A0A087XID7_POEFO Loading...

Layilin

AlphaFold DB , UniProt , Accession A0A087XID7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 367 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
1M56.2Low65.7Low213 Ų213110.5 Ų110.5100%1.04956%0.559SS**  0-16.10-71178.7-173.700113.2
2D71.1Confident65.3Low126 Ų126104.4 Ų104.467%0.67454%0.538SS*.Hα-helixtrans-76.4-27.1-179.3-70.3-44.7000116.2M4 R5 L6D2-M4 PolarHBondContact O-N 3.35Å; D2-R5 PolarHBondContact O-N 3.26Å; D2-L6 PolarHBondContact O-N 3.48Å
3F60.9Low64.9Low106 Ų106105.1 Ų105.147%0.46555%0.549SS..Hα-helixtrans-67.3-38.5-179.2-164.2-96.5000112.2R5 L6 F7 F250F3-R5 VanDerWaalsContact C-N 3.3Å; F3-R5 PolarHBondContact O-N 3.05Å; F3-L6 PolarHBondContact O-N 3.05Å; F3-F7 WeakPolarHBondContact O-CB 3.41Å; F3-F7 PolarHBondContact O-N 3.5Å; F3-F250 HydrophobicContact CD2-CE1 4.33Å; F3-F250 AromaticContact CE2-CD1 3.96Å; F3-F250 HydrophobicContact CE2-CD1 3.96Å; F3-F250 AromaticContact CE2-CE1 3.75Å; F3-F250 HydrophobicContact CE2-CE1 3.75Å; F3-F250 HydrophobicContact CE2-CZ 4.23Å
4M67.1Low64Low151 Ų151106.7 Ų106.774%0.74456%0.558SS**Hα-helixtrans-68.5-29.3174.9-66.5-63.1-119.100112.3D2 G8D2-M4 PolarHBondContact O-N 3.35Å; M4-G8 WeakPolarHBondContact O-CA 3.34Å; M4-G8 PolarHBondContact O-N 3.38Å
5R67Low63Low187 Ų187109.1 Ų109.171%0.70656%0.562SS**Hα-helixtrans-73.4-43.4173.1-73.3-172.3166.5-169.2-4.2111.7D2 F3 G8 T9D2-R5 PolarHBondContact O-N 3.26Å; F3-R5 VanDerWaalsContact C-N 3.3Å; F3-R5 PolarHBondContact O-N 3.05Å; R5-G8 PolarHBondContact O-N 3.27Å; R5-T9 WeakPolarHBondContact O-CG2 3.41Å; R5-T9 PolarHBondContact O-N 3.4Å; R5-T9 PolarHBondContact O-OG1 2.99Å; R5-T9 VanDerWaalsContact O-OG1 3.06Å
6L65.6Low61.7Low100 Ų100110.2 Ų110.252%0.52456%0.564SS.*Hα-helixtrans-64.3-45176.2-160.985.8000111.2D2 F3 T9 V10D2-L6 PolarHBondContact O-N 3.48Å; F3-L6 PolarHBondContact O-N 3.05Å; L6-T9 VanDerWaalsContact C-OG1 3.29Å; L6-T9 VanDerWaalsContact CA-OG1 3.26Å; L6-T9 WeakPolarHBondContact CA-OG1 3Å; L6-T9 PolarHBondContact O-N 3.36Å; L6-T9 PolarHBondContact O-OG1 3.32Å; L6-V10 WeakPolarHBondContact O-CB 3.41Å; L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 2.93Å; L6-V10 PolarHBondContact O-N 3Å
7F67.1Low60.7Low80 Ų80111.3 Ų111.335%0.35158%0.58SS.*Hα-helixtrans-66.6-39.8176.7-162.6-101000111.3F3 T9 V10 I11 L243F3-F7 WeakPolarHBondContact O-CB 3.41Å; F3-F7 PolarHBondContact O-N 3.5Å; F7-T9 PolarHBondContact O-N 3.45Å; F7-V10 PolarHBondContact O-N 2.94Å; F7-I11 HydrophobicContact CD1-CD1 3.7Å; F7-I11 HydrophobicContact CD1-CG1 4.24Å; F7-I11 HydrophobicContact CE1-CD1 3.24Å; F7-I11 HydrophobicContact CE1-CG1 4.05Å; F7-I11 HydrophobicContact CZ-CD1 3.9Å; F7-I11 HydrophobicContact CZ-CG1 4.45Å; F7-I11 WeakPolarHBondContact O-CB 3.3Å; F7-I11 WeakPolarHBondContact O-CG1 3.38Å; F7-I11 PolarHBondContact O-N 3.46Å; F7-L243 HydrophobicContact CE2-CD2 3.96Å; F7-L243 HydrophobicContact CZ-CD2 3.57Å
8G67.8Low60Low38 Ų38108.5 Ų108.539%0.39258%0.583SS.*Hα-helixtrans-60.8-39.5170.400000113M4 R5 A12M4-G8 WeakPolarHBondContact O-CA 3.34Å; M4-G8 PolarHBondContact O-N 3.38Å; R5-G8 PolarHBondContact O-N 3.27Å; G8-A12 WeakPolarHBondContact O-CB 3.15Å; G8-A12 PolarHBondContact O-N 2.91Å
9T68.3Low59.1Low78 Ų78107.4 Ų107.448%0.47958%0.584SS.*Hα-helixtrans-72.2-34.7174.847.70000113R5 L6 F7 A12 V13R5-T9 WeakPolarHBondContact O-CG2 3.41Å; R5-T9 PolarHBondContact O-N 3.4Å; R5-T9 PolarHBondContact O-OG1 2.99Å; R5-T9 VanDerWaalsContact O-OG1 3.06Å; L6-T9 VanDerWaalsContact C-OG1 3.29Å; L6-T9 VanDerWaalsContact CA-OG1 3.26Å; L6-T9 WeakPolarHBondContact CA-OG1 3Å; L6-T9 PolarHBondContact O-N 3.36Å; L6-T9 PolarHBondContact O-OG1 3.32Å; F7-T9 PolarHBondContact O-N 3.45Å; T9-A12 PolarHBondContact O-N 3.49Å; T9-V13 WeakPolarHBondContact O-CB 3.43Å; T9-V13 WeakPolarHBondContact O-CG2 3.17Å; T9-V13 PolarHBondContact O-N 2.94Å
10V66.8Low58.5Low68 Ų68106.6 Ų106.641%0.41259%0.592SS.*Hα-helixtrans-72.8-42.8177.6170.40000110.6L6 F7 A12 V13 L14L6-V10 WeakPolarHBondContact O-CB 3.41Å; L6-V10 VanDerWaalsContact O-CG2 3.28Å; L6-V10 WeakPolarHBondContact O-CG2 2.93Å; L6-V10 PolarHBondContact O-N 3Å; F7-V10 PolarHBondContact O-N 2.94Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-V13 PolarHBondContact O-N 3.27Å; V10-L14 HydrophobicContact CG1-CD1 3.64Å; V10-L14 HydrophobicContact CG1-CG 4.27Å; V10-L14 VanDerWaalsContact O-CB 3.28Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 WeakPolarHBondContact O-CG 3.33Å; V10-L14 PolarHBondContact O-N 3.31Å
11I65.3Low58Low69 Ų69103.1 Ų103.135%0.35458%0.575SS.*Hα-helixtrans-63.6-41.1170.2-72.6-171.7000110.1F7 V13 L14 F15F7-I11 HydrophobicContact CD1-CD1 3.7Å; F7-I11 HydrophobicContact CD1-CG1 4.24Å; F7-I11 HydrophobicContact CE1-CD1 3.24Å; F7-I11 HydrophobicContact CE1-CG1 4.05Å; F7-I11 HydrophobicContact CZ-CD1 3.9Å; F7-I11 HydrophobicContact CZ-CG1 4.45Å; F7-I11 WeakPolarHBondContact O-CB 3.3Å; F7-I11 WeakPolarHBondContact O-CG1 3.38Å; F7-I11 PolarHBondContact O-N 3.46Å; I11-V13 PolarHBondContact O-N 3.37Å; I11-L14 PolarHBondContact O-N 3.44Å; I11-F15 HydrophobicContact CB-CD2 4.24Å; I11-F15 HydrophobicContact CG2-CD2 3.61Å; I11-F15 HydrophobicContact CG2-CE2 4.2Å; I11-F15 HydrophobicContact CG2-CG 4.41Å; I11-F15 WeakPolarHBondContact O-CA 3.21Å; I11-F15 VanDerWaalsContact O-CB 3.23Å; I11-F15 WeakPolarHBondContact O-CB 3.34Å; I11-F15 WeakPolarHBondContact O-CD2 3.43Å; I11-F15 PolarHBondContact O-N 3.37Å
12A60.2Low57.6Low37 Ų37101.1 Ų101.131%0.30656%0.561SS.*Hα-helixtrans-58.7-49.4173.400000110.3G8 T9 V10 L14 F15 H16G8-A12 WeakPolarHBondContact O-CB 3.15Å; G8-A12 PolarHBondContact O-N 2.91Å; T9-A12 PolarHBondContact O-N 3.49Å; V10-A12 VanDerWaalsContact C-N 3.33Å; A12-L14 PolarHBondContact O-N 3.37Å; A12-F15 CarbonylContact O-C 3.53Å; A12-F15 PolarHBondContact O-N 2.92Å; A12-H16 VanDerWaalsContact C-ND1 3.28Å; A12-H16 WeakPolarHBondContact O-CA 3.37Å; A12-H16 VanDerWaalsContact O-CB 3.31Å; A12-H16 WeakPolarHBondContact O-CB 3.43Å; A12-H16 PolarHBondContact O-N 3.48Å; A12-H16 PolarHBondContact O-ND1 3.02Å
13V60.1Low57.3Low113 Ų11398.6 Ų98.669%0.68555%0.547SS*.Hα-helixtrans-65.3-36.5179.5171.20000112.9T9 V10 I11T9-V13 WeakPolarHBondContact O-CB 3.43Å; T9-V13 WeakPolarHBondContact O-CG2 3.17Å; T9-V13 PolarHBondContact O-N 2.94Å; V10-V13 PolarHBondContact O-N 3.27Å; I11-V13 PolarHBondContact O-N 3.37Å
14L52.9Low57.8Low128 Ų12895.6 Ų95.667%0.6754%0.535SS*.Hα-helixtrans-79-27.6179.3-69171.8000113.6V10 I11 A12V10-L14 HydrophobicContact CG1-CD1 3.64Å; V10-L14 HydrophobicContact CG1-CG 4.27Å; V10-L14 VanDerWaalsContact O-CB 3.28Å; V10-L14 WeakPolarHBondContact O-CB 3.38Å; V10-L14 WeakPolarHBondContact O-CG 3.33Å; V10-L14 PolarHBondContact O-N 3.31Å; I11-L14 PolarHBondContact O-N 3.44Å; A12-L14 PolarHBondContact O-N 3.37Å
15F49.6Very low57.9Low143 Ų14390.1 Ų90.163%0.62752%0.518SS*.Hα-helixtrans-114.613.7-179.8-65.3-88.1000113I11 A12 P17I11-F15 HydrophobicContact CB-CD2 4.24Å; I11-F15 HydrophobicContact CG2-CD2 3.61Å; I11-F15 HydrophobicContact CG2-CE2 4.2Å; I11-F15 HydrophobicContact CG2-CG 4.41Å; I11-F15 WeakPolarHBondContact O-CA 3.21Å; I11-F15 VanDerWaalsContact O-CB 3.23Å; I11-F15 WeakPolarHBondContact O-CB 3.34Å; I11-F15 WeakPolarHBondContact O-CD2 3.43Å; I11-F15 PolarHBondContact O-N 3.37Å; A12-F15 CarbonylContact O-C 3.53Å; A12-F15 PolarHBondContact O-N 2.92Å; F15-P17 VanDerWaalsContact O-CD 3.23Å; F15-P17 WeakPolarHBondContact O-CD 3.31Å
16H41.8Very low58.3Low126 Ų12686.4 Ų86.458%0.58351%0.509SS*.  trans-60.2122.9165.1-99.739.3000105.7A12 G18A12-H16 VanDerWaalsContact C-ND1 3.28Å; A12-H16 WeakPolarHBondContact O-CA 3.37Å; A12-H16 VanDerWaalsContact O-CB 3.31Å; A12-H16 WeakPolarHBondContact O-CB 3.43Å; A12-H16 PolarHBondContact O-N 3.48Å; A12-H16 PolarHBondContact O-ND1 3.02Å; H16-G18 PolarHBondContact O-N 3.41Å
17P44.8Very low59.3Low129 Ų12986.7 Ų86.784%0.83851%0.506SS*.SBendtrans-649.6172.2-16.430.5000113.2F15 S19F15-P17 VanDerWaalsContact O-CD 3.23Å; F15-P17 WeakPolarHBondContact O-CD 3.31Å; P17-S19 PolarHBondContact O-N 3.38Å
18G47.8Very low60.3Low61 Ų6184.7 Ų84.763%0.62950%0.498SS*.THydrogen-bonded Turntrans-102.164.2-167.500000113.1H16H16-G18 PolarHBondContact O-N 3.41Å
19S43Very low61.2Low88 Ų8884.4 Ų84.462%0.61549%0.49SS*.THydrogen-bonded Turntrans-16539.1134.4-124.50000111.9P17 S21 R48P17-S19 PolarHBondContact O-N 3.38Å; S19-S21 PolarHBondContact O-N 3.48Å; S19-R48 PolarHBondContact O-NH1 3.02Å; S19-R48 PolarHBondContact O-NH2 3.42Å; S19-R48 PolarHBondContact OG-NH1 3.31Å
20A46.6Very low61.5Low90 Ų9087.2 Ų87.274%0.74449%0.491SS*.SBendtrans-56.9117.3149.800000105.7K22A20-K22 PolarHBondContact O-N 3.04Å
21S47.3Very low61.7Low34 Ų3493 Ų9324%0.23851%0.506CS..  trans-55.2121.9176.1-127.70000104.7S19 I23 R48S19-S21 PolarHBondContact O-N 3.48Å; S21-I23 PolarHBondContact O-N 3.39Å; S21-R48 VanDerWaalsContact CA-NH2 3.28Å; S21-R48 PolarHBondContact OG-NE 2.76Å; S21-R48 PolarHBondContact OG-NH1 3.02Å; S21-R48 PolarHBondContact OG-NH2 2.98Å
22K49.1Very low62Low172 Ų17292.4 Ų92.475%0.74852%0.517SS*.  trans-6991.2173.1-164.8178.8-179.7178.30105.9A20 N24A20-K22 PolarHBondContact O-N 3.04Å; K22-N24 VanDerWaalsContact C-N 3.3Å; K22-N24 WeakPolarHBondContact CG-OD1 3.3Å; K22-N24 PolarHBondContact O-N 3Å
23I64Low62.4Low72 Ų7296.6 Ų96.637%0.36954%0.538SS..  trans-66.8100.6169.3-60.4178.1000104.2S21 G25 I43S21-I23 PolarHBondContact O-N 3.39Å; I23-G25 PolarHBondContact O-N 2.73Å; I23-I43 HydrophobicContact CG1-CD1 4.28Å; I23-I43 HydrophobicContact CG1-CG1 4.4Å
24N71.6Confident63.2Low43 Ų4395 Ų9523%0.2352%0.524CS..EExtended strand (participates in β ladder)trans-74.7119.7173.2-69.2-30.9000106.2K22 Y42K22-N24 VanDerWaalsContact C-N 3.3Å; K22-N24 WeakPolarHBondContact CG-OD1 3.3Å; K22-N24 PolarHBondContact O-N 3Å; N24-Y42 HydrophobicContact CB-CD1 4.11Å; N24-Y42 HydrophobicContact CB-CD2 4.28Å; N24-Y42 HydrophobicContact CB-CE1 3.51Å; N24-Y42 HydrophobicContact CB-CE2 3.72Å; N24-Y42 HydrophobicContact CB-CG 4.47Å; N24-Y42 WeakPolarHBondContact CB-OH 3.36Å; N24-Y42 PolarHBondContact N-O 3.05Å; N24-Y42 WeakPolarHBondContact O-CD1 3.44Å; N24-Y42 WeakPolarHBondContact O-CE1 3.38Å; N24-Y42 PolarHBondContact O-N 2.97Å
25G68.8Low64.5Low37 Ų3793 Ų9338%0.38151%0.507SS..EExtended strand (participates in β ladder)trans-145.1126.1177.400000110.5I23 A40I23-G25 PolarHBondContact O-N 2.73Å; G25-A40 VanDerWaalsContact CA-O 3.3Å; G25-A40 WeakPolarHBondContact CA-O 3.48Å
26Q76.9Confident66.4Low108 Ų10887.5 Ų87.551%0.50549%0.486SS..EExtended strand (participates in β ladder)trans-100.6136.7171.8-167.9171.72000108.4K39 F81 L85Q26-K39 WeakPolarHBondContact O-CA 3.28Å; Q26-F81 HydrophobicContact CB-CE2 4.12Å; Q26-F81 HydrophobicContact CB-CZ 4.11Å; Q26-F81 HydrophobicContact CG-CE2 4.37Å; Q26-F81 WeakPolarHBondContact O-CZ 3.17Å; Q26-L85 HydrophobicContact CB-CD2 3.76Å
27K85.6Confident68.9Low107 Ų10781.8 Ų81.847%0.46546%0.46SS..EExtended strand (participates in β ladder)trans-98.9130.5173.7-166.9170.8-173.5166.10109C37 Y38K27-C37 HydrophobicContact CD-CB 4.47Å; K27-C37 HydrophobicContact CG-CB 4.25Å; K27-Y38 CarbonylContact C-O 3.46Å; K27-Y38 VanDerWaalsContact CA-O 3.23Å; K27-Y38 WeakPolarHBondContact CA-O 3.28Å
28I88.3Confident71.3Confident38 Ų3876.1 Ų76.120%0.19542%0.422CS..EExtended strand (participates in β ladder)trans-118.6145.9169.971.6161.8000109C37 Y38 L77 F81I28-C37 CarbonylContact O-C 3.48Å; I28-C37 WeakPolarHBondContact O-CA 3.41Å; I28-C37 WeakPolarHBondContact O-CB 3.35Å; I28-Y38 HydrophobicContact CD1-CD2 4.45Å; I28-Y38 HydrophobicContact CG1-CD2 4.15Å; I28-Y38 PolarHBondContact N-O 3.38Å; I28-Y38 PolarHBondContact O-N 2.87Å; I28-L77 HydrophobicContact CD1-CD1 4.25Å; I28-L77 HydrophobicContact CD1-CG 4.31Å; I28-F81 HydrophobicContact CB-CD2 4.49Å; I28-F81 HydrophobicContact CB-CE2 4.5Å; I28-F81 HydrophobicContact CD1-CB 3.72Å; I28-F81 HydrophobicContact CD1-CD1 3.9Å; I28-F81 HydrophobicContact CD1-CD2 3.94Å; I28-F81 HydrophobicContact CD1-CG 3.55Å; I28-F81 HydrophobicContact CG1-CD1 4.04Å; I28-F81 HydrophobicContact CG1-CD2 4.22Å; I28-F81 HydrophobicContact CG1-CE1 4.24Å; I28-F81 HydrophobicContact CG1-CE2 4.46Å; I28-F81 HydrophobicContact CG1-CG 4.04Å; I28-F81 HydrophobicContact CG1-CZ 4.48Å; I28-F81 HydrophobicContact CG2-CD2 3.49Å; I28-F81 VanDerWaalsContact CG2-CD2 3.49Å; I28-F81 HydrophobicContact CG2-CE1 4.46Å; I28-F81 HydrophobicContact CG2-CE2 3.33Å; I28-F81 HydrophobicContact CG2-CG 4.19Å; I28-F81 HydrophobicContact CG2-CZ 3.87Å
29C87.1Confident73.5Confident31 Ų3174.8 Ų74.821%0.20940%0.399CS..EExtended strand (participates in β ladder)trans-120.1153.2172.4-59.30000109.1R31 G32 E34 C37C29-R31 PolarHBondContact O-N 2.94Å; C29-G32 WeakPolarHBondContact CB-O 3.11Å; C29-G32 PolarHBondContact O-N 3.39Å; C29-G32 VanDerWaalsContact O-N 3.08Å; C29-E34 WeakPolarHBondContact CB-O 3.43Å; C29-C37 HydrophobicContact CB-CB 3.97Å; C29-C37 WeakPolarHBondContact CB-SG 3.32Å; C29-C37 WeakPolarHBondContact SG-CB 3.42Å; C29-C37 CovalentContact SG-SG 2.04Å; C29-C37 PolarHBondContact SG-SG 3.49Å
30R73.9Confident76.1Confident137 Ų13770.6 Ų70.652%0.51737%0.37SS..EExtended strand (participates in β ladder)trans-55.9129.7171.6-168.8-179.3-178.8-168.90.3108.1G32 E34 P36R30-G32 PolarHBondContact O-N 3.39Å; R30-E34 HydrophobicContact CB-CB 4.3Å; R30-E34 WeakPolarHBondContact CB-O 3.25Å; R30-E34 PolarHBondContact N-O 3Å; R30-E34 CarbonylContact O-C 3.56Å; R30-E34 WeakPolarHBondContact O-CA 3.38Å; R30-E34 WeakPolarHBondContact O-CB 3.33Å; R30-E34 PolarHBondContact O-N 2.95Å; R30-E34 VanDerWaalsContact O-O 3.06Å; R30-P36 PolarHBondContact N-O 3.31Å
31R71.6Confident78.4Confident191 Ų19166.3 Ų66.372%0.72133%0.334SS*.THydrogen-bonded Turntrans4929.3-176.2-56.2-168.4-176136.2-12.9115.2C29 T33 E34C29-R31 PolarHBondContact O-N 2.94Å; R31-T33 PolarHBondContact O-N 2.92Å; R31-E34 HydrophobicContact CB-CG 4.26Å; R31-E34 VanDerWaalsContact CD-OE2 3.3Å; R31-E34 WeakPolarHBondContact CD-OE2 3.43Å; R31-E34 IonicContact CZ-OE2 3.42Å; R31-E34 IonicContact NE-OE2 3.73Å; R31-E34 IonicContact NH1-OE1 3.68Å; R31-E34 PolarHBondContact NH1-OE1 3.35Å; R31-E34 IonicContact NH1-OE2 3.82Å; R31-E34 PolarHBondContact NH1-OE2 3.44Å
32G70.6Confident80.6Confident56 Ų5667.1 Ų67.158%0.57733%0.332SS*.THydrogen-bonded Turntrans91.8-42.4174.500000115.2C29 R30C29-G32 WeakPolarHBondContact CB-O 3.11Å; C29-G32 PolarHBondContact O-N 3.39Å; C29-G32 VanDerWaalsContact O-N 3.08Å; R30-G32 PolarHBondContact O-N 3.39Å
33T69.8Low82.7Confident124 Ų12459.2 Ų59.276%0.76130%0.298SS*.THydrogen-bonded Turntrans-134-15.6179.1560000114.3R31R31-T33 PolarHBondContact O-N 2.92Å
34E76.4Confident83.8Confident81 Ų8163.7 Ų63.738%0.37932%0.318SS..EExtended strand (participates in β ladder)trans-69.8135.5178.7-57.6177.317300109.9C29 R30 R31C29-E34 WeakPolarHBondContact CB-O 3.43Å; R30-E34 HydrophobicContact CB-CB 4.3Å; R30-E34 WeakPolarHBondContact CB-O 3.25Å; R30-E34 PolarHBondContact N-O 3Å; R30-E34 CarbonylContact O-C 3.56Å; R30-E34 WeakPolarHBondContact O-CA 3.38Å; R30-E34 WeakPolarHBondContact O-CB 3.33Å; R30-E34 PolarHBondContact O-N 2.95Å; R30-E34 VanDerWaalsContact O-O 3.06Å; R31-E34 HydrophobicContact CB-CG 4.26Å; R31-E34 VanDerWaalsContact CD-OE2 3.3Å; R31-E34 WeakPolarHBondContact CD-OE2 3.43Å; R31-E34 IonicContact CZ-OE2 3.42Å; R31-E34 IonicContact NE-OE2 3.73Å; R31-E34 IonicContact NH1-OE1 3.68Å; R31-E34 PolarHBondContact NH1-OE1 3.35Å; R31-E34 IonicContact NH1-OE2 3.82Å; R31-E34 PolarHBondContact NH1-OE2 3.44Å
35R79.9Confident84.8Confident85 Ų8564.3 Ų64.332%0.32132%0.321SS..EExtended strand (participates in β ladder)trans-76.9153.9172.8-72-178.1176-163.515.8109.5K178 E179 E180R35-K178 WeakPolarHBondContact CD-O 3.44Å; R35-K178 PolarHBondContact NH1-O 2.83Å; R35-E179 HydrophobicContact CB-CB 4.07Å; R35-E179 HydrophobicContact CB-CG 4.43Å; R35-E179 VanDerWaalsContact CD-CA 3.41Å; R35-E180 IonicContact CZ-OE1 3.61Å; R35-E180 VanDerWaalsContact NH1-N 3.13Å; R35-E180 IonicContact NH1-OE1 2.74Å; R35-E180 PolarHBondContact NH1-OE1 3.44Å; R35-E180 VanDerWaalsContact NH1-OE1 3.09Å; R35-E180 IonicContact NH2-OE1 2.69Å; R35-E180 PolarHBondContact NH2-OE1 3.3Å
36P89.9Confident85.9Confident27 Ų2765.8 Ų65.818%0.17533%0.325CS..EExtended strand (participates in β ladder)cis-71.5147.72.131-37.2000113.4R30 Y38 K176 Y177R30-P36 PolarHBondContact N-O 3.31Å; P36-Y38 HydrophobicContact CB-CE1 4.45Å; P36-Y38 HydrophobicContact CG-CE1 4.47Å; P36-Y38 HydrophobicContact CG-CE2 4.2Å; P36-Y38 WeakPolarHBondContact CG-OH 3.49Å; P36-K176 HydrophobicContact CB-CD 4.41Å; P36-K176 HydrophobicContact CB-CG 3.99Å; P36-Y177 VanDerWaalsContact CA-O 3.23Å; P36-Y177 WeakPolarHBondContact CA-O 3.32Å
37C93.4Very high86.7Confident7 Ų769.4 Ų69.45%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-101158166-54.30000110.5K27 I28 C29 K176 Y177K27-C37 HydrophobicContact CD-CB 4.47Å; K27-C37 HydrophobicContact CG-CB 4.25Å; I28-C37 CarbonylContact O-C 3.48Å; I28-C37 WeakPolarHBondContact O-CA 3.41Å; I28-C37 WeakPolarHBondContact O-CB 3.35Å; C29-C37 HydrophobicContact CB-CB 3.97Å; C29-C37 WeakPolarHBondContact CB-SG 3.32Å; C29-C37 WeakPolarHBondContact SG-CB 3.42Å; C29-C37 CovalentContact SG-SG 2.04Å; C29-C37 PolarHBondContact SG-SG 3.49Å; C37-K176 CarbonylContact O-C 3.53Å; C37-K176 WeakPolarHBondContact O-CA 3.39Å; C37-Y177 HydrophobicContact CB-CD2 4.34Å; C37-Y177 PolarHBondContact N-O 2.91Å; C37-Y177 WeakPolarHBondContact O-CD2 3.28Å; C37-Y177 PolarHBondContact O-N 3.25Å
38Y95.3Very high87.1Confident9 Ų968.7 Ų68.74%0.03533%0.329CS..EExtended strand (participates in β ladder)trans-131.7145-178.4-50.3-82.5000110K27 I28 P36 L67 E74 L77 I78 C175 K176K27-Y38 CarbonylContact C-O 3.46Å; K27-Y38 VanDerWaalsContact CA-O 3.23Å; K27-Y38 WeakPolarHBondContact CA-O 3.28Å; I28-Y38 HydrophobicContact CD1-CD2 4.45Å; I28-Y38 HydrophobicContact CG1-CD2 4.15Å; I28-Y38 PolarHBondContact N-O 3.38Å; I28-Y38 PolarHBondContact O-N 2.87Å; P36-Y38 HydrophobicContact CB-CE1 4.45Å; P36-Y38 HydrophobicContact CG-CE1 4.47Å; P36-Y38 HydrophobicContact CG-CE2 4.2Å; P36-Y38 WeakPolarHBondContact CG-OH 3.49Å; Y38-L67 HydrophobicContact CD1-CD1 3.62Å; Y38-L67 HydrophobicContact CE1-CD1 3.67Å; Y38-E74 HydrophobicContact CE1-CG 4.44Å; Y38-E74 WeakPolarHBondContact CE1-OE1 3.2Å; Y38-E74 PolarHBondContact OH-OE1 2.83Å; Y38-L77 HydrophobicContact CD2-CD2 4.23Å; Y38-L77 HydrophobicContact CE2-CD2 3.68Å; Y38-I78 HydrophobicContact CD1-CD1 3.61Å; Y38-I78 HydrophobicContact CD2-CD1 4.17Å; Y38-I78 HydrophobicContact CE1-CD1 4.05Å; Y38-I78 HydrophobicContact CG-CD1 3.64Å; Y38-C175 CarbonylContact C-O 3.59Å; Y38-C175 WeakPolarHBondContact CA-O 3.38Å; Y38-K176 HydrophobicContact CD1-CB 4.07Å; Y38-K176 HydrophobicContact CD1-CG 3.98Å; Y38-K176 HydrophobicContact CE1-CB 4.21Å; Y38-K176 HydrophobicContact CE1-CD 3.84Å; Y38-K176 HydrophobicContact CE1-CG 3.67Å
