A0A087X6E3_POEFO Loading...

Trafficking protein particle complex subunit

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB , UniProt , Accession A0A087X6E3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 180 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
1M39.3Very low49.7Very low246 Ų246155.4 Ų155.4100%1.21280%0.801SS**  0920-72.1-165-83.500108.7R3M1-R3 PolarHBondContact O-N 2.81Å
2S47.5Very low52.1Low119 Ų119158.9 Ų158.983%0.83281%0.806SS**  trans-72.8115.2176.838.10000109.2Q4S2-Q4 PolarHBondContact O-N 3.01Å
3R45.8Very low54.1Low244 Ų244162.6 Ų162.692%0.92181%0.813SS**  trans-61.2105.3167.6-77178.3169.2174-3.9107.7M1 S5M1-R3 PolarHBondContact O-N 2.81Å; R3-S5 PolarHBondContact O-N 2.66Å; R3-S5 VanDerWaalsContact O-N 3.09Å
4Q44.5Very low55.9Low191 Ų191161.4 Ų161.489%0.89381%0.806SS**  trans-63.3109.7167.7-126.21670.600106.6S2 N6S2-Q4 PolarHBondContact O-N 3.01Å; Q4-N6 PolarHBondContact O-N 3.3Å; Q4-N6 VanDerWaalsContact O-N 3.13Å
5S41.3Very low57.8Low101 Ų101156.5 Ų156.571%0.70678%0.784SS**  trans-62.7111.9171.1-170.90000107R3 R7R3-S5 PolarHBondContact O-N 2.66Å; R3-S5 VanDerWaalsContact O-N 3.09Å; S5-R7 PolarHBondContact O-N 3.42Å
6N44.1Very low59.6Low155 Ų155151.1 Ų151.183%0.82977%0.765SS**  trans-61.188.8163.5-107.79000107.1Q4 T8Q4-N6 PolarHBondContact O-N 3.3Å; Q4-N6 VanDerWaalsContact O-N 3.13Å; N6-T8 VanDerWaalsContact C-N 3.28Å; N6-T8 PolarHBondContact O-N 3.3Å; N6-T8 VanDerWaalsContact O-N 3.08Å
7R46.2Very low61.3Low219 Ų219147.9 Ų147.983%0.82675%0.747SS**  trans-73.493.1162.9-85.2-176.6173.8175.2-1.6105.7S5 T9S5-R7 PolarHBondContact O-N 3.42Å; R7-T9 VanDerWaalsContact C-N 3.31Å; R7-T9 PolarHBondContact O-N 3.41Å
8T54.1Low63Low118 Ų118144.7 Ų144.772%0.72473%0.732SS**  trans-58.7102.4156.241.90000106.3N6 D10N6-T8 VanDerWaalsContact C-N 3.28Å; N6-T8 PolarHBondContact O-N 3.3Å; N6-T8 VanDerWaalsContact O-N 3.08Å; T8-D10 PolarHBondContact O-N 3.04Å
9T58.9Low64.5Low109 Ų109142.4 Ų142.467%0.66972%0.717SS**  trans-67.399.1171.140.50000107.4R7 S11R7-T9 VanDerWaalsContact C-N 3.31Å; R7-T9 PolarHBondContact O-N 3.41Å; T9-S11 PolarHBondContact O-N 3.45Å; T9-S11 VanDerWaalsContact O-N 3.11Å
10D60.1Low65.9Low153 Ų153135.6 Ų135.682%0.81868%0.682SS**  trans-56.4117.2171.8-93.3-46.7000109T8 K12T8-D10 PolarHBondContact O-N 3.04Å; D10-K12 PolarHBondContact O-N 3.25Å
11S65.1Low67.2Low54 Ų54134.7 Ų134.738%0.37868%0.679SS.*  trans-71.9118.1179.9-49.20000108.6T9 K13 R62T9-S11 PolarHBondContact O-N 3.45Å; T9-S11 VanDerWaalsContact O-N 3.11Å; S11-K13 PolarHBondContact O-N 3.4Å; S11-R62 VanDerWaalsContact CB-NH2 3.33Å; S11-R62 PolarHBondContact OG-NE 3.08Å; S11-R62 PolarHBondContact OG-NH2 3.46Å
12K77.9Confident69.9Low198 Ų198126.9 Ų126.986%0.86165%0.646SS**  trans-64.8110.6176.2-71-177.7178.61800108.4D10 M14D10-K12 PolarHBondContact O-N 3.25Å; K12-M14 PolarHBondContact O-N 2.86Å
13K79.1Confident72.3Confident207 Ų207121.6 Ų121.690%0.961%0.607SS**  trans-64.8127.7166.3-68.1-172.4178.1-176.30108S11S11-K13 PolarHBondContact O-N 3.4Å
14M79.6Confident74.7Confident145 Ų145110.7 Ų110.771%0.71457%0.57SS**  trans-106.6160.7174.7-70.1-17653.100109.7K12 S16 L18K12-M14 PolarHBondContact O-N 2.86Å; M14-S16 PolarHBondContact O-N 2.97Å; M14-L18 HydrophobicContact CE-CD2 3.63Å
15N84.2Confident77.2Confident89 Ų89104.5 Ų104.548%0.47655%0.552SS.*  trans-61.6126.2172.3-175-6.3000109E17 L18N15-E17 VanDerWaalsContact C-N 3.26Å; N15-E17 PolarHBondContact ND2-OE2 2.78Å; N15-E17 PolarHBondContact O-N 2.97Å; N15-E17 WeakPolarHBondContact OD1-CB 3.31Å; N15-E17 PolarHBondContact OD1-N 3.28Å; N15-L18 PolarHBondContact O-N 3.17Å
16S85.6Confident79.9Confident70 Ų70102.8 Ų102.849%0.4954%0.535SS..Hα-helixtrans-60.6-3617748.80000111.8M14 L18 F19 T20M14-S16 PolarHBondContact O-N 2.97Å; S16-L18 VanDerWaalsContact C-N 3.28Å; S16-L18 PolarHBondContact O-N 3.01Å; S16-F19 WeakPolarHBondContact O-CA 3.49Å; S16-F19 WeakPolarHBondContact O-CB 3.41Å; S16-F19 PolarHBondContact O-N 2.98Å; S16-T20 PolarHBondContact O-N 3.17Å; S16-T20 PolarHBondContact O-OG1 3.09Å; S16-T20 VanDerWaalsContact O-OG1 3.07Å
17E89.6Confident82.5Confident96 Ų9695.6 Ų95.645%0.44950%0.496SS..Hα-helixtrans-60.7-37.7179.2-62.2170.6159.600112.1N15 F19 T20 L21N15-E17 VanDerWaalsContact C-N 3.26Å; N15-E17 PolarHBondContact ND2-OE2 2.78Å; N15-E17 PolarHBondContact O-N 2.97Å; N15-E17 WeakPolarHBondContact OD1-CB 3.31Å; N15-E17 PolarHBondContact OD1-N 3.28Å; E17-F19 VanDerWaalsContact C-N 3.28Å; E17-F19 PolarHBondContact O-N 3.18Å; E17-T20 PolarHBondContact O-N 3.32Å; E17-L21 WeakPolarHBondContact O-CB 3.23Å; E17-L21 VanDerWaalsContact O-CG 3.23Å; E17-L21 WeakPolarHBondContact O-CG 3.41Å; E17-L21 PolarHBondContact O-N 3.15Å
18L90.8Very high84.8Confident91 Ų9188.6 Ų88.648%0.47648%0.478SS..Hα-helixtrans-62.7-40.2176.2177.561.7000110.7M14 N15 S16 T22M14-L18 HydrophobicContact CE-CD2 3.63Å; N15-L18 PolarHBondContact O-N 3.17Å; S16-L18 VanDerWaalsContact C-N 3.28Å; S16-L18 PolarHBondContact O-N 3.01Å; L18-T22 VanDerWaalsContact O-CB 3.31Å; L18-T22 WeakPolarHBondContact O-CB 3.49Å; L18-T22 PolarHBondContact O-N 3.11Å; L18-T22 PolarHBondContact O-OG1 3.25Å
19F91.4Very high86.9Confident101 Ų10187.4 Ų87.444%0.44346%0.464SS..Hα-helixtrans-68.6-45.9176.2178.9-119.8000111.6S16 E17 L21 T22 Y23 L87 L112S16-F19 WeakPolarHBondContact O-CA 3.49Å; S16-F19 WeakPolarHBondContact O-CB 3.41Å; S16-F19 PolarHBondContact O-N 2.98Å; E17-F19 VanDerWaalsContact C-N 3.28Å; E17-F19 PolarHBondContact O-N 3.18Å; F19-L21 PolarHBondContact O-N 3.46Å; F19-T22 PolarHBondContact O-N 3.23Å; F19-Y23 WeakPolarHBondContact O-CB 3.36Å; F19-Y23 PolarHBondContact O-N 3.12Å; F19-L87 HydrophobicContact CE1-CD2 3.79Å; F19-L112 HydrophobicContact CD1-CD2 3.87Å; F19-L112 HydrophobicContact CE1-CD2 3.28Å; F19-L112 HydrophobicContact CZ-CD2 3.89Å
20T92.9Very high88.7Confident5 Ų582.9 Ų82.93%0.03144%0.436CS..Hα-helixtrans-56.2-49.5175.7-55.90000111.7S16 E17 T22 Y23 G24 P111 D114S16-T20 PolarHBondContact O-N 3.17Å; S16-T20 PolarHBondContact O-OG1 3.09Å; S16-T20 VanDerWaalsContact O-OG1 3.07Å; E17-T20 PolarHBondContact O-N 3.32Å; T20-T22 PolarHBondContact O-N 2.85Å; T20-Y23 PolarHBondContact O-N 3.06Å; T20-G24 PolarHBondContact O-N 2.94Å; T20-P111 WeakPolarHBondContact CG2-O 3.37Å; T20-P111 PolarHBondContact OG1-O 3.26Å; T20-D114 HydrophobicContact CG2-CB 4.08Å; T20-D114 WeakPolarHBondContact CG2-O 3.47Å
21L94.5Very high90.4Very high118 Ų11876.6 Ų76.662%0.61840%0.404SS*.Hα-helixtrans-66.6-37.1179.3-67.7173.3000112.3E17 F19 Y23 G24 A25E17-L21 WeakPolarHBondContact O-CB 3.23Å; E17-L21 VanDerWaalsContact O-CG 3.23Å; E17-L21 WeakPolarHBondContact O-CG 3.41Å; E17-L21 PolarHBondContact O-N 3.15Å; F19-L21 PolarHBondContact O-N 3.46Å; L21-Y23 VanDerWaalsContact C-N 3.35Å; L21-G24 PolarHBondContact O-N 2.99Å; L21-A25 WeakPolarHBondContact O-CB 3.4Å; L21-A25 PolarHBondContact O-N 2.91Å
22T95.8Very high91.8Very high82 Ų8280.5 Ų80.550%0.50341%0.414SS..Hα-helixtrans-64.6-42.2174.9-57.80000110.8L18 F19 T20 A25 L26L18-T22 VanDerWaalsContact O-CB 3.31Å; L18-T22 WeakPolarHBondContact O-CB 3.49Å; L18-T22 PolarHBondContact O-N 3.11Å; L18-T22 PolarHBondContact O-OG1 3.25Å; F19-T22 PolarHBondContact O-N 3.23Å; T20-T22 PolarHBondContact O-N 2.85Å; T22-A25 PolarHBondContact O-N 3.32Å; T22-L26 PolarHBondContact O-N 2.97Å
23Y97.3Very high92.7Very high8 Ų876 Ų763%0.03140%0.399CS..Hα-helixtrans-64.2-43.8175.3-174.7-109.1000111.6F19 T20 L21 A25 L26 V27 L44 L112 Y127 L130F19-Y23 WeakPolarHBondContact O-CB 3.36Å; F19-Y23 PolarHBondContact O-N 3.12Å; T20-Y23 PolarHBondContact O-N 3.06Å; L21-Y23 VanDerWaalsContact C-N 3.35Å; Y23-A25 VanDerWaalsContact C-N 3.33Å; Y23-A25 PolarHBondContact O-N 3.19Å; Y23-L26 HydrophobicContact CD2-CD2 4.43Å; Y23-L26 WeakPolarHBondContact O-CB 3.43Å; Y23-L26 PolarHBondContact O-N 3.44Å; Y23-L26 VanDerWaalsContact O-N 3.12Å; Y23-V27 HydrophobicContact CD1-CG2 4.13Å; Y23-V27 HydrophobicContact CE1-CG2 3.68Å; Y23-V27 HydrophobicContact CE2-CG2 4.18Å; Y23-V27 WeakPolarHBondContact O-CG2 3.45Å; Y23-V27 PolarHBondContact O-N 3.4Å; Y23-L44 HydrophobicContact CE2-CD2 4.24Å; Y23-L112 HydrophobicContact CD1-CB 4.01Å; Y23-L112 HydrophobicContact CD1-CD1 4.4Å; Y23-L112 HydrophobicContact CD1-CD2 4.07Å; Y23-L112 HydrophobicContact CD1-CG 4.4Å; Y23-L112 HydrophobicContact CE1-CB 4.17Å; Y23-L112 HydrophobicContact CE1-CD1 4.18Å; Y23-L112 HydrophobicContact CG-CD2 4.05Å; Y23-Y127 HydrophobicContact CD1-CD1 4.45Å; Y23-Y127 AromaticContact CD1-CE1 3.59Å; Y23-Y127 HydrophobicContact CD1-CE1 3.59Å; Y23-Y127 AromaticContact CD1-CZ 3.94Å; Y23-Y127 AromaticContact CE1-CD1 3.82Å; Y23-Y127 HydrophobicContact CE1-CD1 3.82Å; Y23-Y127 AromaticContact CE1-CE1 3.39Å; Y23-Y127 HydrophobicContact CE1-CE1 3.39Å; Y23-Y127 AromaticContact CE1-CZ 3.95Å; Y23-Y127 VanDerWaalsContact CE1-O 3.3Å; Y23-Y127 WeakPolarHBondContact CE1-O 3.25Å; Y23-Y127 VanDerWaalsContact CZ-O 3.3Å; Y23-Y127 PolarHBondContact OH-O 3.4Å; Y23-L130 HydrophobicContact CE2-CB 3.8Å; Y23-L130 HydrophobicContact CE2-CD1 4.11Å; Y23-L130 HydrophobicContact CE2-CD2 4.11Å; Y23-L130 HydrophobicContact CE2-CG 4.21Å; Y23-L130 WeakPolarHBondContact OH-CB 3.29Å
24G96.9Very high93.4Very high14 Ų1470.5 Ų70.514%0.14437%0.373CS..Hα-helixtrans-61.1-39.1175.200000113.5T20 L21 V27 T28 Y127T20-G24 PolarHBondContact O-N 2.94Å; L21-G24 PolarHBondContact O-N 2.99Å; G24-V27 PolarHBondContact O-N 2.9Å; G24-T28 VanDerWaalsContact O-CB 3.29Å; G24-T28 WeakPolarHBondContact O-CB 3.47Å; G24-T28 PolarHBondContact O-N 3.46Å; G24-T28 PolarHBondContact O-OG1 3.4Å; G24-Y127 WeakPolarHBondContact CA-OH 3.38Å
25A96.9Very high94Very high62 Ų6271.9 Ų71.951%0.51238%0.378SS..Hα-helixtrans-63.4-41173.100000112L21 T22 Y23 Q29L21-A25 WeakPolarHBondContact O-CB 3.4Å; L21-A25 PolarHBondContact O-N 2.91Å; T22-A25 PolarHBondContact O-N 3.32Å; Y23-A25 VanDerWaalsContact C-N 3.33Å; Y23-A25 PolarHBondContact O-N 3.19Å; A25-Q29 WeakPolarHBondContact O-CB 3.16Å; A25-Q29 PolarHBondContact O-N 3.36Å
26L97.8Very high94.5Very high64 Ų6471 Ų7134%0.33537%0.373SS..Hα-helixtrans-60.8-51.7174.7174.666.8000111.4T22 Y23 T28 Q29 L30 M47T22-L26 PolarHBondContact O-N 2.97Å; Y23-L26 HydrophobicContact CD2-CD2 4.43Å; Y23-L26 WeakPolarHBondContact O-CB 3.43Å; Y23-L26 PolarHBondContact O-N 3.44Å; Y23-L26 VanDerWaalsContact O-N 3.12Å; L26-T28 VanDerWaalsContact C-N 3.33Å; L26-T28 PolarHBondContact O-N 3.05Å; L26-Q29 PolarHBondContact O-N 2.86Å; L26-L30 HydrophobicContact CD1-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.07Å; L26-M47 HydrophobicContact CD1-SD 4.25Å; L26-M47 HydrophobicContact CD2-SD 4.33Å
27V97.3Very high95Very high4 Ų468.2 Ų68.22%0.02435%0.353CS..Hα-helixtrans-60.9-44.6179.51780000110.6Y23 G24 Q29 L30 C31 L44 L125 Y127Y23-V27 HydrophobicContact CD1-CG2 4.13Å; Y23-V27 HydrophobicContact CE1-CG2 3.68Å; Y23-V27 HydrophobicContact CE2-CG2 4.18Å; Y23-V27 WeakPolarHBondContact O-CG2 3.45Å; Y23-V27 PolarHBondContact O-N 3.4Å; G24-V27 PolarHBondContact O-N 2.9Å; V27-Q29 VanDerWaalsContact C-N 3.28Å; V27-Q29 PolarHBondContact O-N 2.85Å; V27-L30 PolarHBondContact O-N 2.74Å; V27-L30 VanDerWaalsContact O-N 3.17Å; V27-C31 PolarHBondContact O-N 3.35Å; V27-C31 PolarHBondContact O-SG 2.94Å; V27-C31 VanDerWaalsContact O-SG 3.35Å; V27-L44 HydrophobicContact CG2-CD1 4.38Å; V27-L44 HydrophobicContact CG2-CD2 4.11Å; V27-L125 HydrophobicContact CG1-CD2 4.11Å; V27-Y127 HydrophobicContact CB-CD2 4.41Å; V27-Y127 HydrophobicContact CB-CE2 3.91Å; V27-Y127 HydrophobicContact CG1-CD2 3.81Å; V27-Y127 HydrophobicContact CG1-CE2 3.74Å; V27-Y127 HydrophobicContact CG2-CD2 4.36Å; V27-Y127 HydrophobicContact CG2-CE2 3.98Å
28T95.9Very high95.3Very high73 Ų7369.2 Ų69.245%0.44836%0.358SS..Hα-helixtrans-57.7-41.7176.6-60.20000111.7G24 L26 K32G24-T28 VanDerWaalsContact O-CB 3.29Å; G24-T28 WeakPolarHBondContact O-CB 3.47Å; G24-T28 PolarHBondContact O-N 3.46Å; G24-T28 PolarHBondContact O-OG1 3.4Å; L26-T28 VanDerWaalsContact C-N 3.33Å; L26-T28 PolarHBondContact O-N 3.05Å; T28-K32 WeakPolarHBondContact O-CG 3.34Å; T28-K32 PolarHBondContact O-N 3.11Å
29Q97.3Very high95.7Very high92 Ų9267.8 Ų67.843%0.4335%0.349SS..Hα-helixtrans-66.4-43.5178.1-172.958.745.300111.3A25 L26 V27 C31 K32 D33A25-Q29 WeakPolarHBondContact O-CB 3.16Å; A25-Q29 PolarHBondContact O-N 3.36Å; L26-Q29 PolarHBondContact O-N 2.86Å; V27-Q29 VanDerWaalsContact C-N 3.28Å; V27-Q29 PolarHBondContact O-N 2.85Å; Q29-C31 PolarHBondContact O-N 2.74Å; Q29-K32 WeakPolarHBondContact O-CB 3.34Å; Q29-K32 PolarHBondContact O-N 3.41Å; Q29-D33 PolarHBondContact NE2-OD1 3.32Å; Q29-D33 PolarHBondContact NE2-OD2 3.13Å; Q29-D33 VanDerWaalsContact O-CG 3.26Å; Q29-D33 PolarHBondContact O-N 3.46Å
