHBondContact O-N 3.1Å; E110-Q113 PolarHBondContact O-N 2.74Å; Q113-F115 VanDerWaalsContact C-N 3.33Å; Q113-D116 PolarHBondContact O-N 2.93Å; Q113-K117 WeakPolarHBondContact O-CB 3.33Å; Q113-K117 PolarHBondContact O-N 3.14Å
114A96.2Very high95.7Very high4 Ų455.9 Ų55.93%0.03329%0.291CS..Hα-helixtrans-63-42.4175.100000110.8L25 W86 F98 E110 S111 W112 L118L25-A114 HydrophobicContact CD2-CB 3.97Å; W86-A114 HydrophobicContact CH2-CB 4.12Å; W86-A114 HydrophobicContact CZ3-CB 4.09Å; F98-A114 HydrophobicContact CZ-CB 4.36Å; E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 3.4Å; S111-A114 PolarHBondContact O-N 2.9Å; W112-A114 VanDerWaalsContact C-N 3.32Å; W112-A114 PolarHBondContact O-N 3.41Å; A114-L118 WeakPolarHBondContact O-CG 3.49Å; A114-L118 PolarHBondContact O-N 3.01Å
115F96.8Very high95.4Very high0 Ų060 Ų600%032%0.317CS..Hα-helixtrans-62.7-49174.7-179.6-108.2000112.4F98 S111 W112 Q113 K117 L118 L119 I129 I131 F151 L155F98-F115 HydrophobicContact CB-CD2 4.14Å; F98-F115 HydrophobicContact CB-CE2 4.35Å; F98-F115 HydrophobicContact CD1-CB 4.23Å; F98-F115 AromaticContact CD1-CD2 3.74Å; F98-F115 HydrophobicContact CD1-CD2 3.74Å; F98-F115 HydrophobicContact CD1-CG 4.33Å; F98-F115 AromaticContact CD2-CD2 3.94Å; F98-F115 HydrophobicContact CD2-CD2 3.94Å; F98-F115 HydrophobicContact CE1-CB 3.7Å; F98-F115 HydrophobicContact CE1-CD2 4.1Å; F98-F115 HydrophobicContact CE1-CG 4.27Å; F98-F115 HydrophobicContact CE2-CB 4.07Å; F98-F115 HydrophobicContact CE2-CD2 4.27Å; F98-F115 AromaticContact CG-CD2 3.66Å; F98-F115 HydrophobicContact CG-CD2 3.66Å; F98-F115 HydrophobicContact CG-CE2 4.35Å; F98-F115 HydrophobicContact CZ-CB 3.6Å; F98-F115 HydrophobicContact CZ-CD2 4.35Å; F98-F115 HydrophobicContact CZ-CG 4.47Å; S111-F115 WeakPolarHBondContact O-CB 3.39Å; S111-F115 PolarHBondContact O-N 3.06Å; W112-F115 CarbonylContact O-C 3.27Å; W112-F115 WeakPolarHBondContact O-CB 3.22Å; W112-F115 PolarHBondContact O-N 3.47Å; W112-F115 VanDerWaalsContact O-N 3.14Å; Q113-F115 VanDerWaalsContact C-N 3.33Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 2.79Å; F115-L118 VanDerWaalsContact O-CB 3.24Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 PolarHBondContact O-N 2.87Å; F115-L119 HydrophobicContact CD1-CD1 4.3Å; F115-L119 HydrophobicContact CE1-CD1 3.73Å; F115-L119 HydrophobicContact CE1-CD2 4.4Å; F115-L119 HydrophobicContact CE1-CG 4.25Å; F115-L119 HydrophobicContact CE2-CD2 4.32Å; F115-L119 HydrophobicContact CZ-CD1 4.13Å; F115-L119 HydrophobicContact CZ-CD2 4.02Å; F115-L119 HydrophobicContact CZ-CG 4.37Å; F115-L119 PolarHBondContact O-N 3.18Å; F115-I129 HydrophobicContact CE2-CD1 4.19Å; F115-I129 HydrophobicContact CE2-CG2 4.11Å; F115-I129 HydrophobicContact CZ-CD1 4.34Å; F115-I131 HydrophobicContact CE1-CD1 4.21Å; F115-I131 HydrophobicContact CE2-CD1 3.82Å; F115-I131 HydrophobicContact CE2-CG1 4.13Å; F115-I131 HydrophobicContact CZ-CD1 3.64Å; F115-I131 HydrophobicContact CZ-CG1 4.36Å; F115-F151 HydrophobicContact CB-CD1 4.2Å; F115-F151 HydrophobicContact CB-CE1 3.64Å; F115-F151 AromaticContact CD1-CD1 3.6Å; F115-F151 HydrophobicContact CD1-CD1 3.6Å; F115-F151 AromaticContact CD1-CE1 3.95Å; F115-F151 HydrophobicContact CD1-CE1 3.95Å; F115-F151 HydrophobicContact CE1-CD1 4.15Å; F115-F151 AromaticContact CG-CD1 3.94Å; F115-F151 HydrophobicContact CG-CD1 3.94Å; F115-F151 AromaticContact CG-CE1 3.8Å; F115-F151 HydrophobicContact CG-CE1 3.8Å; F115-L155 HydrophobicContact CE1-CD2 4.36Å; F115-L155 HydrophobicContact CZ-CD2 4.43Å
116D95.7Very high95.1Very high26 Ų2658.2 Ų58.214%0.13932%0.324CS..Hα-helixtrans-58.5-43.2-178.8-161.656.5000111.2W112 Q113 L118 L119 D120 S154 K157W112-D116 WeakPolarHBondContact O-CB 3.29Å; W112-D116 PolarHBondContact O-N 3.29Å; Q113-D116 PolarHBondContact O-N 2.93Å; D116-L118 PolarHBondContact O-N 2.8Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 PolarHBondContact O-N 3.05Å; D116-D120 PolarHBondContact O-N 3.03Å; D116-S154 WeakPolarHBondContact CB-OG 3.29Å; D116-S154 WeakPolarHBondContact OD1-CB 3.15Å; D116-S154 PolarHBondContact OD1-OG 2.91Å; D116-K157 IonicContact OD1-NZ 2.83Å; D116-K157 PolarHBondContact OD1-NZ 3.23Å; D116-K157 IonicContact OD2-NZ 3.89Å; D116-K157 PolarHBondContact OD2-NZ 2.83Å
117K93.7Very high94.9Very high131 Ų13154.5 Ų54.557%0.5729%0.292SS*.Hα-helixtrans-60.2-30.2175.4-173.7-179.4178.4-173.80113.3Q113 F115 L119Q113-K117 WeakPolarHBondContact O-CB 3.33Å; Q113-K117 PolarHBondContact O-N 3.14Å; F115-K117 VanDerWaalsContact C-N 3.29Å; F115-K117 PolarHBondContact O-N 2.79Å; K117-L119 VanDerWaalsContact C-N 3.32Å