39K95.4Very high87.5Confident33 Ų3368.7 Ų68.714%0.14333%0.327CS..EExtended strand (participates in β ladder)trans-134.6115.2172.6-177.3-173.9179.6-177.60108.7Q26 E62 V174 C175 Y177Q26-K39 WeakPolarHBondContact O-CA 3.28Å; K39-E62 IonicContact NZ-OE1 2.88Å; K39-E62 PolarHBondContact NZ-OE1 2.87Å; K39-E62 IonicContact NZ-OE2 3.88Å; K39-E62 PolarHBondContact NZ-OE2 2.93Å; K39-V174 WeakPolarHBondContact O-CA 3.49Å; K39-C175 PolarHBondContact N-O 3.38Å; K39-C175 PolarHBondContact O-N 3.19Å; K39-Y177 HydrophobicContact CB-CE2 3.72Å
40A95.9Very high88.1Confident0 Ų069 Ų690%033%0.326CS..EExtended strand (participates in β ladder)trans-91.9116.7171.900000108.2G25 F81 I82 L85 F92 V174G25-A40 VanDerWaalsContact CA-O 3.3Å; G25-A40 WeakPolarHBondContact CA-O 3.48Å; A40-F81 HydrophobicContact CB-CD1 4.3Å; A40-F81 HydrophobicContact CB-CE1 3.55Å; A40-F81 HydrophobicContact CB-CZ 4.08Å; A40-I82 HydrophobicContact CB-CG1 4.19Å; A40-L85 HydrophobicContact CB-CD1 3.8Å; A40-F92 HydrophobicContact CB-CE1 4.23Å; A40-V174 HydrophobicContact CB-CG1 4.48Å; A40-V174 HydrophobicContact CB-CG2 4.07Å
41S95.5Very high89.2Confident1 Ų164 Ų641%0.00731%0.311CS..EExtended strand (participates in β ladder)trans-102116.4-179.9-68.80000108.6N172 F173S41-N172 WeakPolarHBondContact O-CB 3.26Å; S41-F173 PolarHBondContact N-O 2.79Å; S41-F173 PolarHBondContact O-N 3.15Å; S41-F173 VanDerWaalsContact O-N 3.13Å
42Y93.7Very high90.5Very high50 Ų5055 Ų5520%0.19628%0.276CS..EExtended strand (participates in β ladder)trans-121.2140.8-178.967.2-83.9000111.6N24 L85 V87 N172N24-Y42 HydrophobicContact CB-CD1 4.11Å; N24-Y42 HydrophobicContact CB-CD2 4.28Å; N24-Y42 HydrophobicContact CB-CE1 3.51Å; N24-Y42 HydrophobicContact CB-CE2 3.72Å; N24-Y42 HydrophobicContact CB-CG 4.47Å; N24-Y42 WeakPolarHBondContact CB-OH 3.36Å; N24-Y42 PolarHBondContact N-O 3.05Å; N24-Y42 WeakPolarHBondContact O-CD1 3.44Å; N24-Y42 WeakPolarHBondContact O-CE1 3.38Å; N24-Y42 PolarHBondContact O-N 2.97Å; Y42-L85 HydrophobicContact CD1-CD1 4.37Å; Y42-L85 HydrophobicContact CE1-CD1 4.44Å; Y42-V87 HydrophobicContact CD1-CG1 3.55Å; Y42-V87 HydrophobicContact CD2-CB 4.21Å; Y42-V87 HydrophobicContact CD2-CG1 3.47Å; Y42-V87 VanDerWaalsContact CD2-CG1 3.47Å; Y42-V87 HydrophobicContact CE1-CG1 3.81Å; Y42-V87 HydrophobicContact CE2-CG1 3.72Å; Y42-V87 HydrophobicContact CG-CB 4.27Å; Y42-V87 HydrophobicContact CG-CG1 3.37Å; Y42-N172 WeakPolarHBondContact CA-OD1 3.23Å
43I92.2Very high91.8Very high6 Ų656 Ų563%0.03127%0.266CS..  trans-128.3116-173.5-56.5169.2000108.2I23 D45 R48 R49 L50 N172I23-I43 HydrophobicContact CG1-CD1 4.28Å; I23-I43 HydrophobicContact CG1-CG1 4.4Å; I43-D45 WeakPolarHBondContact CG2-O 3.23Å; I43-R48 HydrophobicContact CG2-CB 3.62Å; I43-R49 HydrophobicContact CB-CG 3.99Å; I43-R49 HydrophobicContact CG2-CG 4.47Å; I43-R49 PolarHBondContact O-NE 2.87Å; I43-L50 HydrophobicContact CD1-CG 4.41Å; I43-N172 PolarHBondContact N-OD1 2.88Å
44Q88.6Confident93.2Very high166 Ų16654.2 Ų54.278%0.77625%0.252SS*.SBendtrans-64.5-46.4-175.8-74.5178.8-10.200112.3S46Q44-S46 PolarHBondContact O-N 3.48Å
45D92Very high94.3Very high56 Ų5650.4 Ų50.430%0.29923%0.234SC..SBendtrans-76.4107.7174-178-8.1000109.4I43 R47 R48I43-D45 WeakPolarHBondContact CG2-O 3.23Å; D45-R47 PolarHBondContact O-N 3.18Å; D45-R47 VanDerWaalsContact O-N 3.11Å; D45-R47 WeakPolarHBondContact OD1-CB 3.31Å; D45-R47 WeakPolarHBondContact OD1-CG 3.36Å; D45-R47 IonicContact OD1-CZ 3.2Å; D45-R47 PolarHBondContact OD1-N 2.82Å; D45-R47 IonicContact OD1-NE 2.8Å; D45-R47 PolarHBondContact OD1-NE 2.82Å; D45-R47 IonicContact OD1-NH2 2.74Å; D45-R47 IonicContact OD2-CZ 3.77Å; D45-R47 IonicContact OD2-NE 3.87Å; D45-R47 PolarHBondContact OD2-NE 3.45Å; D45-R47 IonicContact OD2-NH2 3.65Å; D45-R47 PolarHBondContact OD2-NH2 3.22Å; D45-R48 HydrophobicContact CB-CB 4.37Å; D45-R48 HydrophobicContact CB-CG 3.65Å; D45-R48 WeakPolarHBondContact O-CB 3.22Å; D45-R48 PolarHBondContact O-N 3.06Å
46S91.9Very high95.1Very high68 Ų6848.4 Ų48.448%0.47623%0.227SC..G310 helixtrans-56.6-27.7-178.458.10000113.3Q44 R48 R49Q44-S46 PolarHBondContact O-N 3.48Å; S46-R48 PolarHBondContact O-N 2.87Å; S46-R49 WeakPolarHBondContact O-CB 3.44Å; S46-R49 PolarHBondContact O-N 3.19Å
47R93.2Very high95.6Very high185 Ų18552.5 Ų52.570%0.69824%0.243SC*.G310 helixtrans-69-25178.9-57.3172.5-63.2176.24.9112.8D45 K170D45-R47 PolarHBondContact O-N 3.18Å; D45-R47 VanDerWaalsContact O-N 3.11Å; D45-R47 WeakPolarHBondContact OD1-CB 3.31Å; D45-R47 WeakPolarHBondContact OD1-CG 3.36Å; D45-R47 IonicContact OD1-CZ 3.2Å; D45-R47 PolarHBondContact OD1-N 2.82Å; D45-R47 IonicContact OD1-NE 2.8Å; D45-R47 PolarHBondContact OD1-NE 2.82Å; D45-R47 IonicContact OD1-NH2 2.74Å; D45-R47 IonicContact OD2-CZ 3.77Å; D45-R47 IonicContact OD2-NE 3.87Å; D45-R47 PolarHBondContact OD2-NE 3.45Å; D45-R47 IonicContact OD2-NH2 3.65Å; D45-R47 PolarHBondContact OD2-NH2 3.22Å; R47-K170 PolarHBondContact O-NZ 2.78Å
48R95.2Very high95.7Very high92 Ų9253.2 Ų53.235%0.34725%0.249SC..G310 helixtrans-89-7.2179.5-51.6-82.8-51.2-120.821.6112.5S19 S21 I43 D45 S46S19-R48 PolarHBondContact O-NH1 3.02Å; S19-R48 PolarHBondContact O-NH2 3.42Å; S19-R48 PolarHBondContact OG-NH1 3.31Å; S21-R48 VanDerWaalsContact CA-NH2 3.28Å; S21-R48 PolarHBondContact OG-NE 2.76Å; S21-R48 PolarHBondContact OG-NH1 3.02Å; S21-R48 PolarHBondContact OG-NH2 2.98Å; I43-R48 HydrophobicContact CG2-CB 3.62Å; D45-R48 HydrophobicContact CB-CB 4.37Å; D45-R48 HydrophobicContact CB-CG 3.65Å; D45-R48 WeakPolarHBondContact O-CB 3.22Å; D45-R48 PolarHBondContact O-N 3.06Å; S46-R48 PolarHBondContact O-N 2.87Å
49R97.1Very high95.8Very high38 Ų3852.8 Ų52.814%0.14325%0.247CC..  trans-64.2163.4176.4-72.4175-171.91750111.2I43 S46 D89 K170 N171I43-R49 HydrophobicContact CB-CG 3.99Å; I43-R49 HydrophobicContact CG2-CG 4.47Å; I43-R49 PolarHBondContact O-NE 2.87Å; S46-R49 WeakPolarHBondContact O-CB 3.44Å; S46-R49 PolarHBondContact O-N 3.19Å; R49-D89 PolarHBondContact NH2-O 3.46Å; R49-K170 VanDerWaalsContact CB-C 3.5Å; R49-K170 HydrophobicContact CB-CB 3.79Å; R49-K170 WeakPolarHBondContact CB-O 3.43Å; R49-K170 WeakPolarHBondContact CD-O 3.49Å; R49-K170 WeakPolarHBondContact O-CD 3.49Å; R49-K170 WeakPolarHBondContact O-CG 3.36Å; R49-N171 WeakPolarHBondContact CB-O 3.46Å
50L98.1Very high95.9Very high37 Ų3756.3 Ų56.319%0.19426%0.259CS..BIsolated β-bridgetrans-107146.3-167.5-61.6-170.2000112I43 D54 A55 W93 K170 N171 F173I43-L50 HydrophobicContact CD1-CG 4.41Å; L50-D54 HydrophobicContact CB-CB 3.99Å; L50-D54 HydrophobicContact CD1-CB 4.37Å; L50-D54 HydrophobicContact CD2-CB 4.3Å; L50-D54 HydrophobicContact CG-CB 4.45Å; L50-A55 HydrophobicContact CB-CB 4.11Å; L50-W93 PolarHBondContact O-NE1 3.36Å; L50-K170 WeakPolarHBondContact O-CA 3.29Å; L50-N171 PolarHBondContact N-O 3.46Å; L50-N171 PolarHBondContact O-N 3.4Å; L50-F173 HydrophobicContact CD1-CD1 4.24Å; L50-F173 HydrophobicContact CD1-CE1 3.58Å; L50-F173 HydrophobicContact CD1-CZ 4.06Å; L50-F173 HydrophobicContact CG-CE1 4.22Å
51T98.6Very high95.9Very high32 Ų3260.5 Ų60.520%0.19629%0.289CS..  trans-65.3165.4165.470.80000110.2E53 D54 A55 C169 K170T51-E53 VanDerWaalsContact C-N 3.31Å; T51-E53 PolarHBondContact O-N 2.88Å; T51-D54 PolarHBondContact O-N 3.45Å; T51-D54 WeakPolarHBondContact OG1-CB 3.35Å; T51-D54 PolarHBondContact OG1-N 3.2Å; T51-D54 PolarHBondContact OG1-OD2 2.91Å; T51-A55 VanDerWaalsContact O-CB 3.31Å; T51-A55 WeakPolarHBondContact O-CB 3.47Å; T51-A55 PolarHBondContact O-N 3.49Å; T51-C169 WeakPolarHBondContact CA-O 3.36Å; T51-K170 HydrophobicContact CG2-CG 4.45Å
52F98.6Very high95.8Very high1 Ų164.6 Ų64.60%0.00431%0.308CS..Hα-helixtrans-56.4-45.8179.2179.8-87.8000112.2A55 R56 L66 W93 I94 R97 V119 C141 C167F52-A55 PolarHBondContact O-N 3.33Å; F52-R56 WeakPolarHBondContact O-CB 3.05Å; F52-R56 PolarHBondContact O-N 2.91Å; F52-L66 HydrophobicContact CD1-CD1 4.47Å; F52-L66 HydrophobicContact CD2-CD1 4.06Å; F52-L66 HydrophobicContact CE1-CD1 4.09Å; F52-L66 HydrophobicContact CE2-CD1 3.69Å; F52-L66 HydrophobicContact CG-CD1 4.46Å; F52-L66 HydrophobicContact CZ-CD1 3.7Å; F52-W93 HydrophobicContact CB-CD2 4.28Å; F52-W93 HydrophobicContact CB-CZ2 4.44Å; F52-W93 HydrophobicContact CD2-CD2 4.05Å; F52-W93 AromaticContact CD2-CE3 3.8Å; F52-W93 HydrophobicContact CD2-CE3 3.8Å; F52-W93 HydrophobicContact CD2-CG 4.41Å; F52-W93 HydrophobicContact CD2-CZ3 4.38Å; F52-I94 VanDerWaalsContact CE2-O 3.3Å; F52-I94 WeakPolarHBondContact CE2-O 3.34Å; F52-R97 HydrophobicContact CZ-CB 4.17Å; F52-V119 HydrophobicContact CE1-CG1 4.28Å; F52-V119 HydrophobicContact CZ-CG1 3.98Å; F52-C141 HydrophobicContact CB-CB 4.11Å; F52-C141 VanDerWaalsContact CB-SG 3.59Å; F52-C141 VanDerWaalsContact CD1-SG 3.6Å; F52-C141 HydrophobicContact CD2-CB 3.49Å; F52-C141 VanDerWaalsContact CD2-CB 3.49Å; F52-C141 WeakPolarHBondContact CD2-SG 3.38Å; F52-C141 HydrophobicContact CE2-CB 3.99Å; F52-C141 HydrophobicContact CG-CB 3.86Å; F52-C141 WeakPolarHBondContact CG-SG 3.3Å; F52-C167 HydrophobicContact CB-CB 4.19Å; F52-C167 PolarHBondContact N-O 2.99Å
53E98.2Very high95.8Very high78 Ų7865.3 Ų65.336%0.36433%0.33SS..Hα-helixtrans-71.6-36.8-177.3-160.964.5-140.800111.6T51 R56 Q57 R97T51-E53 VanDerWaalsContact C-N 3.31Å; T51-E53 PolarHBondContact O-N 2.88Å; E53-R56 WeakPolarHBondContact O-CB 3.4Å; E53-R56 PolarHBondContact O-N 3.4Å; E53-R56 WeakPolarHBondContact OE1-CD 3.3Å; E53-R56 IonicContact OE1-CZ 3.76Å; E53-R56 IonicContact OE1-NH1 3.81Å; E53-R56 PolarHBondContact OE1-NH1 2.97Å; E53-R56 IonicContact OE2-NH1 3.02Å; E53-Q57 WeakPolarHBondContact O-CB 3.05Å; E53-Q57 PolarHBondContact O-N 2.86Å; E53-R97 IonicContact OE2-NH1 3.91Å; E53-R97 PolarHBondContact OE2-NH1 3.23Å
54D98.5Very high95.9Very high87 Ų8765.7 Ų65.747%0.46534%0.336SS..Hα-helixtrans-64.9-42.2174.5-65.5-37000111.7L50 T51 Q57 S58L50-D54 HydrophobicContact CB-CB 3.99Å; L50-D54 HydrophobicContact CD1-CB 4.37Å; L50-D54 HydrophobicContact CD2-CB 4.3Å; L50-D54 HydrophobicContact CG-CB 4.45Å; T51-D54 PolarHBondContact O-N 3.45Å; T51-D54 WeakPolarHBondContact OG1-CB 3.35Å; T51-D54 PolarHBondContact OG1-N 3.2Å; T51-D54 PolarHBondContact OG1-OD2 2.91Å; D54-Q57 PolarHBondContact O-N 2.91Å; D54-S58 PolarHBondContact O-N 2.83Å
55A98.6Very high96.3Very high0 Ų058.7 Ų58.70%030%0.303CS..Hα-helixtrans-63-43.2175.800000111.5L50 T51 F52 S58 C59 L66 F173L50-A55 HydrophobicContact CB-CB 4.11Å; T51-A55 VanDerWaalsContact O-CB 3.31Å; T51-A55 WeakPolarHBondContact O-CB 3.47Å; T51-A55 PolarHBondContact O-N 3.49Å; F52-A55 PolarHBondContact O-N 3.33Å; A55-S58 WeakPolarHBondContact O-CB 3.34Å; A55-S58 PolarHBondContact O-N 2.85Å; A55-C59 PolarHBondContact O-N 2.71Å; A55-C59 PolarHBondContact O-SG 2.93Å; A55-L66 HydrophobicContact CB-CD2 4.21Å; A55-F173 HydrophobicContact CB-CB 3.67Å; A55-F173 HydrophobicContact CB-CD1 3.95Å; A55-F173 HydrophobicContact CB-CD2 4.22Å; A55-F173 HydrophobicContact CB-CG 3.71Å
56R98.4Very high96.6Very high44 Ų4456 Ų5617%0.16629%0.289CS..Hα-helixtrans-59.2-47.2173.7-166.5-165.8176-163.19.2112.2F52 E53 S58 C59 R60 E65 L66F52-R56 WeakPolarHBondContact O-CB 3.05Å; F52-R56 PolarHBondContact O-N 2.91Å; E53-R56 WeakPolarHBondContact O-CB 3.4Å; E53-R56 PolarHBondContact O-N 3.4Å; E53-R56 WeakPolarHBondContact OE1-CD 3.3Å; E53-R56 IonicContact OE1-CZ 3.76Å; E53-R56 IonicContact OE1-NH1 3.81Å; E53-R56 PolarHBondContact OE1-NH1 2.97Å; E53-R56 IonicContact OE2-NH1 3.02Å; R56-S58 VanDerWaalsContact C-N 3.27Å; R56-S58 PolarHBondContact O-N 3.42Å; R56-C59 PolarHBondContact O-N 3.23Å; R56-C59 VanDerWaalsContact O-N 3.17Å; R56-R60 VanDerWaalsContact CZ-CZ 3.44Å; R56-R60 WeakPolarHBondContact O-CG 3.41Å; R56-R60 PolarHBondContact O-N 2.7Å; R56-E65 WeakPolarHBondContact CG-OE1 3.41Å; R56-E65 IonicContact NE-OE1 3.5Å; R56-E65 IonicContact NE-OE2 3.4Å; R56-L66 HydrophobicContact CB-CD1 3.66Å; R56-L66 HydrophobicContact CB-CG 4.08Å; R56-L66 HydrophobicContact CG-CD1 4.04Å; R56-L66 HydrophobicContact CG-CG 4.31Å
57Q98.4Very high97Very high112 Ų11252.8 Ų52.852%0.52327%0.266SS..Hα-helixtrans-61.9-37.9176.6-17359.631.600111.5E53 D54 C59 R60 S61E53-Q57 WeakPolarHBondContact O-CB 3.05Å; E53-Q57 PolarHBondContact O-N 2.86Å; D54-Q57 PolarHBondContact O-N 2.91Å; Q57-C59 PolarHBondContact O-N 2.79Å; Q57-R60 PolarHBondContact O-N 3.42Å; Q57-S61 PolarHBondContact O-N 3.37Å; Q57-S61 PolarHBondContact O-OG 3.29Å
58S97.2Very high97.2Very high23 Ų2344 Ų4416%0.16123%0.233CC..Hα-helixtrans-64.4-35.8174.5-1720000113.1D54 A55 R56 S61 F173D54-S58 PolarHBondContact O-N 2.83Å; A55-S58 WeakPolarHBondContact O-CB 3.34Å; A55-S58 PolarHBondContact O-N 2.85Å; R56-S58 VanDerWaalsContact C-N 3.27Å; R56-S58 PolarHBondContact O-N 3.42Å; S58-S61 PolarHBondContact O-OG 2.61Å; S58-F173 WeakPolarHBondContact OG-CZ 3.44Å
59C97.4Very high97.3Very high0 Ų039.6 Ų39.60%022%0.217CC..Hα-helixtrans-69.9-40.8173.7-64.70000111.5A55 R56 Q57 E62 G64 C175A55-C59 PolarHBondContact O-N 2.71Å; A55-C59 PolarHBondContact O-SG 2.93Å; R56-C59 PolarHBondContact O-N 3.23Å; R56-C59 VanDerWaalsContact O-N 3.17Å; Q57-C59 PolarHBondContact O-N 2.79Å; C59-E62 PolarHBondContact O-N 3.47Å; C59-G64 CarbonylContact C-O 3.49Å; C59-G64 CarbonylContact O-C 3.54Å; C59-G64 WeakPolarHBondContact O-CA 3.38Å; C59-G64 PolarHBondContact O-N 3.27Å; C59-C175 WeakPolarHBondContact CA-SG 3.32Å; C59-C175 HydrophobicContact CB-CB 3.7Å; C59-C175 WeakPolarHBondContact CB-SG 3.39Å; C59-C175 WeakPolarHBondContact SG-CA 3.48Å; C59-C175 WeakPolarHBondContact SG-CB 3.44Å; C59-C175 CovalentContact SG-SG 2.04Å; C59-C175 PolarHBondContact SG-SG 3.23Å
60R97.2Very high97.2Very high106 Ų10641.6 Ų41.640%0.423%0.227SC..Hα-helixtrans-66.3-36.9-179-74173.3168.3-143.5-18.8113.5R56 Q57 E62 G63 G64 E65R56-R60 VanDerWaalsContact CZ-CZ 3.44Å; R56-R60 WeakPolarHBondContact O-CG 3.41Å; R56-R60 PolarHBondContact O-N 2.7Å; Q57-R60 PolarHBondContact O-N 3.42Å; R60-E62 PolarHBondContact O-N 2.81Å; R60-G63 PolarHBondContact O-N 2.77Å; R60-G64 WeakPolarHBondContact CA-O 3.39Å; R60-E65 IonicContact CZ-OE2 3.09Å; R60-E65 IonicContact NE-OE1 2.65Å; R60-E65 IonicContact NE-OE2 3.01Å; R60-E65 PolarHBondContact NE-OE2 3.46Å; R60-E65 IonicContact NH2-OE2 3.45Å; R60-E65 PolarHBondContact NH2-OE2 3.42Å
61S96Very high97.1Very high89 Ų8943.1 Ų43.162%0.62224%0.239SC*.Hα-helixtrans-63.6-22.7176.863.70000113.2Q57 S58Q57-S61 PolarHBondContact O-N 3.37Å; Q57-S61 PolarHBondContact O-OG 3.29Å; S58-S61 PolarHBondContact O-OG 2.61Å
62E92.6Very high97Very high86 Ų8646.3 Ų46.340%0.40225%0.251SS..THydrogen-bonded Turntrans-97.912174.4-65.2-175.6-136.400113K39 C59 R60 G64 Y177K39-E62 IonicContact NZ-OE1 2.88Å; K39-E62 PolarHBondContact NZ-OE1 2.87Å; K39-E62 IonicContact NZ-OE2 3.88Å; K39-E62 PolarHBondContact NZ-OE2 2.93Å; C59-E62 PolarHBondContact O-N 3.47Å; R60-E62 PolarHBondContact O-N 2.81Å; E62-G64 VanDerWaalsContact C-N 3.33Å; E62-G64 PolarHBondContact O-N 3.43Å; E62-Y177 HydrophobicContact CB-CE1 3.82Å; E62-Y177 VanDerWaalsContact O-CE1 3.3Å; E62-Y177 WeakPolarHBondContact O-CE1 3.39Å; E62-Y177 PolarHBondContact OE2-OH 2.93Å
63G93.3Very high96.8Very high65 Ų6550.5 Ų50.567%0.6728%0.281SS*.THydrogen-bonded Turntrans74.919179.900000114.5R60R60-G63 PolarHBondContact O-N 2.77Å
64G95.4Very high96.7Very high14 Ų1447.4 Ų47.414%0.14427%0.266CS..  trans-111.3-168.6174.500000112.8C59 R60 E62 K176 Y177C59-G64 CarbonylContact C-O 3.49Å; C59-G64 CarbonylContact O-C 3.54Å; C59-G64 WeakPolarHBondContact O-CA 3.38Å; C59-G64 PolarHBondContact O-N 3.27Å; R60-G64 WeakPolarHBondContact CA-O 3.39Å; E62-G64 VanDerWaalsContact C-N 3.33Å; E62-G64 PolarHBondContact O-N 3.43Å; G64-K176 WeakPolarHBondContact CA-O 3.5Å; G64-Y177 VanDerWaalsContact CA-CD1 3.46Å
65E97.8Very high96.6Very high20 Ų2043.4 Ų43.49%0.09325%0.245CC..EExtended strand (participates in β ladder)trans-142.7163.2169.9-174.654-77.200108.4R56 R60 V119 D120 C175 K176R56-E65 WeakPolarHBondContact CG-OE1 3.41Å; R56-E65 IonicContact NE-OE1 3.5Å; R56-E65 IonicContact NE-OE2 3.4Å; R60-E65 IonicContact CZ-OE2 3.09Å; R60-E65 IonicContact NE-OE1 2.65Å; R60-E65 IonicContact NE-OE2 3.01Å; R60-E65 PolarHBondContact NE-OE2 3.46Å; R60-E65 IonicContact NH2-OE2 3.45Å; R60-E65 PolarHBondContact NH2-OE2 3.42Å; E65-V119 HydrophobicContact CG-CG2 3.88Å; E65-D120 HydrophobicContact CB-CB 3.96Å; E65-D120 HydrophobicContact CG-CB 3.47Å; E65-D120 VanDerWaalsContact CG-CB 3.47Å; E65-C175 CarbonylContact O-C 3.55Å; E65-C175 WeakPolarHBondContact O-CA 3.23Å; E65-K176 PolarHBondContact N-O 3.29Å; E65-K176 PolarHBondContact O-N 2.85Å
66L98.3Very high96.4Very high0 Ų050.2 Ų50.20%027%0.27CS..EExtended strand (participates in β ladder)trans-54144.2171.7-78170.9000111.1F52 A55 R56 S68 W93 G95 V119 F173F52-L66 HydrophobicContact CD1-CD1 4.47Å; F52-L66 HydrophobicContact CD2-CD1 4.06Å; F52-L66 HydrophobicContact CE1-CD1 4.09Å; F52-L66 HydrophobicContact CE2-CD1 3.69Å; F52-L66 HydrophobicContact CG-CD1 4.46Å; F52-L66 HydrophobicContact CZ-CD1 3.7Å; A55-L66 HydrophobicContact CB-CD2 4.21Å; R56-L66 HydrophobicContact CB-CD1 3.66Å; R56-L66 HydrophobicContact CB-CG 4.08Å; R56-L66 HydrophobicContact CG-CD1 4.04Å; R56-L66 HydrophobicContact CG-CG 4.31Å; L66-S68 PolarHBondContact O-N 3.45Å; L66-S68 VanDerWaalsContact O-N 3.17Å; L66-W93 HydrophobicContact CD2-CB 4.23Å; L66-G95 VanDerWaalsContact CB-CA 3.42Å; L66-V119 HydrophobicContact CB-CG2 4.24Å; L66-F173 HydrophobicContact CD2-CB 4.05Å