30L97.2Very high96Very high15 Ų1563 Ų638%0.07933%0.328CS..Hα-helixtrans-62.3-42.1176.9-65.3170.5000112.4L26 V27 K32 D33 Y34 V40 Q43 L44 M47L26-L30 HydrophobicContact CD1-CD1 4.48Å; L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 3.07Å; V27-L30 PolarHBondContact O-N 2.74Å; V27-L30 VanDerWaalsContact O-N 3.17Å; L30-K32 PolarHBondContact O-N 3.02Å; L30-D33 PolarHBondContact O-N 3.08Å; L30-Y34 HydrophobicContact CB-CD2 4.49Å; L30-Y34 HydrophobicContact CD2-CD2 4.26Å; L30-Y34 HydrophobicContact CD2-CE2 3.86Å; L30-Y34 WeakPolarHBondContact O-CD2 3.45Å; L30-Y34 PolarHBondContact O-N 2.97Å; L30-V40 HydrophobicContact CB-CG1 3.9Å; L30-V40 HydrophobicContact CB-CG2 4.16Å; L30-V40 HydrophobicContact CD1-CG1 4.32Å; L30-Q43 HydrophobicContact CD2-CB 4.41Å; L30-L44 HydrophobicContact CD1-CD2 3.58Å; L30-L44 HydrophobicContact CD1-CG 3.92Å; L30-M47 HydrophobicContact CD1-CE 3.46Å; L30-M47 VanDerWaalsContact CD1-CE 3.46Å; L30-M47 HydrophobicContact CD2-CE 3.8Å; L30-M47 HydrophobicContact CG-CE 4.2Å
31C95.6Very high96.2Very high20 Ų2063.7 Ų63.714%0.13533%0.331CS..Hα-helixtrans-59-37176.3-690000111.9V27 Q29 E35V27-C31 PolarHBondContact O-N 3.35Å; V27-C31 PolarHBondContact O-SG 2.94Å; V27-C31 VanDerWaalsContact O-SG 3.35Å; Q29-C31 PolarHBondContact O-N 2.74Å; C31-E35 PolarHBondContact O-N 3.39Å; C31-E35 VanDerWaalsContact O-N 3.15Å
32K95.3Very high96.4Very high137 Ų13763.3 Ų63.360%0.59632%0.324SS*.Hα-helixtrans-71.7-37.9175.4-68.7174.8-175.91760113.1T28 Q29 L30T28-K32 WeakPolarHBondContact O-CG 3.34Å; T28-K32 PolarHBondContact O-N 3.11Å; Q29-K32 WeakPolarHBondContact O-CB 3.34Å; Q29-K32 PolarHBondContact O-N 3.41Å; L30-K32 PolarHBondContact O-N 3.02Å
33D96.4Very high96.5Very high102 Ų10261.4 Ų61.455%0.54531%0.31SS..Hα-helixtrans-77.5-32.9-174.6-67.3-18.8000112.8Q29 L30Q29-D33 PolarHBondContact NE2-OD1 3.32Å; Q29-D33 PolarHBondContact NE2-OD2 3.13Å; Q29-D33 VanDerWaalsContact O-CG 3.26Å; Q29-D33 PolarHBondContact O-N 3.46Å; L30-D33 PolarHBondContact O-N 3.08Å
34Y93.9Very high96.6Very high92 Ų9261 Ų6136%0.36131%0.308SS..Hα-helixtrans-104.2-24.8-174.5-72.5-85.9000114.5L30 N36 E39 Q43L30-Y34 HydrophobicContact CB-CD2 4.49Å; L30-Y34 HydrophobicContact CD2-CD2 4.26Å; L30-Y34 HydrophobicContact CD2-CE2 3.86Å; L30-Y34 WeakPolarHBondContact O-CD2 3.45Å; L30-Y34 PolarHBondContact O-N 2.97Å; Y34-N36 PolarHBondContact O-N 2.87Å; Y34-E39 HydrophobicContact CD1-CB 3.65Å; Y34-E39 HydrophobicContact CD1-CG 4.43Å; Y34-E39 HydrophobicContact CE1-CB 4.42Å; Y34-E39 HydrophobicContact CG-CB 4.1Å; Y34-Q43 HydrophobicContact CD2-CG 4.47Å; Y34-Q43 HydrophobicContact CE1-CG 4.01Å; Y34-Q43 HydrophobicContact CE2-CG 3.74Å; Y34-Q43 VanDerWaalsContact CZ-CG 3.48Å; Y34-Q43 VanDerWaalsContact OH-CD 3.32Å; Y34-Q43 WeakPolarHBondContact OH-CG 3.11Å; Y34-Q43 PolarHBondContact OH-NE2 2.99Å
35E91.4Very high96.7Very high175 Ų17562 Ų6282%0.81831%0.31SS*.  trans51.915.4-176.5-56.7-175.7170.100114.7C31C31-E35 PolarHBondContact O-N 3.39Å; C31-E35 VanDerWaalsContact O-N 3.15Å
36N94.5Very high96.8Very high70 Ų7064.7 Ų64.737%0.37431%0.311SS..  trans-144.9118.6-177.7178.7-3.8000110.6Y34 E38 E39 V40Y34-N36 PolarHBondContact O-N 2.87Å; N36-E38 VanDerWaalsContact C-N 3.28Å; N36-E38 PolarHBondContact O-N 2.92Å; N36-E38 PolarHBondContact OD1-N 2.91Å; N36-E39 HydrophobicContact CB-CB 4.47Å; N36-E39 HydrophobicContact CB-CG 4.47Å; N36-E39 PolarHBondContact O-N 2.83Å; N36-V40 WeakPolarHBondContact O-CG2 3.42Å; N36-V40 PolarHBondContact O-N 3.37Å; N36-V40 VanDerWaalsContact O-N 3.08Å
37D96.4Very high96.8Very high11 Ų1164.2 Ų64.26%0.05931%0.307CS..Hα-helixtrans-53.9-39.6179-73.4-2.8000113.7E39 V40 N41 H122 T124 L125D37-E39 VanDerWaalsContact C-N 3.32Å; D37-E39 PolarHBondContact O-N 2.55Å; D37-V40 PolarHBondContact O-N 2.89Å; D37-N41 WeakPolarHBondContact O-CB 3.41Å; D37-N41 PolarHBondContact O-N 3.07Å; D37-N41 PolarHBondContact O-ND2 3.23Å; D37-H122 IonicContact OD1-CE1 2.92Å; D37-H122 IonicContact OD1-CG 2.76Å; D37-H122 IonicContact OD1-ND1 3.55Å; D37-H122 PolarHBondContact OD1-ND1 2.71Å; D37-H122 VanDerWaalsContact OD2-C 3.27Å; D37-H122 VanDerWaalsContact OD2-CA 3.29Å; D37-H122 WeakPolarHBondContact OD2-CA 3.43Å; D37-T124 WeakPolarHBondContact CB-OG1 3.35Å; D37-T124 PolarHBondContact OD2-N 2.89Å; D37-T124 VanDerWaalsContact OD2-N 3.14Å; D37-T124 PolarHBondContact OD2-OG1 3.2Å; D37-L125 HydrophobicContact CB-CB 4.39Å; D37-L125 PolarHBondContact OD2-N 3.24Å
38E96.7Very high96.9Very high117 Ų11764 Ų6455%0.54731%0.306SS..Hα-helixtrans-65.4-38.9-177.8-67.2-174.817600111.6N36 K42N36-E38 VanDerWaalsContact C-N 3.28Å; N36-E38 PolarHBondContact O-N 2.92Å; N36-E38 PolarHBondContact OD1-N 2.91Å; E38-K42 WeakPolarHBondContact O-CG 3.33Å; E38-K42 PolarHBondContact O-N 2.92Å; E38-K42 VanDerWaalsContact O-N 3.1Å
39E97.6Very high97Very high62 Ų6263.2 Ų63.229%0.2930%0.295SS..Hα-helixtrans-71-41.5175.9-69.7-56.9128.800110.8Y34 N36 D37 N41 K42 Q43Y34-E39 HydrophobicContact CD1-CB 3.65Å; Y34-E39 HydrophobicContact CD1-CG 4.43Å; Y34-E39 HydrophobicContact CE1-CB 4.42Å; Y34-E39 HydrophobicContact CG-CB 4.1Å; N36-E39 HydrophobicContact CB-CB 4.47Å; N36-E39 HydrophobicContact CB-CG 4.47Å; N36-E39 PolarHBondContact O-N 2.83Å; D37-E39 VanDerWaalsContact C-N 3.32Å; D37-E39 PolarHBondContact O-N 2.55Å; E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 3.34Å; E39-K42 PolarHBondContact O-N 3.28Å; E39-K42 IonicContact OE1-NZ 2.77Å; E39-K42 PolarHBondContact OE1-NZ 2.86Å; E39-Q43 WeakPolarHBondContact O-CG 3.41Å; E39-Q43 PolarHBondContact O-N 3.03Å
40V98.1Very high97.1Very high1 Ų163 Ų631%0.00630%0.297CS..Hα-helixtrans-57.4-46.1173177.90000110.8L30 N36 D37 K42 Q43 L44 L125L30-V40 HydrophobicContact CB-CG1 3.9Å; L30-V40 HydrophobicContact CB-CG2 4.16Å; L30-V40 HydrophobicContact CD1-CG1 4.32Å; N36-V40 WeakPolarHBondContact O-CG2 3.42Å; N36-V40 PolarHBondContact O-N 3.37Å; N36-V40 VanDerWaalsContact O-N 3.08Å; D37-V40 PolarHBondContact O-N 2.89Å; V40-K42 PolarHBondContact O-N 3.2Å; V40-Q43 PolarHBondContact O-N 2.97Å; V40-Q43 VanDerWaalsContact O-N 3.15Å; V40-L44 HydrophobicContact CG1-CD1 3.98Å; V40-L44 HydrophobicContact CG1-CG 4.26Å; V40-L44 WeakPolarHBondContact O-CG 3.4Å; V40-L44 PolarHBondContact O-N 3.14Å; V40-L125 HydrophobicContact CB-CD1 3.97Å; V40-L125 HydrophobicContact CG1-CD1 3.5Å; V40-L125 VanDerWaalsContact CG1-CD1 3.5Å
41N98.3Very high97.1Very high18 Ų1866 Ų6610%0.09631%0.312CS..Hα-helixtrans-58.1-45.2177.9-72.9-23.2000111.9D37 E39 D45 T124 I126 N129D37-N41 WeakPolarHBondContact O-CB 3.41Å; D37-N41 PolarHBondContact O-N 3.07Å; D37-N41 PolarHBondContact O-ND2 3.23Å; E39-N41 VanDerWaalsContact C-N 3.31Å; E39-N41 PolarHBondContact O-N 3.34Å; N41-D45 WeakPolarHBondContact O-CB 3.44Å; N41-D45 PolarHBondContact O-N 3.33Å; N41-D45 VanDerWaalsContact O-N 3.07Å; N41-T124 PolarHBondContact ND2-O 3.05Å; N41-I126 PolarHBondContact OD1-N 3.24Å; N41-N129 PolarHBondContact O-ND2 3.03Å
42K98.3Very high97.3Very high110 Ų11065.1 Ų65.148%0.47831%0.306SS..Hα-helixtrans-63-41.1175.9-70.6169.9-165.8166.50111.8E38 E39 V40 K46E38-K42 WeakPolarHBondContact O-CG 3.33Å; E38-K42 PolarHBondContact O-N 2.92Å; E38-K42 VanDerWaalsContact O-N 3.1Å; E39-K42 PolarHBondContact O-N 3.28Å; E39-K42 IonicContact OE1-NZ 2.77Å; E39-K42 PolarHBondContact OE1-NZ 2.86Å; V40-K42 PolarHBondContact O-N 3.2Å; K42-K46 VanDerWaalsContact O-CB 3.3Å; K42-K46 WeakPolarHBondContact O-CB 3.49Å; K42-K46 PolarHBondContact O-N 3.19Å
43Q98.4Very high97.4Very high42 Ų4260.2 Ų60.220%0.19629%0.288CS..Hα-helixtrans-69-41.7179.6-66.8-54.6-32.300112.4L30 Y34 E39 V40 K46 M47L30-Q43 HydrophobicContact CD2-CB 4.41Å; Y34-Q43 HydrophobicContact CD2-CG 4.47Å; Y34-Q43 HydrophobicContact CE1-CG 4.01Å; Y34-Q43 HydrophobicContact CE2-CG 3.74Å; Y34-Q43 VanDerWaalsContact CZ-CG 3.48Å; Y34-Q43 VanDerWaalsContact OH-CD 3.32Å; Y34-Q43 WeakPolarHBondContact OH-CG 3.11Å; Y34-Q43 PolarHBondContact OH-NE2 2.99Å; E39-Q43 WeakPolarHBondContact O-CG 3.41Å; E39-Q43 PolarHBondContact O-N 3.03Å; V40-Q43 PolarHBondContact O-N 2.97Å; V40-Q43 VanDerWaalsContact O-N 3.15Å; Q43-K46 PolarHBondContact O-N 3.41Å; Q43-M47 HydrophobicContact CB-CE 3.92Å; Q43-M47 WeakPolarHBondContact O-CB 3.5Å; Q43-M47 WeakPolarHBondContact O-CE 3.48Å; Q43-M47 WeakPolarHBondContact O-CG 3.38Å; Q43-M47 PolarHBondContact O-N 3.42Å
44L98.6Very high97.4Very high0 Ų065 Ų650%030%0.298CS..Hα-helixtrans-60-47.3175.1-74.1174.7000111.2Y23 V27 L30 V40 M47 G48 N129 L130Y23-L44 HydrophobicContact CE2-CD2 4.24Å; V27-L44 HydrophobicContact CG2-CD1 4.38Å; V27-L44 HydrophobicContact CG2-CD2 4.11Å; L30-L44 HydrophobicContact CD1-CD2 3.58Å; L30-L44 HydrophobicContact CD1-CG 3.92Å; V40-L44 HydrophobicContact CG1-CD1 3.98Å; V40-L44 HydrophobicContact CG1-CG 4.26Å; V40-L44 WeakPolarHBondContact O-CG 3.4Å; V40-L44 PolarHBondContact O-N 3.14Å; L44-M47 PolarHBondContact O-N 2.72Å; L44-G48 PolarHBondContact O-N 3.02Å; L44-N129 HydrophobicContact CB-CB 4.09Å; L44-N129 HydrophobicContact CD1-CB 4.47Å; L44-L130 WeakPolarHBondContact O-CA 3.47Å
45D98.6Very high97.6Very high35 Ų3562.8 Ų62.819%0.18729%0.292CS..Hα-helixtrans-61.6-44.6176.3170.972.4000111.9N41 M47 G48 Y49 G133 R136N41-D45 WeakPolarHBondContact O-CB 3.44Å; N41-D45 PolarHBondContact O-N 3.33Å; N41-D45 VanDerWaalsContact O-N 3.07Å; D45-M47 PolarHBondContact O-N 3.4Å; D45-G48 PolarHBondContact O-N 3.49Å; D45-Y49 WeakPolarHBondContact O-CB 3.38Å; D45-Y49 PolarHBondContact O-N 3.48Å; D45-G133 VanDerWaalsContact O-CA 3.25Å; D45-G133 WeakPolarHBondContact O-CA 3.4Å; D45-G133 VanDerWaalsContact OD1-CA 3.3Å; D45-G133 WeakPolarHBondContact OD1-CA 3.44Å; D45-G133 PolarHBondContact OD1-N 3.14Å; D45-R136 IonicContact OD1-CZ 2.72Å; D45-R136 IonicContact OD1-NE 3.25Å; D45-R136 IonicContact OD1-NH2 3.66Å; D45-R136 PolarHBondContact OD1-NH2 3.08Å; D45-R136 IonicContact OD2-CZ 3.62Å; D45-R136 IonicContact OD2-NH2 2.68Å; D45-R136 PolarHBondContact OD2-NH2 2.84Å
46K98.6Very high97.8Very high119 Ų11955.2 Ų55.252%0.51726%0.257SS..Hα-helixtrans-61.6-43.9176.4-176.5179.5179.9-177.90112.5K42 Q43 Y49 N50K42-K46 VanDerWaalsContact O-CB 3.3Å; K42-K46 WeakPolarHBondContact O-CB 3.49Å; K42-K46 PolarHBondContact O-N 3.19Å; Q43-K46 PolarHBondContact O-N 3.41Å; K46-Y49 PolarHBondContact O-N 3.31Å; K46-N50 PolarHBondContact O-N 3.45Å; K46-N50 PolarHBondContact O-ND2 2.8Å; K46-N50 VanDerWaalsContact O-ND2 3.14Å
47M98.5Very high97.7Very high53 Ų5358.6 Ų58.626%0.26127%0.271SS..Hα-helixtrans-62.4-45.2174.9-78.8-175.5-95.800111.1L26 L30 Q43 L44 D45 Y49 N50 I51 L130L26-M47 HydrophobicContact CD1-SD 4.25Å; L26-M47 HydrophobicContact CD2-SD 4.33Å; L30-M47 HydrophobicContact CD1-CE 3.46Å; L30-M47 VanDerWaalsContact CD1-CE 3.46Å; L30-M47 HydrophobicContact CD2-CE 3.8Å; L30-M47 HydrophobicContact CG-CE 4.2Å; Q43-M47 HydrophobicContact CB-CE 3.92Å; Q43-M47 WeakPolarHBondContact O-CB 3.5Å; Q43-M47 WeakPolarHBondContact O-CE 3.48Å; Q43-M47 WeakPolarHBondContact O-CG 3.38Å; Q43-M47 PolarHBondContact O-N 3.42Å; L44-M47 PolarHBondContact O-N 2.72Å; D45-M47 PolarHBondContact O-N 3.4Å; M47-Y49 VanDerWaalsContact C-N 3.34Å; M47-Y49 PolarHBondContact O-N 3.28Å; M47-N50 PolarHBondContact O-N 3.14Å; M47-I51 WeakPolarHBondContact O-CG1 3.26Å; M47-I51 PolarHBondContact O-N 3.38Å; M47-L130 HydrophobicContact CB-CD1 4.11Å
48G98.7Very high97.6Very high0 Ų061.1 Ų61.10%028%0.284CS..Hα-helixtrans-56.5-4717500000112.2L44 D45 N50 I51 G52 L130 G133 V134L44-G48 PolarHBondContact O-N 3.02Å; D45-G48 PolarHBondContact O-N 3.49Å; G48-N50 PolarHBondContact O-N 3.24Å; G48-I51 CarbonylContact O-C 3.44Å; G48-I51 WeakPolarHBondContact O-CB 3.42Å; G48-I51 PolarHBondContact O-N 2.79Å; G48-I51 VanDerWaalsContact O-N 3.11Å; G48-G52 PolarHBondContact O-N 3.11Å; G48-L130 WeakPolarHBondContact CA-O 3.25Å; G48-G133 CarbonylContact O-C 3.46Å; G48-V134 WeakPolarHBondContact O-CA 3.3Å; G48-V134 WeakPolarHBondContact O-CG2 3.29Å; G48-V134 PolarHBondContact O-N 2.93Å
49Y98.8Very high97.5Very high57 Ų5756.3 Ų56.322%0.22426%0.261CS..Hα-helixtrans-57.1-48.6178.4173-86.9000111.9D45 K46 M47 I51 G52 V53 G133 E140D45-Y49 WeakPolarHBondContact O-CB 3.38Å; D45-Y49 PolarHBondContact O-N 3.48Å; K46-Y49 PolarHBondContact O-N 3.31Å; M47-Y49 VanDerWaalsContact C-N 3.34Å; M47-Y49 PolarHBondContact O-N 3.28Å; Y49-I51 VanDerWaalsContact C-N 3.27Å; Y49-I51 PolarHBondContact O-N 2.98Å; Y49-G52 PolarHBondContact O-N 3.1Å; Y49-G52 VanDerWaalsContact O-N 3.14Å; Y49-V53 HydrophobicContact CD1-CG2 4.3Å; Y49-V53 HydrophobicContact CE1-CG2 3.86Å; Y49-V53 HydrophobicContact CE2-CG2 4.35Å; Y49-V53 WeakPolarHBondContact O-CG2 3.5Å; Y49-V53 PolarHBondContact O-N 3.2Å; Y49-G133 WeakPolarHBondContact CA-O 3.11Å; Y49-G133 PolarHBondContact N-O 3.07Å; Y49-E140 PolarHBondContact OH-OE1 3.3Å
50N98.5Very high97.4Very high86 Ų8656.8 Ų56.846%0.4627%0.266SS..Hα-helixtrans-63.2-33.8177.7-67.4-38.3000112.6K46 M47 G48 R54K46-N50 PolarHBondContact O-N 3.45Å; K46-N50 PolarHBondContact O-ND2 2.8Å; K46-N50 VanDerWaalsContact O-ND2 3.14Å; M47-N50 PolarHBondContact O-N 3.14Å; G48-N50 PolarHBondContact O-N 3.24Å; N50-R54 WeakPolarHBondContact O-CG 3.39Å