118L93.6Very high94.9Very high5 Ų554.7 Ų54.73%0.02630%0.3CS..Hα-helixtrans-66.7-38.4174.3-61.4175.1000111.1L23 W86 F90 F98 A114 F115 D116 D120 S121 L124L23-L118 HydrophobicContact CB-CD1 4.21Å; L23-L118 HydrophobicContact CD1-CD1 3.7Å; L23-L118 HydrophobicContact CD1-CD2 3.75Å; L23-L118 HydrophobicContact CD1-CG 4.38Å; W86-L118 HydrophobicContact CD2-CD2 4.46Å; W86-L118 HydrophobicContact CE3-CD2 3.48Å; W86-L118 VanDerWaalsContact CE3-CD2 3.48Å; W86-L118 HydrophobicContact CE3-CG 4.33Å; W86-L118 HydrophobicContact CZ3-CD1 4.38Å; W86-L118 HydrophobicContact CZ3-CD2 3.9Å; W86-L118 HydrophobicContact CZ3-CG 4.26Å; F90-L118 HydrophobicContact CE1-CD2 3.83Å; F90-L118 HydrophobicContact CE2-CD2 4.29Å; F90-L118 HydrophobicContact CZ-CD2 3.33Å; F98-L118 HydrophobicContact CD2-CD1 3.38Å; F98-L118 HydrophobicContact CE2-CD1 3.52Å; A114-L118 WeakPolarHBondContact O-CG 3.49Å; A114-L118 PolarHBondContact O-N 3.01Å; F115-L118 VanDerWaalsContact O-CB 3.24Å; F115-L118 WeakPolarHBondContact O-CB 3.43Å; F115-L118 PolarHBondContact O-N 2.87Å; D116-L118 PolarHBondContact O-N 2.8Å; L118-D120 VanDerWaalsContact C-N 3.27Å; L118-D120 PolarHBondContact O-N 2.96Å; L118-S121 WeakPolarHBondContact O-CB 3.47Å; L118-S121 PolarHBondContact O-N 3.21Å; L118-L124 HydrophobicContact CB-CD1 4.26Å; L118-L124 WeakPolarHBondContact O-CD1 3.45Å
119L92.9Very high94.9Very high26 Ų2653.6 Ų53.614%0.13629%0.294CS..Hα-helixtrans-69.1-28.5-175.6-55.4-170.9000112.4F115 D116 K117 S121 I129 S154 L158F115-L119 HydrophobicContact CD1-CD1 4.3Å; F115-L119 HydrophobicContact CE1-CD1 3.73Å; F115-L119 HydrophobicContact CE1-CD2 4.4Å; F115-L119 HydrophobicContact CE1-CG 4.25Å; F115-L119 HydrophobicContact CE2-CD2 4.32Å; F115-L119 HydrophobicContact CZ-CD1 4.13Å; F115-L119 HydrophobicContact CZ-CD2 4.02Å; F115-L119 HydrophobicContact CZ-CG 4.37Å; F115-L119 PolarHBondContact O-N 3.18Å; D116-L119 WeakPolarHBondContact O-CB 3.43Å; D116-L119 PolarHBondContact O-N 3.05Å; K117-L119 VanDerWaalsContact C-N 3.32Å; L119-S121 PolarHBondContact O-N 2.9Å; L119-I129 HydrophobicContact CD2-CD1 3.53Å; L119-S154 WeakPolarHBondContact CD1-O 3.13Å; L119-L158 HydrophobicContact CD1-CD2 3.8Å; L119-L158 HydrophobicContact CD1-CG 4.31Å; L119-L158 HydrophobicContact CD2-CD2 3.56Å; L119-L158 HydrophobicContact CG-CD2 4.31Å
120D91.5Very high94.8Very high108 Ų10847.1 Ų47.158%0.57828%0.275SS*.THydrogen-bonded Turntrans-69.9-10.7176.6-65-26.1000113.4D116 L118 P122D116-D120 PolarHBondContact O-N 3.03Å; L118-D120 VanDerWaalsContact C-N 3.27Å; L118-D120 PolarHBondContact O-N 2.96Å; D120-P122 VanDerWaalsContact O-CD 3.3Å; D120-P122 WeakPolarHBondContact O-CD 3.35Å
121S93.5Very high94.8Very high21 Ų2145 Ų4515%0.14727%0.265CS..  trans-76.3119.3-179.5177.90000112.1F90 L118 L119 A123 L124F90-S121 WeakPolarHBondContact CD2-OG 3.41Å; L118-S121 WeakPolarHBondContact O-CB 3.47Å; L118-S121 PolarHBondContact O-N 3.21Å; L119-S121 PolarHBondContact O-N 2.9Å; S121-A123 PolarHBondContact O-N 3.18Å; S121-A123 VanDerWaalsContact O-N 3.15Å; S121-A123 PolarHBondContact OG-N 3.2Å; S121-L124 PolarHBondContact O-N 2.79Å
122P92.8Very high94.8Very high112 Ų11245.2 Ų45.273%0.72727%0.266SS*.G310 helixtrans-60.5-27.7176.6-23.834.9000113.5D120 L124 V125D120-P122 VanDerWaalsContact O-CD 3.3Å; D120-P122 WeakPolarHBondContact O-CD 3.35Å; P122-L124 PolarHBondContact O-N 3.25Å; P122-V125 WeakPolarHBondContact O-CG2 3.31Å; P122-V125 PolarHBondContact O-N 3.08Å
123A94.6Very high94.8Very high47 Ų4742.4 Ų42.439%0.38826%0.255SS..G310 helixtrans-70.1-14.1178.700000113.2F90 S121F90-A123 HydrophobicContact CB-CB 3.86Å; S121-A123 PolarHBondContact O-N 3.18Å; S121-A123 VanDerWaalsContact O-N 3.15Å; S121-A123 PolarHBondContact OG-N 3.2Å
124L93.8Very high94.9Very high1 Ų138 Ų381%0.00523%0.234CC..G310 helixtrans-104.53.2-178.6-63.5-177.3000113.2F90 S93 I96 L118 S121 P122 G126 V127 R161F90-L124 HydrophobicContact CB-CD1 4.46Å; F90-L124 HydrophobicContact CB-CD2 3.66Å; F90-L124 HydrophobicContact CB-CG 3.93Å; F90-L124 HydrophobicContact CD1-CD1 3.82Å; F90-L124 HydrophobicContact CD1-CD2 4.01Å; F90-L124 HydrophobicContact CD1-CG 4.2Å; F90-L124 HydrophobicContact CD2-CD1 3.82Å; F90-L124 HydrophobicContact CD2-CG 4.01Å; F90-L124 HydrophobicContact CE1-CD1 3.96Å; F90-L124 HydrophobicContact CE2-CD1 3.95Å; F90-L124 HydrophobicContact CG-CD1 3.77Å; F90-L124 HydrophobicContact CG-CD2 3.83Å; F90-L124 HydrophobicContact CG-CG 3.78Å; F90-L124 HydrophobicContact CZ-CD1 4.04Å; S93-L124 VanDerWaalsContact OG-CD2 3.32Å; S93-L124 WeakPolarHBondContact OG-CD2 3.49Å; I96-L124 HydrophobicContact CD1-CB 4.41Å; I96-L124 HydrophobicContact CD1-CD1 3.61Å; I96-L124 HydrophobicContact CD1-CD2 3.59Å; I96-L124 HydrophobicContact CD1-CG 4.06Å; L118-L124 HydrophobicContact CB-CD1 4.26Å; L118-L124 WeakPolarHBondContact O-CD1 3.45Å; S121-L124 PolarHBondContact O-N 2.79Å; P122-L124 PolarHBondContact O-N 3.25Å; L124-G126 PolarHBondContact O-N 2.62Å; L124-V127 HydrophobicContact CD2-CG2 4.45Å; L124-V127 PolarHBondContact O-N 3.45Å; L124-V127 VanDerWaalsContact O-N 3.16Å; L124-R161 PolarHBondContact O-NH1 3.35Å; L124-R161 PolarHBondContact O-NH2 2.99Å
125V91.6Very high94.9Very high117 Ų11739.5 Ų39.571%0.70924%0.24SC*.THydrogen-bonded Turntrans-59.4126.5176.6174.80000109.6P122 V127P122-V125 WeakPolarHBondContact O-CG2 3.31Å; P122-V125 PolarHBondContact O-N 3.08Å; V125-V127 PolarHBondContact O-N 3.14Å
126G90.6Very high94.8Very high58 Ų5842.4 Ų42.460%0.59825%0.254SS*.THydrogen-bonded Turntrans76-6.8-179.600000116L124L124-G126 PolarHBondContact O-N 2.62Å