67L98.3Very high96.2Very high0 Ų051.5 Ų51.50%028%0.28CS..PPolyproline II helixtrans-53.7117.5-17217366.9000112.3Y38 I69 I78 I94 G95 W118 L144 V174 K176Y38-L67 HydrophobicContact CD1-CD1 3.62Å; Y38-L67 HydrophobicContact CE1-CD1 3.67Å; L67-I69 HydrophobicContact CD1-CG1 4.28Å; L67-I69 HydrophobicContact CD2-CD1 3.84Å; L67-I69 HydrophobicContact CD2-CG1 3.81Å; L67-I69 HydrophobicContact CG-CD1 4.35Å; L67-I69 HydrophobicContact CG-CG1 3.77Å; L67-I78 HydrophobicContact CD1-CD1 4.06Å; L67-I78 HydrophobicContact CD1-CG1 4.26Å; L67-I78 HydrophobicContact CD2-CB 4.42Å; L67-I78 HydrophobicContact CD2-CD1 4.11Å; L67-I78 HydrophobicContact CD2-CG1 3.89Å; L67-I78 HydrophobicContact CD2-CG2 3.82Å; L67-I94 HydrophobicContact CB-CB 4.46Å; L67-I94 HydrophobicContact CB-CG2 4.28Å; L67-I94 HydrophobicContact CD2-CG2 3.94Å; L67-I94 HydrophobicContact CG-CG2 4.41Å; L67-G95 PolarHBondContact O-N 3.19Å; L67-W118 WeakPolarHBondContact O-CZ3 3.46Å; L67-L144 HydrophobicContact CD2-CD1 4.17Å; L67-V174 HydrophobicContact CB-CB 3.89Å; L67-V174 HydrophobicContact CB-CG1 4.04Å; L67-V174 WeakPolarHBondContact CB-O 3.43Å; L67-V174 HydrophobicContact CD2-CB 3.93Å; L67-V174 HydrophobicContact CD2-CG1 3.85Å; L67-V174 HydrophobicContact CD2-CG2 4.48Å; L67-V174 HydrophobicContact CG-CG1 4.37Å; L67-V174 PolarHBondContact N-O 2.91Å; L67-K176 HydrophobicContact CD1-CB 4.14Å; L67-K176 HydrophobicContact CD1-CD 4.38Å
68S97.8Very high96.1Very high0 Ų046.1 Ų46.10%026%0.255CS..PPolyproline II helixtrans-87.6137.6158.869.90000110L66 E74 W118 D120 K176L66-S68 PolarHBondContact O-N 3.45Å; L66-S68 VanDerWaalsContact O-N 3.17Å; S68-E74 VanDerWaalsContact O-OE1 3.05Å; S68-W118 VanDerWaalsContact CA-CE3 3.49Å; S68-D120 VanDerWaalsContact CB-OD2 3.27Å; S68-D120 WeakPolarHBondContact CB-OD2 3.16Å; S68-D120 PolarHBondContact OG-OD2 2.95Å; S68-K176 PolarHBondContact O-NZ 3.01Å; S68-K176 VanDerWaalsContact OG-CD 3.32Å; S68-K176 WeakPolarHBondContact OG-CD 3.23Å; S68-K176 PolarHBondContact OG-NZ 2.74Å; S68-K176 VanDerWaalsContact OG-NZ 3.13Å
69I97.4Very high96Very high0 Ų047.1 Ų47.10%026%0.257CS..  trans-113.4110.8173.7-53.1-178.5000108.6L67 E74 Q75 W118 Y126 L144 W162L67-I69 HydrophobicContact CD1-CG1 4.28Å; L67-I69 HydrophobicContact CD2-CD1 3.84Å; L67-I69 HydrophobicContact CD2-CG1 3.81Å; L67-I69 HydrophobicContact CG-CD1 4.35Å; L67-I69 HydrophobicContact CG-CG1 3.77Å; I69-E74 HydrophobicContact CG2-CB 4.34Å; I69-E74 HydrophobicContact CG2-CG 4.36Å; I69-Q75 HydrophobicContact CG2-CB 3.86Å; I69-W118 HydrophobicContact CB-CH2 4.1Å; I69-W118 HydrophobicContact CB-CZ2 4.44Å; I69-W118 HydrophobicContact CG1-CH2 4.39Å; I69-W118 VanDerWaalsContact N-CH2 3.26Å; I69-W118 VanDerWaalsContact O-CZ2 3.28Å; I69-W118 WeakPolarHBondContact O-CZ2 3.32Å; I69-Y126 HydrophobicContact CG2-CD1 3.86Å; I69-Y126 HydrophobicContact CG2-CE1 3.86Å; I69-L144 HydrophobicContact CD1-CD1 4.38Å; I69-L144 HydrophobicContact CD1-CD2 4.23Å; I69-W162 HydrophobicContact CB-CH2 4.21Å; I69-W162 HydrophobicContact CB-CZ2 3.79Å; I69-W162 HydrophobicContact CD1-CZ2 3.91Å; I69-W162 HydrophobicContact CG1-CZ2 4.31Å; I69-W162 HydrophobicContact CG2-CZ2 4.07Å
70E95.4Very high95.8Very high79 Ų7949.2 Ų49.237%0.36927%0.272SS..  trans-97.3-25.1-169.4-54.6-174.2-139.300113.3E74 A124 Y126 K176E70-E74 WeakPolarHBondContact CA-OE2 3.37Å; E70-E74 WeakPolarHBondContact CB-OE2 3.3Å; E70-E74 PolarHBondContact N-OE2 3.4Å; E70-A124 HydrophobicContact CB-CB 3.85Å; E70-A124 HydrophobicContact CG-CB 3.84Å; E70-Y126 WeakPolarHBondContact O-CB 3.46Å; E70-K176 IonicContact OE1-NZ 2.73Å; E70-K176 PolarHBondContact OE1-NZ 2.72Å
71T96Very high95.6Very high70 Ų7044.7 Ų44.743%0.42926%0.255SS..SBendtrans-143.5159.9-176.563.90000111.6S73 E74 Q75T71-S73 VanDerWaalsContact C-N 3.28Å; T71-S73 PolarHBondContact O-N 3.48Å; T71-E74 WeakPolarHBondContact O-CB 3.49Å; T71-E74 PolarHBondContact O-N 2.9Å; T71-E74 VanDerWaalsContact O-N 3.15Å; T71-E74 WeakPolarHBondContact OG1-CB 3.35Å; T71-E74 PolarHBondContact OG1-N 3.28Å; T71-E74 VanDerWaalsContact OG1-N 3.17Å; T71-Q75 PolarHBondContact O-N 3.45Å
72E96.3Very high95.5Very high98 Ų9840.4 Ų40.446%0.45823%0.225SC..Hα-helixtrans-61.3-36.5173.2-169.4-174.6-178.400112.4E74 Q75 R76 Y126E72-E74 VanDerWaalsContact C-N 3.28Å; E72-E74 PolarHBondContact O-N 3.44Å; E72-Q75 WeakPolarHBondContact O-CB 3.44Å; E72-Q75 PolarHBondContact O-N 2.83Å; E72-R76 VanDerWaalsContact CD-NH2 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.18Å; E72-R76 PolarHBondContact O-N 3.36Å; E72-R76 IonicContact OE1-CZ 3.51Å; E72-R76 IonicContact OE1-NE 3.73Å; E72-R76 IonicContact OE1-NH2 3.67Å; E72-R76 PolarHBondContact OE1-NH2 2.78Å; E72-R76 IonicContact OE2-NH2 3.75Å; E72-Y126 HydrophobicContact CB-CD2 4.35Å; E72-Y126 HydrophobicContact CB-CE2 3.65Å; E72-Y126 HydrophobicContact CG-CE2 4.15Å
73S95Very high95.5Very high89 Ų8941.4 Ų41.462%0.62223%0.23SC*.Hα-helixtrans-64.8-34.4175.8-52.50000112.3T71 L77T71-S73 VanDerWaalsContact C-N 3.28Å; T71-S73 PolarHBondContact O-N 3.48Å; S73-L77 WeakPolarHBondContact O-CB 3.46Å; S73-L77 PolarHBondContact O-N 2.91Å; S73-L77 VanDerWaalsContact O-N 3.12Å
74E95.3Very high95.4Very high14 Ų1445.6 Ų45.67%0.06523%0.23CC..Hα-helixtrans-68.5-42.7173.3-175.7174.5-162.200111.2Y38 S68 I69 E70 T71 E72 R76 L77 I78 K176Y38-E74 HydrophobicContact CE1-CG 4.44Å; Y38-E74 WeakPolarHBondContact CE1-OE1 3.2Å; Y38-E74 PolarHBondContact OH-OE1 2.83Å; S68-E74 VanDerWaalsContact O-OE1 3.05Å; I69-E74 HydrophobicContact CG2-CB 4.34Å; I69-E74 HydrophobicContact CG2-CG 4.36Å; E70-E74 WeakPolarHBondContact CA-OE2 3.37Å; E70-E74 WeakPolarHBondContact CB-OE2 3.3Å; E70-E74 PolarHBondContact N-OE2 3.4Å; T71-E74 WeakPolarHBondContact O-CB 3.49Å; T71-E74 PolarHBondContact O-N 2.9Å; T71-E74 VanDerWaalsContact O-N 3.15Å; T71-E74 WeakPolarHBondContact OG1-CB 3.35Å; T71-E74 PolarHBondContact OG1-N 3.28Å; T71-E74 VanDerWaalsContact OG1-N 3.17Å; E72-E74 VanDerWaalsContact C-N 3.28Å; E72-E74 PolarHBondContact O-N 3.44Å; E74-R76 PolarHBondContact O-N 3.34Å; E74-L77 WeakPolarHBondContact O-CB 3.18Å; E74-L77 PolarHBondContact O-N 2.94Å; E74-I78 WeakPolarHBondContact O-CG1 3.3Å; E74-I78 PolarHBondContact O-N 3.44Å; E74-I78 VanDerWaalsContact O-N 3.08Å; E74-K176 VanDerWaalsContact OE1-CE 3.24Å; E74-K176 WeakPolarHBondContact OE1-CE 3.22Å; E74-K176 IonicContact OE1-NZ 2.68Å; E74-K176 PolarHBondContact OE1-NZ 3.05Å; E74-K176 IonicContact OE2-NZ 3.17Å
75Q96.7Very high95.2Very high2 Ų246.1 Ų46.11%0.00923%0.229CC..Hα-helixtrans-53.3-56.4172.9176.971.331.800110.7I69 T71 E72 L77 I78 E79 Y126 N128 F160I69-Q75 HydrophobicContact CG2-CB 3.86Å; T71-Q75 PolarHBondContact O-N 3.45Å; E72-Q75 WeakPolarHBondContact O-CB 3.44Å; E72-Q75 PolarHBondContact O-N 2.83Å; Q75-L77 VanDerWaalsContact C-N 3.25Å; Q75-L77 PolarHBondContact O-N 2.91Å; Q75-I78 PolarHBondContact O-N 3.26Å; Q75-E79 HydrophobicContact CG-CG 4.43Å; Q75-E79 VanDerWaalsContact CG-OE1 3.22Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.41Å; Q75-E79 PolarHBondContact NE2-OE1 3.3Å; Q75-E79 VanDerWaalsContact O-CG 3.32Å; Q75-E79 WeakPolarHBondContact O-CG 3.38Å; Q75-E79 PolarHBondContact O-N 3.18Å; Q75-Y126 HydrophobicContact CB-CE1 3.84Å; Q75-Y126 HydrophobicContact CG-CE1 4.34Å; Q75-N128 PolarHBondContact NE2-ND2 3.27Å; Q75-N128 VanDerWaalsContact NE2-ND2 3.19Å; Q75-F160 PolarHBondContact NE2-O 3.2Å
76R95.1Very high94.7Very high144 Ų14454.2 Ų54.254%0.54326%0.264SS..Hα-helixtrans-58.5-34.9-179.8-66.4178.4-170.4174.50.9113.2E72 E74 S80E72-R76 VanDerWaalsContact CD-NH2 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.18Å; E72-R76 PolarHBondContact O-N 3.36Å; E72-R76 IonicContact OE1-CZ 3.51Å; E72-R76 IonicContact OE1-NE 3.73Å; E72-R76 IonicContact OE1-NH2 3.67Å; E72-R76 PolarHBondContact OE1-NH2 2.78Å; E72-R76 IonicContact OE2-NH2 3.75Å; E74-R76 PolarHBondContact O-N 3.34Å; R76-S80 WeakPolarHBondContact O-CB 3.23Å; R76-S80 PolarHBondContact O-N 3.02Å
77L93.8Very high94.3Very high70 Ų7054.8 Ų54.837%0.36627%0.267SS..Hα-helixtrans-62.7-46.1174.9176.570.6000111.2I28 Y38 S73 E74 Q75 F81I28-L77 HydrophobicContact CD1-CD1 4.25Å; I28-L77 HydrophobicContact CD1-CG 4.31Å; Y38-L77 HydrophobicContact CD2-CD2 4.23Å; Y38-L77 HydrophobicContact CE2-CD2 3.68Å; S73-L77 WeakPolarHBondContact O-CB 3.46Å; S73-L77 PolarHBondContact O-N 2.91Å; S73-L77 VanDerWaalsContact O-N 3.12Å; E74-L77 WeakPolarHBondContact O-CB 3.18Å; E74-L77 PolarHBondContact O-N 2.94Å; Q75-L77 VanDerWaalsContact C-N 3.25Å; Q75-L77 PolarHBondContact O-N 2.91Å; L77-F81 WeakPolarHBondContact O-CB 3.04Å; L77-F81 PolarHBondContact O-N 3.24Å
78I95.6Very high94Very high0 Ų057.3 Ų57.30%029%0.293CS..Hα-helixtrans-66.8-42.2179.8-62.8-61.9000111Y38 L67 E74 Q75 F81 I82 L144Y38-I78 HydrophobicContact CD1-CD1 3.61Å; Y38-I78 HydrophobicContact CD2-CD1 4.17Å; Y38-I78 HydrophobicContact CE1-CD1 4.05Å; Y38-I78 HydrophobicContact CG-CD1 3.64Å; L67-I78 HydrophobicContact CD1-CD1 4.06Å; L67-I78 HydrophobicContact CD1-CG1 4.26Å; L67-I78 HydrophobicContact CD2-CB 4.42Å; L67-I78 HydrophobicContact CD2-CD1 4.11Å; L67-I78 HydrophobicContact CD2-CG1 3.89Å; L67-I78 HydrophobicContact CD2-CG2 3.82Å; E74-I78 WeakPolarHBondContact O-CG1 3.3Å; E74-I78 PolarHBondContact O-N 3.44Å; E74-I78 VanDerWaalsContact O-N 3.08Å; Q75-I78 PolarHBondContact O-N 3.26Å; I78-F81 WeakPolarHBondContact O-CB 3.22Å; I78-F81 PolarHBondContact O-N 3.45Å; I78-I82 HydrophobicContact CG2-CD1 3.76Å; I78-I82 HydrophobicContact CG2-CG1 4.4Å; I78-I82 WeakPolarHBondContact O-CG1 3.38Å; I78-I82 PolarHBondContact O-N 2.82Å; I78-L144 HydrophobicContact CG2-CD1 3.98Å
79E94.9Very high93.7Very high44 Ų4460.5 Ų60.521%0.20631%0.31CS..Hα-helixtrans-56.6-55.7175.1-65.8176.1177.500111.3Q75 F81 I82 Q83 F160Q75-E79 HydrophobicContact CG-CG 4.43Å; Q75-E79 VanDerWaalsContact CG-OE1 3.22Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.41Å; Q75-E79 PolarHBondContact NE2-OE1 3.3Å; Q75-E79 VanDerWaalsContact O-CG 3.32Å; Q75-E79 WeakPolarHBondContact O-CG 3.38Å; Q75-E79 PolarHBondContact O-N 3.18Å; E79-F81 PolarHBondContact O-N 2.8Å; E79-I82 PolarHBondContact O-N 3.03Å; E79-Q83 WeakPolarHBondContact O-CB 3.22Å; E79-Q83 VanDerWaalsContact O-CG 3.32Å; E79-Q83 WeakPolarHBondContact O-CG 3.4Å; E79-Q83 PolarHBondContact O-N 3.09Å; E79-F160 HydrophobicContact CB-CD2 3.93Å; E79-F160 HydrophobicContact CB-CE2 4.19Å; E79-F160 HydrophobicContact CB-CG 4.12Å; E79-F160 HydrophobicContact CG-CB 3.54Å; E79-F160 HydrophobicContact CG-CD1 4.12Å; E79-F160 HydrophobicContact CG-CD2 3.77Å; E79-F160 HydrophobicContact CG-CE2 4.49Å; E79-F160 HydrophobicContact CG-CG 3.56Å
80S93.3Very high93.6Very high44 Ų4460.7 Ų60.731%0.30831%0.313SS..Hα-helixtrans-59.3-37.4178.3-176.40000111.9R76 K84R76-S80 WeakPolarHBondContact O-CB 3.23Å; R76-S80 PolarHBondContact O-N 3.02Å; S80-K84 WeakPolarHBondContact O-CD 3.49Å; S80-K84 VanDerWaalsContact O-CG 3.24Å; S80-K84 WeakPolarHBondContact O-CG 3.46Å; S80-K84 PolarHBondContact O-N 3.32Å; S80-K84 VanDerWaalsContact O-N 3.16Å; S80-K84 WeakPolarHBondContact OG-CE 3.33Å; S80-K84 PolarHBondContact OG-NZ 2.04Å
81F93.1Very high93.7Very high10 Ų1058 Ų584%0.04430%0.301CS..Hα-helixtrans-65.2-50178.3172.1-132.7000111.8Q26 I28 A40 L77 I78 E79 Q83 K84 L85Q26-F81 HydrophobicContact CB-CE2 4.12Å; Q26-F81 HydrophobicContact CB-CZ 4.11Å; Q26-F81 HydrophobicContact CG-CE2 4.37Å; Q26-F81 WeakPolarHBondContact O-CZ 3.17Å; I28-F81 HydrophobicContact CB-CD2 4.49Å; I28-F81 HydrophobicContact CB-CE2 4.5Å; I28-F81 HydrophobicContact CD1-CB 3.72Å; I28-F81 HydrophobicContact CD1-CD1 3.9Å; I28-F81 HydrophobicContact CD1-CD2 3.94Å; I28-F81 HydrophobicContact CD1-CG 3.55Å; I28-F81 HydrophobicContact CG1-CD1 4.04Å; I28-F81 HydrophobicContact CG1-CD2 4.22Å; I28-F81 HydrophobicContact CG1-CE1 4.24Å; I28-F81 HydrophobicContact CG1-CE2 4.46Å; I28-F81 HydrophobicContact CG1-CG 4.04Å; I28-F81 HydrophobicContact CG1-CZ 4.48Å; I28-F81 HydrophobicContact CG2-CD2 3.49Å; I28-F81 VanDerWaalsContact CG2-CD2 3.49Å; I28-F81 HydrophobicContact CG2-CE1 4.46Å; I28-F81 HydrophobicContact CG2-CE2 3.33Å; I28-F81 HydrophobicContact CG2-CG 4.19Å; I28-F81 HydrophobicContact CG2-CZ 3.87Å; A40-F81 HydrophobicContact CB-CD1 4.3Å; A40-F81 HydrophobicContact CB-CE1 3.55Å; A40-F81 HydrophobicContact CB-CZ 4.08Å; L77-F81 WeakPolarHBondContact O-CB 3.04Å; L77-F81 PolarHBondContact O-N 3.24Å; I78-F81 WeakPolarHBondContact O-CB 3.22Å; I78-F81 PolarHBondContact O-N 3.45Å; E79-F81 PolarHBondContact O-N 2.8Å; F81-Q83 PolarHBondContact O-N 3.5Å; F81-K84 PolarHBondContact O-N 2.73Å; F81-L85 HydrophobicContact CE1-CD1 4.48Å; F81-L85 HydrophobicContact CE2-CD1 4.11Å; F81-L85 HydrophobicContact CE2-CD2 3.92Å; F81-L85 HydrophobicContact CE2-CG 4.08Å; F81-L85 HydrophobicContact CZ-CD1 3.95Å; F81-L85 HydrophobicContact CZ-CD2 4.36Å; F81-L85 HydrophobicContact CZ-CG 4.42Å; F81-L85 PolarHBondContact O-N 3.45Å
82I94.1Very high93.8Very high0 Ų054.7 Ų54.70%028%0.28CS..Hα-helixtrans-64.7-41.5179.8-66169000110.9A40 I78 E79 K84 L85 V87 F92 L144 F160 V174A40-I82 HydrophobicContact CB-CG1 4.19Å; I78-I82 HydrophobicContact CG2-CD1 3.76Å; I78-I82 HydrophobicContact CG2-CG1 4.4Å; I78-I82 WeakPolarHBondContact O-CG1 3.38Å; I78-I82 PolarHBondContact O-N 2.82Å; E79-I82 PolarHBondContact O-N 3.03Å; I82-K84 VanDerWaalsContact C-N 3.29Å; I82-K84 PolarHBondContact O-N 2.75Å; I82-L85 WeakPolarHBondContact O-CB 3.36Å; I82-L85 PolarHBondContact O-N 3.17Å; I82-V87 HydrophobicContact CG2-CG2 3.95Å; I82-F92 HydrophobicContact CD1-CD1 4.5Å; I82-F92 HydrophobicContact CD1-CD2 4.25Å; I82-F92 HydrophobicContact CD1-CE2 4.46Å; I82-F92 HydrophobicContact CD1-CG 4.29Å; I82-F92 HydrophobicContact CG2-CD2 4.47Å; I82-F92 HydrophobicContact CG2-CE2 3.76Å; I82-F92 HydrophobicContact CG2-CZ 3.95Å; I82-L144 HydrophobicContact CD1-CD1 4.45Å; I82-F160 HydrophobicContact CB-CE1 3.72Å; I82-F160 HydrophobicContact CB-CZ 4Å; I82-F160 HydrophobicContact CD1-CD1 4.42Å; I82-F160 HydrophobicContact CD1-CE1 3.88Å; I82-F160 HydrophobicContact CG1-CE1 4.4Å; I82-F160 HydrophobicContact CG2-CE1 3.72Å; I82-F160 HydrophobicContact CG2-CZ 3.98Å; I82-V174 HydrophobicContact CD1-CG2 4.1Å
83Q92.3Very high93.9Very high107 Ų10750 Ų5050%0.526%0.258SS..Hα-helixtrans-57.3-40.9175.8-73.6174.4-18.900112.4E79 F81 L85 K86 F160E79-Q83 WeakPolarHBondContact O-CB 3.22Å; E79-Q83 VanDerWaalsContact O-CG 3.32Å; E79-Q83 WeakPolarHBondContact O-CG 3.4Å; E79-Q83 PolarHBondContact O-N 3.09Å; F81-Q83 PolarHBondContact O-N 3.5Å; Q83-L85 PolarHBondContact O-N 2.89Å; Q83-K86 PolarHBondContact O-N 3.3Å; Q83-K86 VanDerWaalsContact O-N 3.07Å; Q83-F160 HydrophobicContact CG-CE2 3.66Å; Q83-F160 HydrophobicContact CG-CZ 3.78Å
84K92.3Very high94.1Very high153 Ų15345.8 Ų45.867%0.66523%0.229SC*.Hα-helixtrans-65.3-25.1178-75.5168.7-174169.40113.4S80 F81 I82 K86S80-K84 WeakPolarHBondContact O-CD 3.49Å; S80-K84 VanDerWaalsContact O-CG 3.24Å; S80-K84 WeakPolarHBondContact O-CG 3.46Å; S80-K84 PolarHBondContact O-N 3.32Å; S80-K84 VanDerWaalsContact O-N 3.16Å; S80-K84 WeakPolarHBondContact OG-CE 3.33Å; S80-K84 PolarHBondContact OG-NZ 2.04Å; F81-K84 PolarHBondContact O-N 2.73Å; I82-K84 VanDerWaalsContact C-N 3.29Å; I82-K84 PolarHBondContact O-N 2.75Å; K84-K86 PolarHBondContact O-N 2.97Å
85L90.2Very high94.2Very high24 Ų2445.1 Ų45.113%0.12623%0.226CC..THydrogen-bonded Turntrans-71.2-14.5175.5-60.9175.9000112.7Q26 A40 Y42 F81 I82 Q83 V87Q26-L85 HydrophobicContact CB-CD2 3.76Å; A40-L85 HydrophobicContact CB-CD1 3.8Å; Y42-L85 HydrophobicContact CD1-CD1 4.37Å; Y42-L85 HydrophobicContact CE1-CD1 4.44Å; F81-L85 HydrophobicContact CE1-CD1 4.48Å; F81-L85 HydrophobicContact CE2-CD1 4.11Å; F81-L85 HydrophobicContact CE2-CD2 3.92Å; F81-L85 HydrophobicContact CE2-CG 4.08Å; F81-L85 HydrophobicContact CZ-CD1 3.95Å; F81-L85 HydrophobicContact CZ-CD2 4.36Å; F81-L85 HydrophobicContact CZ-CG 4.42Å; F81-L85 PolarHBondContact O-N 3.45Å; I82-L85 WeakPolarHBondContact O-CB 3.36Å; I82-L85 PolarHBondContact O-N 3.17Å; Q83-L85 PolarHBondContact O-N 2.89Å; L85-V87 HydrophobicContact CB-CG1 3.62Å; L85-V87 PolarHBondContact O-N 3.08Å
86K88.6Confident94.3Very high191 Ų19145 Ų4583%0.8323%0.226SC*.THydrogen-bonded Turntrans50.141.5-178.6-59-176.7179-175.20112.3Q83 K84Q83-K86 PolarHBondContact O-N 3.3Å; Q83-K86 VanDerWaalsContact O-N 3.07Å; K84-K86 PolarHBondContact O-N 2.97Å
87V89.6Confident94.3Very high12 Ų1240.8 Ų40.87%0.07321%0.21CC..  trans-75.7146.4177.9-58.70000109.5Y42 I82 L85 F92 H146Y42-V87 HydrophobicContact CD1-CG1 3.55Å; Y42-V87 HydrophobicContact CD2-CB 4.21Å; Y42-V87 HydrophobicContact CD2-CG1 3.47Å; Y42-V87 VanDerWaalsContact CD2-CG1 3.47Å; Y42-V87 HydrophobicContact CE1-CG1 3.81Å; Y42-V87 HydrophobicContact CE2-CG1 3.72Å; Y42-V87 HydrophobicContact CG-CB 4.27Å; Y42-V87 HydrophobicContact CG-CG1 3.37Å; I82-V87 HydrophobicContact CG2-CG2 3.95Å; L85-V87 HydrophobicContact CB-CG1 3.62Å; L85-V87 PolarHBondContact O-N 3.08Å; V87-F92 HydrophobicContact CG2-CE2 4.16Å; V87-F92 HydrophobicContact CG2-CZ 3.93Å; V87-H146 WeakPolarHBondContact CG2-CE1 3.29Å; V87-H146 PolarHBondContact O-CE1 2.84Å
88G90.6Very high94.3Very high53 Ų5338.5 Ų38.555%0.54620%0.196SC..  trans-74.6-168.1173.300000112.2H146G88-H146 PolarHBondContact O-CE1 2.89Å; G88-H146 VanDerWaalsContact O-CE1 3.27Å; G88-H146 PolarHBondContact O-ND1 3.33Å
89D93Very high93.8Very high66 Ų6645.4 Ų45.435%0.35322%0.222SC..SBendtrans-60.4140.4-178.6-55.5-32.7000113.1R49 Q147 P148 S149R49-D89 PolarHBondContact NH2-O 3.46Å; D89-Q147 WeakPolarHBondContact OD1-CA 3.42Å; D89-P148 WeakPolarHBondContact OD1-CD 3.47Å; D89-S149 WeakPolarHBondContact OD1-CB 2.97Å; D89-S149 PolarHBondContact OD1-N 3.49Å; D89-S149 PolarHBondContact OD1-OG 3.07Å; D89-S149 VanDerWaalsContact OD2-CB 3.23Å; D89-S149 WeakPolarHBondContact OD2-CB 3.05Å; D89-S149 PolarHBondContact OD2-OG 2.96Å
90G94.7Very high93.1Very high5 Ų545.1 Ų45.15%0.05222%0.224CC..  trans147.7119.6176.300000111.2F92 H146 N172G90-F92 WeakPolarHBondContact O-CD2 3.34Å; G90-F92 WeakPolarHBondContact O-CE2 3.35Å; G90-H146 CarbonylContact C-O 3.49Å; G90-H146 PolarHBondContact N-O 3.38Å; G90-N172 PolarHBondContact O-ND2 3.13Å
91D97.1Very high92Very high22 Ų2247.1 Ų47.112%0.11824%0.236CC..  trans-65.9161.6-178.5-52.8-36.1000111.7V143 L144 Y145 H146 N171 N172D91-V143 HydrophobicContact CB-CB 3.86Å; D91-V143 HydrophobicContact CB-CG1 4.14Å; D91-V143 HydrophobicContact CB-CG2 3.99Å; D91-L144 WeakPolarHBondContact CA-O 3.43Å; D91-L144 WeakPolarHBondContact CB-O 3.36Å; D91-Y145 WeakPolarHBondContact OD1-CA 3.04Å; D91-H146 PolarHBondContact OD1-N 3.2Å; D91-N171 WeakPolarHBondContact O-CB 3.24Å; D91-N172 VanDerWaalsContact O-CB 3.3Å; D91-N172 WeakPolarHBondContact O-CB 3.45Å; D91-N172 PolarHBondContact O-N 3.39Å