51I98.4Very high97.1Very high80 Ų8060.6 Ų60.641%0.4130%0.297SS..Hα-helixtrans-67.3-48.8172.7-69.1162.9000109.9M47 G48 Y49 V53 R54 L55 L130 V134M47-I51 WeakPolarHBondContact O-CG1 3.26Å; M47-I51 PolarHBondContact O-N 3.38Å; G48-I51 CarbonylContact O-C 3.44Å; G48-I51 WeakPolarHBondContact O-CB 3.42Å; G48-I51 PolarHBondContact O-N 2.79Å; G48-I51 VanDerWaalsContact O-N 3.11Å; Y49-I51 VanDerWaalsContact C-N 3.27Å; Y49-I51 PolarHBondContact O-N 2.98Å; I51-V53 VanDerWaalsContact C-N 3.34Å; I51-V53 PolarHBondContact O-N 3.02Å; I51-R54 PolarHBondContact O-N 3.44Å; I51-L55 VanDerWaalsContact O-CB 3.28Å; I51-L55 WeakPolarHBondContact O-CB 3.3Å; I51-L55 PolarHBondContact O-N 2.83Å; I51-L130 HydrophobicContact CD1-CD1 4.05Å; I51-V134 HydrophobicContact CB-CG2 4.15Å; I51-V134 HydrophobicContact CG2-CG2 4Å
52G98.4Very high96.7Very high0 Ų063.8 Ų63.80%031%0.308CS..Hα-helixtrans-57.2-43.7-178.600000113.2G48 Y49 R54 L55 I56 V134G48-G52 PolarHBondContact O-N 3.11Å; Y49-G52 PolarHBondContact O-N 3.1Å; Y49-G52 VanDerWaalsContact O-N 3.14Å; G52-R54 PolarHBondContact O-N 3.38Å; G52-L55 PolarHBondContact O-N 3.27Å; G52-I56 PolarHBondContact O-N 3.25Å; G52-I56 VanDerWaalsContact O-N 3.14Å; G52-V134 WeakPolarHBondContact CA-O 3.28Å
53V98Very high96.3Very high35 Ų3559.7 Ų59.721%0.21229%0.293CS..Hα-helixtrans-56.6-32.9175.9166.50000112.4Y49 I51 I56 M141Y49-V53 HydrophobicContact CD1-CG2 4.3Å; Y49-V53 HydrophobicContact CE1-CG2 3.86Å; Y49-V53 HydrophobicContact CE2-CG2 4.35Å; Y49-V53 WeakPolarHBondContact O-CG2 3.5Å; Y49-V53 PolarHBondContact O-N 3.2Å; I51-V53 VanDerWaalsContact C-N 3.34Å; I51-V53 PolarHBondContact O-N 3.02Å; V53-I56 VanDerWaalsContact O-CG2 3.28Å; V53-I56 WeakPolarHBondContact O-CG2 3.48Å; V53-M141 HydrophobicContact CB-CG 4.22Å; V53-M141 HydrophobicContact CB-SD 4.47Å; V53-M141 HydrophobicContact CG1-CE 4.37Å; V53-M141 HydrophobicContact CG1-CG 4.11Å; V53-M141 HydrophobicContact CG1-SD 3.83Å; V53-M141 HydrophobicContact CG2-CG 4.13Å; V53-M141 HydrophobicContact CG2-SD 4.29Å
54R97.3Very high95.7Very high201 Ų20163 Ų6376%0.75832%0.321SS*.Hα-helixtrans-92.2-33.9179.2-57.5178.886.9-179.47.4112.2N50 I51 G52 I56N50-R54 WeakPolarHBondContact O-CG 3.39Å; I51-R54 PolarHBondContact O-N 3.44Å; G52-R54 PolarHBondContact O-N 3.38Å; R54-I56 VanDerWaalsContact C-N 3.31Å; R54-I56 PolarHBondContact O-N 2.86Å
55L96.7Very high95.2Very high46 Ų4665 Ų6524%0.24133%0.331CS..Hα-helixtrans-67.8-32.4-175.8-169.665.8000112.1I51 G52 E57 D58 F59 Y86 V134I51-L55 VanDerWaalsContact O-CB 3.28Å; I51-L55 WeakPolarHBondContact O-CB 3.3Å; I51-L55 PolarHBondContact O-N 2.83Å; G52-L55 PolarHBondContact O-N 3.27Å; L55-E57 VanDerWaalsContact C-N 3.27Å; L55-E57 PolarHBondContact O-N 3.47Å; L55-D58 PolarHBondContact O-N 3.37Å; L55-F59 PolarHBondContact O-N 2.92Å; L55-Y86 HydrophobicContact CD1-CD1 4.02Å; L55-Y86 HydrophobicContact CD1-CE1 3.52Å; L55-Y86 HydrophobicContact CD1-CE2 4.25Å; L55-Y86 HydrophobicContact CD2-CD2 4.06Å; L55-Y86 HydrophobicContact CD2-CE2 4.04Å; L55-Y86 HydrophobicContact CD2-CG 4.31Å; L55-Y86 HydrophobicContact CG-CD2 4.48Å; L55-Y86 HydrophobicContact CG-CE1 4.17Å; L55-Y86 HydrophobicContact CG-CE2 3.98Å; L55-V134 HydrophobicContact CD2-CG1 3.93Å
56I96Very high94.6Very high17 Ų1766 Ų669%0.08735%0.35CS..Hα-helixtrans-58.8-35.1-179.7-17258.3000113.2G52 V53 R54 F59 L60 A138 M141 V142G52-I56 PolarHBondContact O-N 3.25Å; G52-I56 VanDerWaalsContact O-N 3.14Å; V53-I56 VanDerWaalsContact O-CG2 3.28Å; V53-I56 WeakPolarHBondContact O-CG2 3.48Å; R54-I56 VanDerWaalsContact C-N 3.31Å; R54-I56 PolarHBondContact O-N 2.86Å; I56-F59 HydrophobicContact CD1-CD1 4.15Å; I56-F59 WeakPolarHBondContact O-CB 3.33Å; I56-F59 PolarHBondContact O-N 3.07Å; I56-L60 HydrophobicContact CD1-CD1 4.37Å; I56-L60 HydrophobicContact CD1-CG 4.16Å; I56-L60 HydrophobicContact CG1-CD1 4.11Å; I56-L60 HydrophobicContact CG1-CG 4.33Å; I56-L60 WeakPolarHBondContact O-CG 3.37Å; I56-L60 PolarHBondContact O-N 3.41Å; I56-A138 HydrophobicContact CB-CB 4.19Å; I56-A138 HydrophobicContact CD1-CB 4.41Å; I56-M141 HydrophobicContact CG1-CB 4.4Å; I56-M141 HydrophobicContact CG2-CB 3.67Å; I56-M141 HydrophobicContact CG2-CG 3.9Å; I56-V142 HydrophobicContact CD1-CG1 4.06Å; I56-V142 HydrophobicContact CG1-CG1 4.01Å
57E92.9Very high94Very high141 Ų14167.9 Ų67.966%0.65935%0.354SS*.Hα-helixtrans-65.2-44.6177.4-65.6-177.1170.900111.4L55 F59 L60 A61L55-E57 VanDerWaalsContact C-N 3.27Å; L55-E57 PolarHBondContact O-N 3.47Å; E57-F59 VanDerWaalsContact C-N 3.31Å; E57-F59 PolarHBondContact O-N 2.87Å; E57-L60 PolarHBondContact O-N 3.23Å; E57-A61 VanDerWaalsContact O-CB 3.3Å; E57-A61 WeakPolarHBondContact O-CB 3.21Å; E57-A61 PolarHBondContact O-N 2.88Å
58D94.3Very high93.6Very high63 Ų6366.5 Ų66.534%0.33735%0.349SS..Hα-helixtrans-60.9-42.9173.5178.175.9000110.9L55 A61 R62 Y86L55-D58 PolarHBondContact O-N 3.37Å; D58-A61 PolarHBondContact O-N 3.4Å; D58-R62 WeakPolarHBondContact O-CB 3.3Å; D58-R62 WeakPolarHBondContact O-CG 3.4Å; D58-R62 PolarHBondContact O-N 2.87Å; D58-R62 VanDerWaalsContact O-N 3.1Å; D58-R62 WeakPolarHBondContact OD1-CD 3.33Å; D58-R62 IonicContact OD1-NH1 2.65Å; D58-R62 WeakPolarHBondContact OD2-CD 3.38Å; D58-R62 IonicContact OD2-CZ 3.96Å; D58-R62 IonicContact OD2-NH1 3.93Å; D58-R62 PolarHBondContact OD2-NH1 3.3Å; D58-Y86 WeakPolarHBondContact OD2-CE1 3.28Å; D58-Y86 PolarHBondContact OD2-OH 3.35Å
59F95.4Very high93.1Very high16 Ų1674 Ų747%0.0738%0.384CS..Hα-helixtrans-61.2-49.1-179.9179.1-103.6000111.8L55 I56 E57 R62 S63 I65 V77 V81 A82 M85 Y86L55-F59 PolarHBondContact O-N 2.92Å; I56-F59 HydrophobicContact CD1-CD1 4.15Å; I56-F59 WeakPolarHBondContact O-CB 3.33Å; I56-F59 PolarHBondContact O-N 3.07Å; E57-F59 VanDerWaalsContact C-N 3.31Å; E57-F59 PolarHBondContact O-N 2.87Å; F59-R62 PolarHBondContact O-N 2.81Å; F59-S63 WeakPolarHBondContact O-CB 3.18Å; F59-S63 PolarHBondContact O-N 3.19Å; F59-S63 PolarHBondContact O-OG 2.94Å; F59-I65 HydrophobicContact CE1-CD1 4.4Å; F59-I65 HydrophobicContact CZ-CD1 3.95Å; F59-V77 HydrophobicContact CE1-CG1 3.89Å; F59-V77 HydrophobicContact CZ-CG1 3.6Å; F59-V81 HydrophobicContact CE2-CB 4.28Å; F59-V81 HydrophobicContact CE2-CG1 3.86Å; F59-V81 HydrophobicContact CZ-CB 4.28Å; F59-V81 HydrophobicContact CZ-CG1 4.09Å; F59-A82 HydrophobicContact CD2-CB 4.18Å; F59-A82 HydrophobicContact CE2-CB 3.68Å; F59-A82 HydrophobicContact CZ-CB 4.16Å; F59-M85 HydrophobicContact CD2-CE 4.36Å; F59-M85 HydrophobicContact CD2-SD 4.13Å; F59-M85 HydrophobicContact CE2-CE 4.4Å; F59-Y86 WeakPolarHBondContact CA-OH 3.4Å; F59-Y86 HydrophobicContact CB-CE2 4.12Å; F59-Y86 WeakPolarHBondContact CB-OH 3.43Å; F59-Y86 AromaticContact CD2-CE2 3.83Å; F59-Y86 HydrophobicContact CD2-CE2 3.83Å; F59-Y86 HydrophobicContact CG-CE2 4.4Å; F59-Y86 PolarHBondContact N-OH 3.15Å; F59-Y86 VanDerWaalsContact N-OH 3.07Å
60L93.9Very high92.8Very high73 Ų7375 Ų7538%0.38239%0.393SS..Hα-helixtrans-66.1-39.9180-67.7175.3000111.5I56 E57 R62 V142I56-L60 HydrophobicContact CD1-CD1 4.37Å; I56-L60 HydrophobicContact CD1-CG 4.16Å; I56-L60 HydrophobicContact CG1-CD1 4.11Å; I56-L60 HydrophobicContact CG1-CG 4.33Å; I56-L60 WeakPolarHBondContact O-CG 3.37Å; I56-L60 PolarHBondContact O-N 3.41Å; E57-L60 PolarHBondContact O-N 3.23Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 3.1Å; L60-V142 HydrophobicContact CD1-CG1 4.32Å
61A92.2Very high92.6Very high81 Ų8171.7 Ų71.767%0.66938%0.375SS*.Hα-helixtrans-63.5-30.7178.200000113.2E57 D58E57-A61 VanDerWaalsContact O-CB 3.3Å; E57-A61 WeakPolarHBondContact O-CB 3.21Å; E57-A61 PolarHBondContact O-N 2.88Å; D58-A61 PolarHBondContact O-N 3.4Å
62R90.8Very high92.5Very high84 Ų8473.6 Ų73.632%0.31738%0.377SS..Hα-helixtrans-103.3-29.6-173-67.217358.5-144.1-8114.5S11 D58 F59 L60 M85S11-R62 VanDerWaalsContact CB-NH2 3.33Å; S11-R62 PolarHBondContact OG-NE 3.08Å; S11-R62 PolarHBondContact OG-NH2 3.46Å; D58-R62 WeakPolarHBondContact O-CB 3.3Å; D58-R62 WeakPolarHBondContact O-CG 3.4Å; D58-R62 PolarHBondContact O-N 2.87Å; D58-R62 VanDerWaalsContact O-N 3.1Å; D58-R62 WeakPolarHBondContact OD1-CD 3.33Å; D58-R62 IonicContact OD1-NH1 2.65Å; D58-R62 WeakPolarHBondContact OD2-CD 3.38Å; D58-R62 IonicContact OD2-CZ 3.96Å; D58-R62 IonicContact OD2-NH1 3.93Å; D58-R62 PolarHBondContact OD2-NH1 3.3Å; F59-R62 PolarHBondContact O-N 2.81Å; L60-R62 VanDerWaalsContact C-N 3.26Å; L60-R62 PolarHBondContact O-N 3.1Å; R62-M85 HydrophobicContact CB-CE 4.37Å; R62-M85 HydrophobicContact CB-SD 4.42Å
63S89.6Confident92.4Very high24 Ų2477.2 Ų77.217%0.16839%0.394CS..Hα-helixtrans-81.8-21.5-178.665.30000113F59 I65F59-S63 WeakPolarHBondContact O-CB 3.18Å; F59-S63 PolarHBondContact O-N 3.19Å; F59-S63 PolarHBondContact O-OG 2.94Å; S63-I65 PolarHBondContact O-N 3.44Å; S63-I65 VanDerWaalsContact O-N 3.16Å; S63-I65 WeakPolarHBondContact OG-CB 3.25Å; S63-I65 PolarHBondContact OG-N 3.28Å
64S85.7Confident92.3Very high111 Ų11175.7 Ų75.778%0.77639%0.385SS*.  trans54.623.3-169.6-53.50000113.2
65I88.7Confident92.4Very high43 Ų4366.1 Ų66.122%0.22135%0.349CS..  trans-82.5128.3178.1-66.8173.8000108.5F59 S63 V77 V81F59-I65 HydrophobicContact CE1-CD1 4.4Å; F59-I65 HydrophobicContact CZ-CD1 3.95Å; S63-I65 PolarHBondContact O-N 3.44Å; S63-I65 VanDerWaalsContact O-N 3.16Å; S63-I65 WeakPolarHBondContact OG-CB 3.25Å; S63-I65 PolarHBondContact OG-N 3.28Å; I65-V77 HydrophobicContact CD1-CG1 3.68Å; I65-V77 HydrophobicContact CD1-CG2 4.18Å; I65-V77 HydrophobicContact CG2-CG1 4.33Å; I65-V77 HydrophobicContact CG2-CG2 4.25Å; I65-V81 HydrophobicContact CD1-CB 4.15Å; I65-V81 HydrophobicContact CD1-CG1 3.93Å; I65-V81 HydrophobicContact CD1-CG2 3.97Å
66G84.8Confident92.4Very high57 Ų5767.2 Ų67.259%0.58836%0.355SS*.  trans-76.1-170.4173.300000112.4C68G66-C68 PolarHBondContact O-N 2.98Å
67R86.1Confident92.5Very high158 Ų15867.4 Ų67.460%0.59636%0.357SS*.  trans-65.5124.2173.9-171177.6-175.2165.98.9110.1Q143R67-Q143 VanDerWaalsContact CZ-OE1 3.24Å
68C89.9Confident92.7Very high23 Ų2361.3 Ų61.316%0.15533%0.329CS..  trans-63.5139.1173.4-61.90000110.5G66 E73 T74G66-C68 PolarHBondContact O-N 2.98Å; C68-E73 WeakPolarHBondContact CA-OE2 3.44Å; C68-E73 HydrophobicContact CB-CB 4.38Å; C68-E73 HydrophobicContact CB-CG 4.25Å; C68-T74 WeakPolarHBondContact CB-OG1 3.44Å
69Q88.6Confident92.9Very high157 Ų15758.3 Ų58.373%0.73431%0.313SS*.SBendtrans-76.4-43.3-177.3-60.7-173.25.400111.4E73 R170Q69-E73 WeakPolarHBondContact CB-OE2 3.41Å; Q69-E73 PolarHBondContact N-OE2 2.87Å; Q69-R170 PolarHBondContact O-NH2 3.29Å
70D92.1Very high93Very high78 Ų7863 Ų6342%0.41733%0.333SS..SBendtrans-138.3175.8-178.168.735.8000113R72 E73 T74D70-R72 VanDerWaalsContact C-N 3.27Å; D70-R72 PolarHBondContact O-N 3.35Å; D70-R72 WeakPolarHBondContact OD1-CA 3.37Å; D70-R72 WeakPolarHBondContact OD1-CB 3.32Å; D70-R72 PolarHBondContact OD1-N 2.94Å; D70-E73 PolarHBondContact OD1-N 3.26Å; D70-T74 PolarHBondContact O-N 2.7Å; D70-T74 VanDerWaalsContact O-N 3.13Å; D70-T74 PolarHBondContact O-OG1 2.99Å
71F95.1Very high93.1Very high17 Ų1761.7 Ų61.78%0.07533%0.328CS..Hα-helixtrans-72.7-21.5-177.5-160.9-135.8000112.6T74 A75 W96 D101 F103 V146 M165 F167F71-T74 HydrophobicContact CD2-CG2 4.26Å; F71-T74 HydrophobicContact CE2-CG2 4.47Å; F71-T74 WeakPolarHBondContact O-CB 3.18Å; F71-T74 PolarHBondContact O-N 3.39Å; F71-A75 WeakPolarHBondContact O-CB 3.31Å; F71-A75 PolarHBondContact O-N 2.79Å; F71-W96 HydrophobicContact CD1-CH2 4.26Å; F71-W96 HydrophobicContact CD1-CZ3 4.01Å; F71-D101 WeakPolarHBondContact CE1-O 3.18Å; F71-F103 AromaticContact CD1-CD1 3.84Å; F71-F103 HydrophobicContact CD1-CD1 3.84Å; F71-F103 AromaticContact CD1-CE1 3.87Å; F71-F103 HydrophobicContact CD1-CE1 3.87Å; F71-F103 HydrophobicContact CD2-CE1 4.3Å; F71-F103 AromaticContact CE1-CD1 3.44Å; F71-F103 HydrophobicContact CE1-CD1 3.44Å; F71-F103 VanDerWaalsContact CE1-CD1 3.44Å; F71-F103 AromaticContact CE1-CE1 3.36Å; F71-F103 HydrophobicContact CE1-CE1 3.36Å; F71-F103 AromaticContact CE2-CE1 3.84Å; F71-F103 HydrophobicContact CE2-CE1 3.84Å; F71-F103 HydrophobicContact CG-CE1 4.31Å; F71-F103 AromaticContact CZ-CD1 3.93Å; F71-F103 HydrophobicContact CZ-CD1 3.93Å; F71-F103 AromaticContact CZ-CE1 3.36Å; F71-F103 HydrophobicContact CZ-CE1 3.36Å; F71-F103 HydrophobicContact CZ-CZ 4.35Å; F71-V146 HydrophobicContact CE2-CG1 3.94Å; F71-V146 HydrophobicContact CZ-CG1 4.16Å; F71-M165 HydrophobicContact CZ-CB 4.24Å; F71-F167 HydrophobicContact CD1-CB 3.82Å; F71-F167 HydrophobicContact CD2-CB 4.33Å; F71-F167 HydrophobicContact CD2-CD2 4.47Å; F71-F167 HydrophobicContact CE1-CB 3.73Å; F71-F167 HydrophobicContact CE2-CB 4.27Å; F71-F167 HydrophobicContact CG-CB 4.12Å; F71-F167 HydrophobicContact CZ-CB 3.97Å
72R95.9Very high93.3Very high120 Ų12058.9 Ų58.945%0.45330%0.304SS..Hα-helixtrans-72-45.6175.9-65.7-177.5174.7-81.4-2.3111.1D70 T74 A75 D76 W96D70-R72 VanDerWaalsContact C-N 3.27Å; D70-R72 PolarHBondContact O-N 3.35Å; D70-R72 WeakPolarHBondContact OD1-CA 3.37Å; D70-R72 WeakPolarHBondContact OD1-CB 3.32Å; D70-R72 PolarHBondContact OD1-N 2.94Å; R72-T74 VanDerWaalsContact C-N 3.27Å; R72-T74 PolarHBondContact O-N 3.12Å; R72-A75 WeakPolarHBondContact O-CB 3.39Å; R72-A75 PolarHBondContact O-N 3.24Å; R72-D76 PolarHBondContact O-N 2.91Å; R72-D76 VanDerWaalsContact O-N 3.08Å; R72-W96 VanDerWaalsContact CA-CH2 3.49Å; R72-W96 HydrophobicContact CB-CH2 4.1Å; R72-W96 HydrophobicContact CB-CZ2 4.13Å; R72-W96 HydrophobicContact CG-CE3 4.34Å; R72-W96 HydrophobicContact CG-CH2 3.65Å; R72-W96 HydrophobicContact CG-CZ2 3.83Å; R72-W96 HydrophobicContact CG-CZ3 3.9Å