127V95Very high94.7Very high18 Ų1844.5 Ų44.511%0.10927%0.265CS..  trans-73.1119.4179.7175.10000110.1I96 L124 V125 R161I96-V127 HydrophobicContact CD1-CG1 4.22Å; I96-V127 HydrophobicContact CG1-CG1 4.21Å; L124-V127 HydrophobicContact CD2-CG2 4.45Å; L124-V127 PolarHBondContact O-N 3.45Å; L124-V127 VanDerWaalsContact O-N 3.16Å; V125-V127 PolarHBondContact O-N 3.14Å; V127-R161 PolarHBondContact O-NE 3.01Å; V127-R161 PolarHBondContact O-NH2 2.88Å
128P96.3Very high94.7Very high57 Ų5741.4 Ų41.437%0.3725%0.254SS..  trans-59.4142.6-176.524.1-35000113.1H94 I96 D162H94-P128 WeakPolarHBondContact O-CD 3.24Å; I96-P128 PolarHBondContact N-O 3.34Å; P128-D162 WeakPolarHBondContact CA-O 3.35Å; P128-D162 HydrophobicContact CB-CB 4.03Å
129I97.6Very high94.7Very high5 Ų552.7 Ų52.73%0.02630%0.296CS..EExtended strand (participates in β ladder)trans-116.6135.6178.8-64.1171.9000110.8I96 F115 L119 I131 L158 R161 D162 C163 S164I96-I129 HydrophobicContact CB-CG1 4.15Å; I96-I129 HydrophobicContact CD1-CG1 4.4Å; I96-I129 CarbonylContact O-C 3.59Å; I96-I129 WeakPolarHBondContact O-CA 3.46Å; F115-I129 HydrophobicContact CE2-CD1 4.19Å; F115-I129 HydrophobicContact CE2-CG2 4.11Å; F115-I129 HydrophobicContact CZ-CD1 4.34Å; L119-I129 HydrophobicContact CD2-CD1 3.53Å; I129-I131 HydrophobicContact CG2-CG1 3.95Å; I129-L158 HydrophobicContact CD1-CD2 3.96Å; I129-R161 VanDerWaalsContact CD1-NH2 3.28Å; I129-R161 VanDerWaalsContact CG1-NH2 3.27Å; I129-D162 PolarHBondContact N-O 2.79Å; I129-C163 VanDerWaalsContact O-CA 3.24Å; I129-C163 WeakPolarHBondContact O-CA 3.39Å; I129-S164 PolarHBondContact O-N 3.14Å
130V96.5Very high94.9Very high45 Ų4553.9 Ų53.927%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-114.7122.7161.6179.40000109.1I96 V97 F98 I132 S164 F166I96-V130 PolarHBondContact O-N 3.4Å; V97-V130 CarbonylContact C-O 3.57Å; V97-V130 VanDerWaalsContact CA-O 3.32Å; V97-V130 WeakPolarHBondContact CA-O 3.24Å; F98-V130 PolarHBondContact N-O 3.15Å; V130-I132 HydrophobicContact CG1-CG1 3.98Å; V130-S164 CarbonylContact C-O 3.55Å; V130-S164 WeakPolarHBondContact CA-O 3.34Å; V130-F166 HydrophobicContact CG1-CD2 4.14Å; V130-F166 HydrophobicContact CG1-CE2 4.35Å
131I97.7Very high95.1Very high1 Ų150.1 Ų50.11%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-94124.5170.8-52.3-179000108.8F98 V100 F115 I129 F151 L155 S164 I165 F166F98-I131 CarbonylContact O-C 3.42Å; F98-I131 VanDerWaalsContact O-CA 3.31Å; F98-I131 WeakPolarHBondContact O-CA 3.39Å; V100-I131 HydrophobicContact CG2-CG2 3.9Å; F115-I131 HydrophobicContact CE1-CD1 4.21Å; F115-I131 HydrophobicContact CE2-CD1 3.82Å; F115-I131 HydrophobicContact CE2-CG1 4.13Å; F115-I131 HydrophobicContact CZ-CD1 3.64Å; F115-I131 HydrophobicContact CZ-CG1 4.36Å; I129-I131 HydrophobicContact CG2-CG1 3.95Å; I131-F151 HydrophobicContact CD1-CD1 4.47Å; I131-L155 HydrophobicContact CD1-CD2 3.8Å; I131-S164 PolarHBondContact N-O 2.92Å; I131-I165 HydrophobicContact CB-CB 4.4Å; I131-I165 HydrophobicContact CB-CG1 4.01Å; I131-I165 HydrophobicContact CB-CG2 4.16Å; I131-I165 HydrophobicContact CD1-CD1 3.99Å; I131-I165 HydrophobicContact CD1-CG1 4.12Å; I131-I165 HydrophobicContact CG1-CG1 4.29Å; I131-I165 HydrophobicContact CG2-CG2 4.34Å; I131-I165 WeakPolarHBondContact O-CA 3.48Å; I131-F166 PolarHBondContact O-N 3.02Å
132I97.4Very high95.3Very high11 Ų1149.8 Ų49.86%0.05629%0.293CS..EExtended strand (participates in β ladder)trans-110.4108.9177.5-58.6-177.7000108.7L33 V97 F98 V99 V100 V130 N134 A168 F174L33-I132 HydrophobicContact CD1-CD1 4.21Å; L33-I132 HydrophobicContact CD1-CG2 4.23Å; L33-I132 HydrophobicContact CD2-CD1 3.77Å; V97-I132 HydrophobicContact CG1-CD1 3.47Å; V97-I132 VanDerWaalsContact CG1-CD1 3.47Å; V97-I132 HydrophobicContact CG1-CG1 4Å; F98-I132 PolarHBondContact O-N 2.78Å; V99-I132 WeakPolarHBondContact CA-O 3.42Å; V100-I132 PolarHBondContact N-O 3.35Å; V130-I132 HydrophobicContact CG1-CG1 3.98Å; I132-N134 HydrophobicContact CG2-CB 4.46Å; I132-N134 PolarHBondContact O-N 3.18Å; I132-N134 VanDerWaalsContact O-N 3.16Å; I132-A168 HydrophobicContact CG2-CB 3.68Å; I132-F174 HydrophobicContact CD1-CE1 4.05Å; I132-F174 HydrophobicContact CG2-CE1 4.35Å
133C97.7Very high95.5Very high0 Ų046.5 Ų46.50%027%0.273CS..EExtended strand (participates in β ladder)trans-78.293.3170.9-570000108.1S102 Q136 V144 I147 F166 G167 A168S102-C133 WeakPolarHBondContact OG-CB 3.26Å; C133-Q136 VanDerWaalsContact O-CG 3.24Å; C133-Q136 WeakPolarHBondContact O-CG 3.38Å; C133-V144 HydrophobicContact CB-CG2 4.18Å; C133-I147 HydrophobicContact CB-CD1 3.67Å; C133-F166 PolarHBondContact N-O 3.08Å; C133-G167 CarbonylContact O-C 3.55Å; C133-G167 WeakPolarHBondContact O-CA 3.48Å; C133-A168 PolarHBondContact O-N 2.82Å
134N97.5Very high95.5Very high4 Ų446.2 Ų46.22%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-89.1162.2-171.6-17134.4000112.7A28 V99 V100 S102 I132 A168 A170A28-N134 PolarHBondContact O-ND2 3.38Å; V99-N134 HydrophobicContact CG1-CB 3.77Å; V100-N134 PolarHBondContact O-N 2.81Å; S102-N134 WeakPolarHBondContact CB-O 3.47Å; S102-N134 PolarHBondContact N-O 2.9Å; S102-N134 PolarHBondContact OG-O 2.86Å; I132-N134 HydrophobicContact CG2-CB 4.46Å; I132-N134 PolarHBondContact O-N 3.18Å; I132-N134 VanDerWaalsContact O-N 3.16Å; N134-A168 CarbonylContact C-O 3.58Å; N134-A168 WeakPolarHBondContact CA-O 3.44Å; N134-A170 WeakPolarHBondContact OD1-CB 3.29Å; N134-A170 PolarHBondContact OD1-N 3.43Å