92F98.3Very high90.6Very high0 Ų055.2 Ų55.20%027%0.274CS..EExtended strand (participates in β ladder)trans-118.8120.6-177.8-71.7-99.7000111.4A40 I82 V87 G90 I94 V143 L144 H146 N172 V174A40-F92 HydrophobicContact CB-CE1 4.23Å; I82-F92 HydrophobicContact CD1-CD1 4.5Å; I82-F92 HydrophobicContact CD1-CD2 4.25Å; I82-F92 HydrophobicContact CD1-CE2 4.46Å; I82-F92 HydrophobicContact CD1-CG 4.29Å; I82-F92 HydrophobicContact CG2-CD2 4.47Å; I82-F92 HydrophobicContact CG2-CE2 3.76Å; I82-F92 HydrophobicContact CG2-CZ 3.95Å; V87-F92 HydrophobicContact CG2-CE2 4.16Å; V87-F92 HydrophobicContact CG2-CZ 3.93Å; G90-F92 WeakPolarHBondContact O-CD2 3.34Å; G90-F92 WeakPolarHBondContact O-CE2 3.35Å; F92-I94 PolarHBondContact O-N 3.11Å; F92-V143 CarbonylContact O-C 3.59Å; F92-V143 VanDerWaalsContact O-CA 3.24Å; F92-V143 WeakPolarHBondContact O-CA 3.44Å; F92-L144 HydrophobicContact CB-CB 4.28Å; F92-L144 PolarHBondContact N-O 3.48Å; F92-L144 PolarHBondContact O-N 3.13Å; F92-H146 HydrophobicContact CD2-CB 3.89Å; F92-H146 HydrophobicContact CE2-CB 4.02Å; F92-H146 AromaticContact CE2-CG 3.8Å; F92-H146 AromaticContact CE2-ND1 3.89Å; F92-N172 CarbonylContact C-O 3.41Å; F92-N172 WeakPolarHBondContact CA-O 3.28Å; F92-N172 HydrophobicContact CD1-CB 3.44Å; F92-N172 VanDerWaalsContact CD1-CB 3.44Å; F92-N172 HydrophobicContact CD2-CB 4.29Å; F92-N172 HydrophobicContact CE1-CB 3.46Å; F92-N172 VanDerWaalsContact CE1-CB 3.46Å; F92-N172 HydrophobicContact CE2-CB 4.3Å; F92-N172 HydrophobicContact CG-CB 3.87Å; F92-N172 HydrophobicContact CZ-CB 3.9Å; F92-V174 HydrophobicContact CB-CG2 4.05Å; F92-V174 HydrophobicContact CD1-CG2 3.75Å; F92-V174 HydrophobicContact CG-CG2 4.19Å
93W98.7Very high89.1Confident0 Ų061.7 Ų61.70%030%0.304CS..EExtended strand (participates in β ladder)trans-56.2133.1168.4-69.2127.8000111.5L50 F52 L66 C141 V143 D165 N166 C169 N171 N172 F173 V174L50-W93 PolarHBondContact O-NE1 3.36Å; F52-W93 HydrophobicContact CB-CD2 4.28Å; F52-W93 HydrophobicContact CB-CZ2 4.44Å; F52-W93 HydrophobicContact CD2-CD2 4.05Å; F52-W93 AromaticContact CD2-CE3 3.8Å; F52-W93 HydrophobicContact CD2-CE3 3.8Å; F52-W93 HydrophobicContact CD2-CG 4.41Å; F52-W93 HydrophobicContact CD2-CZ3 4.38Å; L66-W93 HydrophobicContact CD2-CB 4.23Å; W93-C141 HydrophobicContact CE3-CB 4.15Å; W93-C141 HydrophobicContact CH2-CB 4.1Å; W93-C141 HydrophobicContact CZ3-CB 3.55Å; W93-V143 HydrophobicContact CD2-CG1 3.9Å; W93-V143 HydrophobicContact CE3-CB 4.49Å; W93-V143 HydrophobicContact CE3-CG1 3.29Å; W93-V143 HydrophobicContact CH2-CG1 3.92Å; W93-V143 HydrophobicContact CZ2-CG1 4.48Å; W93-V143 HydrophobicContact CZ3-CG1 3.3Å; W93-D165 HydrophobicContact CH2-CB 3.77Å; W93-D165 WeakPolarHBondContact CH2-OD2 3.45Å; W93-D165 HydrophobicContact CZ3-CB 3.92Å; W93-N166 WeakPolarHBondContact CH2-O 3.48Å; W93-C169 HydrophobicContact CH2-CB 4.31Å; W93-C169 HydrophobicContact CZ2-CB 4.03Å; W93-C169 WeakPolarHBondContact CZ2-O 3.32Å; W93-N171 HydrophobicContact CD2-CB 4.17Å; W93-N171 HydrophobicContact CG-CB 4.18Å; W93-N171 WeakPolarHBondContact CH2-ND2 3.24Å; W93-N171 HydrophobicContact CZ2-CB 4.25Å; W93-N171 WeakPolarHBondContact CZ2-ND2 3.21Å; W93-N172 PolarHBondContact N-O 2.75Å; W93-F173 HydrophobicContact CB-CB 3.95Å; W93-V174 PolarHBondContact O-N 3.05Å; W93-V174 VanDerWaalsContact O-N 3.15Å
94I98.7Very high87.6Confident0 Ų060.1 Ų60.10%030%0.296CS..EExtended strand (participates in β ladder)trans-118.9165.8167.462.9169.8000110.3F52 L67 F92 L96 W118 V142 L144 W162F52-I94 VanDerWaalsContact CE2-O 3.3Å; F52-I94 WeakPolarHBondContact CE2-O 3.34Å; L67-I94 HydrophobicContact CB-CB 4.46Å; L67-I94 HydrophobicContact CB-CG2 4.28Å; L67-I94 HydrophobicContact CD2-CG2 3.94Å; L67-I94 HydrophobicContact CG-CG2 4.41Å; F92-I94 PolarHBondContact O-N 3.11Å; I94-L96 HydrophobicContact CD1-CB 4.39Å; I94-L96 HydrophobicContact CG1-CB 4.41Å; I94-L96 PolarHBondContact O-N 3.26Å; I94-W118 HydrophobicContact CD1-CH2 4.2Å; I94-W118 HydrophobicContact CD1-CZ3 4.22Å; I94-V142 HydrophobicContact CD1-CB 4.43Å; I94-V142 HydrophobicContact CD1-CG1 3.79Å; I94-V142 HydrophobicContact CG1-CB 4.07Å; I94-V142 HydrophobicContact CG1-CG1 3.9Å; I94-V142 WeakPolarHBondContact CG1-O 3.38Å; I94-V142 PolarHBondContact N-O 3.25Å; I94-L144 HydrophobicContact CG2-CB 4.47Å; I94-L144 HydrophobicContact CG2-CD1 3.44Å; I94-L144 VanDerWaalsContact CG2-CD1 3.44Å; I94-L144 HydrophobicContact CG2-CG 3.56Å; I94-W162 HydrophobicContact CD1-CD2 4.05Å; I94-W162 HydrophobicContact CD1-CE3 4.44Å; I94-W162 HydrophobicContact CD1-CG 4.21Å
95G98.2Very high85.7Confident1 Ų159.7 Ų59.71%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-76.918.1-171.300000115.4L66 L67 W118 V119L66-G95 VanDerWaalsContact CB-CA 3.42Å; L67-G95 PolarHBondContact O-N 3.19Å; G95-W118 CarbonylContact O-C 3.44Å; G95-W118 WeakPolarHBondContact O-CA 3.5Å; G95-V119 WeakPolarHBondContact O-CG2 3.11Å; G95-V119 PolarHBondContact O-N 3.5Å
96L97.6Very high84.3Confident0 Ų061.4 Ų61.40%033%0.331CS..EExtended strand (participates in β ladder)trans-94.6130.5-179.8-164.468.1000109.7I94 Y116 W118 W129 V142 W162I94-L96 HydrophobicContact CD1-CB 4.39Å; I94-L96 HydrophobicContact CG1-CB 4.41Å; I94-L96 PolarHBondContact O-N 3.26Å; L96-Y116 HydrophobicContact CD2-CD1 4.38Å; L96-Y116 HydrophobicContact CG-CD1 4.06Å; L96-Y116 HydrophobicContact CG-CG 4.44Å; L96-W118 HydrophobicContact CB-CD2 4.46Å; L96-W118 HydrophobicContact CB-CE3 3.81Å; L96-W118 HydrophobicContact CB-CH2 4.04Å; L96-W118 HydrophobicContact CB-CZ3 3.57Å; L96-W118 HydrophobicContact CD1-CD2 3.67Å; L96-W118 HydrophobicContact CD1-CE3 3.9Å; L96-W118 HydrophobicContact CD1-CG 4.16Å; L96-W118 HydrophobicContact CD1-CH2 4.24Å; L96-W118 HydrophobicContact CD1-CZ2 4.04Å; L96-W118 HydrophobicContact CD1-CZ3 4.18Å; L96-W118 HydrophobicContact CD2-CH2 4.48Å; L96-W118 HydrophobicContact CG-CE3 4.46Å; L96-W118 HydrophobicContact CG-CH2 4.49Å; L96-W118 HydrophobicContact CG-CZ3 4.38Å; L96-W129 HydrophobicContact CD2-CH2 3.79Å; L96-W129 HydrophobicContact CD2-CZ2 3.62Å; L96-V142 HydrophobicContact CB-CB 3.91Å; L96-V142 HydrophobicContact CB-CG1 4.38Å; L96-V142 HydrophobicContact CB-CG2 3.88Å; L96-V142 HydrophobicContact CD2-CG1 4.39Å; L96-V142 HydrophobicContact CD2-CG2 4.08Å; L96-V142 HydrophobicContact CG-CG2 4.06Å; L96-V142 WeakPolarHBondContact O-CB 3.4Å; L96-V142 WeakPolarHBondContact O-CG2 3.36Å; L96-V142 PolarHBondContact O-N 2.79Å; L96-W162 HydrophobicContact CD2-CE3 3.84Å; L96-W162 HydrophobicContact CD2-CZ3 3.81Å
97R95.6Very high82.8Confident55 Ų5560.6 Ų60.621%0.20834%0.335CS..EExtended strand (participates in β ladder)trans-144.6143-178.3-174.7176.3177.1171.41.3111.5F52 E53 Y116 Y117 V119 M140F52-R97 HydrophobicContact CZ-CB 4.17Å; E53-R97 IonicContact OE2-NH1 3.91Å; E53-R97 PolarHBondContact OE2-NH1 3.23Å; R97-Y116 CarbonylContact O-C 3.49Å; R97-Y116 WeakPolarHBondContact O-CA 3.36Å; R97-Y117 HydrophobicContact CB-CE1 4.5Å; R97-Y117 PolarHBondContact N-O 3.34Å; R97-Y117 WeakPolarHBondContact O-CD1 3.39Å; R97-Y117 WeakPolarHBondContact O-CE1 3.34Å; R97-Y117 PolarHBondContact O-N 2.93Å; R97-V119 HydrophobicContact CB-CG1 4.11Å; R97-M140 CarbonylContact C-O 3.46Å; R97-M140 VanDerWaalsContact CA-O 3.26Å; R97-M140 WeakPolarHBondContact CA-O 3.42Å; R97-M140 WeakPolarHBondContact CG-O 3.15Å
98R93.1Very high81.5Confident22 Ų2267.1 Ų67.18%0.08337%0.37CS..EExtended strand (participates in β ladder)trans-79.5140.8172.9-167.2165.152.6150.4-0.6111.2Q115 Y116 C136 G137 E139 M140R98-Q115 HydrophobicContact CG-CB 3.73Å; R98-Y116 HydrophobicContact CB-CD1 3.96Å; R98-Y116 HydrophobicContact CB-CD2 4.32Å; R98-Y116 HydrophobicContact CB-CE1 3.66Å; R98-Y116 HydrophobicContact CB-CE2 4.07Å; R98-Y116 HydrophobicContact CB-CG 4.27Å; R98-Y116 HydrophobicContact CG-CD2 4.42Å; R98-Y116 HydrophobicContact CG-CE2 4.21Å; R98-C136 VanDerWaalsContact NH1-C 3.28Å; R98-C136 PolarHBondContact NH1-O 3.43Å; R98-G137 PolarHBondContact NH2-O 2.63Å; R98-E139 PolarHBondContact NH2-O 2.97Å; R98-M140 HydrophobicContact CB-CB 4.3Å; R98-M140 HydrophobicContact CB-CG 4.42Å; R98-M140 PolarHBondContact N-O 3.49Å
99R86.4Confident80.2Confident144 Ų14470 Ų7054%0.54337%0.373SS..PPolyproline II helixtrans-64.9136.7171.3-67.2-176.4-177.4163.31.7110.1Q115 Y117R99-Q115 PolarHBondContact N-O 3.01Å; R99-Q115 VanDerWaalsContact N-O 3.12Å; R99-Y117 HydrophobicContact CB-CE1 4.38Å; R99-Y117 HydrophobicContact CG-CD1 3.47Å; R99-Y117 VanDerWaalsContact CG-CD1 3.47Å; R99-Y117 HydrophobicContact CG-CE1 3.52Å
100P80.3Confident79Confident39 Ų3969.8 Ų69.825%0.25338%0.375SS..PPolyproline II helixtrans-61146.9174.7-16.727.6000110.8H102 H103P100-H102 PolarHBondContact O-N 3.29Å; P100-H102 VanDerWaalsContact O-N 3.14Å; P100-H103 PolarHBondContact O-N 3.01Å
101P69.5Low78Confident85 Ų8572 Ų7255%0.55240%0.398SS*.G310 helixtrans-53.7-37.6-177.3-26.833.6000113.8H103 Q104P101-H103 PolarHBondContact O-N 3.5Å; P101-H103 VanDerWaalsContact O-N 3.11Å; P101-Q104 WeakPolarHBondContact O-CB 3.4Å; P101-Q104 PolarHBondContact O-N 3.01Å
102H64.9Low77.2Confident180 Ų18072.1 Ų72.183%0.83340%0.4SS*.G310 helixtrans-65.7-13.8-179.7-60.5-61.6000114.6P100P100-H102 PolarHBondContact O-N 3.29Å; P100-H102 VanDerWaalsContact O-N 3.14Å
103H61.5Low76.4Confident137 Ų13775.1 Ų75.163%0.63442%0.42SS*.G310 helixtrans-90.71.1175.1-72.8-81.7000113.4P100 P101 T105P100-H103 PolarHBondContact O-N 3.01Å; P101-H103 PolarHBondContact O-N 3.5Å; P101-H103 VanDerWaalsContact O-N 3.11Å; H103-T105 PolarHBondContact O-N 3.17Å
104Q60.8Low75.6Confident74 Ų7478.7 Ų78.735%0.34644%0.444SS..  trans-82.493.6174.1-62.5177.55.400109.4P101 N109P101-Q104 WeakPolarHBondContact O-CB 3.4Å; P101-Q104 PolarHBondContact O-N 3.01Å; Q104-N109 PolarHBondContact OE1-OD1 3.5Å
105T52.6Low75.1Confident143 Ų14379.6 Ų79.688%0.87745%0.449SS*.  trans-93.2102.7172.632.30000108.8H103H103-T105 PolarHBondContact O-N 3.17Å
106G60.2Low74.8Confident61 Ų6179.9 Ų79.963%0.62945%0.45SS*.SBendtrans131.7157.8171.800000114.5N108G106-N108 PolarHBondContact O-N 2.99Å
107N57.8Low74.7Confident173 Ų17383.8 Ų83.893%0.92547%0.465SS*.SBendtrans-73.68-176-134.423.5000114.3
108N63.1Low74.8Confident150 Ų15081.4 Ų81.480%0.80246%0.456SS*.  trans-104.393.6179-64.5-30.7000107.1G106 P110G106-N108 PolarHBondContact O-N 2.99Å; N108-P110 WeakPolarHBondContact O-CD 3.34Å
109N62.2Low75Confident114 Ų11481.1 Ų81.161%0.6146%0.456SS*.  trans-79.3101.1170.6-170.914.3000107.4Q104 G111 Q115Q104-N109 PolarHBondContact OE1-OD1 3.5Å; N109-G111 PolarHBondContact O-N 2.75Å; N109-Q115 PolarHBondContact OD1-NE2 3.06Å
110P68.5Low75.4Confident60 Ų6075.8 Ų75.839%0.3944%0.439SS..  trans-68.5135.4-178.836.9-36.5000106.6N108 C112 S114 Q115N108-P110 WeakPolarHBondContact O-CD 3.34Å; P110-C112 PolarHBondContact O-N 3.49Å; P110-S114 VanDerWaalsContact C-OG 3.28Å; P110-S114 VanDerWaalsContact CB-OG 3.27Å; P110-S114 WeakPolarHBondContact CB-OG 3.22Å; P110-Q115 HydrophobicContact CG-CG 3.97Å; P110-Q115 WeakPolarHBondContact O-CG 3.34Å; P110-Q115 PolarHBondContact O-NE2 2.98Å
111G73.1Confident76.1Confident52 Ų5276.7 Ų76.754%0.53646%0.455SS..  trans-50.1142.9-173.800000111.9N109 P113 S114N109-G111 PolarHBondContact O-N 2.75Å; G111-P113 VanDerWaalsContact C-CD 3.5Å; G111-S114 PolarHBondContact N-OG 3.35Å; G111-S114 WeakPolarHBondContact O-CB 3.47Å; G111-S114 PolarHBondContact O-N 2.91Å; G111-S114 PolarHBondContact O-OG 2.68Å
112C80.3Confident77.3Confident25 Ų2573.5 Ų73.517%0.16944%0.435CS..G310 helixtrans-46.3-46.8-160.9168.10000116.9P110 S114 Q115 C136P110-C112 PolarHBondContact O-N 3.49Å; C112-S114 PolarHBondContact O-N 3.47Å; C112-Q115 VanDerWaalsContact O-CB 3.3Å; C112-Q115 WeakPolarHBondContact O-CB 3.31Å; C112-Q115 PolarHBondContact O-N 2.76Å; C112-C136 HydrophobicContact CB-CB 3.67Å; C112-C136 WeakPolarHBondContact CB-SG 3.44Å; C112-C136 VanDerWaalsContact SG-CA 3.59Å; C112-C136 WeakPolarHBondContact SG-CB 3.45Å; C112-C136 CovalentContact SG-SG 1.97Å; C112-C136 PolarHBondContact SG-SG 3.3Å
113P80.6Confident78.7Confident63 Ų6374.6 Ų74.641%0.40944%0.437SS..G310 helixtrans-58.4-27.4179.6-24.433.5000113.8G111 Q115 Y116 P134G111-P113 VanDerWaalsContact C-CD 3.5Å; P113-Q115 VanDerWaalsContact C-N 3.26Å; P113-Q115 PolarHBondContact O-N 2.96Å; P113-Y116 PolarHBondContact O-N 2.77Å; P113-P134 HydrophobicContact CB-CG 4.34Å; P113-P134 HydrophobicContact CG-CG 4.13Å
114S83.1Confident80.1Confident75 Ų7568.7 Ų68.752%0.52441%0.412SS..G310 helixtrans-77.4-8.9178.770.60000114.1P110 G111 C112 Y116P110-S114 VanDerWaalsContact C-OG 3.28Å; P110-S114 VanDerWaalsContact CB-OG 3.27Å; P110-S114 WeakPolarHBondContact CB-OG 3.22Å; G111-S114 PolarHBondContact N-OG 3.35Å; G111-S114 WeakPolarHBondContact O-CB 3.47Å; G111-S114 PolarHBondContact O-N 2.91Å; G111-S114 PolarHBondContact O-OG 2.68Å; C112-S114 PolarHBondContact O-N 3.47Å; S114-Y116 VanDerWaalsContact C-N 3.3Å
115Q87.6Confident81.6Confident19 Ų1974.3 Ų74.39%0.08944%0.435CS..G310 helixtrans-81.7-11.4175-59177.822.800112.8R98 R99 N109 P110 C112 P113R98-Q115 HydrophobicContact CG-CB 3.73Å; R99-Q115 PolarHBondContact N-O 3.01Å; R99-Q115 VanDerWaalsContact N-O 3.12Å; N109-Q115 PolarHBondContact OD1-NE2 3.06Å; P110-Q115 HydrophobicContact CG-CG 3.97Å; P110-Q115 WeakPolarHBondContact O-CG 3.34Å; P110-Q115 PolarHBondContact O-NE2 2.98Å; C112-Q115 VanDerWaalsContact O-CB 3.3Å; C112-Q115 WeakPolarHBondContact O-CB 3.31Å; C112-Q115 PolarHBondContact O-N 2.76Å; P113-Q115 VanDerWaalsContact C-N 3.26Å; P113-Q115 PolarHBondContact O-N 2.96Å
116Y92.6Very high83.6Confident7 Ų770 Ų703%0.02740%0.403CS..EExtended strand (participates in β ladder)trans-82.7129.1178.3-76-91.7000111.8L96 R97 R98 P113 S114 W129 P134 V142 D164L96-Y116 HydrophobicContact CD2-CD1 4.38Å; L96-Y116 HydrophobicContact CG-CD1 4.06Å; L96-Y116 HydrophobicContact CG-CG 4.44Å; R97-Y116 CarbonylContact O-C 3.49Å; R97-Y116 WeakPolarHBondContact O-CA 3.36Å; R98-Y116 HydrophobicContact CB-CD1 3.96Å; R98-Y116 HydrophobicContact CB-CD2 4.32Å; R98-Y116 HydrophobicContact CB-CE1 3.66Å; R98-Y116 HydrophobicContact CB-CE2 4.07Å; R98-Y116 HydrophobicContact CB-CG 4.27Å; R98-Y116 HydrophobicContact CG-CD2 4.42Å; R98-Y116 HydrophobicContact CG-CE2 4.21Å; P113-Y116 PolarHBondContact O-N 2.77Å; S114-Y116 VanDerWaalsContact C-N 3.3Å; Y116-W129 AromaticContact CD1-CH2 3.92Å; Y116-W129 HydrophobicContact CD1-CH2 3.92Å; Y116-W129 HydrophobicContact CD1-CZ2 4.26Å; Y116-W129 HydrophobicContact CD2-CH2 4.21Å; Y116-W129 HydrophobicContact CD2-CZ2 4.01Å; Y116-W129 AromaticContact CE1-CH2 3.92Å; Y116-W129 HydrophobicContact CE1-CH2 3.92Å; Y116-W129 HydrophobicContact CE2-CH2 4.2Å; Y116-W129 HydrophobicContact CE2-CZ2 4.36Å; Y116-W129 HydrophobicContact CG-CH2 4.08Å; Y116-W129 AromaticContact CG-CZ2 3.96Å; Y116-W129 HydrophobicContact CG-CZ2 3.96Å; Y116-P134 HydrophobicContact CD2-CG 4.19Å; Y116-P134 HydrophobicContact CE2-CB 3.61Å; Y116-P134 HydrophobicContact CE2-CG 3.62Å; Y116-V142 HydrophobicContact CD1-CG2 3.73Å; Y116-V142 HydrophobicContact CE1-CG2 3.53Å; Y116-D164 HydrophobicContact CE1-CB 4.39Å; Y116-D164 VanDerWaalsContact OH-CB 3.22Å; Y116-D164 WeakPolarHBondContact OH-CB 3.33Å; Y116-D164 PolarHBondContact OH-OD2 2.93Å
117Y94.9Very high85.2Confident82 Ų8270.8 Ų70.832%0.32239%0.387SS..EExtended strand (participates in β ladder)trans-128.7154.1179.171-81000111R97 R99 V119R97-Y117 HydrophobicContact CB-CE1 4.5Å; R97-Y117 PolarHBondContact N-O 3.34Å; R97-Y117 WeakPolarHBondContact O-CD1 3.39Å; R97-Y117 WeakPolarHBondContact O-CE1 3.34Å; R97-Y117 PolarHBondContact O-N 2.93Å; R99-Y117 HydrophobicContact CB-CE1 4.38Å; R99-Y117 HydrophobicContact CG-CD1 3.47Å; R99-Y117 VanDerWaalsContact CG-CD1 3.47Å; R99-Y117 HydrophobicContact CG-CE1 3.52Å; Y117-V119 HydrophobicContact CE2-CG1 4.43Å
118W97.3Very high87Confident5 Ų563.5 Ų63.52%0.01935%0.348CS..EExtended strand (participates in β ladder)trans-82.3129.8175.2-61.9107.3000110.8L67 S68 I69 I94 G95 L96 D120 G121 A124 W162L67-W118 WeakPolarHBondContact O-CZ3 3.46Å; S68-W118 VanDerWaalsContact CA-CE3 3.49Å; I69-W118 HydrophobicContact CB-CH2 4.1Å; I69-W118 HydrophobicContact CB-CZ2 4.44Å; I69-W118 HydrophobicContact CG1-CH2 4.39Å; I69-W118 VanDerWaalsContact N-CH2 3.26Å; I69-W118 VanDerWaalsContact O-CZ2 3.28Å; I69-W118 WeakPolarHBondContact O-CZ2 3.32Å; I94-W118 HydrophobicContact CD1-CH2 4.2Å; I94-W118 HydrophobicContact CD1-CZ3 4.22Å; G95-W118 CarbonylContact O-C 3.44Å; G95-W118 WeakPolarHBondContact O-CA 3.5Å; L96-W118 HydrophobicContact CB-CD2 4.46Å; L96-W118 HydrophobicContact CB-CE3 3.81Å; L96-W118 HydrophobicContact CB-CH2 4.04Å; L96-W118 HydrophobicContact CB-CZ3 3.57Å; L96-W118 HydrophobicContact CD1-CD2 3.67Å; L96-W118 HydrophobicContact CD1-CE3 3.9Å; L96-W118 HydrophobicContact CD1-CG 4.16Å; L96-W118 HydrophobicContact CD1-CH2 4.24Å; L96-W118 HydrophobicContact CD1-CZ2 4.04Å; L96-W118 HydrophobicContact CD1-CZ3 4.18Å; L96-W118 HydrophobicContact CD2-CH2 4.48Å; L96-W118 HydrophobicContact CG-CE3 4.46Å; L96-W118 HydrophobicContact CG-CH2 4.49Å; L96-W118 HydrophobicContact CG-CZ3 4.38Å; W118-D120 WeakPolarHBondContact CB-OD1 3.27Å; W118-D120 PolarHBondContact O-N 2.99Å; W118-G121 PolarHBondContact O-N 2.83Å; W118-A124 PolarHBondContact NE1-O 2.74Å; W118-W162 AromaticContact CH2-CH2 3.78Å; W118-W162 HydrophobicContact CH2-CH2 3.78Å; W118-W162 HydrophobicContact CH2-CZ2 4.39Å; W118-W162 AromaticContact CH2-CZ3 4Å; W118-W162 HydrophobicContact CH2-CZ3 4Å; W118-W162 AromaticContact CZ2-CH2 3.75Å; W118-W162 HydrophobicContact CZ2-CH2 3.75Å; W118-W162 AromaticContact CZ2-CZ3 4Å; W118-W162 HydrophobicContact CZ2-CZ3 4Å
119V97.2Very high88.5Confident15 Ų1558.1 Ų58.19%0.09132%0.317CS..THydrogen-bonded Turntrans-68.3-17.1-177.7-61.10000113.5F52 E65 L66 G95 R97 Y117 G121F52-V119 HydrophobicContact CE1-CG1 4.28Å; F52-V119 HydrophobicContact CZ-CG1 3.98Å; E65-V119 HydrophobicContact CG-CG2 3.88Å; L66-V119 HydrophobicContact CB-CG2 4.24Å; G95-V119 WeakPolarHBondContact O-CG2 3.11Å; G95-V119 PolarHBondContact O-N 3.5Å; R97-V119 HydrophobicContact CB-CG1 4.11Å; Y117-V119 HydrophobicContact CE2-CG1 4.43Å; V119-G121 VanDerWaalsContact C-N 3.28Å
120D95.7Very high89.8Confident33 Ų3354.2 Ų54.218%0.17630%0.296CS..THydrogen-bonded Turntrans-851.9173.679.2-22.5000113.5E65 S68 W118 S122 K178E65-D120 HydrophobicContact CB-CB 3.96Å; E65-D120 HydrophobicContact CG-CB 3.47Å; E65-D120 VanDerWaalsContact CG-CB 3.47Å; S68-D120 VanDerWaalsContact CB-OD2 3.27Å; S68-D120 WeakPolarHBondContact CB-OD2 3.16Å; S68-D120 PolarHBondContact OG-OD2 2.95Å; W118-D120 WeakPolarHBondContact CB-OD1 3.27Å; W118-D120 PolarHBondContact O-N 2.99Å; D120-S122 VanDerWaalsContact C-N 3.3Å; D120-S122 PolarHBondContact O-N 3.26Å; D120-S122 WeakPolarHBondContact OD1-CB 3.42Å; D120-S122 PolarHBondContact OD1-N 2.72Å; D120-K178 WeakPolarHBondContact OD2-CE 3.4Å; D120-K178 IonicContact OD2-NZ 2.8Å; D120-K178 PolarHBondContact OD2-NZ 3.25Å