73E96Very high93.6Very high76 Ų7655.4 Ų55.436%0.35529%0.292SS..Hα-helixtrans-59.8-43172-173.1179.6-170.100110.4C68 Q69 D70 A75 D76 V77C68-E73 WeakPolarHBondContact CA-OE2 3.44Å; C68-E73 HydrophobicContact CB-CB 4.38Å; C68-E73 HydrophobicContact CB-CG 4.25Å; Q69-E73 WeakPolarHBondContact CB-OE2 3.41Å; Q69-E73 PolarHBondContact N-OE2 2.87Å; D70-E73 PolarHBondContact OD1-N 3.26Å; E73-A75 VanDerWaalsContact C-N 3.34Å; E73-A75 PolarHBondContact O-N 3.26Å; E73-D76 PolarHBondContact O-N 3.44Å; E73-V77 HydrophobicContact CG-CG2 4.47Å; E73-V77 WeakPolarHBondContact O-CG2 3.34Å; E73-V77 PolarHBondContact O-N 3.02Å
74T96.9Very high93.8Very high4 Ų460.6 Ų60.63%0.02531%0.311CS..Hα-helixtrans-57.5-46.1175.7-57.10000111.7C68 D70 F71 R72 D76 V77 I78 L139 M144C68-T74 WeakPolarHBondContact CB-OG1 3.44Å; D70-T74 PolarHBondContact O-N 2.7Å; D70-T74 VanDerWaalsContact O-N 3.13Å; D70-T74 PolarHBondContact O-OG1 2.99Å; F71-T74 HydrophobicContact CD2-CG2 4.26Å; F71-T74 HydrophobicContact CE2-CG2 4.47Å; F71-T74 WeakPolarHBondContact O-CB 3.18Å; F71-T74 PolarHBondContact O-N 3.39Å; R72-T74 VanDerWaalsContact C-N 3.27Å; R72-T74 PolarHBondContact O-N 3.12Å; T74-D76 VanDerWaalsContact C-N 3.34Å; T74-D76 PolarHBondContact O-N 2.68Å; T74-V77 PolarHBondContact O-N 2.87Å; T74-I78 HydrophobicContact CG2-CD1 3.85Å; T74-I78 HydrophobicContact CG2-CG1 4.48Å; T74-I78 VanDerWaalsContact O-CG1 3.25Å; T74-I78 WeakPolarHBondContact O-CG1 3.2Å; T74-I78 PolarHBondContact O-N 3.14Å; T74-L139 HydrophobicContact CG2-CD2 3.57Å; T74-M144 HydrophobicContact CG2-CE 3.73Å; T74-M144 HydrophobicContact CG2-SD 4.25Å
75A98.1Very high94.2Very high0 Ų058 Ų580%029%0.288CS..Hα-helixtrans-59.3-44.6177.100000112.3F71 R72 E73 I78 A79 V93 W96 F103F71-A75 WeakPolarHBondContact O-CB 3.31Å; F71-A75 PolarHBondContact O-N 2.79Å; R72-A75 WeakPolarHBondContact O-CB 3.39Å; R72-A75 PolarHBondContact O-N 3.24Å; E73-A75 VanDerWaalsContact C-N 3.34Å; E73-A75 PolarHBondContact O-N 3.26Å; A75-I78 PolarHBondContact O-N 3.49Å; A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 2.97Å; A75-V93 HydrophobicContact CB-CG1 3.85Å; A75-V93 HydrophobicContact CB-CG2 4.3Å; A75-W96 HydrophobicContact CB-CH2 3.87Å; A75-W96 HydrophobicContact CB-CZ2 3.56Å; A75-F103 HydrophobicContact CB-CD1 3.93Å; A75-F103 HydrophobicContact CB-CD2 3.93Å; A75-F103 HydrophobicContact CB-CE1 3.56Å; A75-F103 HydrophobicContact CB-CE2 3.56Å; A75-F103 HydrophobicContact CB-CG 4.1Å; A75-F103 HydrophobicContact CB-CZ 3.37Å
76D97.2Very high94.5Very high68 Ų6859.3 Ų59.336%0.36429%0.29SS..Hα-helixtrans-64.2-42.6178.1-96-14.4000112.1R72 E73 T74 A79 K80R72-D76 PolarHBondContact O-N 2.91Å; R72-D76 VanDerWaalsContact O-N 3.08Å; E73-D76 PolarHBondContact O-N 3.44Å; T74-D76 VanDerWaalsContact C-N 3.34Å; T74-D76 PolarHBondContact O-N 2.68Å; D76-A79 PolarHBondContact O-N 3.33Å; D76-K80 HydrophobicContact CB-CD 4.46Å; D76-K80 VanDerWaalsContact O-CB 3.25Å; D76-K80 WeakPolarHBondContact O-CB 3.47Å; D76-K80 PolarHBondContact O-N 2.84Å; D76-K80 WeakPolarHBondContact OD1-CE 3.32Å; D76-K80 IonicContact OD1-NZ 3.16Å; D76-K80 PolarHBondContact OD1-NZ 2.72Å; D76-K80 IonicContact OD2-NZ 2.71Å; D76-K80 PolarHBondContact OD2-NZ 3.43Å; D76-K80 VanDerWaalsContact OD2-NZ 3.16Å
77V97.9Very high94.9Very high22 Ų2258.3 Ų58.313%0.13327%0.271CS..Hα-helixtrans-63.1-45176.7168.80000111F59 I65 E73 T74 V81 A82F59-V77 HydrophobicContact CE1-CG1 3.89Å; F59-V77 HydrophobicContact CZ-CG1 3.6Å; I65-V77 HydrophobicContact CD1-CG1 3.68Å; I65-V77 HydrophobicContact CD1-CG2 4.18Å; I65-V77 HydrophobicContact CG2-CG1 4.33Å; I65-V77 HydrophobicContact CG2-CG2 4.25Å; E73-V77 HydrophobicContact CG-CG2 4.47Å; E73-V77 WeakPolarHBondContact O-CG2 3.34Å; E73-V77 PolarHBondContact O-N 3.02Å; T74-V77 PolarHBondContact O-N 2.87Å; V77-V81 WeakPolarHBondContact O-CA 3.33Å; V77-V81 VanDerWaalsContact O-CB 3.25Å; V77-V81 WeakPolarHBondContact O-CB 3.39Å; V77-V81 PolarHBondContact O-N 2.99Å; V77-A82 PolarHBondContact O-N 3.39Å
78I97.9Very high95.2Very high13 Ų1353.8 Ų53.87%0.06727%0.274CS..Iπ-helixtrans-58.6-55.2176.5-70.1165.4000109.8T74 A75 A82 F83 L105 L135 L139 M165T74-I78 HydrophobicContact CG2-CD1 3.85Å; T74-I78 HydrophobicContact CG2-CG1 4.48Å; T74-I78 VanDerWaalsContact O-CG1 3.25Å; T74-I78 WeakPolarHBondContact O-CG1 3.2Å; T74-I78 PolarHBondContact O-N 3.14Å; A75-I78 PolarHBondContact O-N 3.49Å; I78-A82 WeakPolarHBondContact O-CB 3.16Å; I78-A82 PolarHBondContact O-N 3.23Å; I78-F83 HydrophobicContact CG2-CD2 3.69Å; I78-F83 HydrophobicContact CG2-CE2 3.62Å; I78-F83 WeakPolarHBondContact O-CD2 3.07Å; I78-F83 PolarHBondContact O-N 3.2Å; I78-L105 HydrophobicContact CG2-CD1 3.92Å; I78-L135 HydrophobicContact CD1-CD2 4.46Å; I78-L135 HydrophobicContact CG2-CD2 3.71Å; I78-L139 HydrophobicContact CD1-CD1 4Å; I78-L139 HydrophobicContact CD1-CD2 4.23Å; I78-M165 HydrophobicContact CD1-CE 4.2Å
79A97.8Very high95.4Very high0 Ų053.9 Ų53.90%027%0.273CS..Iπ-helixtrans-67.8-48.4-17300000113.2A75 D76 P91 V93 L105A75-A79 WeakPolarHBondContact O-CB 3.38Å; A75-A79 PolarHBondContact O-N 2.97Å; D76-A79 PolarHBondContact O-N 3.33Å; A79-P91 WeakPolarHBondContact O-CD 3.4Å; A79-V93 HydrophobicContact CB-CG2 3.52Å; A79-L105 HydrophobicContact CB-CD2 4Å
80K97Very high95.8Very high113 Ų11350.2 Ų50.249%0.49126%0.261SS..Iπ-helixtrans-89.2-23.7-169.7-62169.8178156.80113.2D76 K84 T90D76-K80 HydrophobicContact CB-CD 4.46Å; D76-K80 VanDerWaalsContact O-CB 3.25Å; D76-K80 WeakPolarHBondContact O-CB 3.47Å; D76-K80 PolarHBondContact O-N 2.84Å; D76-K80 WeakPolarHBondContact OD1-CE 3.32Å; D76-K80 IonicContact OD1-NZ 3.16Å; D76-K80 PolarHBondContact OD1-NZ 2.72Å; D76-K80 IonicContact OD2-NZ 2.71Å; D76-K80 PolarHBondContact OD2-NZ 3.43Å; D76-K80 VanDerWaalsContact OD2-NZ 3.16Å; K80-K84 WeakPolarHBondContact O-CB 3.49Å; K80-T90 HydrophobicContact CG-CG2 4.37Å
81V96.8Very high96.1Very high47 Ų4746.8 Ų46.829%0.28524%0.243SC..Iπ-helixtrans-114-58.9-175.8-166.90000111.2F59 I65 V77 K84 M85F59-V81 HydrophobicContact CE2-CB 4.28Å; F59-V81 HydrophobicContact CE2-CG1 3.86Å; F59-V81 HydrophobicContact CZ-CB 4.28Å; F59-V81 HydrophobicContact CZ-CG1 4.09Å; I65-V81 HydrophobicContact CD1-CB 4.15Å; I65-V81 HydrophobicContact CD1-CG1 3.93Å; I65-V81 HydrophobicContact CD1-CG2 3.97Å; V77-V81 WeakPolarHBondContact O-CA 3.33Å; V77-V81 VanDerWaalsContact O-CB 3.25Å; V77-V81 WeakPolarHBondContact O-CB 3.39Å; V77-V81 PolarHBondContact O-N 2.99Å; V81-K84 PolarHBondContact O-N 3.06Å; V81-M85 HydrophobicContact CG1-CE 4.32Å; V81-M85 WeakPolarHBondContact O-CB 3.34Å; V81-M85 PolarHBondContact O-N 3.48Å
82A96.8Very high96.3Very high21 Ų2148.6 Ų48.617%0.17426%0.258CS..Iπ-helixtrans-67-52.5-171.900000112.5F59 V77 I78 K84 M85 Y86F59-A82 HydrophobicContact CD2-CB 4.18Å; F59-A82 HydrophobicContact CE2-CB 3.68Å; F59-A82 HydrophobicContact CZ-CB 4.16Å; V77-A82 PolarHBondContact O-N 3.39Å; I78-A82 WeakPolarHBondContact O-CB 3.16Å; I78-A82 PolarHBondContact O-N 3.23Å; A82-K84 VanDerWaalsContact C-N 3.27Å; A82-K84 PolarHBondContact O-N 2.99Å; A82-M85 PolarHBondContact O-N 3.14Å; A82-M85 VanDerWaalsContact O-N 3.14Å; A82-Y86 VanDerWaalsContact O-CD2 3.31Å; A82-Y86 WeakPolarHBondContact O-CD2 3.41Å; A82-Y86 PolarHBondContact O-N 2.99Å
83F96.9Very high96.4Very high11 Ų1144.6 Ų44.65%0.04825%0.247CC..Hα-helixtrans-60.2-38.9177.1-90.9-92.1000112.1I78 M85 L87 G88 I89 P91 L105 L107 L135I78-F83 HydrophobicContact CG2-CD2 3.69Å; I78-F83 HydrophobicContact CG2-CE2 3.62Å; I78-F83 WeakPolarHBondContact O-CD2 3.07Å; I78-F83 PolarHBondContact O-N 3.2Å; F83-M85 VanDerWaalsContact C-N 3.35Å; F83-M85 PolarHBondContact O-N 3.27Å; F83-L87 HydrophobicContact CD1-CD1 3.78Å; F83-L87 HydrophobicContact CE1-CD1 3.82Å; F83-L87 CarbonylContact O-C 3.58Å; F83-L87 WeakPolarHBondContact O-CA 3.46Å; F83-L87 WeakPolarHBondContact O-CB 3.39Å; F83-L87 PolarHBondContact O-N 2.97Å; F83-G88 PolarHBondContact O-N 2.92Å; F83-I89 CarbonylContact C-O 3.58Å; F83-I89 HydrophobicContact CB-CG1 4.31Å; F83-I89 HydrophobicContact CD1-CD1 3.84Å; F83-I89 HydrophobicContact CD1-CG1 3.86Å; F83-I89 HydrophobicContact CE1-CD1 4.34Å; F83-P91 VanDerWaalsContact CB-CD 3.48Å; F83-P91 HydrophobicContact CB-CG 3.98Å; F83-P91 HydrophobicContact CD1-CG 3.64Å; F83-P91 HydrophobicContact CD2-CG 3.99Å; F83-P91 HydrophobicContact CE1-CG 4.07Å; F83-P91 HydrophobicContact CE2-CG 4.38Å; F83-P91 HydrophobicContact CG-CG 3.59Å; F83-P91 HydrophobicContact CZ-CG 4.42Å; F83-L105 HydrophobicContact CE2-CD1 3.88Å; F83-L105 HydrophobicContact CZ-CD1 4.37Å; F83-L107 HydrophobicContact CE1-CD2 4.14Å; F83-L135 HydrophobicContact CE2-CD1 4.47Å; F83-L135 HydrophobicContact CE2-CD2 4.1Å; F83-L135 HydrophobicContact CZ-CD1 4.44Å
84K94.3Very high96.5Very high134 Ų13443.2 Ų43.258%0.58324%0.243SC*.Hα-helixtrans-66.3-38.5177.1-173.5172.2-177.8173.30112.1K80 V81 A82 G88 I89K80-K84 WeakPolarHBondContact O-CB 3.49Å; V81-K84 PolarHBondContact O-N 3.06Å; A82-K84 VanDerWaalsContact C-N 3.27Å; A82-K84 PolarHBondContact O-N 2.99Å; K84-G88 WeakPolarHBondContact O-CA 3.41Å; K84-G88 PolarHBondContact O-N 3.29Å; K84-I89 WeakPolarHBondContact CA-O 3.48Å; K84-I89 PolarHBondContact N-O 2.92Å
85M93.3Very high96.5Very high56 Ų5647.6 Ų47.628%0.27627%0.267SS..Hα-helixtrans-70.4-42.3-179.4-175.5179.9-64.100112.4F59 R62 V81 A82 F83F59-M85 HydrophobicContact CD2-CE 4.36Å; F59-M85 HydrophobicContact CD2-SD 4.13Å; F59-M85 HydrophobicContact CE2-CE 4.4Å; R62-M85 HydrophobicContact CB-CE 4.37Å; R62-M85 HydrophobicContact CB-SD 4.42Å; V81-M85 HydrophobicContact CG1-CE 4.32Å; V81-M85 WeakPolarHBondContact O-CB 3.34Å; V81-M85 PolarHBondContact O-N 3.48Å; A82-M85 PolarHBondContact O-N 3.14Å; A82-M85 VanDerWaalsContact O-N 3.14Å; F83-M85 VanDerWaalsContact C-N 3.35Å; F83-M85 PolarHBondContact O-N 3.27Å
86Y94.3Very high96.5Very high71 Ų7150.7 Ų50.728%0.27828%0.279SS..Hα-helixtrans-101.1-31-170.8-65.5-60.3000114.8L55 D58 F59 A82L55-Y86 HydrophobicContact CD1-CD1 4.02Å; L55-Y86 HydrophobicContact CD1-CE1 3.52Å; L55-Y86 HydrophobicContact CD1-CE2 4.25Å; L55-Y86 HydrophobicContact CD2-CD2 4.06Å; L55-Y86 HydrophobicContact CD2-CE2 4.04Å; L55-Y86 HydrophobicContact CD2-CG 4.31Å; L55-Y86 HydrophobicContact CG-CD2 4.48Å; L55-Y86 HydrophobicContact CG-CE1 4.17Å; L55-Y86 HydrophobicContact CG-CE2 3.98Å; D58-Y86 WeakPolarHBondContact OD2-CE1 3.28Å; D58-Y86 PolarHBondContact OD2-OH 3.35Å; F59-Y86 WeakPolarHBondContact CA-OH 3.4Å; F59-Y86 HydrophobicContact CB-CE2 4.12Å; F59-Y86 WeakPolarHBondContact CB-OH 3.43Å; F59-Y86 AromaticContact CD2-CE2 3.83Å; F59-Y86 HydrophobicContact CD2-CE2 3.83Å; F59-Y86 HydrophobicContact CG-CE2 4.4Å; F59-Y86 PolarHBondContact N-OH 3.15Å; F59-Y86 VanDerWaalsContact N-OH 3.07Å; A82-Y86 VanDerWaalsContact O-CD2 3.31Å; A82-Y86 WeakPolarHBondContact O-CD2 3.41Å; A82-Y86 PolarHBondContact O-N 2.99Å
87L93.5Very high96.5Very high35 Ų3548.2 Ų48.218%0.18327%0.267CS..THydrogen-bonded Turntrans-119.9-5.5-177.2-63.5176.3000113.1F19 F83 I89 L131F19-L87 HydrophobicContact CE1-CD2 3.79Å; F83-L87 HydrophobicContact CD1-CD1 3.78Å; F83-L87 HydrophobicContact CE1-CD1 3.82Å; F83-L87 CarbonylContact O-C 3.58Å; F83-L87 WeakPolarHBondContact O-CA 3.46Å; F83-L87 WeakPolarHBondContact O-CB 3.39Å; F83-L87 PolarHBondContact O-N 2.97Å; L87-I89 HydrophobicContact CB-CG1 4.04Å; L87-I89 PolarHBondContact O-N 3.11Å; L87-L131 HydrophobicContact CD1-CD2 3.84Å
88G93.1Very high96.4Very high64 Ų6454.1 Ų54.166%0.6631%0.305SS*.SBendtrans72.27.1178.400000114.9F83 K84F83-G88 PolarHBondContact O-N 2.92Å; K84-G88 WeakPolarHBondContact O-CA 3.41Å; K84-G88 PolarHBondContact O-N 3.29Å
89I94.4Very high96.2Very high25 Ų2556.7 Ų56.713%0.12834%0.335CS..  trans-110164.4179.863.7169.9000111.4F83 K84 L87 P91 L107 N109 P111F83-I89 CarbonylContact C-O 3.58Å; F83-I89 HydrophobicContact CB-CG1 4.31Å; F83-I89 HydrophobicContact CD1-CD1 3.84Å; F83-I89 HydrophobicContact CD1-CG1 3.86Å; F83-I89 HydrophobicContact CE1-CD1 4.34Å; K84-I89 WeakPolarHBondContact CA-O 3.48Å; K84-I89 PolarHBondContact N-O 2.92Å; L87-I89 HydrophobicContact CB-CG1 4.04Å; L87-I89 PolarHBondContact O-N 3.11Å; I89-P91 HydrophobicContact CD1-CG 4.39Å; I89-L107 HydrophobicContact CD1-CD2 4.01Å; I89-L107 HydrophobicContact CD1-CG 4.12Å; I89-N109 WeakPolarHBondContact CD1-O 3.32Å; I89-P111 HydrophobicContact CG2-CG 3.64Å
90T97.6Very high96Very high79 Ų7957.5 Ų57.549%0.48534%0.344SS..  trans-132.493.8174.8-58.80000108.5K80K80-T90 HydrophobicContact CG-CG2 4.37Å