135K96Very high95.7Very high37 Ų3752.6 Ų52.616%0.16130%0.296CS..  trans68.831.6-178.8-45.8-169.2-167.81700113.9N27 D101 D137 I138 A168N27-K135 PolarHBondContact ND2-NZ 3.07Å; N27-K135 VanDerWaalsContact ND2-NZ 3.18Å; N27-K135 VanDerWaalsContact O-CE 3.26Å; N27-K135 WeakPolarHBondContact O-CE 3.46Å; N27-K135 PolarHBondContact O-NZ 3.19Å; D101-K135 WeakPolarHBondContact OD1-CD 3.37Å; D101-K135 IonicContact OD1-NZ 3.91Å; D101-K135 VanDerWaalsContact OD2-CE 3.27Å; D101-K135 WeakPolarHBondContact OD2-CE 3.42Å; D101-K135 IonicContact OD2-NZ 3.87Å; D101-K135 PolarHBondContact OD2-NZ 3.42Å; K135-D137 WeakPolarHBondContact CA-OD1 3.35Å; K135-D137 PolarHBondContact O-N 2.77Å; K135-D137 VanDerWaalsContact O-N 3.15Å; K135-I138 HydrophobicContact CB-CD1 3.84Å; K135-I138 HydrophobicContact CB-CG1 4.2Å; K135-I138 HydrophobicContact CD-CD1 4.04Å; K135-I138 HydrophobicContact CG-CD1 4.45Å; K135-I138 PolarHBondContact O-N 2.71Å; K135-I138 VanDerWaalsContact O-N 3.14Å; K135-A168 PolarHBondContact N-O 2.82Å
136Q94.8Very high96Very high61 Ų6151.6 Ų51.629%0.28528%0.284SS..THydrogen-bonded Turntrans-65.7-9.7175.4-67.7-76.7-5400113.5S102 C133 I138 L142 A168S102-Q136 PolarHBondContact OG-NE2 3.17Å; C133-Q136 VanDerWaalsContact O-CG 3.24Å; C133-Q136 WeakPolarHBondContact O-CG 3.38Å; Q136-I138 VanDerWaalsContact C-N 3.3Å; Q136-L142 PolarHBondContact NE2-O 3.07Å; Q136-A168 WeakPolarHBondContact CB-O 3.49Å; Q136-A168 PolarHBondContact N-O 2.75Å
137D93.1Very high96.3Very high70 Ų7049 Ų4937%0.37426%0.256SS..THydrogen-bonded Turntrans-76.8-15.1173.157.5-69.2000113.7K135 S169 L172K135-D137 WeakPolarHBondContact CA-OD1 3.35Å; K135-D137 PolarHBondContact O-N 2.77Å; K135-D137 VanDerWaalsContact O-N 3.15Å; D137-S169 WeakPolarHBondContact OD1-CB 3.35Å; D137-S169 PolarHBondContact OD1-OG 3.4Å; D137-L172 HydrophobicContact CB-CD1 3.62Å; D137-L172 HydrophobicContact CB-CG 4.29Å
138I94.6Very high96.4Very high66 Ų6653.8 Ų53.834%0.33828%0.275SS..SBendtrans-87.5128.4-176.2-52.8-177.6000110.1M103 K135 Q136 G140 C141M103-I138 HydrophobicContact CB-CD1 4.3Å; M103-I138 HydrophobicContact CG-CB 4.42Å; M103-I138 HydrophobicContact CG-CD1 4.36Å; M103-I138 HydrophobicContact CG-CG2 3.93Å; M103-I138 HydrophobicContact SD-CB 4.31Å; M103-I138 HydrophobicContact SD-CG2 3.67Å; K135-I138 HydrophobicContact CB-CD1 3.84Å; K135-I138 HydrophobicContact CB-CG1 4.2Å; K135-I138 HydrophobicContact CD-CD1 4.04Å; K135-I138 HydrophobicContact CG-CD1 4.45Å; K135-I138 PolarHBondContact O-N 2.71Å; K135-I138 VanDerWaalsContact O-N 3.14Å; Q136-I138 VanDerWaalsContact C-N 3.3Å; I138-G140 PolarHBondContact O-N 3.16Å; I138-C141 WeakPolarHBondContact O-CB 3.47Å; I138-C141 PolarHBondContact O-N 2.87Å; I138-C141 PolarHBondContact O-SG 3.35Å
139R94.5Very high96.4Very high241 Ų24154.9 Ų54.991%0.90928%0.281SS*.THydrogen-bonded Turntrans-62131.1176.1-175.5-179.8-180-176.40.4110.6
140G95.8Very high96.4Very high52 Ų5256.7 Ų56.754%0.53630%0.297SS..THydrogen-bonded Turntrans868.5-179.300000113.8H105 I138H105-G140 PolarHBondContact CE1-O 2.99Å; H105-G140 PolarHBondContact NE2-O 3.49Å; I138-G140 PolarHBondContact O-N 3.16Å
141C96.6Very high96.4Very high29 Ų2954.6 Ų54.620%0.19628%0.284CS..PPolyproline II helixtrans-65.4154.8167.667.70000111.5S102 M103 I138S102-C141 CarbonylContact O-C 3.53Å; S102-C141 WeakPolarHBondContact O-CA 3.26Å; M103-C141 HydrophobicContact SD-CB 4.36Å; I138-C141 WeakPolarHBondContact O-CB 3.47Å; I138-C141 PolarHBondContact O-N 2.87Å; I138-C141 PolarHBondContact O-SG 3.35Å
142L97.8Very high96.2Very high13 Ų1356.7 Ų56.77%0.06830%0.298CS..PPolyproline II helixtrans-64.9136.6168.6-65.3163.5000110S102 H105 L108 Q136 E146 I147S102-L142 WeakPolarHBondContact O-CB 3.45Å; S102-L142 PolarHBondContact O-N 3.42Å; H105-L142 VanDerWaalsContact CE1-CD2 3.48Å; H105-L142 WeakPolarHBondContact CE1-CD2 3.49Å; H105-L142 VanDerWaalsContact CE1-CG 3.49Å; H105-L142 WeakPolarHBondContact CE1-CG 3.38Å; H105-L142 WeakPolarHBondContact ND1-CD2 3.33Å; L108-L142 HydrophobicContact CB-CD1 4.47Å; L108-L142 HydrophobicContact CD1-CD1 3.98Å; L108-L142 HydrophobicContact CD2-CD1 3.67Å; L108-L142 HydrophobicContact CG-CD1 4.25Å; Q136-L142 PolarHBondContact NE2-O 3.07Å; L142-E146 HydrophobicContact CB-CB 4.42Å; L142-E146 HydrophobicContact CD2-CB 4.11Å; L142-I147 HydrophobicContact CB-CD1 4.04Å; L142-I147 HydrophobicContact CB-CG1 3.85Å; L142-I147 HydrophobicContact CD1-CG1 4.17Å
143S96Very high96Very high44 Ų4461.2 Ų61.231%0.30832%0.323SS..PPolyproline II helixtrans-66.3158.6168.766.50000111.3H145 E146 I147S143-H145 PolarHBondContact O-N 3.03Å; S143-E146 VanDerWaalsContact CB-OE2 3.29Å; S143-E146 WeakPolarHBondContact CB-OE2 3.31Å; S143-E146 PolarHBondContact N-OE2 2.89Å; S143-E146 PolarHBondContact O-N 3.45Å; S143-E146 WeakPolarHBondContact OG-CG 3.24Å; S143-E146 PolarHBondContact OG-N 3.35Å; S143-E146 VanDerWaalsContact OG-N 3.14Å; S143-E146 PolarHBondContact OG-OE2 3.11Å; S143-I147 PolarHBondContact O-N 3.29Å; S143-I147 VanDerWaalsContact O-N 3.12Å