121G95.1Very high90.6Very high57 Ų5761.2 Ų61.259%0.58832%0.315SS*.  trans77.75.7-17800000115.2W118 V119W118-G121 PolarHBondContact O-N 2.83Å; V119-G121 VanDerWaalsContact C-N 3.28Å
122S94.6Very high91.2Very high19 Ų1965 Ų6513%0.13332%0.323CS..  trans-58.1140.4175.8-178.60000111.4D120 A124D120-S122 VanDerWaalsContact C-N 3.3Å; D120-S122 PolarHBondContact O-N 3.26Å; D120-S122 WeakPolarHBondContact OD1-CB 3.42Å; D120-S122 PolarHBondContact OD1-N 2.72Å; S122-A124 VanDerWaalsContact C-N 3.35Å; S122-A124 PolarHBondContact OG-N 3.02Å
123K93.9Very high91.6Very high202 Ų20266 Ų6688%0.87833%0.325SS*.  trans-97.515.3176.8-62.2-175.5-179.4179.40112.5K125K123-K125 PolarHBondContact O-N 3.26Å
124A90.7Very high92Very high13 Ų1363.5 Ų63.511%0.10731%0.309CS..  trans-56.7134.4-177.400000112.7E70 W118 S122 R127E70-A124 HydrophobicContact CB-CB 3.85Å; E70-A124 HydrophobicContact CG-CB 3.84Å; W118-A124 PolarHBondContact NE1-O 2.74Å; S122-A124 VanDerWaalsContact C-N 3.35Å; S122-A124 PolarHBondContact OG-N 3.02Å; A124-R127 PolarHBondContact O-NH1 3.37Å; A124-R127 PolarHBondContact O-NH2 2.8Å
125K92.1Very high92.1Very high192 Ų19262.6 Ų62.684%0.83530%0.302SS*.  trans-96.8-16179.6-62.9-176180-178.80113.5K123 R127K123-K125 PolarHBondContact O-N 3.26Å; K125-R127 PolarHBondContact O-N 2.87Å
126Y95.4Very high91.8Very high54 Ų5463.6 Ų63.621%0.21231%0.311CS..  trans-57.9134.8177.6177.5-101.2000110.8I69 E70 E72 Q75 N128 W162I69-Y126 HydrophobicContact CG2-CD1 3.86Å; I69-Y126 HydrophobicContact CG2-CE1 3.86Å; E70-Y126 WeakPolarHBondContact O-CB 3.46Å; E72-Y126 HydrophobicContact CB-CD2 4.35Å; E72-Y126 HydrophobicContact CB-CE2 3.65Å; E72-Y126 HydrophobicContact CG-CE2 4.15Å; Q75-Y126 HydrophobicContact CB-CE1 3.84Å; Q75-Y126 HydrophobicContact CG-CE1 4.34Å; Y126-N128 HydrophobicContact CE1-CB 3.98Å; Y126-W162 AromaticContact CD1-CH2 3.95Å; Y126-W162 HydrophobicContact CD1-CH2 3.95Å; Y126-W162 AromaticContact CD1-CZ2 3.98Å; Y126-W162 HydrophobicContact CD1-CZ2 3.98Å; Y126-W162 HydrophobicContact CE1-CH2 4.24Å; Y126-W162 AromaticContact CE1-CZ2 3.83Å; Y126-W162 HydrophobicContact CE1-CZ2 3.83Å; Y126-W162 WeakPolarHBondContact O-CH2 3.35Å
127R93.8Very high91.4Very high77 Ų7765.6 Ų65.629%0.29133%0.333SS..  trans-138.7136.7178.1-63.3-60.8179.4-94.13.2108.8A124 K125 W162A124-R127 PolarHBondContact O-NH1 3.37Å; A124-R127 PolarHBondContact O-NH2 2.8Å; K125-R127 PolarHBondContact O-N 2.87Å; R127-W162 HydrophobicContact CB-CZ3 4.28Å
128N95Very high91Very high19 Ų1966.5 Ų66.510%0.10235%0.352CS..  trans-128.347.5176.7-169.439000110.5Q75 Y126 F160 K161 W162Q75-N128 PolarHBondContact NE2-ND2 3.27Å; Q75-N128 VanDerWaalsContact NE2-ND2 3.19Å; Y126-N128 HydrophobicContact CE1-CB 3.98Å; N128-F160 PolarHBondContact ND2-O 3.32Å; N128-K161 WeakPolarHBondContact OD1-CD 3.41Å; N128-K161 PolarHBondContact OD1-NZ 3.35Å; N128-W162 HydrophobicContact CB-CD2 4.13Å; N128-W162 HydrophobicContact CB-CG 4.38Å; N128-W162 HydrophobicContact CB-CZ2 3.96Å; N128-W162 PolarHBondContact O-N 3.04Å
129W94Very high90.7Very high37 Ų3769 Ų6914%0.1436%0.363CS..BIsolated β-bridgetrans-56.3147.2176.1-63.8117.2000111.4L96 Y116 E133 P134 V142 W162L96-W129 HydrophobicContact CD2-CH2 3.79Å; L96-W129 HydrophobicContact CD2-CZ2 3.62Å; Y116-W129 AromaticContact CD1-CH2 3.92Å; Y116-W129 HydrophobicContact CD1-CH2 3.92Å; Y116-W129 HydrophobicContact CD1-CZ2 4.26Å; Y116-W129 HydrophobicContact CD2-CH2 4.21Å; Y116-W129 HydrophobicContact CD2-CZ2 4.01Å; Y116-W129 AromaticContact CE1-CH2 3.92Å; Y116-W129 HydrophobicContact CE1-CH2 3.92Å; Y116-W129 HydrophobicContact CE2-CH2 4.2Å; Y116-W129 HydrophobicContact CE2-CZ2 4.36Å; Y116-W129 HydrophobicContact CG-CH2 4.08Å; Y116-W129 AromaticContact CG-CZ2 3.96Å; Y116-W129 HydrophobicContact CG-CZ2 3.96Å; W129-E133 HydrophobicContact CB-CB 4.28Å; W129-E133 WeakPolarHBondContact CB-O 3.39Å; W129-E133 HydrophobicContact CE3-CB 4.11Å; W129-P134 HydrophobicContact CD2-CG 4.47Å; W129-P134 HydrophobicContact CE3-CB 4.26Å; W129-P134 HydrophobicContact CH2-CB 3.92Å; W129-P134 HydrophobicContact CH2-CG 4.21Å; W129-P134 HydrophobicContact CZ2-CB 4.29Å; W129-P134 HydrophobicContact CZ2-CG 4.06Å; W129-P134 HydrophobicContact CZ3-CB 3.92Å; W129-P134 HydrophobicContact CZ3-CG 4.49Å; W129-V142 HydrophobicContact CH2-CG1 4.11Å; W129-V142 HydrophobicContact CH2-CG2 3.59Å; W129-V142 HydrophobicContact CZ3-CG1 3.83Å; W129-V142 HydrophobicContact CZ3-CG2 3.96Å; W129-W162 HydrophobicContact CD2-CB 4.29Å; W129-W162 HydrophobicContact CD2-CE3 4.47Å; W129-W162 HydrophobicContact CE3-CB 3.7Å; W129-W162 HydrophobicContact CZ3-CB 4.12Å
130N91.3Very high90.5Very high33 Ų3370.7 Ų70.718%0.17637%0.371CS..PPolyproline II helixtrans-65.3163.7165.8-16626.2000110.4D132 E133 F158 K161 W162N130-D132 PolarHBondContact O-N 3.4Å; N130-E133 HydrophobicContact CB-CB 4.11Å; N130-E133 HydrophobicContact CB-CG 3.76Å; N130-E133 PolarHBondContact O-N 3.22Å; N130-E133 VanDerWaalsContact O-N 3.11Å; N130-F158 WeakPolarHBondContact ND2-CD1 3.4Å; N130-F158 VanDerWaalsContact OD1-CD1 3.23Å; N130-F158 WeakPolarHBondContact OD1-CD1 3.49Å; N130-K161 HydrophobicContact CB-CB 3.73Å; N130-W162 PolarHBondContact N-O 3.24Å
131W85.3Confident90.6Very high207 Ų20769.1 Ų69.178%0.78436%0.363SS*.THydrogen-bonded Turntrans-56.2134.1170-175.2-87000109.6E133W131-E133 PolarHBondContact O-N 2.9Å
132D84.9Confident90.7Very high132 Ų13266.4 Ų66.471%0.70634%0.335SS*.THydrogen-bonded Turntrans64.210.9-174.4-61.1-33.4000117.2N130N130-D132 PolarHBondContact O-N 3.4Å
133E89.6Confident90.9Very high44 Ų4465.6 Ų65.621%0.20633%0.329CS..  trans-103.9152.1175.4-67.3-61.3154.600112.9W129 N130 W131 S135 N163W129-E133 HydrophobicContact CB-CB 4.28Å; W129-E133 WeakPolarHBondContact CB-O 3.39Å; W129-E133 HydrophobicContact CE3-CB 4.11Å; N130-E133 HydrophobicContact CB-CB 4.11Å; N130-E133 HydrophobicContact CB-CG 3.76Å; N130-E133 PolarHBondContact O-N 3.22Å; N130-E133 VanDerWaalsContact O-N 3.11Å; W131-E133 PolarHBondContact O-N 2.9Å; E133-S135 PolarHBondContact OE2-N 3.49Å; E133-N163 WeakPolarHBondContact CG-OD1 3.39Å; E133-N163 PolarHBondContact OE1-OD1 2.94Å; E133-N163 VanDerWaalsContact OE1-OD1 3.1Å
134P87.3Confident91Very high12 Ų1256 Ų568%0.07829%0.287CS..  cis-71.7147.8-3.828.6-32.1000113P113 Y116 W129 C136 D164P113-P134 HydrophobicContact CB-CG 4.34Å; P113-P134 HydrophobicContact CG-CG 4.13Å; Y116-P134 HydrophobicContact CD2-CG 4.19Å; Y116-P134 HydrophobicContact CE2-CB 3.61Å; Y116-P134 HydrophobicContact CE2-CG 3.62Å; W129-P134 HydrophobicContact CD2-CG 4.47Å; W129-P134 HydrophobicContact CE3-CB 4.26Å; W129-P134 HydrophobicContact CH2-CB 3.92Å; W129-P134 HydrophobicContact CH2-CG 4.21Å; W129-P134 HydrophobicContact CZ2-CB 4.29Å; W129-P134 HydrophobicContact CZ2-CG 4.06Å; W129-P134 HydrophobicContact CZ3-CB 3.92Å; W129-P134 HydrophobicContact CZ3-CG 4.49Å; P134-C136 PolarHBondContact O-N 2.84Å; P134-C136 PolarHBondContact O-SG 2.85Å; P134-D164 HydrophobicContact CB-CB 4.27Å; P134-D164 WeakPolarHBondContact CB-OD2 3.46Å
135S85.4Confident91.2Very high55 Ų5557.9 Ų57.939%0.38529%0.292SS..  trans-65-25.1175.873.10000113.4E133 G137 E139 D164E133-S135 PolarHBondContact OE2-N 3.49Å; S135-G137 PolarHBondContact O-N 3.42Å; S135-G137 VanDerWaalsContact O-N 3.1Å; S135-E139 PolarHBondContact OG-OE2 3.45Å; S135-D164 VanDerWaalsContact CB-OD1 3.3Å; S135-D164 WeakPolarHBondContact CB-OD1 3.49Å; S135-D164 PolarHBondContact N-OD1 3.46Å; S135-D164 PolarHBondContact N-OD2 2.97Å; S135-D164 VanDerWaalsContact OG-CG 3.31Å; S135-D164 PolarHBondContact OG-OD1 2.9Å; S135-D164 PolarHBondContact OG-OD2 3.18Å
136C81.8Confident91.3Very high41 Ų4149 Ų4928%0.27725%0.253SS..  trans62.915.2177.7-51.70000114.7R98 C112 P134 D164R98-C136 VanDerWaalsContact NH1-C 3.28Å; R98-C136 PolarHBondContact NH1-O 3.43Å; C112-C136 HydrophobicContact CB-CB 3.67Å; C112-C136 WeakPolarHBondContact CB-SG 3.44Å; C112-C136 VanDerWaalsContact SG-CA 3.59Å; C112-C136 WeakPolarHBondContact SG-CB 3.45Å; C112-C136 CovalentContact SG-SG 1.97Å; C112-C136 PolarHBondContact SG-SG 3.3Å; P134-C136 PolarHBondContact O-N 2.84Å; P134-C136 PolarHBondContact O-SG 2.85Å; C136-D164 PolarHBondContact N-OD2 3.23Å; C136-D164 VanDerWaalsContact N-OD2 3.1Å
137G84.7Confident91.2Very high48 Ų4849.9 Ų49.950%0.49526%0.259SS..SBendtrans-78.8-122.6-177.800000112.9R98 S135R98-G137 PolarHBondContact NH2-O 2.63Å; S135-G137 PolarHBondContact O-N 3.42Å; S135-G137 VanDerWaalsContact O-N 3.1Å
138S85.5Confident91Very high101 Ų10149.4 Ų49.471%0.70627%0.266SS*.SBendtrans-90.3-10.9172.7660000112.9
139E91.6Very high90.7Very high57 Ų5752.7 Ų52.727%0.26629%0.291SS..  trans-76136.5179-63.2179.6136.200109.5R98 S135 D164 N166R98-E139 PolarHBondContact NH2-O 2.97Å; S135-E139 PolarHBondContact OG-OE2 3.45Å; E139-D164 HydrophobicContact CB-CB 4.13Å; E139-N166 HydrophobicContact CG-CB 4.45Å
140M93.1Very high90.2Very high51 Ų5152.7 Ų52.725%0.25130%0.299SS..  trans-140.8-17.2-168-70.3-171.8-72.500112.9R97 R98 D165R97-M140 CarbonylContact C-O 3.46Å; R97-M140 VanDerWaalsContact CA-O 3.26Å; R97-M140 WeakPolarHBondContact CA-O 3.42Å; R97-M140 WeakPolarHBondContact CG-O 3.15Å; R98-M140 HydrophobicContact CB-CB 4.3Å; R98-M140 HydrophobicContact CB-CG 4.42Å; R98-M140 PolarHBondContact N-O 3.49Å; M140-D165 PolarHBondContact N-O 3.01Å
141C97.2Very high89.5Confident0 Ų057 Ų570%033%0.328CS..EExtended strand (participates in β ladder)trans-105157.6178.8-70.70000108.7F52 W93 D164 D165 C167F52-C141 HydrophobicContact CB-CB 4.11Å; F52-C141 VanDerWaalsContact CB-SG 3.59Å; F52-C141 VanDerWaalsContact CD1-SG 3.6Å; F52-C141 HydrophobicContact CD2-CB 3.49Å; F52-C141 VanDerWaalsContact CD2-CB 3.49Å; F52-C141 WeakPolarHBondContact CD2-SG 3.38Å; F52-C141 HydrophobicContact CE2-CB 3.99Å; F52-C141 HydrophobicContact CG-CB 3.86Å; F52-C141 WeakPolarHBondContact CG-SG 3.3Å; W93-C141 HydrophobicContact CE3-CB 4.15Å; W93-C141 HydrophobicContact CH2-CB 4.1Å; W93-C141 HydrophobicContact CZ3-CB 3.55Å; C141-D164 CarbonylContact O-C 3.53Å; C141-D164 VanDerWaalsContact O-CA 3.28Å; C141-D164 WeakPolarHBondContact O-CA 3.32Å; C141-D165 PolarHBondContact N-O 2.04Å; C141-D165 VanDerWaalsContact N-O 3.15Å; C141-D165 PolarHBondContact O-N 2.84Å; C141-C167 HydrophobicContact CB-CB 3.94Å; C141-C167 WeakPolarHBondContact CB-SG 3.33Å; C141-C167 PolarHBondContact N-SG 3.03Å; C141-C167 VanDerWaalsContact N-SG 3.44Å; C141-C167 WeakPolarHBondContact SG-CB 3.21Å; C141-C167 CovalentContact SG-SG 2.03Å; C141-C167 PolarHBondContact SG-SG 3.11Å
142V97.8Very high88.6Confident0 Ų051 Ų510%032%0.323CS..EExtended strand (participates in β ladder)trans-123.1135.5-171.1-178.20000110.6I94 L96 Y116 W129 W162 N163I94-V142 HydrophobicContact CD1-CB 4.43Å; I94-V142 HydrophobicContact CD1-CG1 3.79Å; I94-V142 HydrophobicContact CG1-CB 4.07Å; I94-V142 HydrophobicContact CG1-CG1 3.9Å; I94-V142 WeakPolarHBondContact CG1-O 3.38Å; I94-V142 PolarHBondContact N-O 3.25Å; L96-V142 HydrophobicContact CB-CB 3.91Å; L96-V142 HydrophobicContact CB-CG1 4.38Å; L96-V142 HydrophobicContact CB-CG2 3.88Å; L96-V142 HydrophobicContact CD2-CG1 4.39Å; L96-V142 HydrophobicContact CD2-CG2 4.08Å; L96-V142 HydrophobicContact CG-CG2 4.06Å; L96-V142 WeakPolarHBondContact O-CB 3.4Å; L96-V142 WeakPolarHBondContact O-CG2 3.36Å; L96-V142 PolarHBondContact O-N 2.79Å; Y116-V142 HydrophobicContact CD1-CG2 3.73Å; Y116-V142 HydrophobicContact CE1-CG2 3.53Å; W129-V142 HydrophobicContact CH2-CG1 4.11Å; W129-V142 HydrophobicContact CH2-CG2 3.59Å; W129-V142 HydrophobicContact CZ3-CG1 3.83Å; W129-V142 HydrophobicContact CZ3-CG2 3.96Å; V142-W162 HydrophobicContact CG1-CB 3.89Å; V142-W162 HydrophobicContact CG1-CG 4.49Å; V142-N163 WeakPolarHBondContact CA-O 3.47Å; V142-N163 WeakPolarHBondContact CG1-O 3.49Å
143V97.9Very high87.8Confident2 Ų246.9 Ų46.91%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-110.6152.6173-640000111.6D91 F92 W93 W162 N163 D165 N171D91-V143 HydrophobicContact CB-CB 3.86Å; D91-V143 HydrophobicContact CB-CG1 4.14Å; D91-V143 HydrophobicContact CB-CG2 3.99Å; F92-V143 CarbonylContact O-C 3.59Å; F92-V143 VanDerWaalsContact O-CA 3.24Å; F92-V143 WeakPolarHBondContact O-CA 3.44Å; W93-V143 HydrophobicContact CD2-CG1 3.9Å; W93-V143 HydrophobicContact CE3-CB 4.49Å; W93-V143 HydrophobicContact CE3-CG1 3.29Å; W93-V143 HydrophobicContact CH2-CG1 3.92Å; W93-V143 HydrophobicContact CZ2-CG1 4.48Å; W93-V143 HydrophobicContact CZ3-CG1 3.3Å; V143-W162 WeakPolarHBondContact O-CA 3.09Å; V143-N163 HydrophobicContact CG2-CB 3.91Å; V143-N163 PolarHBondContact N-O 2.74Å; V143-N163 PolarHBondContact O-N 2.84Å; V143-N163 VanDerWaalsContact O-N 3.11Å; V143-D165 HydrophobicContact CG1-CB 4.23Å; V143-D165 HydrophobicContact CG2-CB 4.38Å; V143-N171 HydrophobicContact CG1-CB 4.48Å
144L97.1Very high86.3Confident0 Ų054.1 Ų54.10%034%0.335CS..EExtended strand (participates in β ladder)trans-81.1117.9153.2-73.7162.2000107.7L67 I69 I78 I82 D91 F92 I94 H146 F160 W162L67-L144 HydrophobicContact CD2-CD1 4.17Å; I69-L144 HydrophobicContact CD1-CD1 4.38Å; I69-L144 HydrophobicContact CD1-CD2 4.23Å; I78-L144 HydrophobicContact CG2-CD1 3.98Å; I82-L144 HydrophobicContact CD1-CD1 4.45Å; D91-L144 WeakPolarHBondContact CA-O 3.43Å; D91-L144 WeakPolarHBondContact CB-O 3.36Å; F92-L144 HydrophobicContact CB-CB 4.28Å; F92-L144 PolarHBondContact N-O 3.48Å; F92-L144 PolarHBondContact O-N 3.13Å; I94-L144 HydrophobicContact CG2-CB 4.47Å; I94-L144 HydrophobicContact CG2-CD1 3.44Å; I94-L144 VanDerWaalsContact CG2-CD1 3.44Å; I94-L144 HydrophobicContact CG2-CG 3.56Å; L144-H146 PolarHBondContact O-N 2.69Å; L144-F160 HydrophobicContact CD2-CB 4.47Å; L144-F160 VanDerWaalsContact CD2-O 3.23Å; L144-F160 WeakPolarHBondContact CD2-O 3.4Å; L144-W162 VanDerWaalsContact CD2-CD1 3.5Å
145Y95Very high84.9Confident53 Ų5359.8 Ų59.821%0.20836%0.36CS..  trans-63.6128.2176.3-178.5-100.6000110.6D91 Q147 F158 F160 K161D91-Y145 WeakPolarHBondContact OD1-CA 3.04Å; Y145-Q147 HydrophobicContact CD2-CG 4.45Å; Y145-Q147 HydrophobicContact CE1-CB 4.07Å; Y145-Q147 HydrophobicContact CE1-CG 4.35Å; Y145-Q147 HydrophobicContact CE2-CB 4.3Å; Y145-Q147 VanDerWaalsContact CE2-CD 3.43Å; Y145-Q147 HydrophobicContact CE2-CG 3.74Å; Y145-Q147 WeakPolarHBondContact OH-CB 3.5Å; Y145-Q147 PolarHBondContact OH-OE1 2.89Å; Y145-F158 HydrophobicContact CD1-CB 3.99Å; Y145-F158 VanDerWaalsContact CD1-O 3.24Å; Y145-F158 WeakPolarHBondContact CD1-O 3.02Å; Y145-F158 HydrophobicContact CE1-CB 3.82Å; Y145-F160 VanDerWaalsContact O-CA 3.32Å; Y145-F160 WeakPolarHBondContact O-CA 3.38Å; Y145-F160 PolarHBondContact O-N 2.86Å; Y145-K161 WeakPolarHBondContact CB-O 3.47Å; Y145-K161 PolarHBondContact N-O 3.03Å
146H94.4Very high83.7Confident6 Ų659.1 Ų59.13%0.02836%0.362CS..  trans-146.786.9-178.1-176.9-88000111.3V87 G88 G90 D91 F92 L144 P148 F160V87-H146 WeakPolarHBondContact CG2-CE1 3.29Å; V87-H146 PolarHBondContact O-CE1 2.84Å; G88-H146 PolarHBondContact O-CE1 2.89Å; G88-H146 VanDerWaalsContact O-CE1 3.27Å; G88-H146 PolarHBondContact O-ND1 3.33Å; G90-H146 CarbonylContact C-O 3.49Å; G90-H146 PolarHBondContact N-O 3.38Å; D91-H146 PolarHBondContact OD1-N 3.2Å; F92-H146 HydrophobicContact CD2-CB 3.89Å; F92-H146 HydrophobicContact CE2-CB 4.02Å; F92-H146 AromaticContact CE2-CG 3.8Å; F92-H146 AromaticContact CE2-ND1 3.89Å; L144-H146 PolarHBondContact O-N 2.69Å; H146-P148 VanDerWaalsContact CE1-CD 3.41Å; H146-P148 WeakPolarHBondContact CE1-CD 3.41Å; H146-F160 AromaticContact CD2-CE1 3.64Å; H146-F160 AromaticContact CD2-CZ 3.6Å
147Q91.8Very high82.8Confident72 Ų7261.9 Ų61.934%0.33637%0.371SS..  trans-129.674.5175.2-60-173.6-3.800109.8D89 Y145 S149 A150D89-Q147 WeakPolarHBondContact OD1-CA 3.42Å; Y145-Q147 HydrophobicContact CD2-CG 4.45Å; Y145-Q147 HydrophobicContact CE1-CB 4.07Å; Y145-Q147 HydrophobicContact CE1-CG 4.35Å; Y145-Q147 HydrophobicContact CE2-CB 4.3Å; Y145-Q147 VanDerWaalsContact CE2-CD 3.43Å; Y145-Q147 HydrophobicContact CE2-CG 3.74Å; Y145-Q147 WeakPolarHBondContact OH-CB 3.5Å; Y145-Q147 PolarHBondContact OH-OE1 2.89Å; Q147-S149 PolarHBondContact O-N 3.4Å; Q147-S149 VanDerWaalsContact O-N 3.14Å; Q147-A150 HydrophobicContact CB-CB 4.13Å; Q147-A150 WeakPolarHBondContact O-CB 3.42Å; Q147-A150 PolarHBondContact O-N 3.26Å
148P90.1Very high82.7Confident67 Ų6763.6 Ų63.644%0.43537%0.365SS..THydrogen-bonded Turntrans-62.5-15.4-179.726.6-37.2000114.3D89 H146D89-P148 WeakPolarHBondContact OD1-CD 3.47Å; H146-P148 VanDerWaalsContact CE1-CD 3.41Å; H146-P148 WeakPolarHBondContact CE1-CD 3.41Å
149S88.4Confident82.9Confident89 Ų8961.4 Ų61.462%0.62235%0.345SS*.THydrogen-bonded Turntrans-80.1-18.5172.978.30000113.9D89 Q147D89-S149 WeakPolarHBondContact OD1-CB 2.97Å; D89-S149 PolarHBondContact OD1-N 3.49Å; D89-S149 PolarHBondContact OD1-OG 3.07Å; D89-S149 VanDerWaalsContact OD2-CB 3.23Å; D89-S149 WeakPolarHBondContact OD2-CB 3.05Å; D89-S149 PolarHBondContact OD2-OG 2.96Å; Q147-S149 PolarHBondContact O-N 3.4Å; Q147-S149 VanDerWaalsContact O-N 3.14Å
150A83.8Confident83Confident36 Ų3658.9 Ų58.930%0.29833%0.333SS..SBendtrans-66141.4178.600000109.8Q147 A152Q147-A150 HydrophobicContact CB-CB 4.13Å; Q147-A150 WeakPolarHBondContact O-CB 3.42Å; Q147-A150 PolarHBondContact O-N 3.26Å; A150-A152 PolarHBondContact O-N 3.36Å
151P76.1Confident83.1Confident124 Ų12459.3 Ų59.381%0.80533%0.334SS*.PPolyproline II helixtrans-59.1130.4174.224.2-30.7000108.7D153P151-D153 PolarHBondContact O-N 3.07Å
152A67.4Low83.1Confident82 Ų8259.3 Ų59.368%0.67833%0.334SS*.PPolyproline II helixtrans-59.8133168.600000107.9A150A150-A152 PolarHBondContact O-N 3.36Å
153D67.7Low82.9Confident44 Ų4461.2 Ų61.224%0.23534%0.344CS..PPolyproline II helixtrans-58.2166.1153.654.6-18.6000109.4P151 E155 G156 H157 F158P151-D153 PolarHBondContact O-N 3.07Å; D153-E155 PolarHBondContact O-N 3.05Å; D153-G156 PolarHBondContact O-N 3.31Å; D153-G156 VanDerWaalsContact OD1-C 3.23Å; D153-G156 WeakPolarHBondContact OD1-CA 3.32Å; D153-G156 PolarHBondContact OD1-N 3.3Å; D153-H157 PolarHBondContact OD1-N 3.41Å; D153-H157 WeakPolarHBondContact OD2-CB 3.46Å; D153-H157 IonicContact OD2-CD2 2.85Å; D153-H157 IonicContact OD2-CG 3.42Å; D153-H157 PolarHBondContact OD2-N 2.88Å; D153-F158 HydrophobicContact CB-CD2 4.37Å; D153-F158 HydrophobicContact CB-CE2 3.84Å; D153-F158 VanDerWaalsContact CG-CE2 3.42Å; D153-F158 WeakPolarHBondContact OD2-CE2 3.04Å