91P97.8Very high95.9Very high7 Ų754.8 Ų54.85%0.04533%0.334CS..PPolyproline II helixtrans-61.2153.1177.5-21.933.1000111.9A79 F83 I89 L105 I106 L107A79-P91 WeakPolarHBondContact O-CD 3.4Å; F83-P91 VanDerWaalsContact CB-CD 3.48Å; F83-P91 HydrophobicContact CB-CG 3.98Å; F83-P91 HydrophobicContact CD1-CG 3.64Å; F83-P91 HydrophobicContact CD2-CG 3.99Å; F83-P91 HydrophobicContact CE1-CG 4.07Å; F83-P91 HydrophobicContact CE2-CG 4.38Å; F83-P91 HydrophobicContact CG-CG 3.59Å; F83-P91 HydrophobicContact CZ-CG 4.42Å; I89-P91 HydrophobicContact CD1-CG 4.39Å; P91-L105 HydrophobicContact CB-CB 4.26Å; P91-L105 HydrophobicContact CB-CD2 4.29Å; P91-I106 CarbonylContact C-O 3.23Å; P91-I106 VanDerWaalsContact CA-O 3.23Å; P91-I106 WeakPolarHBondContact CA-O 3.49Å; P91-I106 WeakPolarHBondContact CB-O 3.24Å; P91-L107 HydrophobicContact CB-CD1 4.13Å; P91-L107 HydrophobicContact CB-CG 4.4Å; P91-L107 HydrophobicContact CG-CD1 4.15Å; P91-L107 HydrophobicContact CG-CG 4.14Å
92S97.9Very high96Very high54 Ų5454.5 Ų54.538%0.37833%0.33SS..EExtended strand (participates in β ladder)trans-86.6132.3172-70.80000110.4I106S92-I106 PolarHBondContact N-O 3.19Å; S92-I106 PolarHBondContact O-N 3.32Å
93V98.4Very high96.1Very high37 Ų3753.5 Ų53.522%0.22432%0.322CS..EExtended strand (participates in β ladder)trans-90.2116.6174.9-177.30000109.2A75 A79 W96 F103 S104 L105A75-V93 HydrophobicContact CB-CG1 3.85Å; A75-V93 HydrophobicContact CB-CG2 4.3Å; A79-V93 HydrophobicContact CB-CG2 3.52Å; V93-W96 HydrophobicContact CG1-CZ2 3.92Å; V93-F103 HydrophobicContact CG1-CB 4.32Å; V93-F103 HydrophobicContact CG1-CD2 3.8Å; V93-F103 HydrophobicContact CG1-CE2 4.44Å; V93-F103 HydrophobicContact CG1-CG 4.26Å; V93-S104 WeakPolarHBondContact CA-O 3.49Å; V93-L105 HydrophobicContact CG2-CD2 4Å
94T97.9Very high96.2Very high46 Ų4653 Ų5328%0.28232%0.319SS..EExtended strand (participates in β ladder)trans-139.5-175.9-175.666.90000112.2W96 S104 I106T94-W96 VanDerWaalsContact C-N 3.31Å; T94-W96 PolarHBondContact O-N 2.52Å; T94-W96 VanDerWaalsContact O-N 3.15Å; T94-S104 PolarHBondContact N-O 3.27Å; T94-S104 PolarHBondContact O-N 2.77Å; T94-I106 HydrophobicContact CG2-CG1 4.23Å; T94-I106 WeakPolarHBondContact OG1-CG1 3.43Å
95N97.1Very high96.4Very high97 Ų9746.6 Ų46.652%0.51929%0.291SS..  trans53.439.9168.7-59.1-19.2000115.1S97 E162 R164N95-S97 PolarHBondContact O-N 3.32Å; N95-E162 PolarHBondContact ND2-OE1 2.78Å; N95-R164 PolarHBondContact O-NH1 3.2Å
96W98.3Very high96.6Very high65 Ų6545.1 Ų45.125%0.24628%0.284CS..  trans-57.5132.8175.7-79.494.9000111.7F71 R72 A75 V93 T94 G100 E102 F103F71-W96 HydrophobicContact CD1-CH2 4.26Å; F71-W96 HydrophobicContact CD1-CZ3 4.01Å; R72-W96 VanDerWaalsContact CA-CH2 3.49Å; R72-W96 HydrophobicContact CB-CH2 4.1Å; R72-W96 HydrophobicContact CB-CZ2 4.13Å; R72-W96 HydrophobicContact CG-CE3 4.34Å; R72-W96 HydrophobicContact CG-CH2 3.65Å; R72-W96 HydrophobicContact CG-CZ2 3.83Å; R72-W96 HydrophobicContact CG-CZ3 3.9Å; A75-W96 HydrophobicContact CB-CH2 3.87Å; A75-W96 HydrophobicContact CB-CZ2 3.56Å; V93-W96 HydrophobicContact CG1-CZ2 3.92Å; T94-W96 VanDerWaalsContact C-N 3.31Å; T94-W96 PolarHBondContact O-N 2.52Å; T94-W96 VanDerWaalsContact O-N 3.15Å; W96-G100 WeakPolarHBondContact CZ3-O 3.35Å; W96-E102 CarbonylContact C-O 3.14Å; W96-E102 VanDerWaalsContact CA-O 3.27Å; W96-E102 WeakPolarHBondContact CA-O 3.27Å; W96-E102 VanDerWaalsContact CE3-O 3.29Å; W96-F103 HydrophobicContact CD2-CB 3.68Å; W96-F103 HydrophobicContact CE3-CB 3.81Å; W96-F103 HydrophobicContact CG-CB 4.27Å; W96-F103 HydrophobicContact CH2-CB 3.86Å; W96-F103 AromaticContact CH2-CD1 3.37Å; W96-F103 HydrophobicContact CH2-CD1 3.37Å; W96-F103 HydrophobicContact CH2-CE1 4.1Å; W96-F103 AromaticContact CH2-CG 3.82Å; W96-F103 HydrophobicContact CH2-CG 3.82Å; W96-F103 HydrophobicContact CZ2-CB 3.75Å; W96-F103 AromaticContact CZ2-CD1 3.89Å; W96-F103 HydrophobicContact CZ2-CD1 3.89Å; W96-F103 AromaticContact CZ2-CG 3.86Å; W96-F103 HydrophobicContact CZ2-CG 3.86Å; W96-F103 HydrophobicContact CZ3-CB 3.9Å; W96-F103 AromaticContact CZ3-CD1 3.75Å; W96-F103 HydrophobicContact CZ3-CD1 3.75Å; W96-F103 HydrophobicContact CZ3-CG 4.22Å
97S97.1Very high96.7Very high16 Ų1641.9 Ų41.911%0.11227%0.272CS..  trans-64.5153.8166.864.80000110.4N95 G99 G100 D101 E102N95-S97 PolarHBondContact O-N 3.32Å; S97-G99 PolarHBondContact O-N 2.85Å; S97-G100 PolarHBondContact O-N 3.01Å; S97-G100 PolarHBondContact OG-N 2.95Å; S97-D101 WeakPolarHBondContact CB-OD1 3.47Å; S97-D101 PolarHBondContact OG-N 3.19Å; S97-D101 PolarHBondContact OG-OD1 3.35Å; S97-E102 PolarHBondContact N-O 3.37Å; S97-E102 PolarHBondContact OG-N 2.96Å
98P95.4Very high96.5Very high145 Ų14548.4 Ų48.494%0.94230%0.302SS*.THydrogen-bonded Turntrans-56.8-31.3173.2-25.634.8000113.3G100P98-G100 VanDerWaalsContact C-N 3.27Å; P98-G100 PolarHBondContact O-N 3.47Å
99G93.6Very high96.3Very high67 Ų6749.5 Ų49.569%0.69129%0.292SS*.THydrogen-bonded Turntrans-74.7-11.9176.500000114.4S97 D101S97-G99 PolarHBondContact O-N 2.85Å; G99-D101 PolarHBondContact O-N 3.01Å
100G94.3Very high96.2Very high18 Ų1848.7 Ų48.719%0.18629%0.288CS..SBendtrans67.816.1-175.200000113.8W96 S97 P98W96-G100 WeakPolarHBondContact CZ3-O 3.35Å; S97-G100 PolarHBondContact O-N 3.01Å; S97-G100 PolarHBondContact OG-N 2.95Å; P98-G100 VanDerWaalsContact C-N 3.27Å; P98-G100 PolarHBondContact O-N 3.47Å
101D96Very high95.9Very high56 Ų5645.6 Ų45.630%0.29927%0.269SS..SBendtrans-101.9-5.8-178.566.6-29.9000112.9F71 S97 G99 K166 F167F71-D101 WeakPolarHBondContact CE1-O 3.18Å; S97-D101 WeakPolarHBondContact CB-OD1 3.47Å; S97-D101 PolarHBondContact OG-N 3.19Å; S97-D101 PolarHBondContact OG-OD1 3.35Å; G99-D101 PolarHBondContact O-N 3.01Å; D101-K166 CarbonylContact O-C 3.53Å; D101-K166 WeakPolarHBondContact O-CA 3.21Å; D101-F167 HydrophobicContact CB-CB 4.35Å; D101-F167 WeakPolarHBondContact O-CB 3.27Å; D101-F167 PolarHBondContact O-N 3.02Å
102E98.1Very high95.6Very high40 Ų4045.2 Ų45.219%0.18727%0.267CS..EExtended strand (participates in β ladder)trans-137.1146.2173.3-54.4-174.8-177.700111.4W96 S97 R164 M165 K166W96-E102 CarbonylContact C-O 3.14Å; W96-E102 VanDerWaalsContact CA-O 3.27Å; W96-E102 WeakPolarHBondContact CA-O 3.27Å; W96-E102 VanDerWaalsContact CE3-O 3.29Å; S97-E102 PolarHBondContact N-O 3.37Å; S97-E102 PolarHBondContact OG-N 2.96Å; E102-R164 IonicContact OE2-CZ 3.47Å; E102-R164 IonicContact OE2-NE 3.62Å; E102-R164 PolarHBondContact OE2-NE 2.96Å; E102-R164 IonicContact OE2-NH2 2.81Å; E102-R164 PolarHBondContact OE2-NH2 2.65Å; E102-M165 CarbonylContact C-O 3.51Å; E102-M165 WeakPolarHBondContact CA-O 3.46Å; E102-K166 HydrophobicContact CG-CB 3.78Å; E102-K166 HydrophobicContact CG-CD 4.12Å; E102-K166 HydrophobicContact CG-CG 3.73Å; E102-K166 WeakPolarHBondContact OE1-CD 3.33Å; E102-K166 WeakPolarHBondContact OE1-CE 3.39Å; E102-K166 IonicContact OE1-NZ 3.56Å; E102-K166 PolarHBondContact OE1-NZ 2.87Å
103F98.7Very high95.3Very high0 Ų043.3 Ų43.30%026%0.255CS..EExtended strand (participates in β ladder)trans-150.9170.8171.767.9-90.5000110.6F71 A75 V93 W96 L105 M165F71-F103 AromaticContact CD1-CD1 3.84Å; F71-F103 HydrophobicContact CD1-CD1 3.84Å; F71-F103 AromaticContact CD1-CE1 3.87Å; F71-F103 HydrophobicContact CD1-CE1 3.87Å; F71-F103 HydrophobicContact CD2-CE1 4.3Å; F71-F103 AromaticContact CE1-CD1 3.44Å; F71-F103 HydrophobicContact CE1-CD1 3.44Å; F71-F103 VanDerWaalsContact CE1-CD1 3.44Å; F71-F103 AromaticContact CE1-CE1 3.36Å; F71-F103 HydrophobicContact CE1-CE1 3.36Å; F71-F103 AromaticContact CE2-CE1 3.84Å; F71-F103 HydrophobicContact CE2-CE1 3.84Å; F71-F103 HydrophobicContact CG-CE1 4.31Å; F71-F103 AromaticContact CZ-CD1 3.93Å; F71-F103 HydrophobicContact CZ-CD1 3.93Å; F71-F103 AromaticContact CZ-CE1 3.36Å; F71-F103 HydrophobicContact CZ-CE1 3.36Å; F71-F103 HydrophobicContact CZ-CZ 4.35Å; A75-F103 HydrophobicContact CB-CD1 3.93Å; A75-F103 HydrophobicContact CB-CD2 3.93Å; A75-F103 HydrophobicContact CB-CE1 3.56Å; A75-F103 HydrophobicContact CB-CE2 3.56Å; A75-F103 HydrophobicContact CB-CG 4.1Å; A75-F103 HydrophobicContact CB-CZ 3.37Å; V93-F103 HydrophobicContact CG1-CB 4.32Å; V93-F103 HydrophobicContact CG1-CD2 3.8Å; V93-F103 HydrophobicContact CG1-CE2 4.44Å; V93-F103 HydrophobicContact CG1-CG 4.26Å; W96-F103 HydrophobicContact CD2-CB 3.68Å; W96-F103 HydrophobicContact CE3-CB 3.81Å; W96-F103 HydrophobicContact CG-CB 4.27Å; W96-F103 HydrophobicContact CH2-CB 3.86Å; W96-F103 AromaticContact CH2-CD1 3.37Å; W96-F103 HydrophobicContact CH2-CD1 3.37Å; W96-F103 HydrophobicContact CH2-CE1 4.1Å; W96-F103 AromaticContact CH2-CG 3.82Å; W96-F103 HydrophobicContact CH2-CG 3.82Å; W96-F103 HydrophobicContact CZ2-CB 3.75Å; W96-F103 AromaticContact CZ2-CD1 3.89Å; W96-F103 HydrophobicContact CZ2-CD1 3.89Å; W96-F103 AromaticContact CZ2-CG 3.86Å; W96-F103 HydrophobicContact CZ2-CG 3.86Å; W96-F103 HydrophobicContact CZ3-CB 3.9Å; W96-F103 AromaticContact CZ3-CD1 3.75Å; W96-F103 HydrophobicContact CZ3-CD1 3.75Å; W96-F103 HydrophobicContact CZ3-CG 4.22Å; F103-L105 HydrophobicContact CD2-CD2 4.42Å; F103-L105 HydrophobicContact CD2-CG 4.37Å; F103-L105 HydrophobicContact CE2-CD1 4.37Å; F103-L105 HydrophobicContact CE2-CD2 3.79Å; F103-L105 HydrophobicContact CE2-CG 3.77Å; F103-M165 HydrophobicContact CD1-CB 3.99Å; F103-M165 HydrophobicContact CD2-CB 4.2Å; F103-M165 HydrophobicContact CD2-CG 4.29Å; F103-M165 HydrophobicContact CE1-CB 3.67Å; F103-M165 HydrophobicContact CE1-CG 4.21Å; F103-M165 HydrophobicContact CE2-CB 3.89Å; F103-M165 HydrophobicContact CE2-CG 3.66Å; F103-M165 HydrophobicContact CG-CB 4.25Å; F103-M165 HydrophobicContact CZ-CB 3.6Å; F103-M165 HydrophobicContact CZ-CE 4.3Å; F103-M165 HydrophobicContact CZ-CG 3.6Å; F103-M165 PolarHBondContact N-O 3.31Å; F103-M165 PolarHBondContact O-N 2.71Å
104S98.6Very high94.8Very high0 Ų044.1 Ų44.10%026%0.258CS..EExtended strand (participates in β ladder)trans-118.4139.1177.1-62.50000111.2V93 T94 E162 I163 R164V93-S104 WeakPolarHBondContact CA-O 3.49Å; T94-S104 PolarHBondContact N-O 3.27Å; T94-S104 PolarHBondContact O-N 2.77Å; S104-E162 WeakPolarHBondContact CB-OE1 3.3Å; S104-E162 PolarHBondContact OG-OE1 3.16Å; S104-I163 WeakPolarHBondContact CA-O 3.08Å; S104-R164 WeakPolarHBondContact OG-CD 3.49Å; S104-R164 PolarHBondContact OG-NH1 2.88Å
105L98.6Very high94.4Very high0 Ų050 Ų500%028%0.28CS..EExtended strand (participates in β ladder)trans-99.2116.9166.3-65.2170.1000108.1I78 A79 F83 P91 V93 F103 L107 L135 E162 I163 M165I78-L105 HydrophobicContact CG2-CD1 3.92Å; A79-L105 HydrophobicContact CB-CD2 4Å; F83-L105 HydrophobicContact CE2-CD1 3.88Å; F83-L105 HydrophobicContact CZ-CD1 4.37Å; P91-L105 HydrophobicContact CB-CB 4.26Å; P91-L105 HydrophobicContact CB-CD2 4.29Å; V93-L105 HydrophobicContact CG2-CD2 4Å; F103-L105 HydrophobicContact CD2-CD2 4.42Å; F103-L105 HydrophobicContact CD2-CG 4.37Å; F103-L105 HydrophobicContact CE2-CD1 4.37Å; F103-L105 HydrophobicContact CE2-CD2 3.79Å; F103-L105 HydrophobicContact CE2-CG 3.77Å; L105-L107 HydrophobicContact CB-CD1 4.14Å; L105-L135 HydrophobicContact CD1-CD1 4.3Å; L105-E162 WeakPolarHBondContact O-CA 3.32Å; L105-I163 HydrophobicContact CB-CB 4.31Å; L105-I163 PolarHBondContact N-O 3.15Å; L105-I163 PolarHBondContact O-N 2.87Å; L105-M165 HydrophobicContact CD1-CG 4.21Å; L105-M165 HydrophobicContact CG-CG 4.45Å
106I98.3Very high94.3Very high25 Ų2547.1 Ų47.113%0.12827%0.265CS..EExtended strand (participates in β ladder)trans-97.5114.9176.3-49.7-56.4000108.8P91 S92 T94 V160 E162P91-I106 CarbonylContact C-O 3.23Å; P91-I106 VanDerWaalsContact CA-O 3.23Å; P91-I106 WeakPolarHBondContact CA-O 3.49Å; P91-I106 WeakPolarHBondContact CB-O 3.24Å; S92-I106 PolarHBondContact N-O 3.19Å; S92-I106 PolarHBondContact O-N 3.32Å; T94-I106 HydrophobicContact CG2-CG1 4.23Å; T94-I106 WeakPolarHBondContact OG1-CG1 3.43Å; I106-V160 HydrophobicContact CG2-CB 4.04Å; I106-V160 HydrophobicContact CG2-CG1 4.23Å; I106-V160 HydrophobicContact CG2-CG2 4.25Å; I106-E162 HydrophobicContact CD1-CB 3.91Å; I106-E162 HydrophobicContact CD1-CG 3.7Å
107L96.6Very high94Very high3 Ų352.6 Ų52.62%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-96.4103.6176.1-73.970.3000107.7F83 I89 P91 L105 N109 N110 L131 T161 I163F83-L107 HydrophobicContact CE1-CD2 4.14Å; I89-L107 HydrophobicContact CD1-CD2 4.01Å; I89-L107 HydrophobicContact CD1-CG 4.12Å; P91-L107 HydrophobicContact CB-CD1 4.13Å; P91-L107 HydrophobicContact CB-CG 4.4Å; P91-L107 HydrophobicContact CG-CD1 4.15Å; P91-L107 HydrophobicContact CG-CG 4.14Å; L105-L107 HydrophobicContact CB-CD1 4.14Å; L107-N109 VanDerWaalsContact C-N 3.31Å; L107-N110 HydrophobicContact CD2-CB 4.38Å; L107-L131 HydrophobicContact CD2-CD1 4.29Å; L107-T161 HydrophobicContact CB-CG2 4.06Å; L107-T161 HydrophobicContact CD2-CG2 4.34Å; L107-T161 PolarHBondContact N-O 2.85Å; L107-I163 HydrophobicContact CD1-CD1 4.05Å; L107-I163 HydrophobicContact CD1-CG1 4.29Å; L107-I163 HydrophobicContact CD2-CD1 4.48Å
108E89.6Confident93.8Very high173 Ų17353.1 Ų53.181%0.80830%0.295SS*.SBendtrans-68.6-34.2174.4-65.9-178.1-179.300111.9
109N87.6Confident93.5Very high87 Ų8749.5 Ų49.547%0.46527%0.272SS..  trans-131.6127.2171.9-175.9-11.6000108.3I89 L107 P111I89-N109 WeakPolarHBondContact CD1-O 3.32Å; L107-N109 VanDerWaalsContact C-N 3.31Å; N109-P111 WeakPolarHBondContact O-CD 3.36Å