144V95.9Very high95.8Very high41 Ų4161.2 Ų61.225%0.24832%0.323CS..Hα-helixtrans-56.6-35171.8-179.60000111.2C133 K148 I165 G167C133-V144 HydrophobicContact CB-CG2 4.18Å; V144-K148 VanDerWaalsContact O-CB 3.27Å; V144-K148 WeakPolarHBondContact O-CB 3.41Å; V144-K148 PolarHBondContact O-N 3.06Å; V144-I165 HydrophobicContact CG1-CG2 3.82Å; V144-G167 VanDerWaalsContact CG2-CA 3.5Å
145H96.5Very high95.6Very high135 Ų13562 Ų6263%0.62533%0.327SS*.Hα-helixtrans-64.9-47.3177.3-178.572.5000111.8S143 I147 K148 T149S143-H145 PolarHBondContact O-N 3.03Å; H145-I147 VanDerWaalsContact C-N 3.34Å; H145-I147 PolarHBondContact O-N 2.87Å; H145-K148 PolarHBondContact O-N 3.43Å; H145-T149 WeakPolarHBondContact O-CB 3.37Å; H145-T149 PolarHBondContact O-N 2.9Å; H145-T149 PolarHBondContact O-OG1 3.25Å
146E97.6Very high95.3Very high96 Ų9664.6 Ų64.645%0.44934%0.343SS..Hα-helixtrans-61.5-41.3177.7-72.7160.5123.500112.2L142 S143 T149 A150L142-E146 HydrophobicContact CB-CB 4.42Å; L142-E146 HydrophobicContact CD2-CB 4.11Å; S143-E146 VanDerWaalsContact CB-OE2 3.29Å; S143-E146 WeakPolarHBondContact CB-OE2 3.31Å; S143-E146 PolarHBondContact N-OE2 2.89Å; S143-E146 PolarHBondContact O-N 3.45Å; S143-E146 WeakPolarHBondContact OG-CG 3.24Å; S143-E146 PolarHBondContact OG-N 3.35Å; S143-E146 VanDerWaalsContact OG-N 3.14Å; S143-E146 PolarHBondContact OG-OE2 3.11Å; E146-T149 PolarHBondContact O-N 2.94Å; E146-A150 WeakPolarHBondContact O-CB 3.43Å; E146-A150 PolarHBondContact O-N 3.27Å
147I98.1Very high95Very high2 Ų266.1 Ų66.11%0.0135%0.348CS..Hα-helixtrans-66.6-43.3176.2-65.1165.2000110.8V100 S102 L108 C133 L142 S143 H145 T149 A150 F151V100-I147 HydrophobicContact CB-CG2 4.45Å; V100-I147 HydrophobicContact CG1-CD1 4.23Å; V100-I147 HydrophobicContact CG1-CG2 4.03Å; V100-I147 HydrophobicContact CG2-CG2 4.46Å; S102-I147 WeakPolarHBondContact OG-CD1 3.27Å; L108-I147 HydrophobicContact CD1-CG1 4.22Å; C133-I147 HydrophobicContact CB-CD1 3.67Å; L142-I147 HydrophobicContact CB-CD1 4.04Å; L142-I147 HydrophobicContact CB-CG1 3.85Å; L142-I147 HydrophobicContact CD1-CG1 4.17Å; S143-I147 PolarHBondContact O-N 3.29Å; S143-I147 VanDerWaalsContact O-N 3.12Å; H145-I147 VanDerWaalsContact C-N 3.34Å; H145-I147 PolarHBondContact O-N 2.87Å; I147-T149 VanDerWaalsContact C-N 3.31Å; I147-T149 PolarHBondContact O-N 2.86Å; I147-A150 PolarHBondContact O-N 2.78Å; I147-F151 HydrophobicContact CG2-CD2 4.2Å; I147-F151 HydrophobicContact CG2-CE2 4.24Å; I147-F151 VanDerWaalsContact O-CD2 3.31Å; I147-F151 WeakPolarHBondContact O-CD2 3.1Å; I147-F151 PolarHBondContact O-N 3.2Å
148K96.4Very high94.7Very high119 Ų11963.6 Ų63.652%0.51734%0.335SS..Hα-helixtrans-58.8-44.5175.8-176.3179-179.6-176.80111V144 H145 F151 S152 L155 I165V144-K148 VanDerWaalsContact O-CB 3.27Å; V144-K148 WeakPolarHBondContact O-CB 3.41Å; V144-K148 PolarHBondContact O-N 3.06Å; H145-K148 PolarHBondContact O-N 3.43Å; K148-F151 CarbonylContact O-C 3.53Å; K148-F151 PolarHBondContact O-N 3.05Å; K148-S152 PolarHBondContact O-N 3.13Å; K148-S152 VanDerWaalsContact O-N 3.1Å; K148-L155 HydrophobicContact CG-CD1 3.83Å; K148-I165 HydrophobicContact CB-CD1 4.45Å; K148-I165 HydrophobicContact CG-CD1 4.12Å
149T96.8Very high94.1Very high81 Ų8167.8 Ų67.850%0.49735%0.352SS..Hα-helixtrans-62.9-41.7176-610000111.5H145 E146 I147 F151 S152H145-T149 WeakPolarHBondContact O-CB 3.37Å; H145-T149 PolarHBondContact O-N 2.9Å; H145-T149 PolarHBondContact O-OG1 3.25Å; E146-T149 PolarHBondContact O-N 2.94Å; I147-T149 VanDerWaalsContact C-N 3.31Å; I147-T149 PolarHBondContact O-N 2.86Å; T149-F151 PolarHBondContact O-N 2.61Å; T149-S152 PolarHBondContact O-N 3.33Å; T149-S152 PolarHBondContact O-OG 3.26Å; T149-S152 VanDerWaalsContact O-OG 3.13Å
150A96.8Very high93.3Very high43 Ų4364.3 Ų64.336%0.35535%0.352SS..Hα-helixtrans-65.6-22176.700000113.7L108 E146 I147L108-A150 HydrophobicContact CD2-CB 3.7Å; L108-A150 HydrophobicContact CG-CB 4.27Å; E146-A150 WeakPolarHBondContact O-CB 3.43Å; E146-A150 PolarHBondContact O-N 3.27Å; I147-A150 PolarHBondContact O-N 2.78Å