154E57.2Low82.8Confident197 Ų19761.1 Ų61.192%0.92134%0.343SS*.THydrogen-bonded Turntrans-56.2-15.2-172.1-61.8-151.716300113.6
155E59.4Low82.7Confident130 Ų13062.1 Ų62.161%0.60735%0.349SS*.THydrogen-bonded Turntrans-121.15.2175.5-60.497.9179.400116.7D153 H157D153-E155 PolarHBondContact O-N 3.05Å; E155-H157 VanDerWaalsContact C-N 3.35Å; E155-H157 WeakPolarHBondContact CB-CD2 3.24Å; E155-H157 WeakPolarHBondContact CB-CE1 3.32Å; E155-H157 WeakPolarHBondContact CB-NE2 3.49Å; E155-H157 WeakPolarHBondContact CG-NE2 3.1Å; E155-H157 PolarHBondContact O-N 3.42Å; E155-H157 IonicContact OE2-CD2 3.57Å; E155-H157 IonicContact OE2-NE2 2.63Å
156G59.7Low82.8Confident41 Ų4162.5 Ų62.542%0.42335%0.354SS..  trans62.532.8177.100000115.1D153 F158D153-G156 PolarHBondContact O-N 3.31Å; D153-G156 VanDerWaalsContact OD1-C 3.23Å; D153-G156 WeakPolarHBondContact OD1-CA 3.32Å; D153-G156 PolarHBondContact OD1-N 3.3Å; G156-F158 PolarHBondContact O-N 3.16Å
157H63.4Low82.9Confident100 Ų10063.2 Ų63.246%0.46336%0.36SS..  trans-78.2-18.7-162.2-73-42.8000116D153 E155 K161D153-H157 PolarHBondContact OD1-N 3.41Å; D153-H157 WeakPolarHBondContact OD2-CB 3.46Å; D153-H157 IonicContact OD2-CD2 2.85Å; D153-H157 IonicContact OD2-CG 3.42Å; D153-H157 PolarHBondContact OD2-N 2.88Å; E155-H157 VanDerWaalsContact C-N 3.35Å; E155-H157 WeakPolarHBondContact CB-CD2 3.24Å; E155-H157 WeakPolarHBondContact CB-CE1 3.32Å; E155-H157 WeakPolarHBondContact CB-NE2 3.49Å; E155-H157 WeakPolarHBondContact CG-NE2 3.1Å; E155-H157 PolarHBondContact O-N 3.42Å; E155-H157 IonicContact OE2-CD2 3.57Å; E155-H157 IonicContact OE2-NE2 2.63Å; H157-K161 WeakPolarHBondContact O-CE 3.3Å; H157-K161 WeakPolarHBondContact O-CG 3.25Å
158F81.8Confident83.1Confident83 Ų8364 Ų6436%0.36437%0.373SS..SBendtrans-83.1-31.4-171.9-60.1-67.8000114N130 Y145 D153 G156 F160 K161N130-F158 WeakPolarHBondContact ND2-CD1 3.4Å; N130-F158 VanDerWaalsContact OD1-CD1 3.23Å; N130-F158 WeakPolarHBondContact OD1-CD1 3.49Å; Y145-F158 HydrophobicContact CD1-CB 3.99Å; Y145-F158 VanDerWaalsContact CD1-O 3.24Å; Y145-F158 WeakPolarHBondContact CD1-O 3.02Å; Y145-F158 HydrophobicContact CE1-CB 3.82Å; D153-F158 HydrophobicContact CB-CD2 4.37Å; D153-F158 HydrophobicContact CB-CE2 3.84Å; D153-F158 VanDerWaalsContact CG-CE2 3.42Å; D153-F158 WeakPolarHBondContact OD2-CE2 3.04Å; G156-F158 PolarHBondContact O-N 3.16Å; F158-F160 PolarHBondContact O-N 3.33Å; F158-K161 WeakPolarHBondContact O-CB 3.26Å; F158-K161 PolarHBondContact O-N 3.35Å; F158-K161 VanDerWaalsContact O-N 3.1Å
159L90.6Very high83.4Confident55 Ų5562.6 Ų62.629%0.28836%0.364SS..THydrogen-bonded Turntrans-62.5128.6-173.6-158.473.2000110.8K161L159-K161 PolarHBondContact O-N 2.71Å
160F93.9Very high83.9Confident4 Ų463.6 Ų63.62%0.01836%0.358CS..THydrogen-bonded Turntrans64.69.4-176.5-54.3-74.2000116.9Q75 E79 I82 Q83 N128 L144 Y145 H146 F158Q75-F160 PolarHBondContact NE2-O 3.2Å; E79-F160 HydrophobicContact CB-CD2 3.93Å; E79-F160 HydrophobicContact CB-CE2 4.19Å; E79-F160 HydrophobicContact CB-CG 4.12Å; E79-F160 HydrophobicContact CG-CB 3.54Å; E79-F160 HydrophobicContact CG-CD1 4.12Å; E79-F160 HydrophobicContact CG-CD2 3.77Å; E79-F160 HydrophobicContact CG-CE2 4.49Å; E79-F160 HydrophobicContact CG-CG 3.56Å; I82-F160 HydrophobicContact CB-CE1 3.72Å; I82-F160 HydrophobicContact CB-CZ 4Å; I82-F160 HydrophobicContact CD1-CD1 4.42Å; I82-F160 HydrophobicContact CD1-CE1 3.88Å; I82-F160 HydrophobicContact CG1-CE1 4.4Å; I82-F160 HydrophobicContact CG2-CE1 3.72Å; I82-F160 HydrophobicContact CG2-CZ 3.98Å; Q83-F160 HydrophobicContact CG-CE2 3.66Å; Q83-F160 HydrophobicContact CG-CZ 3.78Å; N128-F160 PolarHBondContact ND2-O 3.32Å; L144-F160 HydrophobicContact CD2-CB 4.47Å; L144-F160 VanDerWaalsContact CD2-O 3.23Å; L144-F160 WeakPolarHBondContact CD2-O 3.4Å; Y145-F160 VanDerWaalsContact O-CA 3.32Å; Y145-F160 WeakPolarHBondContact O-CA 3.38Å; Y145-F160 PolarHBondContact O-N 2.86Å; H146-F160 AromaticContact CD2-CE1 3.64Å; H146-F160 AromaticContact CD2-CZ 3.6Å; F158-F160 PolarHBondContact O-N 3.33Å
161K95Very high84.6Confident61 Ų6162.5 Ų62.527%0.26535%0.347SS..  trans-70.4157.2164.4-64.1-65.7177.7173.50111.1N128 N130 Y145 H157 F158 L159N128-K161 WeakPolarHBondContact OD1-CD 3.41Å; N128-K161 PolarHBondContact OD1-NZ 3.35Å; N130-K161 HydrophobicContact CB-CB 3.73Å; Y145-K161 WeakPolarHBondContact CB-O 3.47Å; Y145-K161 PolarHBondContact N-O 3.03Å; H157-K161 WeakPolarHBondContact O-CE 3.3Å; H157-K161 WeakPolarHBondContact O-CG 3.25Å; F158-K161 WeakPolarHBondContact O-CB 3.26Å; F158-K161 PolarHBondContact O-N 3.35Å; F158-K161 VanDerWaalsContact O-N 3.1Å; L159-K161 PolarHBondContact O-N 2.71Å
162W96.2Very high85.6Confident0 Ų056.8 Ų56.80%031%0.309CS..EExtended strand (participates in β ladder)trans-92.1135.1-176.7-52.2-5000110.1I69 I94 L96 W118 Y126 R127 N128 W129 N130 V142 V143 L144I69-W162 HydrophobicContact CB-CH2 4.21Å; I69-W162 HydrophobicContact CB-CZ2 3.79Å; I69-W162 HydrophobicContact CD1-CZ2 3.91Å; I69-W162 HydrophobicContact CG1-CZ2 4.31Å; I69-W162 HydrophobicContact CG2-CZ2 4.07Å; I94-W162 HydrophobicContact CD1-CD2 4.05Å; I94-W162 HydrophobicContact CD1-CE3 4.44Å; I94-W162 HydrophobicContact CD1-CG 4.21Å; L96-W162 HydrophobicContact CD2-CE3 3.84Å; L96-W162 HydrophobicContact CD2-CZ3 3.81Å; W118-W162 AromaticContact CH2-CH2 3.78Å; W118-W162 HydrophobicContact CH2-CH2 3.78Å; W118-W162 HydrophobicContact CH2-CZ2 4.39Å; W118-W162 AromaticContact CH2-CZ3 4Å; W118-W162 HydrophobicContact CH2-CZ3 4Å; W118-W162 AromaticContact CZ2-CH2 3.75Å; W118-W162 HydrophobicContact CZ2-CH2 3.75Å; W118-W162 AromaticContact CZ2-CZ3 4Å; W118-W162 HydrophobicContact CZ2-CZ3 4Å; Y126-W162 AromaticContact CD1-CH2 3.95Å; Y126-W162 HydrophobicContact CD1-CH2 3.95Å; Y126-W162 AromaticContact CD1-CZ2 3.98Å; Y126-W162 HydrophobicContact CD1-CZ2 3.98Å; Y126-W162 HydrophobicContact CE1-CH2 4.24Å; Y126-W162 AromaticContact CE1-CZ2 3.83Å; Y126-W162 HydrophobicContact CE1-CZ2 3.83Å; Y126-W162 WeakPolarHBondContact O-CH2 3.35Å; R127-W162 HydrophobicContact CB-CZ3 4.28Å; N128-W162 HydrophobicContact CB-CD2 4.13Å; N128-W162 HydrophobicContact CB-CG 4.38Å; N128-W162 HydrophobicContact CB-CZ2 3.96Å; N128-W162 PolarHBondContact O-N 3.04Å; W129-W162 HydrophobicContact CD2-CB 4.29Å; W129-W162 HydrophobicContact CD2-CE3 4.47Å; W129-W162 HydrophobicContact CE3-CB 3.7Å; W129-W162 HydrophobicContact CZ3-CB 4.12Å; N130-W162 PolarHBondContact N-O 3.24Å; V142-W162 HydrophobicContact CG1-CB 3.89Å; V142-W162 HydrophobicContact CG1-CG 4.49Å; V143-W162 WeakPolarHBondContact O-CA 3.09Å; L144-W162 VanDerWaalsContact CD2-CD1 3.5Å
163N95Very high87.1Confident40 Ų4052.9 Ų52.921%0.21428%0.277CS..EExtended strand (participates in β ladder)trans-126.9139.9176.7-15780.5000108.4E133 V142 V143E133-N163 WeakPolarHBondContact CG-OD1 3.39Å; E133-N163 PolarHBondContact OE1-OD1 2.94Å; E133-N163 VanDerWaalsContact OE1-OD1 3.1Å; V142-N163 WeakPolarHBondContact CA-O 3.47Å; V142-N163 WeakPolarHBondContact CG1-O 3.49Å; V143-N163 HydrophobicContact CG2-CB 3.91Å; V143-N163 PolarHBondContact N-O 2.74Å; V143-N163 PolarHBondContact O-N 2.84Å; V143-N163 VanDerWaalsContact O-N 3.11Å
164D94.5Very high88.5Confident0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans-76.6143.4163.363.40.5000110.5Y116 P134 S135 C136 E139 C141Y116-D164 HydrophobicContact CE1-CB 4.39Å; Y116-D164 VanDerWaalsContact OH-CB 3.22Å; Y116-D164 WeakPolarHBondContact OH-CB 3.33Å; Y116-D164 PolarHBondContact OH-OD2 2.93Å; P134-D164 HydrophobicContact CB-CB 4.27Å; P134-D164 WeakPolarHBondContact CB-OD2 3.46Å; S135-D164 VanDerWaalsContact CB-OD1 3.3Å; S135-D164 WeakPolarHBondContact CB-OD1 3.49Å; S135-D164 PolarHBondContact N-OD1 3.46Å; S135-D164 PolarHBondContact N-OD2 2.97Å; S135-D164 VanDerWaalsContact OG-CG 3.31Å; S135-D164 PolarHBondContact OG-OD1 2.9Å; S135-D164 PolarHBondContact OG-OD2 3.18Å; C136-D164 PolarHBondContact N-OD2 3.23Å; C136-D164 VanDerWaalsContact N-OD2 3.1Å; E139-D164 HydrophobicContact CB-CB 4.13Å; C141-D164 CarbonylContact O-C 3.53Å; C141-D164 VanDerWaalsContact O-CA 3.28Å; C141-D164 WeakPolarHBondContact O-CA 3.32Å
165D95.6Very high90.5Very high21 Ų2141.4 Ų41.411%0.11222%0.222CC..EExtended strand (participates in β ladder)trans-141.6159.5-176.4-172.14.8000108.2W93 M140 C141 V143 C167 C169 N171W93-D165 HydrophobicContact CH2-CB 3.77Å; W93-D165 WeakPolarHBondContact CH2-OD2 3.45Å; W93-D165 HydrophobicContact CZ3-CB 3.92Å; M140-D165 PolarHBondContact N-O 3.01Å; C141-D165 PolarHBondContact N-O 2.04Å; C141-D165 VanDerWaalsContact N-O 3.15Å; C141-D165 PolarHBondContact O-N 2.84Å; V143-D165 HydrophobicContact CG1-CB 4.23Å; V143-D165 HydrophobicContact CG2-CB 4.38Å; D165-C167 PolarHBondContact O-N 3.32Å; D165-C169 PolarHBondContact OD1-SG 3.17Å; D165-N171 PolarHBondContact OD2-ND2 3.05Å
166N95.9Very high92.2Very high60 Ų6035.7 Ų35.732%0.32120%0.195SC..  trans-65.5122.6175-178-16.3000109W93 E139 S168 C169W93-N166 WeakPolarHBondContact CH2-O 3.48Å; E139-N166 HydrophobicContact CG-CB 4.45Å; N166-S168 PolarHBondContact O-N 3.01Å; N166-S168 WeakPolarHBondContact OD1-CB 3.37Å; N166-S168 PolarHBondContact OD1-N 2.81Å; N166-S168 VanDerWaalsContact OD1-N 3.08Å; N166-C169 WeakPolarHBondContact O-CB 3.34Å; N166-C169 PolarHBondContact O-N 3.15Å
167C97Very high93.8Very high22 Ų2234 Ų3415%0.14918%0.176CC..THydrogen-bonded Turntrans-56.9-20.4-177.7-60.80000114.3F52 C141 D165F52-C167 HydrophobicContact CB-CB 4.19Å; F52-C167 PolarHBondContact N-O 2.99Å; C141-C167 HydrophobicContact CB-CB 3.94Å; C141-C167 WeakPolarHBondContact CB-SG 3.33Å; C141-C167 PolarHBondContact N-SG 3.03Å; C141-C167 VanDerWaalsContact N-SG 3.44Å; C141-C167 WeakPolarHBondContact SG-CB 3.21Å; C141-C167 CovalentContact SG-SG 2.03Å; C141-C167 PolarHBondContact SG-SG 3.11Å; D165-C167 PolarHBondContact O-N 3.32Å
168S96.9Very high95Very high88 Ų8833.4 Ų33.462%0.61517%0.172SC*.THydrogen-bonded Turntrans-83.6-11.5176.6-56.40000113.7N166N166-S168 PolarHBondContact O-N 3.01Å; N166-S168 WeakPolarHBondContact OD1-CB 3.37Å; N166-S168 PolarHBondContact OD1-N 2.81Å; N166-S168 VanDerWaalsContact OD1-N 3.08Å
169C97Very high94.9Very high38 Ų3836.8 Ų36.826%0.25719%0.189SC..SBendtrans-61.4153.9173-74.50000110.9T51 W93 D165 N166T51-C169 WeakPolarHBondContact CA-O 3.36Å; W93-C169 HydrophobicContact CH2-CB 4.31Å; W93-C169 HydrophobicContact CZ2-CB 4.03Å; W93-C169 WeakPolarHBondContact CZ2-O 3.32Å; D165-C169 PolarHBondContact OD1-SG 3.17Å; N166-C169 WeakPolarHBondContact O-CB 3.34Å; N166-C169 PolarHBondContact O-N 3.15Å
170K97.7Very high93.7Very high110 Ų11040.2 Ų40.248%0.47820%0.204SC..  trans-108.4105.6-176.5-74.4-177.1167.8-175.80110.6R47 R49 L50 T51R47-K170 PolarHBondContact O-NZ 2.78Å; R49-K170 VanDerWaalsContact CB-C 3.5Å; R49-K170 HydrophobicContact CB-CB 3.79Å; R49-K170 WeakPolarHBondContact CB-O 3.43Å; R49-K170 WeakPolarHBondContact CD-O 3.49Å; R49-K170 WeakPolarHBondContact O-CD 3.49Å; R49-K170 WeakPolarHBondContact O-CG 3.36Å; L50-K170 WeakPolarHBondContact O-CA 3.29Å; T51-K170 HydrophobicContact CG2-CG 4.45Å
171N98.1Very high91.9Very high13 Ų1349.7 Ų49.77%0.0725%0.245CC..BIsolated β-bridgetrans-122.6170.9-176-68.1-48.7000112.4R49 L50 D91 W93 V143 D165R49-N171 WeakPolarHBondContact CB-O 3.46Å; L50-N171 PolarHBondContact N-O 3.46Å; L50-N171 PolarHBondContact O-N 3.4Å; D91-N171 WeakPolarHBondContact O-CB 3.24Å; W93-N171 HydrophobicContact CD2-CB 4.17Å; W93-N171 HydrophobicContact CG-CB 4.18Å; W93-N171 WeakPolarHBondContact CH2-ND2 3.24Å; W93-N171 HydrophobicContact CZ2-CB 4.25Å; W93-N171 WeakPolarHBondContact CZ2-ND2 3.21Å; V143-N171 HydrophobicContact CG1-CB 4.48Å; D165-N171 PolarHBondContact OD2-ND2 3.05Å
172N97.8Very high89.7Confident3 Ų353.8 Ų53.82%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-69.8178.2163.4-58.8-49.9000108.9S41 Y42 I43 G90 D91 F92 W93S41-N172 WeakPolarHBondContact O-CB 3.26Å; Y42-N172 WeakPolarHBondContact CA-OD1 3.23Å; I43-N172 PolarHBondContact N-OD1 2.88Å; G90-N172 PolarHBondContact O-ND2 3.13Å; D91-N172 VanDerWaalsContact O-CB 3.3Å; D91-N172 WeakPolarHBondContact O-CB 3.45Å; D91-N172 PolarHBondContact O-N 3.39Å; F92-N172 CarbonylContact C-O 3.41Å; F92-N172 WeakPolarHBondContact CA-O 3.28Å; F92-N172 HydrophobicContact CD1-CB 3.44Å; F92-N172 VanDerWaalsContact CD1-CB 3.44Å; F92-N172 HydrophobicContact CD2-CB 4.29Å; F92-N172 HydrophobicContact CE1-CB 3.46Å; F92-N172 VanDerWaalsContact CE1-CB 3.46Å; F92-N172 HydrophobicContact CE2-CB 4.3Å; F92-N172 HydrophobicContact CG-CB 3.87Å; F92-N172 HydrophobicContact CZ-CB 3.9Å; W93-N172 PolarHBondContact N-O 2.75Å
173F98.2Very high87.5Confident0 Ų058.6 Ų58.60%030%0.298CS..EExtended strand (participates in β ladder)trans-154.8155179.960.7-82.3000113.1S41 L50 A55 S58 L66 W93S41-F173 PolarHBondContact N-O 2.79Å; S41-F173 PolarHBondContact O-N 3.15Å; S41-F173 VanDerWaalsContact O-N 3.13Å; L50-F173 HydrophobicContact CD1-CD1 4.24Å; L50-F173 HydrophobicContact CD1-CE1 3.58Å; L50-F173 HydrophobicContact CD1-CZ 4.06Å; L50-F173 HydrophobicContact CG-CE1 4.22Å; A55-F173 HydrophobicContact CB-CB 3.67Å; A55-F173 HydrophobicContact CB-CD1 3.95Å; A55-F173 HydrophobicContact CB-CD2 4.22Å; A55-F173 HydrophobicContact CB-CG 3.71Å; S58-F173 WeakPolarHBondContact OG-CZ 3.44Å; L66-F173 HydrophobicContact CD2-CB 4.05Å; W93-F173 HydrophobicContact CB-CB 3.95Å
174V98.3Very high85Confident0 Ų062.4 Ų62.40%032%0.322CS..EExtended strand (participates in β ladder)trans-119.5129174.2-169.20000110K39 A40 L67 I82 F92 W93K39-V174 WeakPolarHBondContact O-CA 3.49Å; A40-V174 HydrophobicContact CB-CG1 4.48Å; A40-V174 HydrophobicContact CB-CG2 4.07Å; L67-V174 HydrophobicContact CB-CB 3.89Å; L67-V174 HydrophobicContact CB-CG1 4.04Å; L67-V174 WeakPolarHBondContact CB-O 3.43Å; L67-V174 HydrophobicContact CD2-CB 3.93Å; L67-V174 HydrophobicContact CD2-CG1 3.85Å; L67-V174 HydrophobicContact CD2-CG2 4.48Å; L67-V174 HydrophobicContact CG-CG1 4.37Å; L67-V174 PolarHBondContact N-O 2.91Å; I82-V174 HydrophobicContact CD1-CG2 4.1Å; F92-V174 HydrophobicContact CB-CG2 4.05Å; F92-V174 HydrophobicContact CD1-CG2 3.75Å; F92-V174 HydrophobicContact CG-CG2 4.19Å; W93-V174 PolarHBondContact O-N 3.05Å; W93-V174 VanDerWaalsContact O-N 3.15Å
175C97.6Very high82.9Confident0 Ų071.8 Ų71.80%036%0.363CS..EExtended strand (participates in β ladder)trans-100.1144.4173.7-52.90000110.8Y38 K39 C59 E65 Y177Y38-C175 CarbonylContact C-O 3.59Å; Y38-C175 WeakPolarHBondContact CA-O 3.38Å; K39-C175 PolarHBondContact N-O 3.38Å; K39-C175 PolarHBondContact O-N 3.19Å; C59-C175 WeakPolarHBondContact CA-SG 3.32Å; C59-C175 HydrophobicContact CB-CB 3.7Å; C59-C175 WeakPolarHBondContact CB-SG 3.39Å; C59-C175 WeakPolarHBondContact SG-CA 3.48Å; C59-C175 WeakPolarHBondContact SG-CB 3.44Å; C59-C175 CovalentContact SG-SG 2.04Å; C59-C175 PolarHBondContact SG-SG 3.23Å; E65-C175 CarbonylContact O-C 3.55Å; E65-C175 WeakPolarHBondContact O-CA 3.23Å; C175-Y177 HydrophobicContact CB-CE2 3.68Å; C175-Y177 WeakPolarHBondContact CB-OH 3.16Å
176K96.6Very high80.5Confident10 Ų1075.6 Ų75.64%0.04339%0.387CS..EExtended strand (participates in β ladder)trans-114.5135.2168.6-176.7177.4-176.3173.10109.8P36 C37 Y38 G64 E65 L67 S68 E70 E74P36-K176 HydrophobicContact CB-CD 4.41Å; P36-K176 HydrophobicContact CB-CG 3.99Å; C37-K176 CarbonylContact O-C 3.53Å; C37-K176 WeakPolarHBondContact O-CA 3.39Å; Y38-K176 HydrophobicContact CD1-CB 4.07Å; Y38-K176 HydrophobicContact CD1-CG 3.98Å; Y38-K176 HydrophobicContact CE1-CB 4.21Å; Y38-K176 HydrophobicContact CE1-CD 3.84Å; Y38-K176 HydrophobicContact CE1-CG 3.67Å; G64-K176 WeakPolarHBondContact CA-O 3.5Å; E65-K176 PolarHBondContact N-O 3.29Å; E65-K176 PolarHBondContact O-N 2.85Å; L67-K176 HydrophobicContact CD1-CB 4.14Å; L67-K176 HydrophobicContact CD1-CD 4.38Å; S68-K176 PolarHBondContact O-NZ 3.01Å; S68-K176 VanDerWaalsContact OG-CD 3.32Å; S68-K176 WeakPolarHBondContact OG-CD 3.23Å; S68-K176 PolarHBondContact OG-NZ 2.74Å; S68-K176 VanDerWaalsContact OG-NZ 3.13Å; E70-K176 IonicContact OE1-NZ 2.73Å; E70-K176 PolarHBondContact OE1-NZ 2.72Å; E74-K176 VanDerWaalsContact OE1-CE 3.24Å; E74-K176 WeakPolarHBondContact OE1-CE 3.22Å; E74-K176 IonicContact OE1-NZ 2.68Å; E74-K176 PolarHBondContact OE1-NZ 3.05Å; E74-K176 IonicContact OE2-NZ 3.17Å
177Y93.6Very high78.5Confident5 Ų576.4 Ų76.42%0.0241%0.41CS..EExtended strand (participates in β ladder)trans-117.2103.5-179.7-55.1-92.3000108P36 C37 K39 E62 G64 C175P36-Y177 VanDerWaalsContact CA-O 3.23Å; P36-Y177 WeakPolarHBondContact CA-O 3.32Å; C37-Y177 HydrophobicContact CB-CD2 4.34Å; C37-Y177 PolarHBondContact N-O 2.91Å; C37-Y177 WeakPolarHBondContact O-CD2 3.28Å; C37-Y177 PolarHBondContact O-N 3.25Å; K39-Y177 HydrophobicContact CB-CE2 3.72Å; E62-Y177 HydrophobicContact CB-CE1 3.82Å; E62-Y177 VanDerWaalsContact O-CE1 3.3Å; E62-Y177 WeakPolarHBondContact O-CE1 3.39Å; E62-Y177 PolarHBondContact OE2-OH 2.93Å; G64-Y177 VanDerWaalsContact CA-CD1 3.46Å; C175-Y177 HydrophobicContact CB-CE2 3.68Å; C175-Y177 WeakPolarHBondContact CB-OH 3.16Å
178K87.3Confident75.9Confident89 Ų8981.9 Ų81.939%0.38744%0.438SS..PPolyproline II helixtrans-75.5162.8179.7-65.6-177-178.21770111.2R35 D120 E180R35-K178 WeakPolarHBondContact CD-O 3.44Å; R35-K178 PolarHBondContact NH1-O 2.83Å; D120-K178 WeakPolarHBondContact OD2-CE 3.4Å; D120-K178 IonicContact OD2-NZ 2.8Å; D120-K178 PolarHBondContact OD2-NZ 3.25Å; K178-E180 PolarHBondContact O-N 3.27Å
179E79.9Confident73.2Confident153 Ų15388.4 Ų88.472%0.71545%0.449SS*.PPolyproline II helixtrans-56.1126.4172.3-155.8162.5-153.100111.1R35 K181R35-E179 HydrophobicContact CB-CB 4.07Å; R35-E179 HydrophobicContact CB-CG 4.43Å; R35-E179 VanDerWaalsContact CD-CA 3.41Å; E179-K181 PolarHBondContact O-N 3.22Å
180E66.7Low70.4Confident128 Ų12894 Ų9460%0.59848%0.475SS*.PPolyproline II helixtrans-64.8116.9164.8-90.3158.3-117.500105.9R35 K178 M182R35-E180 IonicContact CZ-OE1 3.61Å; R35-E180 VanDerWaalsContact NH1-N 3.13Å; R35-E180 IonicContact NH1-OE1 2.74Å; R35-E180 PolarHBondContact NH1-OE1 3.44Å; R35-E180 VanDerWaalsContact NH1-OE1 3.09Å; R35-E180 IonicContact NH2-OE1 2.69Å; R35-E180 PolarHBondContact NH2-OE1 3.3Å; K178-E180 PolarHBondContact O-N 3.27Å; E180-M182 PolarHBondContact O-N 3.17Å
181K54.8Low67.5Low203 Ų20395.6 Ų95.688%0.88349%0.487SS*.  trans-65.890.4161.8-73.1-175.6178.6-176.60106.1E179E179-K181 PolarHBondContact O-N 3.22Å
182M49.8Very low64.4Low147 Ų147100.5 Ų100.572%0.72452%0.517SS*.  trans-51.7129165.5-71.7-85.6-87.100106.5E180 V184E180-M182 PolarHBondContact O-N 3.17Å; M182-V184 PolarHBondContact O-N 3.49Å