110N91.8Very high93.2Very high8 Ų854 Ų544%0.04328%0.28CS..  trans-109.5101.3174.7177.910.6000109.8L107 L112 A113 S128L107-N110 HydrophobicContact CD2-CB 4.38Å; N110-L112 PolarHBondContact O-N 3.03Å; N110-L112 WeakPolarHBondContact OD1-CB 3.25Å; N110-L112 PolarHBondContact OD1-N 3.5Å; N110-A113 HydrophobicContact CB-CB 4.21Å; N110-A113 PolarHBondContact O-N 3.42Å; N110-S128 PolarHBondContact ND2-OG 2.91Å
111P91.7Very high93Very high13 Ų1358.8 Ų58.88%0.08430%0.301CS..G310 helixtrans-59.9-23.6-176.6-24.132.7000114.4T20 I89 N109 A113T20-P111 WeakPolarHBondContact CG2-O 3.37Å; T20-P111 PolarHBondContact OG1-O 3.26Å; I89-P111 HydrophobicContact CG2-CG 3.64Å; N109-P111 WeakPolarHBondContact O-CD 3.36Å; P111-A113 VanDerWaalsContact C-N 3.29Å
112L92.1Very high92.7Very high0 Ų057.7 Ų57.70%029%0.294CS..G310 helixtrans-69.5-31.9176.6-65.2-176.7000111.8F19 Y23 N110 Y127 L131F19-L112 HydrophobicContact CD1-CD2 3.87Å; F19-L112 HydrophobicContact CE1-CD2 3.28Å; F19-L112 HydrophobicContact CZ-CD2 3.89Å; Y23-L112 HydrophobicContact CD1-CB 4.01Å; Y23-L112 HydrophobicContact CD1-CD1 4.4Å; Y23-L112 HydrophobicContact CD1-CD2 4.07Å; Y23-L112 HydrophobicContact CD1-CG 4.4Å; Y23-L112 HydrophobicContact CE1-CB 4.17Å; Y23-L112 HydrophobicContact CE1-CD1 4.18Å; Y23-L112 HydrophobicContact CG-CD2 4.05Å; N110-L112 PolarHBondContact O-N 3.03Å; N110-L112 WeakPolarHBondContact OD1-CB 3.25Å; N110-L112 PolarHBondContact OD1-N 3.5Å; L112-Y127 VanDerWaalsContact O-CE1 3.25Å; L112-Y127 WeakPolarHBondContact O-CE1 3.47Å; L112-L131 HydrophobicContact CD1-CD1 4.06Å; L112-L131 HydrophobicContact CD1-CD2 3.81Å; L112-L131 HydrophobicContact CD1-CG 3.83Å
113A91.1Very high92.3Very high14 Ų1459.5 Ų59.512%0.11631%0.311CS..G310 helixtrans-91.32.1-177.500000113N110 P111 F115 V116 L155N110-A113 HydrophobicContact CB-CB 4.21Å; N110-A113 PolarHBondContact O-N 3.42Å; P111-A113 VanDerWaalsContact C-N 3.29Å; A113-F115 PolarHBondContact O-N 3.33Å; A113-V116 WeakPolarHBondContact O-CB 3.42Å; A113-V116 PolarHBondContact O-N 3.24Å; A113-V116 VanDerWaalsContact O-N 3.11Å; A113-L155 HydrophobicContact CB-CD1 3.69Å; A113-L155 HydrophobicContact CB-CD2 4.2Å; A113-L155 HydrophobicContact CB-CG 4Å
114D88.6Confident92Very high54 Ų5462.8 Ų62.829%0.28933%0.331SS..THydrogen-bonded Turntrans-58.4128.3175-76.5-17.5000109.6T20 V116T20-D114 HydrophobicContact CG2-CB 4.08Å; T20-D114 WeakPolarHBondContact CG2-O 3.47Å; D114-V116 VanDerWaalsContact C-N 3.27Å; D114-V116 PolarHBondContact O-N 3.03Å
115F90.3Very high91.9Very high170 Ų17063 Ų6375%0.74633%0.332SS*.THydrogen-bonded Turntrans67.916.5-178.2-39-69.4000115.9A113A113-F115 PolarHBondContact O-N 3.33Å
116V94.3Very high91.9Very high35 Ų3564.5 Ų64.521%0.21234%0.34CS..  trans-99.8134.8179.7-1780000110.6A113 D114 Y127 L155A113-V116 WeakPolarHBondContact O-CB 3.42Å; A113-V116 PolarHBondContact O-N 3.24Å; A113-V116 VanDerWaalsContact O-N 3.11Å; D114-V116 VanDerWaalsContact C-N 3.27Å; D114-V116 PolarHBondContact O-N 3.03Å; V116-Y127 HydrophobicContact CG1-CD2 3.87Å; V116-Y127 HydrophobicContact CG1-CE1 4.38Å; V116-Y127 HydrophobicContact CG1-CE2 3.7Å; V116-Y127 HydrophobicContact CG1-CG 4.27Å; V116-Y127 HydrophobicContact CG2-CE1 3.83Å; V116-Y127 HydrophobicContact CG2-CE2 4.09Å; V116-Y127 WeakPolarHBondContact CG2-OH 3.23Å; V116-L155 HydrophobicContact CB-CD1 4.29Å; V116-L155 HydrophobicContact CB-CD2 4.09Å; V116-L155 HydrophobicContact CG1-CD1 3.92Å; V116-L155 HydrophobicContact CG1-CD2 4.17Å; V116-L155 VanDerWaalsContact O-CD2 3.26Å; V116-L155 WeakPolarHBondContact O-CD2 3.5Å
117E92.4Very high91.9Very high180 Ų18063.9 Ų63.984%0.84134%0.336SS*.  trans-128.1128.9165.3-172.9173.8-173.500107.4
118L91.9Very high91.9Very high28 Ų2863.8 Ų63.815%0.14734%0.336CS..  trans-81.6128179.5-71.2-179.7000110L125 Y127 L155 R156L118-L125 HydrophobicContact CD2-CD2 3.87Å; L118-Y127 HydrophobicContact CD2-CD2 4.23Å; L118-L155 HydrophobicContact CD1-CB 3.76Å; L118-L155 HydrophobicContact CG-CB 4.05Å; L118-R156 HydrophobicContact CD1-CG 4Å
119P89.9Confident92.3Very high69 Ų6956.4 Ų56.445%0.44830%0.302SS..  trans-62.4151.7170.2-24.436.1000112.2N121 H122P119-N121 WeakPolarHBondContact CB-OD1 3.44Å; P119-N121 PolarHBondContact O-N 2.97Å; P119-N121 VanDerWaalsContact O-N 3.07Å; P119-H122 PolarHBondContact O-N 3.47Å
120D87.7Confident92.9Very high162 Ų16252.9 Ų52.987%0.86628%0.283SS*.G310 helixtrans-55-31.2-179.8-67-30.3000113.5H122D120-H122 PolarHBondContact O-N 3.03Å
121N88.5Confident93.2Very high117 Ų11753.1 Ų53.163%0.62628%0.284SS*.G310 helixtrans-78.8-0.7179.267.8-58.1000114.1P119P119-N121 WeakPolarHBondContact CB-OD1 3.44Å; P119-N121 PolarHBondContact O-N 2.97Å; P119-N121 VanDerWaalsContact O-N 3.07Å
122H91.1Very high93.5Very high34 Ų3452.5 Ų52.516%0.15728%0.28CS..G310 helixtrans-119.735.7179.8-71.5-62.6000112.5D37 P119 D120 T124 L125D37-H122 IonicContact OD1-CE1 2.92Å; D37-H122 IonicContact OD1-CG 2.76Å; D37-H122 IonicContact OD1-ND1 3.55Å; D37-H122 PolarHBondContact OD1-ND1 2.71Å; D37-H122 VanDerWaalsContact OD2-C 3.27Å; D37-H122 VanDerWaalsContact OD2-CA 3.29Å; D37-H122 WeakPolarHBondContact OD2-CA 3.43Å; P119-H122 PolarHBondContact O-N 3.47Å; D120-H122 PolarHBondContact O-N 3.03Å; H122-T124 PolarHBondContact O-N 2.83Å; H122-L125 HydrophobicContact CB-CB 4.18Å; H122-L125 HydrophobicContact CB-CD2 4.44Å; H122-L125 WeakPolarHBondContact O-CB 3.43Å; H122-L125 PolarHBondContact O-N 3.45Å
123S88Confident93.8Very high77 Ų7752.5 Ų52.554%0.53828%0.28SS..THydrogen-bonded Turntrans-66.5-15.9-176.359.90000115.2R156S123-R156 PolarHBondContact O-NE 2.87Å; S123-R156 PolarHBondContact O-NH2 2.85Å
124T93.8Very high94.2Very high69 Ų6952.9 Ų52.942%0.42328%0.281SS..THydrogen-bonded Turntrans-104.3-5.2179570000113.1D37 N41 H122 I126D37-T124 WeakPolarHBondContact CB-OG1 3.35Å; D37-T124 PolarHBondContact OD2-N 2.89Å; D37-T124 VanDerWaalsContact OD2-N 3.14Å; D37-T124 PolarHBondContact OD2-OG1 3.2Å; N41-T124 PolarHBondContact ND2-O 3.05Å; H122-T124 PolarHBondContact O-N 2.83Å; T124-I126 PolarHBondContact O-N 2.97Å
125L96.7Very high94.7Very high4 Ų451 Ų512%0.02127%0.271CS..  trans-66126.6174.9-176.365000110V27 D37 V40 L118 H122 Y127V27-L125 HydrophobicContact CG1-CD2 4.11Å; D37-L125 HydrophobicContact CB-CB 4.39Å; D37-L125 PolarHBondContact OD2-N 3.24Å; V40-L125 HydrophobicContact CB-CD1 3.97Å; V40-L125 HydrophobicContact CG1-CD1 3.5Å; V40-L125 VanDerWaalsContact CG1-CD1 3.5Å; L118-L125 HydrophobicContact CD2-CD2 3.87Å; H122-L125 HydrophobicContact CB-CB 4.18Å; H122-L125 HydrophobicContact CB-CD2 4.44Å; H122-L125 WeakPolarHBondContact O-CB 3.43Å; H122-L125 PolarHBondContact O-N 3.45Å; L125-Y127 HydrophobicContact CD2-CD2 4.5Å; L125-Y127 PolarHBondContact O-N 3.43Å
126I97.6Very high95Very high32 Ų3245.7 Ų45.716%0.16425%0.246CC..  trans-9788.8169.4-57173.1000105.5N41 T124 S128 N129 F150N41-I126 PolarHBondContact OD1-N 3.24Å; T124-I126 PolarHBondContact O-N 2.97Å; I126-S128 PolarHBondContact O-N 2.75Å; I126-N129 HydrophobicContact CB-CB 3.89Å; I126-N129 HydrophobicContact CG2-CB 3.71Å; I126-N129 VanDerWaalsContact O-CB 3.32Å; I126-N129 WeakPolarHBondContact O-CB 3.46Å; I126-N129 PolarHBondContact O-N 3.38Å; I126-F150 HydrophobicContact CG2-CB 3.96Å; I126-F150 HydrophobicContact CG2-CD1 4.35Å; I126-F150 HydrophobicContact CG2-CD2 3.32Å; I126-F150 HydrophobicContact CG2-CE2 3.89Å; I126-F150 HydrophobicContact CG2-CG 3.61Å
127Y97.9Very high95.2Very high13 Ų1344 Ų445%0.05124%0.236CC..THydrogen-bonded Turntrans-54.6-36.5-169.4-177.3-91.9000112.3Y23 G24 V27 L112 V116 L118 L125 L155Y23-Y127 HydrophobicContact CD1-CD1 4.45Å; Y23-Y127 AromaticContact CD1-CE1 3.59Å; Y23-Y127 HydrophobicContact CD1-CE1 3.59Å; Y23-Y127 AromaticContact CD1-CZ 3.94Å; Y23-Y127 AromaticContact CE1-CD1 3.82Å; Y23-Y127 HydrophobicContact CE1-CD1 3.82Å; Y23-Y127 AromaticContact CE1-CE1 3.39Å; Y23-Y127 HydrophobicContact CE1-CE1 3.39Å; Y23-Y127 AromaticContact CE1-CZ 3.95Å; Y23-Y127 VanDerWaalsContact CE1-O 3.3Å; Y23-Y127 WeakPolarHBondContact CE1-O 3.25Å; Y23-Y127 VanDerWaalsContact CZ-O 3.3Å; Y23-Y127 PolarHBondContact OH-O 3.4Å; G24-Y127 WeakPolarHBondContact CA-OH 3.38Å; V27-Y127 HydrophobicContact CB-CD2 4.41Å; V27-Y127 HydrophobicContact CB-CE2 3.91Å; V27-Y127 HydrophobicContact CG1-CD2 3.81Å; V27-Y127 HydrophobicContact CG1-CE2 3.74Å; V27-Y127 HydrophobicContact CG2-CD2 4.36Å; V27-Y127 HydrophobicContact CG2-CE2 3.98Å; L112-Y127 VanDerWaalsContact O-CE1 3.25Å; L112-Y127 WeakPolarHBondContact O-CE1 3.47Å; V116-Y127 HydrophobicContact CG1-CD2 3.87Å; V116-Y127 HydrophobicContact CG1-CE1 4.38Å; V116-Y127 HydrophobicContact CG1-CE2 3.7Å; V116-Y127 HydrophobicContact CG1-CG 4.27Å; V116-Y127 HydrophobicContact CG2-CE1 3.83Å; V116-Y127 HydrophobicContact CG2-CE2 4.09Å; V116-Y127 WeakPolarHBondContact CG2-OH 3.23Å; L118-Y127 HydrophobicContact CD2-CD2 4.23Å; L125-Y127 HydrophobicContact CD2-CD2 4.5Å; L125-Y127 PolarHBondContact O-N 3.43Å; Y127-L155 HydrophobicContact CD1-CD1 3.89Å; Y127-L155 HydrophobicContact CG-CD1 3.76Å
128S97.8Very high95.5Very high0 Ų036.3 Ų36.30%020%0.203CC..THydrogen-bonded Turntrans-100.121.9-178.2-59.20000114.1N110 I126 L130 L131 F150N110-S128 PolarHBondContact ND2-OG 2.91Å; I126-S128 PolarHBondContact O-N 2.75Å; S128-L130 PolarHBondContact O-N 3.43Å; S128-L131 WeakPolarHBondContact O-CB 3.22Å; S128-L131 PolarHBondContact O-N 2.93Å; S128-F150 WeakPolarHBondContact O-CE2 3.3Å; S128-F150 WeakPolarHBondContact O-CZ 3.43Å
129N98.3Very high95.8Very high18 Ų1835.6 Ų35.610%0.09620%0.199CC..THydrogen-bonded Turntrans-62.6-16.7-175.4-149.831.9000113.9N41 L44 I126 L131 C132 G133N41-N129 PolarHBondContact O-ND2 3.03Å; L44-N129 HydrophobicContact CB-CB 4.09Å; L44-N129 HydrophobicContact CD1-CB 4.47Å; I126-N129 HydrophobicContact CB-CB 3.89Å; I126-N129 HydrophobicContact CG2-CB 3.71Å; I126-N129 VanDerWaalsContact O-CB 3.32Å; I126-N129 WeakPolarHBondContact O-CB 3.46Å; I126-N129 PolarHBondContact O-N 3.38Å; N129-L131 PolarHBondContact O-N 3.01Å; N129-C132 WeakPolarHBondContact O-CB 3.38Å; N129-C132 PolarHBondContact O-N 3.21Å; N129-C132 VanDerWaalsContact O-N 3.12Å; N129-C132 PolarHBondContact OD1-SG 3.41Å; N129-C132 VanDerWaalsContact OD1-SG 3.33Å; N129-G133 PolarHBondContact O-N 3.14Å
130L98.6Very high96.1Very high13 Ų1335.7 Ų35.77%0.06819%0.193CC..Hα-helixtrans-53.8-36.3169.3-174.5116.8000111.9Y23 L44 M47 G48 I51 S128 C132 G133 V134Y23-L130 HydrophobicContact CE2-CB 3.8Å; Y23-L130 HydrophobicContact CE2-CD1 4.11Å; Y23-L130 HydrophobicContact CE2-CD2 4.11Å; Y23-L130 HydrophobicContact CE2-CG 4.21Å; Y23-L130 WeakPolarHBondContact OH-CB 3.29Å; L44-L130 WeakPolarHBondContact O-CA 3.47Å; M47-L130 HydrophobicContact CB-CD1 4.11Å; G48-L130 WeakPolarHBondContact CA-O 3.25Å; I51-L130 HydrophobicContact CD1-CD1 4.05Å; S128-L130 PolarHBondContact O-N 3.43Å; L130-C132 VanDerWaalsContact C-N 3.34Å; L130-C132 PolarHBondContact O-N 3.44Å; L130-G133 PolarHBondContact O-N 3.42Å; L130-V134 HydrophobicContact CD2-CG2 4.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.35Å; L130-V134 PolarHBondContact O-N 3.07Å
131L98.3Very high96.5Very high13 Ų1332.4 Ų32.47%0.06817%0.174CC..Hα-helixtrans-63.4-37.7178.2-62.5-178.1000112.4L87 L107 L112 S128 N129 G133 V134 L135 I163L87-L131 HydrophobicContact CD1-CD2 3.84Å; L107-L131 HydrophobicContact CD2-CD1 4.29Å; L112-L131 HydrophobicContact CD1-CD1 4.06Å; L112-L131 HydrophobicContact CD1-CD2 3.81Å; L112-L131 HydrophobicContact CD1-CG 3.83Å; S128-L131 WeakPolarHBondContact O-CB 3.22Å; S128-L131 PolarHBondContact O-N 2.93Å; N129-L131 PolarHBondContact O-N 3.01Å; L131-G133 VanDerWaalsContact C-N 3.34Å; L131-G133 PolarHBondContact O-N 3.46Å; L131-V134 PolarHBondContact O-N 3.4Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.21Å; L131-I163 HydrophobicContact CB-CD1 4.22Å; L131-I163 HydrophobicContact CD1-CD1 4.3Å
132C98.6Very high96.8Very high0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-59.8-48175.2-64.40000110.8N129 L130 L135 R136 V148 F150N129-C132 WeakPolarHBondContact O-CB 3.38Å; N129-C132 PolarHBondContact O-N 3.21Å; N129-C132 VanDerWaalsContact O-N 3.12Å; N129-C132 PolarHBondContact OD1-SG 3.41Å; N129-C132 VanDerWaalsContact OD1-SG 3.33Å; L130-C132 VanDerWaalsContact C-N 3.34Å; L130-C132 PolarHBondContact O-N 3.44Å; C132-L135 PolarHBondContact O-N 3.42Å; C132-R136 VanDerWaalsContact O-CB 3.31Å; C132-R136 WeakPolarHBondContact O-CB 3.35Å; C132-R136 PolarHBondContact O-N 3.33Å; C132-V148 HydrophobicContact CB-CB 4.23Å; C132-V148 HydrophobicContact CB-CG1 3.96Å; C132-F150 WeakPolarHBondContact SG-CD2 3.48Å; C132-F150 WeakPolarHBondContact SG-CE2 3.31Å
133G98.7Very high96.9Very high0 Ų029.2 Ų29.20%016%0.158CC..Hα-helixtrans-57.2-51.117600000111.9D45 G48 Y49 N129 L130 L131 L135 R136 G137D45-G133 VanDerWaalsContact O-CA 3.25Å; D45-G133 WeakPolarHBondContact O-CA 3.4Å; D45-G133 VanDerWaalsContact OD1-CA 3.3Å; D45-G133 WeakPolarHBondContact OD1-CA 3.44Å; D45-G133 PolarHBondContact OD1-N 3.14Å; G48-G133 CarbonylContact O-C 3.46Å; Y49-G133 WeakPolarHBondContact CA-O 3.11Å; Y49-G133 PolarHBondContact N-O 3.07Å; N129-G133 PolarHBondContact O-N 3.14Å; L130-G133 PolarHBondContact O-N 3.42Å; L131-G133 VanDerWaalsContact C-N 3.34Å; L131-G133 PolarHBondContact O-N 3.46Å; G133-L135 VanDerWaalsContact C-N 3.34Å; G133-L135 PolarHBondContact O-N 3.29Å; G133-R136 PolarHBondContact O-N 3.45Å; G133-G137 PolarHBondContact O-N 2.77Å