151F97.2Very high93Very high1 Ų163.2 Ų63.20%0.00433%0.332CS..THydrogen-bonded Turntrans-104.23.9-178.1-79.2-130.6000112.6F98 V100 L108 W112 F115 I131 I147 K148 T149 D153 S154 L155F98-F151 HydrophobicContact CD1-CE1 4.49Å; F98-F151 HydrophobicContact CE1-CE1 4.09Å; F98-F151 HydrophobicContact CE1-CZ 4.46Å; V100-F151 HydrophobicContact CG2-CE1 4.09Å; V100-F151 HydrophobicContact CG2-CZ 3.85Å; L108-F151 HydrophobicContact CD1-CE2 3.96Å; W112-F151 VanDerWaalsContact CA-CZ 3.46Å; W112-F151 HydrophobicContact CB-CD2 4.02Å; W112-F151 HydrophobicContact CB-CE1 4.43Å; W112-F151 HydrophobicContact CB-CE2 3.65Å; W112-F151 HydrophobicContact CB-CZ 3.89Å; W112-F151 AromaticContact CD1-CG 3.98Å; W112-F151 HydrophobicContact CG-CD2 4.46Å; F115-F151 HydrophobicContact CB-CD1 4.2Å; F115-F151 HydrophobicContact CB-CE1 3.64Å; F115-F151 AromaticContact CD1-CD1 3.6Å; F115-F151 HydrophobicContact CD1-CD1 3.6Å; F115-F151 AromaticContact CD1-CE1 3.95Å; F115-F151 HydrophobicContact CD1-CE1 3.95Å; F115-F151 HydrophobicContact CE1-CD1 4.15Å; F115-F151 AromaticContact CG-CD1 3.94Å; F115-F151 HydrophobicContact CG-CD1 3.94Å; F115-F151 AromaticContact CG-CE1 3.8Å; F115-F151 HydrophobicContact CG-CE1 3.8Å; I131-F151 HydrophobicContact CD1-CD1 4.47Å; I147-F151 HydrophobicContact CG2-CD2 4.2Å; I147-F151 HydrophobicContact CG2-CE2 4.24Å; I147-F151 VanDerWaalsContact O-CD2 3.31Å; I147-F151 WeakPolarHBondContact O-CD2 3.1Å; I147-F151 PolarHBondContact O-N 3.2Å; K148-F151 CarbonylContact O-C 3.53Å; K148-F151 PolarHBondContact O-N 3.05Å; T149-F151 PolarHBondContact O-N 2.61Å; F151-D153 VanDerWaalsContact C-N 3.31Å; F151-D153 PolarHBondContact O-N 3.19Å; F151-S154 PolarHBondContact O-N 3.41Å; F151-L155 HydrophobicContact CB-CD1 4.12Å; F151-L155 HydrophobicContact CB-CG 4.18Å; F151-L155 WeakPolarHBondContact O-CG 3.47Å; F151-L155 PolarHBondContact O-N 3.18Å
152S94.4Very high92.8Very high44 Ų4467.9 Ų67.931%0.30836%0.355SS..Hα-helixtrans-49.9-49-17255.60000112.9K148 T149 S154 L155 D156K148-S152 PolarHBondContact O-N 3.13Å; K148-S152 VanDerWaalsContact O-N 3.1Å; T149-S152 PolarHBondContact O-N 3.33Å; T149-S152 PolarHBondContact O-OG 3.26Å; T149-S152 VanDerWaalsContact O-OG 3.13Å; S152-S154 PolarHBondContact O-N 2.81Å; S152-L155 PolarHBondContact O-N 2.61Å; S152-D156 VanDerWaalsContact O-CG 3.28Å; S152-D156 PolarHBondContact O-N 3.1Å
153D92.6Very high92.6Very high106 Ų10669.3 Ų69.357%0.56737%0.365SS*.Hα-helixtrans-61.2-32.7-175.4-62.10.7000112.5F151 K157F151-D153 VanDerWaalsContact C-N 3.31Å; F151-D153 PolarHBondContact O-N 3.19Å; D153-K157 WeakPolarHBondContact O-CG 3.45Å
154S93.9Very high92.5Very high0 Ų069.7 Ų69.70%037%0.368CS..Hα-helixtrans-84.1-33.6176.1-59.40000112W112 D116 L119 F151 S152 D156 K157W112-S154 PolarHBondContact NE1-OG 3.1Å; D116-S154 WeakPolarHBondContact CB-OG 3.29Å; D116-S154 WeakPolarHBondContact OD1-CB 3.15Å; D116-S154 PolarHBondContact OD1-OG 2.91Å; L119-S154 WeakPolarHBondContact CD1-O 3.13Å; F151-S154 PolarHBondContact O-N 3.41Å; S152-S154 PolarHBondContact O-N 2.81Å; S154-D156 VanDerWaalsContact C-N 3.29Å; S154-K157 WeakPolarHBondContact O-CB 3.35Å; S154-K157 PolarHBondContact O-N 2.65Å
155L92.9Very high92.4Very high21 Ų2169.5 Ų69.511%0.1137%0.365CS..Hα-helixtrans-65.6-35.8176.4-67.1173.8000111.3F115 I131 K148 F151 S152 K157 L158 I165F115-L155 HydrophobicContact CE1-CD2 4.36Å; F115-L155 HydrophobicContact CZ-CD2 4.43Å; I131-L155 HydrophobicContact CD1-CD2 3.8Å; K148-L155 HydrophobicContact CG-CD1 3.83Å; F151-L155 HydrophobicContact CB-CD1 4.12Å; F151-L155 HydrophobicContact CB-CG 4.18Å; F151-L155 WeakPolarHBondContact O-CG 3.47Å; F151-L155 PolarHBondContact O-N 3.18Å; S152-L155 PolarHBondContact O-N 2.61Å; L155-K157 PolarHBondContact O-N 3.18Å; L155-L158 HydrophobicContact CD2-CD1 3.7Å; L155-L158 VanDerWaalsContact O-CB 3.26Å; L155-L158 WeakPolarHBondContact O-CB 3.21Å; L155-L158 WeakPolarHBondContact O-CG 3.27Å; L155-L158 PolarHBondContact O-N 3.09Å; L155-L158 VanDerWaalsContact O-N 3.1Å; L155-I165 HydrophobicContact CD1-CD1 3.62Å; L155-I165 HydrophobicContact CD2-CD1 3.9Å; L155-I165 HydrophobicContact CG-CD1 4.43Å
156D89.1Confident92.3Very high92 Ų9266.4 Ų66.449%0.49235%0.35SS..G310 helixtrans-66.6-26.7177-67-18.5000112.3S152 S154 L158S152-D156 VanDerWaalsContact O-CG 3.28Å; S152-D156 PolarHBondContact O-N 3.1Å; S154-D156 VanDerWaalsContact C-N 3.29Å; D156-L158 PolarHBondContact O-N 3.18Å
157K88.1Confident92.1Very high93 Ų9363.1 Ų63.140%0.40434%0.342SS..G310 helixtrans-70.7-14.2173.8-61.6174.8-174.8178.60113.4D116 D153 S154 L155 H159D116-K157 IonicContact OD1-NZ 2.83Å; D116-K157 PolarHBondContact OD1-NZ 3.23Å; D116-K157 IonicContact OD2-NZ 3.89Å; D116-K157 PolarHBondContact OD2-NZ 2.83Å; D153-K157 WeakPolarHBondContact O-CG 3.45Å; S154-K157 WeakPolarHBondContact O-CB 3.35Å; S154-K157 PolarHBondContact O-N 2.65Å; L155-K157 PolarHBondContact O-N 3.18Å; K157-H159 VanDerWaalsContact C-N 3.25Å; K157-H159 PolarHBondContact O-CD2 3.3Å; K157-H159 VanDerWaalsContact O-CD2 3.22Å; K157-H159 PolarHBondContact O-N 3.07Å
158L87.4Confident91.9Very high16 Ų1663.3 Ų63.38%0.08434%0.344CS..G310 helixtrans-71.9-21.5-175.7-63.4172.4000112.2L119 I129 L155 D156 D160 R161 C163L119-L158 HydrophobicContact CD1-CD2 3.8Å; L119-L158 HydrophobicContact CD1-CG 4.31Å; L119-L158 HydrophobicContact CD2-CD2 3.56Å; L119-L158 HydrophobicContact CG-CD2 4.31Å; I129-L158 HydrophobicContact CD1-CD2 3.96Å; L155-L158 HydrophobicContact CD2-CD1 3.7Å; L155-L158 VanDerWaalsContact O-CB 3.26Å; L155-L158 WeakPolarHBondContact O-CB 3.21Å; L155-L158 WeakPolarHBondContact O-CG 3.27Å; L155-L158 PolarHBondContact O-N 3.09Å; L155-L158 VanDerWaalsContact O-N 3.1Å; D156-L158 PolarHBondContact O-N 3.18Å; L158-D160 PolarHBondContact O-N 3.4Å; L158-R161 HydrophobicContact CB-CB 4.26Å; L158-R161 WeakPolarHBondContact O-CB 3.49Å; L158-R161 PolarHBondContact O-N 3.36Å; L158-C163 HydrophobicContact CD1-CB 3.6Å; L158-C163 VanDerWaalsContact CD1-SG 3.57Å