183P48.7Very low61.4Low100 Ų100108.3 Ų108.365%0.64955%0.554SS**  trans-57.7114.2171.222.6-29.4000106.8F185P183-F185 VanDerWaalsContact C-N 3.32Å; P183-F185 HydrophobicContact CG-CE2 4.37Å; P183-F185 PolarHBondContact O-N 3.08Å
184V42.6Very low58.4Low121 Ų121114 Ų11473%0.73359%0.591SS**  trans-66.2101170.5-177.60000104.9M182 T186M182-V184 PolarHBondContact O-N 3.49Å; V184-T186 HydrophobicContact CG1-CG2 3.7Å; V184-T186 PolarHBondContact O-N 3.24Å
185F50.9Low55.4Low196 Ų196120.3 Ų120.386%0.8663%0.629SS**  trans-68.882.4160.5-80.4-84.6000106.4P183 G187P183-F185 VanDerWaalsContact C-N 3.32Å; P183-F185 HydrophobicContact CG-CE2 4.37Å; P183-F185 PolarHBondContact O-N 3.08Å; F185-G187 PolarHBondContact O-N 3.41Å
186T45.6Very low52.4Low101 Ų101126.3 Ų126.362%0.6267%0.668SS**  trans-61.8106.8159.943.70000105.5V184 D188V184-T186 HydrophobicContact CG1-CG2 3.7Å; V184-T186 PolarHBondContact O-N 3.24Å; T186-D188 PolarHBondContact O-N 3.12Å
187G52.9Low49.2Very low77 Ų77131.1 Ų131.179%0.79470%0.703SS**  trans-67.665.1170.800000110.3F185F185-G187 PolarHBondContact O-N 3.41Å
188D43.2Very low46.3Very low138 Ų138139.7 Ų139.774%0.73875%0.745SS**  trans-95.798.9170.1-86.3-20.6000108.3T186T186-D188 PolarHBondContact O-N 3.12Å
189R40.1Very low43.6Very low224 Ų224145.3 Ų145.385%0.84576%0.764SS**  trans10.8112.5149.4-65.3175.8173.6-179.4-2.4114.2I191R189-I191 VanDerWaalsContact C-N 3.32Å; R189-I191 PolarHBondContact O-N 2.97Å
190I37.1Very low41.4Very low156 Ų156144.2 Ų144.280%0.877%0.77SS**  trans-60.297.1160.8-52.8179.7000107.7V192I190-V192 HydrophobicContact CG2-CG2 3.31Å
191I37.1Very low39.5Very low143 Ų143144.1 Ų144.173%0.73377%0.774SS**  trans-88.198.2154.5-60.6-179.9000104.8R189 E193R189-I191 VanDerWaalsContact C-N 3.32Å; R189-I191 PolarHBondContact O-N 2.97Å; I191-E193 HydrophobicContact CG2-CG 4.41Å; I191-E193 PolarHBondContact O-N 3.01Å
192V33.8Very low38.4Very low117 Ų117142.5 Ų142.571%0.70977%0.773SS**  trans-73.7100.1166-175.10000106.6I190I190-V192 HydrophobicContact CG2-CG2 3.31Å
193E34.5Very low37.3Very low167 Ų167140 Ų14078%0.7877%0.77SS**PPolyproline II helixtrans-79.5131.6154.2-80.8-165.4154.300108.7I191 V195I191-E193 HydrophobicContact CG2-CG 4.41Å; I191-E193 PolarHBondContact O-N 3.01Å; E193-V195 PolarHBondContact O-N 2.97Å
194P35.6Very low36.4Very low119 Ų119141.5 Ų141.577%0.77378%0.777SS**PPolyproline II helixtrans-82.3119.1-174.431.6-30.5000110.5
195V35.5Very low35.8Very low133 Ų133145 Ų14581%0.80679%0.786SS**PPolyproline II helixtrans-85.1137.7162178.50000108.5E193 S197E193-V195 PolarHBondContact O-N 2.97Å; V195-S197 PolarHBondContact O-N 3.21Å
196P34.5Very low34.9Very low125 Ų125139.4 Ų139.481%0.81278%0.783SS**PPolyproline II helixtrans-72.1123.2-175.2-824000111.1
197S29.1Very low34.1Very low112 Ų112141.8 Ų141.878%0.78379%0.792SS**PPolyproline II helixtrans-83.2123.7173.3178.70000111V195 R199V195-S197 PolarHBondContact O-N 3.21Å; S197-R199 PolarHBondContact O-N 3.04Å
198M32.8Very low33Very low184 Ų184144.2 Ų144.291%0.90679%0.791SS**PPolyproline II helixtrans-65.9123.1162.8-101.4-179.1159.200109.4
199R31Very low32.5Very low208 Ų208148.9 Ų148.979%0.78580%0.799SS**PPolyproline II helixtrans-65154.9171.5-67.3-175.3-174.9-156.42.1111.3S197S197-R199 PolarHBondContact O-N 3.04Å
200P32.9Very low32Very low130 Ų130146.4 Ų146.484%0.84480%0.8SS**  -126143.611220.9-4.6000112.6
201N27.5Very low31.7Very low125 Ų125143.2 Ų143.267%0.66880%0.797SS**  trans-71.1131.6177.2-70.4-26.8000111.2
202I30.8Very low31.6Very low169 Ų169145.1 Ų145.187%0.86781%0.807SS**  trans-140.2120.6143.9-64.6-173.5000108.2
203S27.4Very low31.5Very low96 Ų96142.9 Ų142.967%0.67181%0.807SS**  trans-63.6149.4167.447.60000110.4
204T29.2Very low31.3Very low130 Ų130139.8 Ų139.880%0.79880%0.804SS**  167.415585.3-23.70000108
205E29.6Very low31.2Very low196 Ų196140.4 Ų140.492%0.91681%0.808SS**  trans-53.4156.4-170.5-59.5-172.2135.500117.9
206G31.8Very low31Very low77 Ų77142.5 Ų142.579%0.79481%0.809SS**  trans170.996.7163.800000112.6
207D29.2Very low30.8Very low152 Ų152142.2 Ų142.281%0.81381%0.811SS**  trans-46.7143.5171-170.412.9000113.4
208V30.8Very low31.1Very low128 Ų128142 Ų14278%0.77681%0.809SS**  trans169.3129.9135159.90000111.6
209R32.2Very low31.2Very low236 Ų236139.2 Ų139.289%0.89180%0.802SS**  trans-39.6137.3175.7-64.2167.7177.2171.8-1.9115.8
210I29.2Very low31.2Very low171 Ų171133.6 Ų133.688%0.87779%0.794SS**  trans-120.9121.2158.5-62.6-173.8000109.8
211A31.2Very low31.7Very low90 Ų90135.7 Ų135.774%0.74479%0.791SS**  trans-70.7149.6171.700000111.3G213A211-G213 PolarHBondContact O-N 3.25Å
212I35.8Very low32.7Very low183 Ų183132.6 Ų132.694%0.93878%0.779SS**  trans-60.2121.3173.3-63166.9000109.2
213G29.8Very low33.7Very low69 Ų69130.3 Ų130.371%0.71177%0.768SS**  trans-147.5123.4170.600000110A211A211-G213 PolarHBondContact O-N 3.25Å
214S31.9Very low35.3Very low102 Ų102131.2 Ų131.271%0.71377%0.765SS**  trans-60.5149.1174.553.60000112.3E216S214-E216 PolarHBondContact O-N 3.26Å
215P33.2Very low36.8Very low133 Ų133128.7 Ų128.786%0.86475%0.753SS**  trans-82105.4170.631.5-28.1000110.2
216E31.9Very low38.6Very low176 Ų176125.5 Ų125.582%0.82274%0.742SS**  trans-73.2115.6151.9-71.3-172.5151.200108S214 S218S214-E216 PolarHBondContact O-N 3.26Å; E216-S218 PolarHBondContact O-N 2.96Å
217S29.6Very low40.5Very low120 Ų120129.5 Ų129.584%0.83973%0.734SS**  trans-74.390.2169.356.50000109.5
218S34.7Very low42.6Very low108 Ų108126.1 Ų126.176%0.75572%0.719SS**  trans-90.2111.2160.650.70000108.7E216 S220E216-S218 PolarHBondContact O-N 2.96Å; S218-S220 PolarHBondContact O-N 2.94Å
219V35.3Very low44.6Very low125 Ų125122.2 Ų122.276%0.75870%0.697SS**  trans-71.2115.5166.8174.50000106.9F221V219-F221 PolarHBondContact O-N 3.08Å
220S31.6Very low46.8Very low89 Ų89119.1 Ų119.162%0.62269%0.687SS**  trans-57.9123.6175.8-177.30000110.8S218 S222S218-S220 PolarHBondContact O-N 2.94Å; S220-S222 PolarHBondContact OG-OG 2.03Å
221F41.9Very low49.2Very low175 Ų175114.7 Ų114.777%0.76866%0.664SS**  trans-9210.5177.9-113.8-92.1000113.1V219 D223V219-F221 PolarHBondContact O-N 3.08Å; F221-D223 PolarHBondContact O-N 3.06Å
222S49Very low51.4Low60 Ų60114.7 Ų114.742%0.4265%0.651SS.*Hα-helixtrans-71.4-30.6-170.356.40000114.7S220 S225S220-S222 PolarHBondContact OG-OG 2.03Å; S222-S225 PolarHBondContact O-N 3.44Å
223D53.1Low53.8Low120 Ų120114.5 Ų114.564%0.64264%0.64SS**Hα-helixtrans-84.9-22.4-165.3-60.5-11.6000112.7F221F221-D223 PolarHBondContact O-N 3.06Å
224N59.8Low56.3Low115 Ų115114.1 Ų114.162%0.61563%0.63SS**Hα-helixtrans-75.1-30.1172.8-86.47.1000112.7V228N224-V228 WeakPolarHBondContact O-CB 3.4Å; N224-V228 WeakPolarHBondContact O-CG2 3.37Å; N224-V228 PolarHBondContact O-N 3.24Å
225S61.6Low58.8Low77 Ų77112.3 Ų112.354%0.53862%0.615SS.*Hα-helixtrans-68.9-41.4-178.9-169.60000111.7S222 S229S222-S225 PolarHBondContact O-N 3.44Å; S225-S229 WeakPolarHBondContact O-CB 3.28Å; S225-S229 PolarHBondContact O-N 2.95Å; S225-S229 PolarHBondContact O-OG 3.43Å; S225-S229 VanDerWaalsContact O-OG 3.05Å
226L67.1Low61.4Low130 Ų130110.8 Ų110.868%0.68160%0.598SS**Hα-helixtrans-66.5-40.3177.8-81164.8000111.9S229 Y230L226-S229 PolarHBondContact O-N 2.84Å; L226-Y230 WeakPolarHBondContact O-CB 3.43Å; L226-Y230 PolarHBondContact O-N 3Å
227Y71.5Confident64.2Low160 Ų160106.1 Ų106.163%0.62758%0.583SS**Hα-helixtrans-66.4-42.1177.9-165-103.5000112Y230 I231Y227-Y230 PolarHBondContact O-N 3.4Å; Y227-I231 HydrophobicContact CD1-CD1 3.66Å; Y227-I231 HydrophobicContact CE1-CD1 3.39Å; Y227-I231 HydrophobicContact CE1-CG1 4.39Å; Y227-I231 WeakPolarHBondContact O-CG1 3.23Å; Y227-I231 PolarHBondContact O-N 2.99Å
228V72.4Confident66.8Low81 Ų81103.1 Ų103.149%0.49157%0.565SS.*Hα-helixtrans-66.2-42.8175.6172.80000111.3N224 Y230 I231 L232N224-V228 WeakPolarHBondContact O-CB 3.4Å; N224-V228 WeakPolarHBondContact O-CG2 3.37Å; N224-V228 PolarHBondContact O-N 3.24Å; V228-Y230 VanDerWaalsContact C-N 3.34Å; V228-Y230 PolarHBondContact O-N 2.78Å; V228-I231 PolarHBondContact O-N 2.78Å; V228-L232 HydrophobicContact CG1-CD1 3.98Å; V228-L232 WeakPolarHBondContact O-CG 3.45Å; V228-L232 PolarHBondContact O-N 2.77Å
229S74.4Confident69.2Low46 Ų46102.8 Ų102.832%0.32255%0.553SS.*Hα-helixtrans-60.5-43.1174.6-670000111.7S225 L226 L232 Y233S225-S229 WeakPolarHBondContact O-CB 3.28Å; S225-S229 PolarHBondContact O-N 2.95Å; S225-S229 PolarHBondContact O-OG 3.43Å; S225-S229 VanDerWaalsContact O-OG 3.05Å; L226-S229 PolarHBondContact O-N 2.84Å; S229-L232 PolarHBondContact O-N 2.97Å; S229-Y233 WeakPolarHBondContact O-CD2 3.39Å; S229-Y233 PolarHBondContact O-N 2.88Å
230Y78Confident71.8Confident171 Ų171101.9 Ų101.967%0.67154%0.543SS*.Hα-helixtrans-63.7-42.5178.8-170.7-98.8000112.5L226 Y227 V228 L232 Y233 A234L226-Y230 WeakPolarHBondContact O-CB 3.43Å; L226-Y230 PolarHBondContact O-N 3Å; Y227-Y230 PolarHBondContact O-N 3.4Å; V228-Y230 VanDerWaalsContact C-N 3.34Å; V228-Y230 PolarHBondContact O-N 2.78Å; Y230-L232 VanDerWaalsContact C-N 3.34Å; Y230-L232 PolarHBondContact O-N 2.83Å; Y230-Y233 PolarHBondContact O-N 2.77Å; Y230-A234 WeakPolarHBondContact O-CB 3.24Å; Y230-A234 PolarHBondContact O-N 3.42Å
231I78.2Confident74.6Confident78 Ų78102.6 Ų102.640%0.454%0.54SS..Hα-helixtrans-62.6-42.1175-68.7171.6000110.8Y227 V228 A234 T235Y227-I231 HydrophobicContact CD1-CD1 3.66Å; Y227-I231 HydrophobicContact CE1-CD1 3.39Å; Y227-I231 HydrophobicContact CE1-CG1 4.39Å; Y227-I231 WeakPolarHBondContact O-CG1 3.23Å; Y227-I231 PolarHBondContact O-N 2.99Å; V228-I231 PolarHBondContact O-N 2.78Å; I231-A234 PolarHBondContact O-N 2.76Å; I231-T235 HydrophobicContact CG2-CG2 4.14Å; I231-T235 WeakPolarHBondContact O-CB 3.5Å; I231-T235 WeakPolarHBondContact O-CG2 3.34Å; I231-T235 PolarHBondContact O-N 2.97Å; I231-T235 PolarHBondContact O-OG1 3.14Å
232L78Confident76.8Confident91 Ų9199.7 Ų99.748%0.47653%0.532SS..Hα-helixtrans-64.5-45.6177.6-72.4169.2000111.6V228 S229 Y230 A234 T235 I236V228-L232 HydrophobicContact CG1-CD1 3.98Å; V228-L232 WeakPolarHBondContact O-CG 3.45Å; V228-L232 PolarHBondContact O-N 2.77Å; S229-L232 PolarHBondContact O-N 2.97Å; Y230-L232 VanDerWaalsContact C-N 3.34Å; Y230-L232 PolarHBondContact O-N 2.83Å; L232-A234 VanDerWaalsContact C-N 3.29Å; L232-A234 PolarHBondContact O-N 3.4Å; L232-T235 PolarHBondContact O-N 3.15Å; L232-T235 PolarHBondContact O-OG1 2.96Å; L232-I236 HydrophobicContact CB-CD1 4.41Å; L232-I236 WeakPolarHBondContact O-CB 3.34Å; L232-I236 WeakPolarHBondContact O-CD1 3.37Å; L232-I236 WeakPolarHBondContact O-CG1 3.47Å; L232-I236 PolarHBondContact O-N 3.19Å
233Y86.8Confident78.9Confident179 Ų179100.7 Ų100.770%0.70253%0.532SS*.Hα-helixtrans-65.6-30.5177.6-74.4-61.3000113.3S229 Y230 P237S229-Y233 WeakPolarHBondContact O-CD2 3.39Å; S229-Y233 PolarHBondContact O-N 2.88Å; Y230-Y233 PolarHBondContact O-N 2.77Å; Y233-P237 WeakPolarHBondContact O-CD 2.99Å; Y233-P237 VanDerWaalsContact O-CG 3.3Å; Y233-P237 WeakPolarHBondContact O-CG 3.5Å
234A81.6Confident80.8Confident60 Ų60100 Ų10050%0.49653%0.528SS..Hα-helixtrans-77-36.4175.300000112.8Y230 I231 L232Y230-A234 WeakPolarHBondContact O-CB 3.24Å; Y230-A234 PolarHBondContact O-N 3.42Å; I231-A234 PolarHBondContact O-N 2.76Å; L232-A234 VanDerWaalsContact C-N 3.29Å; L232-A234 PolarHBondContact O-N 3.4Å
235T84.6Confident82.3Confident65 Ų65100 Ų10040%0.39953%0.527SS..Hα-helixtrans-84.2-31.4-17453.30000113.5I231 L232 A238 M239I231-T235 HydrophobicContact CG2-CG2 4.14Å; I231-T235 WeakPolarHBondContact O-CB 3.5Å; I231-T235 WeakPolarHBondContact O-CG2 3.34Å; I231-T235 PolarHBondContact O-N 2.97Å; I231-T235 PolarHBondContact O-OG1 3.14Å; L232-T235 PolarHBondContact O-N 3.15Å; L232-T235 PolarHBondContact O-OG1 2.96Å; T235-A238 PolarHBondContact O-N 2.65Å; T235-M239 WeakPolarHBondContact O-CB 3.45Å; T235-M239 VanDerWaalsContact O-CG 3.31Å; T235-M239 WeakPolarHBondContact O-CG 3.3Å; T235-M239 PolarHBondContact O-N 3.11Å
236I87.8Confident83.8Confident101 Ų10199.2 Ų99.252%0.51853%0.525SS..Hα-helixtrans-61.6-49.2-179.6-69.5163.9000112.4L232 A238 M239 L240L232-I236 HydrophobicContact CB-CD1 4.41Å; L232-I236 WeakPolarHBondContact O-CB 3.34Å; L232-I236 WeakPolarHBondContact O-CD1 3.37Å; L232-I236 WeakPolarHBondContact O-CG1 3.47Å; L232-I236 PolarHBondContact O-N 3.19Å; I236-A238 VanDerWaalsContact C-N 3.33Å; I236-A238 PolarHBondContact O-N 3.21Å; I236-M239 PolarHBondContact O-N 2.99Å; I236-L240 WeakPolarHBondContact O-CB 2.87Å; I236-L240 PolarHBondContact O-N 3.15Å
237P90.5Very high84.9Confident77 Ų7794.8 Ų94.850%0.551%0.507SS..Hα-helixtrans-64.3-37.1177.6-21.934000112.7Y233 L240 L241Y233-P237 WeakPolarHBondContact O-CD 2.99Å; Y233-P237 VanDerWaalsContact O-CG 3.3Å; Y233-P237 WeakPolarHBondContact O-CG 3.5Å; P237-L240 PolarHBondContact O-N 2.52Å; P237-L241 WeakPolarHBondContact O-CB 3.38Å; P237-L241 PolarHBondContact O-N 3Å
238A84.8Confident85.9Confident57 Ų5789.6 Ų89.647%0.47150%0.497SS..Hα-helixtrans-65.3-4417800000111.5T235 I236 L241 L242T235-A238 PolarHBondContact O-N 2.65Å; I236-A238 VanDerWaalsContact C-N 3.33Å; I236-A238 PolarHBondContact O-N 3.21Å; A238-L241 PolarHBondContact O-N 3.47Å; A238-L242 WeakPolarHBondContact O-CB 3.27Å; A238-L242 PolarHBondContact O-N 3.29Å
239M85.4Confident86.9Confident101 Ų10187.6 Ų87.650%0.49849%0.494SS..Hα-helixtrans-64.8-41.3174.9-73.2-62.2-65.400111.7T235 I236 L241 L242 L243T235-M239 WeakPolarHBondContact O-CB 3.45Å; T235-M239 VanDerWaalsContact O-CG 3.31Å; T235-M239 WeakPolarHBondContact O-CG 3.3Å; T235-M239 PolarHBondContact O-N 3.11Å; I236-M239 PolarHBondContact O-N 2.99Å; M239-L241 VanDerWaalsContact C-N 3.35Å; M239-L241 PolarHBondContact O-N 2.81Å; M239-L242 PolarHBondContact O-N 3.17Å; M239-L243 VanDerWaalsContact O-CG 3.3Å; M239-L243 WeakPolarHBondContact O-CG 3.35Å; M239-L243 PolarHBondContact O-N 3.14Å
240L89.8Confident87.8Confident106 Ų10689.2 Ų89.256%0.55550%0.495SS*.Hα-helixtrans-63.6-41.4177.6-156.8109.4000111.7I236 P237 L243 L244I236-L240 WeakPolarHBondContact O-CB 2.87Å; I236-L240 PolarHBondContact O-N 3.15Å; P237-L240 PolarHBondContact O-N 2.52Å; L240-L243 PolarHBondContact O-N 3.12Å; L240-L244 HydrophobicContact CD2-CD1 4.4Å; L240-L244 WeakPolarHBondContact O-CG 3.35Å; L240-L244 PolarHBondContact O-N 2.84Å
241L91Very high88.3Confident105 Ų10588.2 Ų88.255%0.5549%0.494SS..Hα-helixtrans-62.9-43.8175.6-176.765.4000111.6P237 A238 M239 L243 L244 L245P237-L241 WeakPolarHBondContact O-CB 3.38Å; P237-L241 PolarHBondContact O-N 3Å; A238-L241 PolarHBondContact O-N 3.47Å; M239-L241 VanDerWaalsContact C-N 3.35Å; M239-L241 PolarHBondContact O-N 2.81Å; L241-L243 VanDerWaalsContact C-N 3.3Å; L241-L243 PolarHBondContact O-N 2.73Å; L241-L244 PolarHBondContact O-N 3.15Å; L241-L245 HydrophobicContact CG-CD1 4.42Å; L241-L245 WeakPolarHBondContact O-CG 3.37Å; L241-L245 PolarHBondContact O-N 3.24Å
242L88.3Confident88.8Confident114 Ų11487.7 Ų87.760%0.59750%0.497SS*.Hα-helixtrans-64.7-36.7179.8-148.8149.8000111.4A238 M239 L245 A246A238-L242 WeakPolarHBondContact O-CB 3.27Å; A238-L242 PolarHBondContact O-N 3.29Å; M239-L242 PolarHBondContact O-N 3.17Å; L242-L245 PolarHBondContact O-N 2.88Å; L242-A246 WeakPolarHBondContact O-CB 3.33Å; L242-A246 PolarHBondContact O-N 2.91Å
243L91.6Very high89.3Confident81 Ų8191.1 Ų91.142%0.42451%0.505SS..Hα-helixtrans-66-40.2172.7-70.4177.9000113F7 M239 L240 L241 A246 A247F7-L243 HydrophobicContact CE2-CD2 3.96Å; F7-L243 HydrophobicContact CZ-CD2 3.57Å; M239-L243 VanDerWaalsContact O-CG 3.3Å; M239-L243 WeakPolarHBondContact O-CG 3.35Å; M239-L243 PolarHBondContact O-N 3.14Å; L240-L243 PolarHBondContact O-N 3.12Å; L241-L243 VanDerWaalsContact C-N 3.3Å; L241-L243 PolarHBondContact O-N 2.73Å; L243-A246 PolarHBondContact O-N 2.78Å; L243-A247 WeakPolarHBondContact O-CB 3.22Å; L243-A247 PolarHBondContact O-N 2.84Å
244L92.8Very high89.2Confident106 Ų10690.1 Ų90.156%0.55550%0.5SS*.Hα-helixtrans-64.5-41.6175.7-71.1172.1000111.6L240 L241 A247 A248L240-L244 HydrophobicContact CD2-CD1 4.4Å; L240-L244 WeakPolarHBondContact O-CG 3.35Å; L240-L244 PolarHBondContact O-N 2.84Å; L241-L244 PolarHBondContact O-N 3.15Å; L244-A247 PolarHBondContact O-N 3.43Å; L244-A248 WeakPolarHBondContact O-CB 3.3Å; L244-A248 PolarHBondContact O-N 3.46Å
245L91.5Very high89.2Confident114 Ų11492.7 Ų92.760%0.59750%0.501SS*.Hα-helixtrans-65-42.3176.2-68.2174.5000111.8L241 L242 A248 G249L241-L245 HydrophobicContact CG-CD1 4.42Å; L241-L245 WeakPolarHBondContact O-CG 3.37Å; L241-L245 PolarHBondContact O-N 3.24Å; L242-L245 PolarHBondContact O-N 2.88Å; L245-A248 PolarHBondContact O-N 2.88Å; L245-G249 PolarHBondContact O-N 3.11Å
246A93.1Very high88.8Confident60 Ų6094.9 Ų94.950%0.49651%0.507SS..Hα-helixtrans-64.3-42175.700000112L242 L243 G249 F250L242-A246 WeakPolarHBondContact O-CB 3.33Å; L242-A246 PolarHBondContact O-N 2.91Å; L243-A246 PolarHBondContact O-N 2.78Å; A246-G249 PolarHBondContact O-N 3.04Å; A246-F250 WeakPolarHBondContact O-CB 3.28Å; A246-F250 PolarHBondContact O-N 3.49Å
247A91.9Very high88.3Confident37 Ų3791.7 Ų91.731%0.30650%0.495SS..Hα-helixtrans-63.7-4817600000111.3L243 L244 G249 F250 F251L243-A247 WeakPolarHBondContact O-CB 3.22Å; L243-A247 PolarHBondContact O-N 2.84Å; L244-A247 PolarHBondContact O-N 3.43Å; A247-G249 VanDerWaalsContact C-N 3.35Å; A247-G249 PolarHBondContact O-N 3.1Å; A247-F250 PolarHBondContact O-N 3.26Å; A247-F251 VanDerWaalsContact O-CD2 3.25Å; A247-F251 WeakPolarHBondContact O-CD2 3.47Å; A247-F251 PolarHBondContact O-N 3.29Å
248A92.4Very high87.7Confident51 Ų5195.7 Ų95.742%0.42151%0.505SS..Hα-helixtrans-58.6-46.5176.100000111.3L244 L245 F250 F251 C252L244-A248 WeakPolarHBondContact O-CB 3.3Å; L244-A248 PolarHBondContact O-N 3.46Å; L245-A248 PolarHBondContact O-N 2.88Å; A248-F250 VanDerWaalsContact C-N 3.33Å; A248-F250 PolarHBondContact O-N 3.04Å; A248-F251 PolarHBondContact O-N 3.47Å; A248-C252 WeakPolarHBondContact O-CB 3.23Å; A248-C252 PolarHBondContact O-N 3.27Å; A248-C252 PolarHBondContact O-SG 3.1Å
249G92.1Very high87.1Confident40 Ų40100.5 Ų100.541%0.41251%0.511SS..Hα-helixtrans-58.7-42.2175.300000112.8L245 A246 A247 C252 Y253L245-G249 PolarHBondContact O-N 3.11Å; A246-G249 PolarHBondContact O-N 3.04Å; A247-G249 VanDerWaalsContact C-N 3.35Å; A247-G249 PolarHBondContact O-N 3.1Å; G249-C252 PolarHBondContact O-N 3.46Å; G249-Y253 VanDerWaalsContact O-CB 3.29Å; G249-Y253 WeakPolarHBondContact O-CB 3.11Å; G249-Y253 PolarHBondContact O-N 2.68Å