134V98.8Very high97.3Very high23 Ų2326.4 Ų26.414%0.13914%0.137CC..Hα-helixtrans-56.7-48.1-178.8171.40000111.2G48 I51 G52 L55 L130 L131 R136 A138G48-V134 WeakPolarHBondContact O-CA 3.3Å; G48-V134 WeakPolarHBondContact O-CG2 3.29Å; G48-V134 PolarHBondContact O-N 2.93Å; I51-V134 HydrophobicContact CB-CG2 4.15Å; I51-V134 HydrophobicContact CG2-CG2 4Å; G52-V134 WeakPolarHBondContact CA-O 3.28Å; L55-V134 HydrophobicContact CD2-CG1 3.93Å; L130-V134 HydrophobicContact CD2-CG2 4.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.35Å; L130-V134 PolarHBondContact O-N 3.07Å; L131-V134 PolarHBondContact O-N 3.4Å; V134-R136 VanDerWaalsContact C-N 3.35Å; V134-R136 PolarHBondContact O-N 2.91Å; V134-A138 VanDerWaalsContact O-CB 3.24Å; V134-A138 WeakPolarHBondContact O-CB 3.39Å; V134-A138 PolarHBondContact O-N 2.85Å
135L98.6Very high97.4Very high15 Ų1523.9 Ų23.98%0.07912%0.123CC..Hα-helixtrans-61.3-45.3179.5-71.4166.9000111.4I78 F83 L105 L131 C132 G133 L139 V148 I163 M165I78-L135 HydrophobicContact CD1-CD2 4.46Å; I78-L135 HydrophobicContact CG2-CD2 3.71Å; F83-L135 HydrophobicContact CE2-CD1 4.47Å; F83-L135 HydrophobicContact CE2-CD2 4.1Å; F83-L135 HydrophobicContact CZ-CD1 4.44Å; L105-L135 HydrophobicContact CD1-CD1 4.3Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.21Å; C132-L135 PolarHBondContact O-N 3.42Å; G133-L135 VanDerWaalsContact C-N 3.34Å; G133-L135 PolarHBondContact O-N 3.29Å; L135-L139 WeakPolarHBondContact O-CB 3.25Å; L135-L139 WeakPolarHBondContact O-CD1 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.95Å; L135-V148 HydrophobicContact CB-CG1 4.32Å; L135-V148 HydrophobicContact CB-CG2 4.26Å; L135-V148 HydrophobicContact CD1-CG1 4.02Å; L135-I163 HydrophobicContact CD1-CG2 4.22Å; L135-M165 HydrophobicContact CB-CE 4.44Å; L135-M165 HydrophobicContact CB-SD 4.39Å; L135-M165 HydrophobicContact CD1-SD 3.91Å
136R98.6Very high97.5Very high58 Ų5824 Ų2422%0.21912%0.124CC..Hα-helixtrans-66.4-46.9-178-161.4165.647.275.912111.7D45 C132 G133 V134 L139 E140 V146 V148D45-R136 IonicContact OD1-CZ 2.72Å; D45-R136 IonicContact OD1-NE 3.25Å; D45-R136 IonicContact OD1-NH2 3.66Å; D45-R136 PolarHBondContact OD1-NH2 3.08Å; D45-R136 IonicContact OD2-CZ 3.62Å; D45-R136 IonicContact OD2-NH2 2.68Å; D45-R136 PolarHBondContact OD2-NH2 2.84Å; C132-R136 VanDerWaalsContact O-CB 3.31Å; C132-R136 WeakPolarHBondContact O-CB 3.35Å; C132-R136 PolarHBondContact O-N 3.33Å; G133-R136 PolarHBondContact O-N 3.45Å; V134-R136 VanDerWaalsContact C-N 3.35Å; V134-R136 PolarHBondContact O-N 2.91Å; R136-L139 PolarHBondContact O-N 2.76Å; R136-E140 WeakPolarHBondContact O-CB 3.45Å; R136-E140 PolarHBondContact O-N 2.92Å; R136-V146 HydrophobicContact CG-CG2 4.27Å; R136-V146 WeakPolarHBondContact CG-O 3.37Å; R136-V148 HydrophobicContact CB-CG2 4.16Å
137G98.3Very high97.5Very high0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-64.4-41.4177.200000113.1G133 M141G133-G137 PolarHBondContact O-N 2.77Å; G137-M141 WeakPolarHBondContact O-CG 3.39Å; G137-M141 PolarHBondContact O-N 3.39Å
138A98.1Very high97.6Very high18 Ų1825.6 Ų25.615%0.14913%0.134CC..Hα-helixtrans-66-42.2177.800000112.3I56 V134 M141I56-A138 HydrophobicContact CB-CB 4.19Å; I56-A138 HydrophobicContact CD1-CB 4.41Å; V134-A138 VanDerWaalsContact O-CB 3.24Å; V134-A138 WeakPolarHBondContact O-CB 3.39Å; V134-A138 PolarHBondContact O-N 2.85Å; A138-M141 PolarHBondContact O-N 3.44Å
139L97.5Very high97.6Very high12 Ų1230.9 Ų30.96%0.06316%0.157CC..Hα-helixtrans-72.3-31.6-179.4-71.8168.4000112.8T74 I78 L135 R136 M141 V142 Q143 M144 V146 M165T74-L139 HydrophobicContact CG2-CD2 3.57Å; I78-L139 HydrophobicContact CD1-CD1 4Å; I78-L139 HydrophobicContact CD1-CD2 4.23Å; L135-L139 WeakPolarHBondContact O-CB 3.25Å; L135-L139 WeakPolarHBondContact O-CD1 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.36Å; L135-L139 PolarHBondContact O-N 2.95Å; R136-L139 PolarHBondContact O-N 2.76Å; L139-M141 VanDerWaalsContact C-N 3.3Å; L139-M141 PolarHBondContact O-N 2.92Å; L139-V142 HydrophobicContact CD2-CG2 4.23Å; L139-V142 CarbonylContact O-C 3.57Å; L139-V142 VanDerWaalsContact O-CG2 3.22Å; L139-V142 WeakPolarHBondContact O-CG2 3.29Å; L139-V142 PolarHBondContact O-N 3.15Å; L139-V142 VanDerWaalsContact O-N 3.14Å; L139-Q143 PolarHBondContact O-N 3.35Å; L139-M144 CarbonylContact C-O 3.45Å; L139-M144 VanDerWaalsContact C-O 3.23Å; L139-M144 HydrophobicContact CB-CB 4.29Å; L139-M144 HydrophobicContact CD2-CE 3.56Å; L139-M144 PolarHBondContact O-N 2.91Å; L139-V146 HydrophobicContact CB-CG1 4.49Å; L139-V146 HydrophobicContact CB-CG2 4.05Å; L139-V146 HydrophobicContact CD1-CB 4.47Å; L139-V146 HydrophobicContact CD1-CG1 4.04Å; L139-V146 HydrophobicContact CD1-CG2 3.71Å; L139-M165 HydrophobicContact CD1-CE 3.43Å; L139-M165 VanDerWaalsContact CD1-CE 3.43Å
140E96.9Very high97.6Very high71 Ų7131.1 Ų31.133%0.33216%0.157SC..Hα-helixtrans-60.5-41.2174.2-169.6170.9108.100111.8Y49 R136 V142 Q143 M144 I171Y49-E140 PolarHBondContact OH-OE1 3.3Å; R136-E140 WeakPolarHBondContact O-CB 3.45Å; R136-E140 PolarHBondContact O-N 2.92Å; E140-V142 PolarHBondContact O-N 2.9Å; E140-Q143 WeakPolarHBondContact O-CA 3.36Å; E140-Q143 PolarHBondContact O-N 2.95Å; E140-M144 PolarHBondContact N-O 2.85Å; E140-I171 HydrophobicContact CG-CD1 3.63Å
141M95.3Very high97.5Very high94 Ų9433.1 Ų33.146%0.46318%0.175SC..THydrogen-bonded Turntrans-67.4-15.8177.9-65.2-56-67.900114.1V53 I56 G137 A138 L139V53-M141 HydrophobicContact CB-CG 4.22Å; V53-M141 HydrophobicContact CB-SD 4.47Å; V53-M141 HydrophobicContact CG1-CE 4.37Å; V53-M141 HydrophobicContact CG1-CG 4.11Å; V53-M141 HydrophobicContact CG1-SD 3.83Å; V53-M141 HydrophobicContact CG2-CG 4.13Å; V53-M141 HydrophobicContact CG2-SD 4.29Å; I56-M141 HydrophobicContact CG1-CB 4.4Å; I56-M141 HydrophobicContact CG2-CB 3.67Å; I56-M141 HydrophobicContact CG2-CG 3.9Å; G137-M141 WeakPolarHBondContact O-CG 3.39Å; G137-M141 PolarHBondContact O-N 3.39Å; A138-M141 PolarHBondContact O-N 3.44Å; L139-M141 VanDerWaalsContact C-N 3.3Å; L139-M141 PolarHBondContact O-N 2.92Å
142V94.5Very high97.4Very high40 Ų4035.4 Ų35.424%0.24219%0.185CC..THydrogen-bonded Turntrans-107.427.6170.2-63.60000111.8I56 L60 L139 E140 M144I56-V142 HydrophobicContact CD1-CG1 4.06Å; I56-V142 HydrophobicContact CG1-CG1 4.01Å; L60-V142 HydrophobicContact CD1-CG1 4.32Å; L139-V142 HydrophobicContact CD2-CG2 4.23Å; L139-V142 CarbonylContact O-C 3.57Å; L139-V142 VanDerWaalsContact O-CG2 3.22Å; L139-V142 WeakPolarHBondContact O-CG2 3.29Å; L139-V142 PolarHBondContact O-N 3.15Å; L139-V142 VanDerWaalsContact O-N 3.14Å; E140-V142 PolarHBondContact O-N 2.9Å; V142-M144 VanDerWaalsContact C-N 3.3Å; V142-M144 HydrophobicContact CG2-CE 3.58Å; V142-M144 PolarHBondContact O-N 2.86Å
143Q94.6Very high97.3Very high43 Ų4335.4 Ų35.420%0.20119%0.186CC..THydrogen-bonded Turntrans6527.8171-55.1161.7-15.200113.8R67 L139 E140 R170 I171 E173R67-Q143 VanDerWaalsContact CZ-OE1 3.24Å; L139-Q143 PolarHBondContact O-N 3.35Å; E140-Q143 WeakPolarHBondContact O-CA 3.36Å; E140-Q143 PolarHBondContact O-N 2.95Å; Q143-R170 WeakPolarHBondContact O-CA 3.37Å; Q143-I171 HydrophobicContact CB-CB 4.37Å; Q143-I171 PolarHBondContact O-N 3.39Å; Q143-E173 PolarHBondContact NE2-OE1 2.81Å
144M95.6Very high97Very high19 Ų1938.1 Ų38.19%0.09421%0.205CC..EExtended strand (participates in β ladder)trans-115.7105.9175.5-70.8-172.3-79.200110.2T74 L139 E140 V142 V146 F167T74-M144 HydrophobicContact CG2-CE 3.73Å; T74-M144 HydrophobicContact CG2-SD 4.25Å; L139-M144 CarbonylContact C-O 3.45Å; L139-M144 VanDerWaalsContact C-O 3.23Å; L139-M144 HydrophobicContact CB-CB 4.29Å; L139-M144 HydrophobicContact CD2-CE 3.56Å; L139-M144 PolarHBondContact O-N 2.91Å; E140-M144 PolarHBondContact N-O 2.85Å; V142-M144 VanDerWaalsContact C-N 3.3Å; V142-M144 HydrophobicContact CG2-CE 3.58Å; V142-M144 PolarHBondContact O-N 2.86Å; M144-V146 HydrophobicContact CB-CG1 4.45Å; M144-V146 PolarHBondContact O-N 3.46Å; M144-F167 HydrophobicContact CG-CE2 4.41Å
145A96.9Very high96.8Very high16 Ų1638.7 Ų38.713%0.13221%0.206CC..EExtended strand (participates in β ladder)trans-76.6122.5169.200000108.8I168 K169 I171A145-I168 HydrophobicContact CB-CB 4.27Å; A145-I168 WeakPolarHBondContact O-CB 3.37Å; A145-I168 PolarHBondContact O-N 2.8Å; A145-K169 HydrophobicContact CB-CG 3.87Å; A145-K169 WeakPolarHBondContact CB-O 3.48Å; A145-K169 PolarHBondContact N-O 2.57Å; A145-K169 PolarHBondContact O-N 2.74Å; A145-I171 HydrophobicContact CB-CD1 4.13Å; A145-I171 HydrophobicContact CB-CG1 3.96Å
146V98.2Very high96.5Very high7 Ų744 Ų444%0.04223%0.225CC..EExtended strand (participates in β ladder)trans-131.5150.2-179.3-60.70000111.5F71 R136 L139 M144 V148 M165 K166F71-V146 HydrophobicContact CE2-CG1 3.94Å; F71-V146 HydrophobicContact CZ-CG1 4.16Å; R136-V146 HydrophobicContact CG-CG2 4.27Å; R136-V146 WeakPolarHBondContact CG-O 3.37Å; L139-V146 HydrophobicContact CB-CG1 4.49Å; L139-V146 HydrophobicContact CB-CG2 4.05Å; L139-V146 HydrophobicContact CD1-CB 4.47Å; L139-V146 HydrophobicContact CD1-CG1 4.04Å; L139-V146 HydrophobicContact CD1-CG2 3.71Å; M144-V146 HydrophobicContact CB-CG1 4.45Å; M144-V146 PolarHBondContact O-N 3.46Å; V146-V148 HydrophobicContact CB-CG2 4.42Å; V146-V148 HydrophobicContact CG2-CG2 3.69Å; V146-M165 HydrophobicContact CG2-CE 4.47Å; V146-K166 CarbonylContact C-O 3.56Å; V146-K166 WeakPolarHBondContact CA-O 3.14Å; V146-K166 WeakPolarHBondContact CB-O 3.18Å
147D98.4Very high96.1Very high67 Ų6744.4 Ų44.436%0.35825%0.248SC..EExtended strand (participates in β ladder)trans-97.1134.8162.9-179.548.5000108.5K166 I168D147-K166 HydrophobicContact CB-CB 4.21Å; D147-K166 PolarHBondContact N-O 2.86Å; D147-K166 PolarHBondContact O-N 3.18Å; D147-I168 HydrophobicContact CB-CD1 4.09Å; D147-I168 HydrophobicContact CB-CG1 4.36Å
148V98.7Very high95.8Very high10 Ų1047.2 Ų47.26%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-136.5123.7-176.2-170.60000108.6C132 L135 R136 V146 I163 R164 M165C132-V148 HydrophobicContact CB-CB 4.23Å; C132-V148 HydrophobicContact CB-CG1 3.96Å; L135-V148 HydrophobicContact CB-CG1 4.32Å; L135-V148 HydrophobicContact CB-CG2 4.26Å; L135-V148 HydrophobicContact CD1-CG1 4.02Å; R136-V148 HydrophobicContact CB-CG2 4.16Å; V146-V148 HydrophobicContact CB-CG2 4.42Å; V146-V148 HydrophobicContact CG2-CG2 3.69Å; V148-I163 HydrophobicContact CG1-CG2 3.49Å; V148-I163 VanDerWaalsContact CG1-CG2 3.49Å; V148-R164 WeakPolarHBondContact CA-O 3.48Å; V148-M165 HydrophobicContact CB-SD 4.12Å; V148-M165 HydrophobicContact CG1-SD 3.51Å; V148-M165 VanDerWaalsContact CG1-SD 3.51Å; V148-M165 HydrophobicContact CG2-CE 3.96Å; V148-M165 HydrophobicContact CG2-SD 3.59Å; V148-M165 VanDerWaalsContact CG2-SD 3.59Å
149K98.1Very high95.5Very high111 Ų11154 Ų5448%0.48330%0.297SS..EExtended strand (participates in β ladder)trans-147.9152.3-178.664.6-174.9180-1750112.1I163 R164K149-I163 CarbonylContact O-C 3.54Å; K149-I163 WeakPolarHBondContact O-CA 3.38Å; K149-R164 HydrophobicContact CG-CB 4.06Å; K149-R164 PolarHBondContact N-O 3.13Å; K149-R164 PolarHBondContact O-N 3.44Å
150F98Very high95.3Very high24 Ų2455.6 Ų55.611%0.10531%0.307CS..EExtended strand (participates in β ladder)trans-72.3127.8165.2-79.2-101.9000109.6I126 S128 C132 T161 E162 I163I126-F150 HydrophobicContact CG2-CB 3.96Å; I126-F150 HydrophobicContact CG2-CD1 4.35Å; I126-F150 HydrophobicContact CG2-CD2 3.32Å; I126-F150 HydrophobicContact CG2-CE2 3.89Å; I126-F150 HydrophobicContact CG2-CG 3.61Å; S128-F150 WeakPolarHBondContact O-CE2 3.3Å; S128-F150 WeakPolarHBondContact O-CZ 3.43Å; C132-F150 WeakPolarHBondContact SG-CD2 3.48Å; C132-F150 WeakPolarHBondContact SG-CE2 3.31Å; F150-T161 HydrophobicContact CD1-CG2 4.09Å; F150-T161 HydrophobicContact CE1-CG2 3.57Å; F150-E162 WeakPolarHBondContact CA-O 3.45Å; F150-I163 HydrophobicContact CD1-CG1 4.22Å; F150-I163 HydrophobicContact CD2-CG1 4.49Å; F150-I163 HydrophobicContact CE1-CD1 4.31Å; F150-I163 HydrophobicContact CE1-CG1 3.89Å; F150-I163 HydrophobicContact CE2-CD1 4.27Å; F150-I163 HydrophobicContact CE2-CG1 4.16Å; F150-I163 HydrophobicContact CZ-CD1 3.86Å; F150-I163 HydrophobicContact CZ-CG1 3.84Å
151A97.1Very high95.3Very high54 Ų5452.3 Ų52.345%0.44629%0.292SS..EExtended strand (participates in β ladder)trans-99.1-34171.700000111.5E162 R164A151-E162 HydrophobicContact CB-CB 4.32Å; A151-E162 HydrophobicContact CB-CG 3.96Å; A151-E162 PolarHBondContact N-O 3.44Å; A151-R164 HydrophobicContact CB-CB 4.27Å
152Q96.7Very high95.4Very high61 Ų6148.8 Ų48.829%0.28527%0.274SS..EExtended strand (participates in β ladder)trans-139.4146.5175.4-56.6-165-80.400109.7D158 V160 E162Q152-D158 VanDerWaalsContact CA-OD2 3.3Å; Q152-D158 WeakPolarHBondContact CA-OD2 3.18Å; Q152-D158 HydrophobicContact CB-CB 3.84Å; Q152-V160 WeakPolarHBondContact CB-O 3.4Å; Q152-E162 HydrophobicContact CB-CB 3.83Å; Q152-E162 HydrophobicContact CG-CB 4.11Å; Q152-E162 PolarHBondContact N-O 2.97Å; Q152-E162 PolarHBondContact O-N 3.16Å; Q152-E162 PolarHBondContact OE1-OE2 2.51Å