159H80.8Confident91.8Very high154 Ų15458.2 Ų58.271%0.71332%0.323SS*.THydrogen-bonded Turntrans47.4-122.8-178.1-59.3-65.9000111.3K157 R161K157-H159 VanDerWaalsContact C-N 3.25Å; K157-H159 PolarHBondContact O-CD2 3.3Å; K157-H159 VanDerWaalsContact O-CD2 3.22Å; K157-H159 PolarHBondContact O-N 3.07Å; H159-R161 PolarHBondContact O-N 3.35Å
160D79.1Confident91.4Very high168 Ų16854.4 Ų54.490%0.89830%0.3SS*.THydrogen-bonded Turntrans-81.27.7-179.6-62.9-33.9000114.1L158 D162L158-D160 PolarHBondContact O-N 3.4Å; D160-D162 PolarHBondContact O-N 3.15Å
161R89.9Confident90.9Very high30 Ų3057.7 Ų57.711%0.11331%0.311CS..SBendtrans-75.3123.1179.2-177.6176.4175.8172.514110.3L124 V127 I129 L158 H159 C163L124-R161 PolarHBondContact O-NH1 3.35Å; L124-R161 PolarHBondContact O-NH2 2.99Å; V127-R161 PolarHBondContact O-NE 3.01Å; V127-R161 PolarHBondContact O-NH2 2.88Å; I129-R161 VanDerWaalsContact CD1-NH2 3.28Å; I129-R161 VanDerWaalsContact CG1-NH2 3.27Å; L158-R161 HydrophobicContact CB-CB 4.26Å; L158-R161 WeakPolarHBondContact O-CB 3.49Å; L158-R161 PolarHBondContact O-N 3.36Å; H159-R161 PolarHBondContact O-N 3.35Å; R161-C163 PolarHBondContact O-N 2.86Å
162D90.6Very high90.1Very high127 Ų12764.3 Ų64.368%0.67935%0.346SS*.  trans-53.8115.7174.9-77-32.3000111.4P128 I129 D160P128-D162 WeakPolarHBondContact CA-O 3.35Å; P128-D162 HydrophobicContact CB-CB 4.03Å; I129-D162 PolarHBondContact N-O 2.79Å; D160-D162 PolarHBondContact O-N 3.15Å
163C94Very high88.9Confident42 Ų4263.5 Ų63.528%0.28434%0.344SS..EExtended strand (participates in β ladder)trans-136.8130.8178-177.60000111.6I129 L158 R161I129-C163 VanDerWaalsContact O-CA 3.24Å; I129-C163 WeakPolarHBondContact O-CA 3.39Å; L158-C163 HydrophobicContact CD1-CB 3.6Å; L158-C163 VanDerWaalsContact CD1-SG 3.57Å; R161-C163 PolarHBondContact O-N 2.86Å
164S93.7Very high87.5Confident53 Ų5360 Ų6037%0.37132%0.324SS..EExtended strand (participates in β ladder)trans-127145.6175.3-59.30000111.6I129 V130 I131I129-S164 PolarHBondContact O-N 3.14Å; V130-S164 CarbonylContact C-O 3.55Å; V130-S164 WeakPolarHBondContact CA-O 3.34Å; I131-S164 PolarHBondContact N-O 2.92Å
165I95Very high85.4Confident36 Ų3663.5 Ų63.519%0.18535%0.353CS..EExtended strand (participates in β ladder)trans-128.8127.8-179.2-50.3-174.1000109.4I131 V144 K148 L155I131-I165 HydrophobicContact CB-CB 4.4Å; I131-I165 HydrophobicContact CB-CG1 4.01Å; I131-I165 HydrophobicContact CB-CG2 4.16Å; I131-I165 HydrophobicContact CD1-CD1 3.99Å; I131-I165 HydrophobicContact CD1-CG1 4.12Å; I131-I165 HydrophobicContact CG1-CG1 4.29Å; I131-I165 HydrophobicContact CG2-CG2 4.34Å; I131-I165 WeakPolarHBondContact O-CA 3.48Å; V144-I165 HydrophobicContact CG1-CG2 3.82Å; K148-I165 HydrophobicContact CB-CD1 4.45Å; K148-I165 HydrophobicContact CG-CD1 4.12Å; L155-I165 HydrophobicContact CD1-CD1 3.62Å; L155-I165 HydrophobicContact CD2-CD1 3.9Å; L155-I165 HydrophobicContact CG-CD1 4.43Å
166F93.1Very high83.1Confident70 Ų7068.1 Ų68.131%0.30737%0.372SS..EExtended strand (participates in β ladder)trans-141.2149.1179-48.9-77.3000112.6V130 I131 C133V130-F166 HydrophobicContact CG1-CD2 4.14Å; V130-F166 HydrophobicContact CG1-CE2 4.35Å; I131-F166 PolarHBondContact O-N 3.02Å; C133-F166 PolarHBondContact N-O 3.08Å
167G94.4Very high80.4Confident27 Ų2771.4 Ų71.428%0.27838%0.382SS..EExtended strand (participates in β ladder)trans-81.2140.8169.400000111.7C133 V144C133-G167 CarbonylContact O-C 3.55Å; C133-G167 WeakPolarHBondContact O-CA 3.48Å; V144-G167 VanDerWaalsContact CG2-CA 3.5Å
168A94.3Very high77.7Confident7 Ų769.9 Ų69.96%0.05839%0.387CS..  trans-146.8160.5176.600000112.7I132 C133 N134 K135 Q136 F174I132-A168 HydrophobicContact CG2-CB 3.68Å; C133-A168 PolarHBondContact O-N 2.82Å; N134-A168 CarbonylContact C-O 3.58Å; N134-A168 WeakPolarHBondContact CA-O 3.44Å; K135-A168 PolarHBondContact N-O 2.82Å; Q136-A168 WeakPolarHBondContact CB-O 3.49Å; Q136-A168 PolarHBondContact N-O 2.75Å; A168-F174 HydrophobicContact CB-CD1 3.61Å; A168-F174 HydrophobicContact CB-CE1 3.86Å
169S94.1Very high75.1Confident11 Ų1176.6 Ų76.68%0.07742%0.418CS..BIsolated β-bridgetrans-118.3109.4158.2175.60000107.5D137 L171 L172 G173D137-S169 WeakPolarHBondContact OD1-CB 3.35Å; D137-S169 PolarHBondContact OD1-OG 3.4Å; S169-L171 PolarHBondContact O-N 3.19Å; S169-L172 PolarHBondContact O-N 2.92Å; S169-L172 PolarHBondContact OG-N 3.12Å; S169-G173 CarbonylContact O-C 3.58Å; S169-G173 VanDerWaalsContact O-C 3.27Å; S169-G173 WeakPolarHBondContact O-CA 3.34Å; S169-G173 PolarHBondContact O-N 3.14Å
170A89.3Confident72.6Confident2 Ų277.5 Ų77.52%0.01742%0.423CS..THydrogen-bonded Turntrans-58-30.9176.900000111.8T32 L33 V36 N134T32-A170 HydrophobicContact CG2-CB 3.88Å; L33-A170 HydrophobicContact CD1-CB 4.11Å; V36-A170 WeakPolarHBondContact CG2-O 3.45Å; N134-A170 WeakPolarHBondContact OD1-CB 3.29Å; N134-A170 PolarHBondContact OD1-N 3.43Å