250F92.9Very high86.2Confident80 Ų80103.7 Ų103.735%0.35152%0.517SS..Hα-helixtrans-65.3-42.6176-177.1-98.4000112.5F3 A246 A247 A248 Y253 R254F3-F250 HydrophobicContact CD2-CE1 4.33Å; F3-F250 AromaticContact CE2-CD1 3.96Å; F3-F250 HydrophobicContact CE2-CD1 3.96Å; F3-F250 AromaticContact CE2-CE1 3.75Å; F3-F250 HydrophobicContact CE2-CE1 3.75Å; F3-F250 HydrophobicContact CE2-CZ 4.23Å; A246-F250 WeakPolarHBondContact O-CB 3.28Å; A246-F250 PolarHBondContact O-N 3.49Å; A247-F250 PolarHBondContact O-N 3.26Å; A248-F250 VanDerWaalsContact C-N 3.33Å; A248-F250 PolarHBondContact O-N 3.04Å; F250-Y253 PolarHBondContact O-N 2.72Å; F250-R254 HydrophobicContact CD1-CG 4.21Å; F250-R254 HydrophobicContact CE1-CG 3.86Å; F250-R254 HydrophobicContact CE2-CG 4.41Å; F250-R254 HydrophobicContact CZ-CG 3.98Å; F250-R254 VanDerWaalsContact O-CG 3.28Å; F250-R254 WeakPolarHBondContact O-CG 3.43Å; F250-R254 PolarHBondContact O-N 3.27Å
251F88.8Confident85.2Confident149 Ų149106 Ų10665%0.65452%0.523SS*.Hα-helixtrans-63.8-45.1175.4-87.9-76.7000111.8A247 A248 Y253 R254 Q255A247-F251 VanDerWaalsContact O-CD2 3.25Å; A247-F251 WeakPolarHBondContact O-CD2 3.47Å; A247-F251 PolarHBondContact O-N 3.29Å; A248-F251 PolarHBondContact O-N 3.47Å; F251-Y253 PolarHBondContact O-N 2.79Å; F251-R254 PolarHBondContact O-N 2.88Å; F251-Q255 WeakPolarHBondContact O-CB 3.37Å; F251-Q255 PolarHBondContact O-N 3.43Å
252C88.5Confident83.9Confident68 Ų68105.4 Ų105.446%0.45952%0.524SS..Hα-helixtrans-60.3-45.3174.7-69.80000111.3A248 G249 R254 Q255 H256A248-C252 WeakPolarHBondContact O-CB 3.23Å; A248-C252 PolarHBondContact O-N 3.27Å; A248-C252 PolarHBondContact O-SG 3.1Å; G249-C252 PolarHBondContact O-N 3.46Å; C252-R254 PolarHBondContact O-N 2.94Å; C252-Q255 PolarHBondContact O-N 1.97Å; C252-H256 PolarHBondContact O-CD2 2.85Å; C252-H256 PolarHBondContact O-N 3.07Å
253Y88.5Confident82.4Confident162 Ų162106.4 Ų106.464%0.63553%0.525SS*.Hα-helixtrans-60.2-46.4176.6175.9-98.9000111.8G249 F250 F251 Q255 H256 A257G249-Y253 VanDerWaalsContact O-CB 3.29Å; G249-Y253 WeakPolarHBondContact O-CB 3.11Å; G249-Y253 PolarHBondContact O-N 2.68Å; F250-Y253 PolarHBondContact O-N 2.72Å; F251-Y253 PolarHBondContact O-N 2.79Å; Y253-Q255 VanDerWaalsContact C-N 3.33Å; Y253-Q255 PolarHBondContact O-N 2.77Å; Y253-H256 PolarHBondContact O-N 2.69Å; Y253-A257 WeakPolarHBondContact O-CB 3.05Å; Y253-A257 PolarHBondContact O-N 3.28Å
254R84.7Confident80.6Confident159 Ų159107.8 Ų107.860%0.654%0.537SS*.Hα-helixtrans-64-38.2177.6-69.6-127.377.4177.57.3112.2F250 F251 C252 A257 K258F250-R254 HydrophobicContact CD1-CG 4.21Å; F250-R254 HydrophobicContact CE1-CG 3.86Å; F250-R254 HydrophobicContact CE2-CG 4.41Å; F250-R254 HydrophobicContact CZ-CG 3.98Å; F250-R254 VanDerWaalsContact O-CG 3.28Å; F250-R254 WeakPolarHBondContact O-CG 3.43Å; F250-R254 PolarHBondContact O-N 3.27Å; F251-R254 PolarHBondContact O-N 2.88Å; C252-R254 PolarHBondContact O-N 2.94Å; R254-A257 PolarHBondContact O-N 3.32Å; R254-K258 WeakPolarHBondContact O-CB 2.98Å; R254-K258 PolarHBondContact O-N 3.03Å
255Q81.6Confident78.9Confident114 Ų114110.7 Ų110.753%0.53355%0.548SS..Hα-helixtrans-67-42.8177-167.5174.717.400111.4F251 C252 Y253 K258 R259F251-Q255 WeakPolarHBondContact O-CB 3.37Å; F251-Q255 PolarHBondContact O-N 3.43Å; C252-Q255 PolarHBondContact O-N 1.97Å; Y253-Q255 VanDerWaalsContact C-N 3.33Å; Y253-Q255 PolarHBondContact O-N 2.77Å; Q255-K258 PolarHBondContact O-N 2.86Å; Q255-R259 WeakPolarHBondContact O-CG 3.1Å; Q255-R259 PolarHBondContact O-N 3.45Å
256H76.6Confident76.8Confident111 Ų111108.8 Ų108.851%0.51454%0.544SS..Hα-helixtrans-63.6-42.9173.3-89.4-82.7000112.2C252 Y253 K258 R259 R260C252-H256 PolarHBondContact O-CD2 2.85Å; C252-H256 PolarHBondContact O-N 3.07Å; Y253-H256 PolarHBondContact O-N 2.69Å; H256-K258 VanDerWaalsContact C-N 3.31Å; H256-K258 PolarHBondContact O-N 3.1Å; H256-R259 PolarHBondContact O-N 3.46Å; H256-R260 WeakPolarHBondContact O-CG 2.8Å; H256-R260 PolarHBondContact O-N 2.55Å
257A77.4Confident74.9Confident33 Ų33114.5 Ų114.527%0.27356%0.558SS.*Hα-helixtrans-64.5-36.117700000112.1Y253 R254 K261Y253-A257 WeakPolarHBondContact O-CB 3.05Å; Y253-A257 PolarHBondContact O-N 3.28Å; R254-A257 PolarHBondContact O-N 3.32Å; A257-K261 PolarHBondContact O-N 3.05Å
258K78.2Confident72.7Confident162 Ų162118.8 Ų118.870%0.70458%0.583SS**Hα-helixtrans-68-43.2174.5-164178-178.4-176.80111.3R254 Q255 H256 K261 T262R254-K258 WeakPolarHBondContact O-CB 2.98Å; R254-K258 PolarHBondContact O-N 3.03Å; Q255-K258 PolarHBondContact O-N 2.86Å; H256-K258 VanDerWaalsContact C-N 3.31Å; H256-K258 PolarHBondContact O-N 3.1Å; K258-K261 PolarHBondContact O-N 3.11Å; K258-T262 PolarHBondContact O-N 3.38Å; K258-T262 PolarHBondContact O-OG1 3.39Å
259R72.3Confident70.2Confident158 Ų158120 Ų12060%0.59660%0.6SS**Hα-helixtrans-59.7-45.2174.9-77.6-173.1-179.5-173.71.8112.2Q255 H256 K261 T262 E263Q255-R259 WeakPolarHBondContact O-CG 3.1Å; Q255-R259 PolarHBondContact O-N 3.45Å; H256-R259 PolarHBondContact O-N 3.46Å; R259-K261 VanDerWaalsContact C-N 3.32Å; R259-K261 PolarHBondContact O-N 3Å; R259-T262 WeakPolarHBondContact CA-OG1 3.25Å; R259-T262 PolarHBondContact O-N 2.76Å; R259-T262 PolarHBondContact O-OG1 3.49Å; R259-E263 PolarHBondContact O-N 2.92Å; R259-E263 VanDerWaalsContact O-N 3.11Å
260R67Low67.3Low167 Ų167130 Ų13063%0.6363%0.626SS**Hα-helixtrans-60.6-38.2176.2-71.3-171.7-148.6-169.15.1112.8H256 E263 T264H256-R260 WeakPolarHBondContact O-CG 2.8Å; H256-R260 PolarHBondContact O-N 2.55Å; R260-E263 PolarHBondContact O-N 3.36Å; R260-T264 PolarHBondContact O-N 2.96Å; R260-T264 PolarHBondContact O-OG1 2.81Å
261K68.3Low64.7Low155 Ų155131 Ų13167%0.67464%0.643SS**Hα-helixtrans-65.6-41177.2-77.9-172.1176.7-166.60112.3A257 K258 R259 E263 T264 E265A257-K261 PolarHBondContact O-N 3.05Å; K258-K261 PolarHBondContact O-N 3.11Å; R259-K261 VanDerWaalsContact C-N 3.32Å; R259-K261 PolarHBondContact O-N 3Å; K261-E263 VanDerWaalsContact C-N 3.35Å; K261-E263 PolarHBondContact O-N 3.41Å; K261-T264 PolarHBondContact O-N 3.33Å; K261-E265 PolarHBondContact O-N 3.1Å
262T63.3Low62.6Low92 Ų92133.6 Ų133.656%0.56465%0.653SS**Hα-helixtrans-66.1-31.8174.627.50000113.7K258 R259K258-T262 PolarHBondContact O-N 3.38Å; K258-T262 PolarHBondContact O-OG1 3.39Å; R259-T262 WeakPolarHBondContact CA-OG1 3.25Å; R259-T262 PolarHBondContact O-N 2.76Å; R259-T262 PolarHBondContact O-OG1 3.49Å
263E58Low60.1Low135 Ų135139 Ų13963%0.63167%0.672SS**Hα-helixtrans-74.4-27.6173.3-76.6175.5157.300113R259 R260 K261 S266R259-E263 PolarHBondContact O-N 2.92Å; R259-E263 VanDerWaalsContact O-N 3.11Å; R260-E263 PolarHBondContact O-N 3.36Å; K261-E263 VanDerWaalsContact C-N 3.35Å; K261-E263 PolarHBondContact O-N 3.41Å; E263-S266 PolarHBondContact O-OG 3.29Å; E263-S266 VanDerWaalsContact O-OG 3.07Å
264T53.8Low57.5Low110 Ų110139.3 Ų139.368%0.67568%0.684SS**Hα-helixtrans-78.1-26.1178.1-46.60000111.8R260 K261R260-T264 PolarHBondContact O-N 2.96Å; R260-T264 PolarHBondContact O-OG1 2.81Å; K261-T264 PolarHBondContact O-N 3.33Å
265E56.1Low55Low167 Ų167140.2 Ų140.278%0.7870%0.697SS**Hα-helixtrans-84.4-12.1176.8-72.7-169.816900114.2K261 F267K261-E265 PolarHBondContact O-N 3.1Å; E265-F267 VanDerWaalsContact C-N 3.31Å; E265-F267 PolarHBondContact O-N 3.1Å
266S48.2Very low53.1Low75 Ų75140.4 Ų140.452%0.52471%0.708SS.*THydrogen-bonded Turntrans-82.70.8178.360.80000114.9E263E263-S266 PolarHBondContact O-OG 3.29Å; E263-S266 VanDerWaalsContact O-OG 3.07Å
267F51.6Low51.1Low179 Ų179142.1 Ų142.179%0.78573%0.727SS**  trans-135.594.1176-73.3-81.7000112.8E265E265-F267 VanDerWaalsContact C-N 3.31Å; E265-F267 PolarHBondContact O-N 3.1Å
268P46Very low48.9Very low127 Ų127144.8 Ų144.883%0.82575%0.749SS**  trans-105.6116.7162.632.8-21.1000110.9
269G39.7Very low47.1Very low76 Ų76142.8 Ų142.878%0.78475%0.753SS**  trans141.1137.314600000118.3
270R32.4Very low45.2Very low251 Ų251140.1 Ų140.195%0.94776%0.758SS**  trans93125.7157.2-144167.1-165.4178.44.9114.5
271S37.8Very low43.4Very low101 Ų101138.9 Ų138.971%0.70677%0.768SS**  cis-156.3149.216-164.30000110.6
272K45.2Very low41.6Very low203 Ų203136.4 Ų136.488%0.88377%0.771SS**  trans-84.5144.2160.6-66.8179176.1-179.70109.6
273Q35.1Very low39.9Very low182 Ų182137.1 Ų137.185%0.8578%0.78SS**  trans-162.1100.7156-130.4162.5-14.100107.9
274L33.2Very low38.7Very low168 Ų168137.8 Ų137.888%0.8879%0.786SS**  63.4101.687-153.680000113.8
275M33.7Very low37.5Very low178 Ų178141.5 Ų141.588%0.87780%0.796SS**  trans-76.6153.9166.8-77.1-78.3158.700111.6
276P41.1Very low36.1Very low119 Ų119136.9 Ų136.977%0.77379%0.793SS**  trans-117.7150.7152.21011.9000114.2
277T33.9Very low36.1Very low146 Ų146138.1 Ų138.190%0.89680%0.799SS**  trans-58150.8-177.5100000117.3
278A32Very low35.3Very low90 Ų90140.2 Ų140.274%0.74480%0.803SS**  trans-76168.1165.500000112.2
279P40.1Very low34.5Very low120 Ų120138.5 Ų138.578%0.77980%0.8SS**  -155.3151.289.239.8-19.6000118.9
280S33Very low34.1Very low102 Ų102143.9 Ų143.971%0.71380%0.802SS**  trans48.3125.8135.370.80000126.3
281V29.8Very low34.1Very low140 Ų140135.9 Ų135.985%0.84879%0.785SS**  89.8142123.8179.10000121.6
282S29Very low33.8Very low103 Ų103138.3 Ų138.372%0.7279%0.79SS**  trans-67.5158.5-164.653.60000121.3
283S28.9Very low33.2Very low108 Ų108135.8 Ų135.876%0.75578%0.784SS**  -178.9138.1117.369.30000115.4
284I31.3Very low33.1Very low149 Ų149133.5 Ų133.576%0.76478%0.783SS**  trans25.9124.4135.2-54.2170000120.9
285Q28.3Very low33.1Very low188 Ų188134.1 Ų134.188%0.87978%0.782SS**  170.9134.4118.2-121.3145.7-23.300113.1
286G27.1Very low33Very low70 Ų70132.6 Ų132.672%0.72278%0.776SS**  trans-84.7-158.8167.300000112.7
287P48.8Very low33.2Very low101 Ų101132.3 Ų132.366%0.65677%0.774SS**  cis-140.8-157.94.840.5-17.8000115.3
288Y33.9Very low33.1Very low222 Ų222133.6 Ų133.687%0.87177%0.77SS**  trans91141.8172.5-48.2-70.5000116.5
289A30.9Very low33Very low91 Ų91133.9 Ų133.975%0.75277%0.772SS**  cis-178143.2-25.100000104.8
290F30.7Very low32.4Very low189 Ų189132.4 Ų132.483%0.82977%0.77SS**  trans161.6139.3130.5-158.7-100.8000111.4
291S32Very low32.2Very low83 Ų83135 Ų13558%0.5878%0.775SS**  trans-73.8157.6-170.6-42.60000113.5
292D31.1Very low32.1Very low153 Ų153134.5 Ų134.582%0.81877%0.768SS**  -168144.7105.6-98.9-21.5000113.5
293I32.6Very low32.1Very low149 Ų149140 Ų14076%0.76477%0.774SS**  trans-91.8142.3-177.9-71.5163.2000108.4
294T34.7Very low32Very low134 Ų134145.4 Ų145.482%0.82278%0.778SS**  trans-158.5111.1143.88.10000111.4
295E32.4Very low32Very low182 Ų182143.5 Ų143.585%0.8577%0.774SS**  trans55.5122.2141.1-60-156.6153.200123.4
296L31.6Very low32.1Very low146 Ų146141.7 Ų141.776%0.76477%0.765SS**  trans-89.6156.7156-99.7157.7000108.6
297P45.8Very low32.2Very low113 Ų113142.3 Ų142.373%0.73476%0.764SS**  -150.9148.976.535.1-13.4000118.9
298H31Very low31.4Very low172 Ų172145.9 Ų145.980%0.79677%0.771SS**  trans35.1124.5139.1-62.9-67.1000123.4
299A30.2Very low31.3Very low96 Ų96142.5 Ų142.579%0.79377%0.767SS**  157.9112.2117.400000108.7
300A27.8Very low31.2Very low90 Ų90147.1 Ų147.174%0.74478%0.775SS**  93.4132.683.600000113.2
301L28.2Very low31.1Very low156 Ų156144.5 Ų144.582%0.81778%0.775SS**  trans66.4142.2168.3-94.375.8000116.2
302D28.2Very low31Very low130 Ų130149.7 Ų149.770%0.69579%0.787SS**  cis-162.4168.118.2-140-17.6000111.5
303Y28.8Very low31Very low217 Ų217153.1 Ų153.185%0.85179%0.79SS**  trans-25.3133.2179.1-104.8-106.6000119.9
304R27.4Very low30.8Very low223 Ų223151.4 Ų151.484%0.84279%0.791SS**  trans-103.7160.6159.4-159.7-179.3-166.5-178.44.1108.4
305T29.5Very low30.8Very low109 Ų109150.7 Ų150.767%0.66979%0.79SS**  trans76.7137.4165.134.30000115.2
306Q30.9Very low30.8Very low150 Ų150148 Ų14870%0.70179%0.789SS**  cis-164.9129.814.3-147.8148.8-2400107.7
307A29.6Very low30.7Very low83 Ų83151.4 Ų151.469%0.68679%0.793SS**  trans-94.2150.8151.900000107.3
308E31.8Very low30Very low176 Ų176151.3 Ų151.382%0.82280%0.795SS**  trans81.6118.1164.7-55.5174.7169.600116.8
309I31.2Very low30Very low151 Ų151152.3 Ų152.377%0.77480%0.8SS**  -169.8106.7125.9-82.3141.7000107
310M28.9Very low30.1Very low187 Ų187155.2 Ų155.292%0.92180%0.801SS**  trans-172.689142.6-92.6-126.6174.500109.1
311T29.1Very low30.2Very low135 Ų135155.2 Ų155.283%0.82880%0.801SS**  trans-143.295163.3-27.30000109
312K29.2Very low30.2Very low191 Ų191157 Ų15783%0.8381%0.806SS**  trans-149.2107.3159.7-72.9-172.1-178.3179.50102.9
313Y31.6Very low30.2Very low226 Ų226160.8 Ų160.889%0.88681%0.812SS**  -143.5132.965.6-62.7-90.6000110.7
314S27.9Very low30.9Very low112 Ų112155.2 Ų155.278%0.78380%0.802SS**  trans-151.4130.3166.5-68.40000108.4
315C35Very low31Very low119 Ų119150.5 Ų150.580%0.80479%0.794SS**PPolyproline II helixtrans-68.1141.2169.4-74.10000110.2
316P33.4Very low31Very low126 Ų126155.3 Ų155.382%0.81880%0.801SS**PPolyproline II helixtrans-78.4137.1-166.828-32.3000113.8
317Y28.1Very low31Very low218 Ų218156.3 Ų156.386%0.85581%0.806SS**PPolyproline II helixtrans-65.2141161.9-99.1-99.9000110.6
318S31.6Very low31.3Very low111 Ų111159.3 Ų159.378%0.77681%0.81SS**PPolyproline II helixtrans-102.7127.8169.848.10000109.9
319H32.5Very low31.3Very low193 Ų193156.7 Ų156.789%0.89481%0.806SS**  trans-136.9139.5157.3-118.2-79.1000109.1
320D30.6Very low31.3Very low156 Ų156155.4 Ų155.483%0.83481%0.806SS**  trans-68.9134.4-169.2-165.212.3000114
321A30.2Very low31.2Very low90 Ų90152.9 Ų152.974%0.74480%0.804SS**  trans172.1112.5145.700000114
322Q29Very low31.1Very low195 Ų195151.7 Ų151.791%0.91180%0.802SS**  trans50.1113.9137.3-117.7157.4-3.200123.3
323Y28.9Very low31.3Very low209 Ų209151.3 Ų151.382%0.8280%0.803SS**  trans-21.9168.6159.6-111.4-111000121
324P41.9Very low31.2Very low100 Ų100149.8 Ų149.865%0.64980%0.801SS**  cis-129.3170.5-8.84.922000118.5
325D30.5Very low31.4Very low124 Ų124153.7 Ų153.766%0.66381%0.807SS**  trans47.3126143.4-66.8-23.9000122.7
326Y29.6Very low31.2Very low210 Ų210153.6 Ų153.682%0.82480%0.803SS**  -179.9133.4102.7-99.3-81.4000112.5
327E31.3Very low31Very low171 Ų171151.2 Ų151.280%0.79980%0.801SS**  trans56.2133.8147.7-80.2-176.9-168.600126
328N34.8Very low31.1Very low145 Ų145150.4 Ų150.478%0.77580%0.803SS**  trans-76.4123.3173175.136.3000111.2
329V31.6Very low31.1Very low121 Ų121151.4 Ų151.473%0.73380%0.804SS**  trans-137.9118.6161.5-171.70000110.1
330T32.2Very low31.2Very low125 Ų125147.2 Ų147.277%0.76779%0.792SS**  trans-56.3129.9166.929.60000112.1
331C27.2Very low31.3Very low133 Ų133147.5 Ų147.590%0.89979%0.794SS**  trans-105.6124.1168.2-86.90000112
332S25.9Very low31.3Very low111 Ų111149.4 Ų149.478%0.77679%0.791SS**  trans-62.9155.2179.9-166.40000114.1
333E33.4Very low31.4Very low182 Ų182147.5 Ų147.585%0.8579%0.785SS**  trans-40.6138.4165.1-66170.3144.900113.2
334K29.9Very low31.5Very low195 Ų195148.4 Ų148.485%0.84879%0.789SS**  trans-137102.2154.8-80-172.2176.8175.20109.6
335E31.8Very low31Very low193 Ų193152.1 Ų152.190%0.90280%0.798SS**  trans-53.5130.6148.6-95.5178.6147.400109.8
336T31.4Very low31Very low117 Ų117151.3 Ų151.372%0.71880%0.802SS**  trans-145.2113152.950.30000108.6
337G29.4Very low30.9Very low77 Ų77145.8 Ų145.879%0.79480%0.8SS**  trans-68.5157.2176.500000113.2
338F29.8Very low30.8Very low200 Ų200149.2 Ų149.288%0.87781%0.805SS**  trans-111.4129.3170.9-92.9-91.3000110.5
339V30.7Very low30.4Very low132 Ų132148.4 Ų148.480%0.881%0.806SS**  trans-74129.1171.8172.80000108.3
340T34.4Very low30.2Very low106 Ų106151.4 Ų151.465%0.6581%0.812SS**  trans-79.9130.8170.552.90000109.5
341N33.2Very low29.9Very low162 Ų162150.2 Ų150.287%0.86681%0.809SS**  trans-101.792160.7-105.2-1.2000107.6
342D29.9Very low29.9Very low129 Ų129155.2 Ų155.269%0.6981%0.809SS**  trans-76.7129.2155.8-57.2-53000107.4
343I30.8Very low29.9Very low155 Ų155161.1 Ų161.180%0.79581%0.814SS**  trans179.494.8146.3-83.7144000106.7
344Y31.8Very low29.6Very low228 Ų228158.7 Ų158.789%0.89482%0.815SS**  -16684.4125.3-112.3-79.6000107.6
345E31.3Very low29.4Very low178 Ų178160.3 Ų160.383%0.83282%0.816SS**  trans-81.3138.2147.5-100.5-178.1158.800106.2
346S30.1Very low29.2Very low108 Ų108155.7 Ų155.776%0.75581%0.805SS**  -172.4151.878.3-62.20000113
347A27.2Very low29Very low94 Ų94159 Ų15978%0.77781%0.813SS**  trans94.189.2146.900000118.2
348R29.1Very low29.1Very low242 Ų242162.9 Ų162.991%0.91382%0.815SS**  -171.5122.476.8-106.6177.9173.2159.1-2112.8
349T26.7Very low29Very low128 Ų128156.4 Ų156.479%0.78580%0.804SS**  trans-42.1132.9157.8430000114.6
350Q27.6Very low29Very low184 Ų184161.8 Ų161.886%0.8681%0.811SS**  -176.2114.5101.5-114.3168.9-1200113
351S25.9Very low29Very low100 Ų100162 Ų16270%0.69981%0.811SS**  50.9110.3127.1-160.10000119.1
352R27.4Very low29.2Very low238 Ų238163.5 Ų163.590%0.89881%0.813SS**  176.9135.4101.7-95.3175.5177.6177.7-0.9112.6
353R27.2Very low29.6Very low236 Ų236164 Ų16489%0.89182%0.816SS**  trans-44.7141.2155.3-75171167.1166.9-4.6111
354C26.4Very low30.3Very low130 Ų130164.6 Ų164.688%0.87882%0.816SS**  -179150.2106.6-97.60000113.9
355R24.9Very low30.7Very low230 Ų230160.7 Ų160.787%0.86881%0.808SS**  trans-57.8150.9174.3-126.3179.1-171.3179.3-0.3113.5
356S27.7Very low31.2Very low95 Ų95162.8 Ų162.866%0.66481%0.81SS**  trans27.7124.6138.967.50000119.3
357Q28.1Very low31.8Very low188 Ų188164.9 Ų164.988%0.87985%0.849SS**  -161.8142.6116.8-122170.6-900113
358D31.2Very low32.1Very low157 Ų157168.5 Ų168.584%0.8485%0.853SS**  trans-53.3159.7165.5-49.3-74000113
359G27.8Very low32.2Very low64 Ų64164.6 Ų164.666%0.6685%0.85SS**  trans147.695.4149.300000117
360W29.6Very low32.5Very low245 Ų245166.6 Ų166.693%0.92885%0.853SS**  trans47.9114137.1-65.593000121.9
361V36.3Very low32.8Very low110 Ų110165.6 Ų165.667%0.66785%0.853SS**  trans10.7125.8132.8-169.70000117.9
362E36.8Very low33.3Very low194 Ų194169.7 Ų169.791%0.90786%0.863SS**  trans-141.9132.6134.1-106.7173.9-167.400109.9
363N38.8Very low33.7Very low139 Ų139165.1 Ų165.174%0.74386%0.86SS**  trans-84.3164.6173.8-86.2-25.2000110.6
364E45.2Very low34.1Very low169 Ų169160.1 Ų160.179%0.7986%0.858SS**  trans85.3127167.6-42.9-146.8-175.900113.4
365I38.9Very low34.7Very low145 Ų145162.4 Ų162.474%0.74486%0.857SS**  -170.7132.570-84.5173.7000108.9
366Y43.3Very low35.5Very low222 Ų222156.8 Ų156.887%0.87186%0.856SS**  trans45.7129.9147.4-73.3-101.4000123.2
367G42.7Very low36.2Very low153 Ų153162.4 Ų162.4100%1.57787%0.873SS**  trans169.30160.100000111.8

Retrieved 367 of 367 residues in 248.3 ms (Link to these results)

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