153D95.4Very high95.6Very high1 Ų146.9 Ų46.91%0.00526%0.262CS..  trans-141.4121177.8-169.3-19.4000110.7L155 R156 G157 D158D153-L155 PolarHBondContact O-N 2.73Å; D153-L155 WeakPolarHBondContact OD1-CB 3.43Å; D153-L155 PolarHBondContact OD1-N 2.93Å; D153-R156 HydrophobicContact CB-CB 4.25Å; D153-R156 HydrophobicContact CB-CG 4.1Å; D153-R156 WeakPolarHBondContact O-CA 3.38Å; D153-R156 PolarHBondContact O-N 3.47Å; D153-G157 PolarHBondContact O-N 2.85Å; D153-D158 PolarHBondContact N-OD2 2.9Å; D153-D158 WeakPolarHBondContact O-CB 3.36Å; D153-D158 PolarHBondContact O-N 3.25Å
154S93.6Very high95.8Very high57 Ų5746.9 Ų46.940%0.39926%0.261SS..G310 helixtrans-62-28.217951.60000113R156 G157 D158 T161S154-R156 PolarHBondContact O-N 2.81Å; S154-G157 PolarHBondContact O-N 3.46Å; S154-D158 WeakPolarHBondContact CA-O 3.44Å; S154-T161 PolarHBondContact OG-OG1 3.25Å; S154-T161 VanDerWaalsContact OG-OG1 3.11Å
155L93.5Very high96Very high34 Ų3446 Ų4618%0.17826%0.256CS..G310 helixtrans-68.5-17.8174.2-68.9178.7000112.9A113 V116 L118 Y127 D153A113-L155 HydrophobicContact CB-CD1 3.69Å; A113-L155 HydrophobicContact CB-CD2 4.2Å; A113-L155 HydrophobicContact CB-CG 4Å; V116-L155 HydrophobicContact CB-CD1 4.29Å; V116-L155 HydrophobicContact CB-CD2 4.09Å; V116-L155 HydrophobicContact CG1-CD1 3.92Å; V116-L155 HydrophobicContact CG1-CD2 4.17Å; V116-L155 VanDerWaalsContact O-CD2 3.26Å; V116-L155 WeakPolarHBondContact O-CD2 3.5Å; L118-L155 HydrophobicContact CD1-CB 3.76Å; L118-L155 HydrophobicContact CG-CB 4.05Å; Y127-L155 HydrophobicContact CD1-CD1 3.89Å; Y127-L155 HydrophobicContact CG-CD1 3.76Å; D153-L155 PolarHBondContact O-N 2.73Å; D153-L155 WeakPolarHBondContact OD1-CB 3.43Å; D153-L155 PolarHBondContact OD1-N 2.93Å
156R92.1Very high96Very high126 Ų12649 Ų4948%0.47527%0.266SS..G310 helixtrans-101.910.3177.4-60.4176.666.6-149.4-2.9112.3L118 S123 D153 S154L118-R156 HydrophobicContact CD1-CG 4Å; S123-R156 PolarHBondContact O-NE 2.87Å; S123-R156 PolarHBondContact O-NH2 2.85Å; D153-R156 HydrophobicContact CB-CB 4.25Å; D153-R156 HydrophobicContact CB-CG 4.1Å; D153-R156 WeakPolarHBondContact O-CA 3.38Å; D153-R156 PolarHBondContact O-N 3.47Å; S154-R156 PolarHBondContact O-N 2.81Å
157G90.1Very high96Very high67 Ų6751.2 Ų51.269%0.69128%0.275SS*.THydrogen-bonded Turntrans91.87.1176.500000115.1D153 S154D153-G157 PolarHBondContact O-N 2.85Å; S154-G157 PolarHBondContact O-N 3.46Å
158D93.3Very high96Very high59 Ų5952.8 Ų52.832%0.31628%0.283SS..  trans-74.1159.7171.9-68-60.6000112.1Q152 D153 S154 V160Q152-D158 VanDerWaalsContact CA-OD2 3.3Å; Q152-D158 WeakPolarHBondContact CA-OD2 3.18Å; Q152-D158 HydrophobicContact CB-CB 3.84Å; D153-D158 PolarHBondContact N-OD2 2.9Å; D153-D158 WeakPolarHBondContact O-CB 3.36Å; D153-D158 PolarHBondContact O-N 3.25Å; S154-D158 WeakPolarHBondContact CA-O 3.44Å; D158-V160 VanDerWaalsContact C-N 3.31Å; D158-V160 PolarHBondContact O-N 2.96Å
159N90.9Very high95.8Very high160 Ų16058.5 Ų58.586%0.85631%0.307SS*.SBendtrans-71.4-26.2-178.9-65.4-38.1000113.6
160V93Very high95.6Very high46 Ų4659 Ų5928%0.27931%0.306SS..SBendtrans-143.6160.8-176.9-63.40000109.5I106 Q152 D158I106-V160 HydrophobicContact CG2-CB 4.04Å; I106-V160 HydrophobicContact CG2-CG1 4.23Å; I106-V160 HydrophobicContact CG2-CG2 4.25Å; Q152-V160 WeakPolarHBondContact CB-O 3.4Å; D158-V160 VanDerWaalsContact C-N 3.31Å; D158-V160 PolarHBondContact O-N 2.96Å
161T97.1Very high95.3Very high2 Ų260.7 Ų60.71%0.01232%0.315CS..EExtended strand (participates in β ladder)trans-91.4120.7165.6-67.50000109.2L107 F150 S154L107-T161 HydrophobicContact CB-CG2 4.06Å; L107-T161 HydrophobicContact CD2-CG2 4.34Å; L107-T161 PolarHBondContact N-O 2.85Å; F150-T161 HydrophobicContact CD1-CG2 4.09Å; F150-T161 HydrophobicContact CE1-CG2 3.57Å; S154-T161 PolarHBondContact OG-OG1 3.25Å; S154-T161 VanDerWaalsContact OG-OG1 3.11Å
162E98.3Very high94.8Very high20 Ų2066 Ų669%0.09333%0.331CS..EExtended strand (participates in β ladder)trans-121.6122.1-179.1178.9178.3-169.500110.8N95 S104 L105 I106 F150 A151 Q152N95-E162 PolarHBondContact ND2-OE1 2.78Å; S104-E162 WeakPolarHBondContact CB-OE1 3.3Å; S104-E162 PolarHBondContact OG-OE1 3.16Å; L105-E162 WeakPolarHBondContact O-CA 3.32Å; I106-E162 HydrophobicContact CD1-CB 3.91Å; I106-E162 HydrophobicContact CD1-CG 3.7Å; F150-E162 WeakPolarHBondContact CA-O 3.45Å; A151-E162 HydrophobicContact CB-CB 4.32Å; A151-E162 HydrophobicContact CB-CG 3.96Å; A151-E162 PolarHBondContact N-O 3.44Å; Q152-E162 HydrophobicContact CB-CB 3.83Å; Q152-E162 HydrophobicContact CG-CB 4.11Å; Q152-E162 PolarHBondContact N-O 2.97Å; Q152-E162 PolarHBondContact O-N 3.16Å; Q152-E162 PolarHBondContact OE1-OE2 2.51Å
163I98.6Very high93.4Very high0 Ų069.7 Ų69.70%035%0.348CS..EExtended strand (participates in β ladder)trans-103.8116.6169.1-58.3174.1000108.4S104 L105 L107 L131 L135 V148 K149 F150 M165S104-I163 WeakPolarHBondContact CA-O 3.08Å; L105-I163 HydrophobicContact CB-CB 4.31Å; L105-I163 PolarHBondContact N-O 3.15Å; L105-I163 PolarHBondContact O-N 2.87Å; L107-I163 HydrophobicContact CD1-CD1 4.05Å; L107-I163 HydrophobicContact CD1-CG1 4.29Å; L107-I163 HydrophobicContact CD2-CD1 4.48Å; L131-I163 HydrophobicContact CB-CD1 4.22Å; L131-I163 HydrophobicContact CD1-CD1 4.3Å; L135-I163 HydrophobicContact CD1-CG2 4.22Å; V148-I163 HydrophobicContact CG1-CG2 3.49Å; V148-I163 VanDerWaalsContact CG1-CG2 3.49Å; K149-I163 CarbonylContact O-C 3.54Å; K149-I163 WeakPolarHBondContact O-CA 3.38Å; F150-I163 HydrophobicContact CD1-CG1 4.22Å; F150-I163 HydrophobicContact CD2-CG1 4.49Å; F150-I163 HydrophobicContact CE1-CD1 4.31Å; F150-I163 HydrophobicContact CE1-CG1 3.89Å; F150-I163 HydrophobicContact CE2-CD1 4.27Å; F150-I163 HydrophobicContact CE2-CG1 4.16Å; F150-I163 HydrophobicContact CZ-CD1 3.86Å; F150-I163 HydrophobicContact CZ-CG1 3.84Å; I163-M165 HydrophobicContact CG2-SD 4.37Å
164R98.6Very high91.5Very high44 Ų4476.8 Ų76.817%0.16639%0.386CS..EExtended strand (participates in β ladder)trans-86.7125.8175.3-171.469.1176.2-179.61.3109.8N95 E102 S104 V148 K149 A151N95-R164 PolarHBondContact O-NH1 3.2Å; E102-R164 IonicContact OE2-CZ 3.47Å; E102-R164 IonicContact OE2-NE 3.62Å; E102-R164 PolarHBondContact OE2-NE 2.96Å; E102-R164 IonicContact OE2-NH2 2.81Å; E102-R164 PolarHBondContact OE2-NH2 2.65Å; S104-R164 WeakPolarHBondContact OG-CD 3.49Å; S104-R164 PolarHBondContact OG-NH1 2.88Å; V148-R164 WeakPolarHBondContact CA-O 3.48Å; K149-R164 HydrophobicContact CG-CB 4.06Å; K149-R164 PolarHBondContact N-O 3.13Å; K149-R164 PolarHBondContact O-N 3.44Å; A151-R164 HydrophobicContact CB-CB 4.27Å
165M98.6Very high89.8Confident0 Ų080.8 Ų80.80%040%0.401CS..EExtended strand (participates in β ladder)trans-111129.6178.5-63.3-74.5-62.300109.1F71 I78 E102 F103 L105 L135 L139 V146 V148 I163F71-M165 HydrophobicContact CZ-CB 4.24Å; I78-M165 HydrophobicContact CD1-CE 4.2Å; E102-M165 CarbonylContact C-O 3.51Å; E102-M165 WeakPolarHBondContact CA-O 3.46Å; F103-M165 HydrophobicContact CD1-CB 3.99Å; F103-M165 HydrophobicContact CD2-CB 4.2Å; F103-M165 HydrophobicContact CD2-CG 4.29Å; F103-M165 HydrophobicContact CE1-CB 3.67Å; F103-M165 HydrophobicContact CE1-CG 4.21Å; F103-M165 HydrophobicContact CE2-CB 3.89Å; F103-M165 HydrophobicContact CE2-CG 3.66Å; F103-M165 HydrophobicContact CG-CB 4.25Å; F103-M165 HydrophobicContact CZ-CB 3.6Å; F103-M165 HydrophobicContact CZ-CE 4.3Å; F103-M165 HydrophobicContact CZ-CG 3.6Å; F103-M165 PolarHBondContact N-O 3.31Å; F103-M165 PolarHBondContact O-N 2.71Å; L105-M165 HydrophobicContact CD1-CG 4.21Å; L105-M165 HydrophobicContact CG-CG 4.45Å; L135-M165 HydrophobicContact CB-CE 4.44Å; L135-M165 HydrophobicContact CB-SD 4.39Å; L135-M165 HydrophobicContact CD1-SD 3.91Å; L139-M165 HydrophobicContact CD1-CE 3.43Å; L139-M165 VanDerWaalsContact CD1-CE 3.43Å; V146-M165 HydrophobicContact CG2-CE 4.47Å; V148-M165 HydrophobicContact CB-SD 4.12Å; V148-M165 HydrophobicContact CG1-SD 3.51Å; V148-M165 VanDerWaalsContact CG1-SD 3.51Å; V148-M165 HydrophobicContact CG2-CE 3.96Å; V148-M165 HydrophobicContact CG2-SD 3.59Å; V148-M165 VanDerWaalsContact CG2-SD 3.59Å; I163-M165 HydrophobicContact CG2-SD 4.37Å
166K98.4Very high87.9Confident78 Ų7884.5 Ų84.534%0.33943%0.428SS..EExtended strand (participates in β ladder)trans-129.1124.9174.8171.4172.4-162142.80110.9D101 E102 V146 D147D101-K166 CarbonylContact O-C 3.53Å; D101-K166 WeakPolarHBondContact O-CA 3.21Å; E102-K166 HydrophobicContact CG-CB 3.78Å; E102-K166 HydrophobicContact CG-CD 4.12Å; E102-K166 HydrophobicContact CG-CG 3.73Å; E102-K166 WeakPolarHBondContact OE1-CD 3.33Å; E102-K166 WeakPolarHBondContact OE1-CE 3.39Å; E102-K166 IonicContact OE1-NZ 3.56Å; E102-K166 PolarHBondContact OE1-NZ 2.87Å; V146-K166 CarbonylContact C-O 3.56Å; V146-K166 WeakPolarHBondContact CA-O 3.14Å; V146-K166 WeakPolarHBondContact CB-O 3.18Å; D147-K166 HydrophobicContact CB-CB 4.21Å; D147-K166 PolarHBondContact N-O 2.86Å; D147-K166 PolarHBondContact O-N 3.18Å
167F97.9Very high86.3Confident54 Ų5483.8 Ų83.824%0.23745%0.449CS..EExtended strand (participates in β ladder)trans-71.5128168.7178.2-100.1000110.2F71 D101 M144 R170F71-F167 HydrophobicContact CD1-CB 3.82Å; F71-F167 HydrophobicContact CD2-CB 4.33Å; F71-F167 HydrophobicContact CD2-CD2 4.47Å; F71-F167 HydrophobicContact CE1-CB 3.73Å; F71-F167 HydrophobicContact CE2-CB 4.27Å; F71-F167 HydrophobicContact CG-CB 4.12Å; F71-F167 HydrophobicContact CZ-CB 3.97Å; D101-F167 HydrophobicContact CB-CB 4.35Å; D101-F167 WeakPolarHBondContact O-CB 3.27Å; D101-F167 PolarHBondContact O-N 3.02Å; M144-F167 HydrophobicContact CG-CE2 4.41Å; F167-R170 HydrophobicContact CE2-CG 4.15Å; F167-R170 HydrophobicContact CZ-CG 3.79Å
168I97.2Very high84.7Confident101 Ų10183.6 Ų83.652%0.51845%0.447SS..EExtended strand (participates in β ladder)trans-99.6-57.8178.5-55.5173.1000109.4A145 D147A145-I168 HydrophobicContact CB-CB 4.27Å; A145-I168 WeakPolarHBondContact O-CB 3.37Å; A145-I168 PolarHBondContact O-N 2.8Å; D147-I168 HydrophobicContact CB-CD1 4.09Å; D147-I168 HydrophobicContact CB-CG1 4.36Å
169K95.5Very high82.5Confident129 Ų12990.6 Ų90.656%0.56148%0.477SS*.EExtended strand (participates in β ladder)trans-165.6162.1-178.460.9-179.8-178176.80111.2A145A145-K169 HydrophobicContact CB-CG 3.87Å; A145-K169 WeakPolarHBondContact CB-O 3.48Å; A145-K169 PolarHBondContact N-O 2.57Å; A145-K169 PolarHBondContact O-N 2.74Å
170R93.4Very high80.1Confident121 Ų12195.8 Ų95.846%0.45750%0.496SS..EExtended strand (participates in β ladder)trans-77.9138.5161.4-66.2-156.8177.6-164.4-1.4109Q69 Q143 F167Q69-R170 PolarHBondContact O-NH2 3.29Å; Q143-R170 WeakPolarHBondContact O-CA 3.37Å; F167-R170 HydrophobicContact CE2-CG 4.15Å; F167-R170 HydrophobicContact CZ-CG 3.79Å
171I92.7Very high79.5Confident60 Ų6098.3 Ų98.331%0.30851%0.507SS..PPolyproline II helixtrans-85.6122.2175.7-56.4173.4000106.8E140 Q143 A145E140-I171 HydrophobicContact CG-CD1 3.63Å; Q143-I171 HydrophobicContact CB-CB 4.37Å; Q143-I171 PolarHBondContact O-N 3.39Å; A145-I171 HydrophobicContact CB-CD1 4.13Å; A145-I171 HydrophobicContact CB-CG1 3.96Å
172E86Confident78.5Confident167 Ų167103.3 Ų103.378%0.7853%0.533SS*.PPolyproline II helixtrans-84.3126.4173.9-65.8177.1178.500108.4N174E172-N174 PolarHBondContact O-N 3.41Å; E172-N174 VanDerWaalsContact O-N 3.15Å
173E67.5Low77.5Confident138 Ų138107.9 Ų107.965%0.64556%0.558SS**  trans-72.6103.8166.9-74.7-179.6-173.400107.7Q143 I175Q143-E173 PolarHBondContact NE2-OE1 2.81Å; E173-I175 VanDerWaalsContact C-N 3.26Å; E173-I175 PolarHBondContact O-N 3.46Å
174N54.3Low76.2Confident149 Ų149114.3 Ų114.380%0.79759%0.591SS**  trans-68.693.4162.9-86.8-8.3000107.5E172 P176E172-N174 PolarHBondContact O-N 3.41Å; E172-N174 VanDerWaalsContact O-N 3.15Å; N174-P176 VanDerWaalsContact O-CD 3.29Å; N174-P176 WeakPolarHBondContact O-CD 3.5Å
175I58Low74.8Confident141 Ų141118.7 Ų118.772%0.72362%0.617SS**  trans-65.2117.2161.3-54.7174.4000105.3E173 A177E173-I175 VanDerWaalsContact C-N 3.26Å; E173-I175 PolarHBondContact O-N 3.46Å; I175-A177 PolarHBondContact O-N 2.97Å
176P55.2Low73.2Confident112 Ų112126.6 Ų126.673%0.72766%0.658SS**  trans-55.6128.4171.4-18.530.3000108.1N174 G178N174-P176 VanDerWaalsContact O-CD 3.29Å; N174-P176 WeakPolarHBondContact O-CD 3.5Å; P176-G178 PolarHBondContact O-N 3.2Å
177A58.1Low71.4Confident112 Ų112130.1 Ų130.193%0.92668%0.681SS**SBendtrans-62.9107.6177.200000109.3I175I175-A177 PolarHBondContact O-N 2.97Å
178G56.7Low69.4Low62 Ų62135.9 Ų135.964%0.63972%0.715SS**  trans117.5102.4162.200000114.8P176P176-G178 PolarHBondContact O-N 3.2Å
179E46.7Very low67.1Low206 Ų206138.8 Ų138.896%0.96373%0.732SS**  -142.686.3121.6-69.6-164.716800106.8
180E40.8Very low64.5Low269 Ų269139.7 Ų139.7100%1.25775%0.747SS**  trans-87.10147.9-81.6-169.817200108.4

Retrieved 180 of 180 residues in 119.3 ms (Link to these results)

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