171L85.9Confident70.1Confident111 Ų11176.9 Ų76.958%0.58142%0.419SS*.THydrogen-bonded Turntrans-76.8-43.9-179.7-66.6177.6000113.2T32 L50 S169 G173T32-L171 HydrophobicContact CG2-CD2 3.72Å; T32-L171 HydrophobicContact CG2-CG 4.44Å; L50-L171 HydrophobicContact CB-CD2 4.41Å; L50-L171 HydrophobicContact CD1-CD2 4.05Å; S169-L171 PolarHBondContact O-N 3.19Å; L171-G173 VanDerWaalsContact C-N 3.3Å
172L80.7Confident67.3Low141 Ų14179.5 Ų79.574%0.73844%0.442SS*.THydrogen-bonded Turntrans-84.7-9.1179.2-56.8-176.1000112.8D137 S169D137-L172 HydrophobicContact CB-CD1 3.62Å; D137-L172 HydrophobicContact CB-CG 4.29Å; S169-L172 PolarHBondContact O-N 2.92Å; S169-L172 PolarHBondContact OG-N 3.12Å
173G68.4Low64.1Low26 Ų2681 Ų8127%0.26845%0.445SS..BIsolated β-bridgetrans94.1169.3-177.300000113.4S169 L171S169-G173 CarbonylContact O-C 3.58Å; S169-G173 VanDerWaalsContact O-C 3.27Å; S169-G173 WeakPolarHBondContact O-CA 3.34Å; S169-G173 PolarHBondContact O-N 3.14Å; L171-G173 VanDerWaalsContact C-N 3.3Å
174F64Low61Low32 Ų3286.2 Ų86.214%0.1447%0.469CS..  trans-86.5119.4-179.4-60.1-86.6000111.6L33 V36 I132 A168 F176L33-F174 HydrophobicContact CD1-CE1 3.41Å; L33-F174 VanDerWaalsContact CD1-CE1 3.41Å; L33-F174 HydrophobicContact CD1-CE2 4.17Å; L33-F174 HydrophobicContact CD1-CZ 3.08Å; L33-F174 HydrophobicContact CD2-CZ 4.35Å; L33-F174 HydrophobicContact CG-CE1 4.27Å; L33-F174 HydrophobicContact CG-CE2 4.44Å; L33-F174 HydrophobicContact CG-CZ 3.53Å; V36-F174 HydrophobicContact CG1-CD2 4.49Å; V36-F174 HydrophobicContact CG1-CE2 4.35Å; I132-F174 HydrophobicContact CD1-CE1 4.05Å; I132-F174 HydrophobicContact CG2-CE1 4.35Å; A168-F174 HydrophobicContact CB-CD1 3.61Å; A168-F174 HydrophobicContact CB-CE1 3.86Å; F174-F176 HydrophobicContact CB-CD2 3.98Å; F174-F176 HydrophobicContact CB-CE2 3.91Å; F174-F176 HydrophobicContact CD1-CE2 4.5Å; F174-F176 HydrophobicContact CG-CE2 4.17Å; F174-F176 PolarHBondContact O-N 3.24Å
175A48.9Very low57.8Low74 Ų7490.6 Ų90.661%0.61248%0.483SS*.  trans-85.293.7148.500000107.2K177A175-K177 PolarHBondContact O-N 3.03Å
176F44.4Very low54.4Low119 Ų11996.1 Ų96.152%0.52251%0.508SS..  trans-6876.9152.4-68.4-80.4000105.8F174 A178F174-F176 HydrophobicContact CB-CD2 3.98Å; F174-F176 HydrophobicContact CB-CE2 3.91Å; F174-F176 HydrophobicContact CD1-CE2 4.5Å; F174-F176 HydrophobicContact CG-CE2 4.17Å; F174-F176 PolarHBondContact O-N 3.24Å; F176-A178 PolarHBondContact O-N 2.87Å
177K31.5Very low51.2Low160 Ų16097.7 Ų97.770%0.69652%0.524SS*.  trans-67.283.3147.7-81.4-174.5175.9-177.30103.8A175 Q179A175-K177 PolarHBondContact O-N 3.03Å; K177-Q179 VanDerWaalsContact C-N 3.31Å; K177-Q179 PolarHBondContact O-N 3.21Å
178A33.2Very low47.9Very low62 Ų62103.7 Ų103.751%0.51254%0.544SS..  trans-43.4119.1136.900000103.4F176 Q180F176-A178 PolarHBondContact O-N 2.87Å; A178-Q180 PolarHBondContact O-N 3.23Å
179Q31.9Very low45.2Very low157 Ų157114 Ų11473%0.73459%0.588SS**  trans-61.275170.2-71.2-88.8-37.500106.1K177 N181K177-Q179 VanDerWaalsContact C-N 3.31Å; K177-Q179 PolarHBondContact O-N 3.21Å; Q179-N181 PolarHBondContact O-N 3.14Å
180Q29.1Very low42.7Very low173 Ų173119.1 Ų119.181%0.80861%0.613SS**  trans-72.9110.9160.4-80.3-1682.200103.7A178A178-Q180 PolarHBondContact O-N 3.23Å
181N26.8Very low40.3Very low155 Ų155125.3 Ų125.383%0.82965%0.645SS**SBendtrans61.398.3-179.1-62.8-14.9000112.6Q179Q179-N181 PolarHBondContact O-N 3.14Å
182S29.3Very low37.7Very low85 Ų85126.1 Ų126.159%0.59465%0.648SS**SBend-175.3148.462.443.30000107.4
183E25Very low35.2Very low157 Ų157125.2 Ų125.273%0.73464%0.643SS**  trans80.674.4-179-50.5-175-172.600114.1Q185E183-Q185 HydrophobicContact CB-CG 4.44Å; E183-Q185 PolarHBondContact O-N 3.39Å
184I27.1Very low33.1Very low152 Ų152131.4 Ų131.478%0.77967%0.666SS**  trans-56.781140.7-61.3166.1000106.3Q186I184-Q186 HydrophobicContact CG2-CB 4.45Å; I184-Q186 HydrophobicContact CG2-CG 3.72Å; I184-Q186 PolarHBondContact O-N 3.46Å
185Q26.9Very low31.1Very low146 Ų146138 Ų13868%0.68270%0.701SS**  trans-76.589.2150.6-72.9-171.84.500104.9E183 V187E183-Q185 HydrophobicContact CB-CG 4.44Å; E183-Q185 PolarHBondContact O-N 3.39Å; Q185-V187 HydrophobicContact CB-CG2 4.41Å; Q185-V187 PolarHBondContact O-N 2.79Å
186Q24.2Very low29.8Very low152 Ų152142.6 Ų142.671%0.7171%0.708SS**  trans-54.686.3153.8-88170.6-15.500106.9I184 H188I184-Q186 HydrophobicContact CG2-CB 4.45Å; I184-Q186 HydrophobicContact CG2-CG 3.72Å; I184-Q186 PolarHBondContact O-N 3.46Å; Q186-H188 PolarHBondContact O-N 2.68Å
187V26Very low28.7Very low103 Ų103144.4 Ų144.462%0.62472%0.722SS**  trans-79.194156.1-173.50000103.9Q185 F189Q185-V187 HydrophobicContact CB-CG2 4.41Å; Q185-V187 PolarHBondContact O-N 2.79Å; V187-F189 PolarHBondContact O-N 2.74Å
188H24.6Very low28.4Very low153 Ų153143.1 Ų143.171%0.70872%0.724SS**  trans-53.3128157.1-77.5-94.4000107.6Q186Q186-H188 PolarHBondContact O-N 2.68Å
189F37.1Very low28Very low222 Ų222150.5 Ų150.597%0.97474%0.743SS**  trans-83.20149-66.3-81.4000108V187V187-F189 PolarHBondContact O-N 2.74Å

Retrieved 189 of 189 residues in 309.3 ms (Link to these results)

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