A0A060X058_ONCMY Loading...

V-set and immunoglobulin domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A060X058, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110533953, Length 324 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M44.7Very low49.5Very low249 Ų249155.8 Ų155.8100%1.22783%0.825SS**  0150.50-70.816275.400108.5
2S39.8Very low49.5Very low103 Ų103151.3 Ų151.372%0.7282%0.816SS**  trans96.691.9-179.8-160.70000116.9
3P48.7Very low49.7Very low125 Ų125152.8 Ų152.881%0.81282%0.818SS**  trans-97.7121.6149.933.8-23.1000109.7
4T47.2Very low50.2Low118 Ų118154.3 Ų154.372%0.72482%0.82SS**  trans-125.469.5164.848.90000110R6T4-R6 PolarHBondContact O-N 3.2Å
5L49.6Very low50.5Low162 Ų162147.8 Ų147.885%0.84881%0.805SS**  trans-63.497.2165.9-178.367.9000108.2M7L5-M7 VanDerWaalsContact C-N 3.35Å; L5-M7 PolarHBondContact O-N 3.38Å
6R54Low51Low236 Ų236146.3 Ų146.389%0.89181%0.807SS**  trans-7192.5174.2-74.1-170.7175-160.8-1.5109T4 A8T4-R6 PolarHBondContact O-N 3.2Å; R6-A8 PolarHBondContact O-N 3.2Å
7M50.6Low51.7Low159 Ų159140.9 Ų140.978%0.78379%0.793SS**  trans-68.1103.2172.4-167.515468.700108.7L5 L9L5-M7 VanDerWaalsContact C-N 3.35Å; L5-M7 PolarHBondContact O-N 3.38Å; M7-L9 PolarHBondContact O-N 3.44Å; M7-L9 VanDerWaalsContact O-N 3.1Å
8A53Low52.6Low90 Ų90138.3 Ų138.374%0.74477%0.773SS**  trans-71.2103.9176.200000108.7R6 L10R6-A8 PolarHBondContact O-N 3.2Å; A8-L10 PolarHBondContact O-N 3.23Å
9L53.5Low54.4Low133 Ų133135.1 Ų135.170%0.69675%0.754SS**  trans-67.198.6169.6-79.1164.2000108.5M7 F11M7-L9 PolarHBondContact O-N 3.44Å; M7-L9 VanDerWaalsContact O-N 3.1Å; L9-F11 HydrophobicContact CB-CD2 4.02Å; L9-F11 HydrophobicContact CB-CE2 4.01Å; L9-F11 HydrophobicContact CD1-CE2 4.13Å; L9-F11 PolarHBondContact O-N 3.44Å
10L51Low56.2Low172 Ų172128.4 Ų128.490%0.90172%0.716SS**  trans-65.885.1158.7-73.9170.6000107.5A8 S12A8-L10 PolarHBondContact O-N 3.23Å; L10-S12 PolarHBondContact O-N 3.32Å
11F52.3Low58.1Low167 Ų167124.7 Ų124.773%0.73270%0.697SS**  trans-59.4107.3161.2-87.3-86.9000106.9L9 M13L9-F11 HydrophobicContact CB-CD2 4.02Å; L9-F11 HydrophobicContact CB-CE2 4.01Å; L9-F11 HydrophobicContact CD1-CE2 4.13Å; L9-F11 PolarHBondContact O-N 3.44Å; F11-M13 PolarHBondContact O-N 3.41Å
12S49.5Very low60.5Low102 Ų102112.9 Ų112.971%0.71364%0.639SS**  trans-57.1106.8167.6-178.20000107.1L10 M14L10-S12 PolarHBondContact O-N 3.32Å; S12-M14 PolarHBondContact O-N 3.42Å
13M52.8Low63.3Low171 Ų171110.9 Ų110.984%0.84262%0.622SS**  trans-69.280.1166.3-66.1-71.6-75.900106.6F11 G15F11-M13 PolarHBondContact O-N 3.41Å; M13-G15 PolarHBondContact O-N 3.47Å
14M55.6Low65.6Low173 Ų173105.9 Ų105.985%0.85259%0.589SS**  trans-61.484.1150.4-80.6178.265.800105.5S12 C16S12-M14 PolarHBondContact O-N 3.42Å; M14-C16 PolarHBondContact O-N 2.97Å
15G54.9Low68Low57 Ų57104.1 Ų104.159%0.58858%0.58SS**  trans-53.7134.3175.500000107.9M13 G17M13-G15 PolarHBondContact O-N 3.47Å; G15-G17 VanDerWaalsContact C-N 3.31Å; G15-G17 PolarHBondContact O-N 3.35Å
16C59.4Low70.2Confident124 Ų124101.5 Ų101.584%0.83856%0.563SS**  trans-56.9102.5170.2-64.90000107.2M14 H18M14-C16 PolarHBondContact O-N 2.97Å; C16-H18 PolarHBondContact O-N 2.88Å; C16-H18 VanDerWaalsContact O-N 3.15Å
17G62.1Low72.2Confident55 Ų5597.2 Ų97.257%0.56755%0.551SS**  trans-65116.1179.100000107.9G15 L19G15-G17 VanDerWaalsContact C-N 3.31Å; G15-G17 PolarHBondContact O-N 3.35Å; G17-L19 WeakPolarHBondContact O-CB 3.43Å; G17-L19 PolarHBondContact O-N 3.03Å
18H68.8Low74.4Confident93 Ų9396.2 Ų96.243%0.43154%0.543SS..  trans-57.4102.5170.2-77.3108.8000108.6C16 D123 N125C16-H18 PolarHBondContact O-N 2.88Å; C16-H18 VanDerWaalsContact O-N 3.15Å; H18-D123 WeakPolarHBondContact CA-OD1 3.28Å; H18-D123 WeakPolarHBondContact CB-OD1 3.26Å; H18-D123 IonicContact CD2-OD1 3.28Å; H18-D123 PolarHBondContact CD2-OD1 3.06Å; H18-D123 VanDerWaalsContact CD2-OD1 3.28Å; H18-D123 IonicContact CG-OD1 3.52Å; H18-N125 WeakPolarHBondContact O-CB 3.43Å
19L85.8Confident76.6Confident78 Ų7892.6 Ų92.641%0.40851%0.511SS..EExtended strand (participates in β ladder)trans-127.7127.9-165.1-165.585.6000111.4G17 T46 D123 N125 G126G17-L19 WeakPolarHBondContact O-CB 3.43Å; G17-L19 PolarHBondContact O-N 3.03Å; L19-T46 HydrophobicContact CB-CG2 4.38Å; L19-T46 PolarHBondContact N-OG1 3.15Å; L19-T46 PolarHBondContact O-N 3.43Å; L19-D123 PolarHBondContact N-OD1 2.85Å; L19-N125 WeakPolarHBondContact CA-O 3.45Å; L19-G126 VanDerWaalsContact CD1-CA 3.41Å
20I91.4Very high78.7Confident0 Ų091.1 Ų91.10%050%0.504CS..EExtended strand (participates in β ladder)trans-110.8142166.2-167.7157.6000110.7F43 V44 V118 N120 D123 N125 K127 T128I20-F43 HydrophobicContact CD1-CD2 4.32Å; I20-F43 HydrophobicContact CG1-CB 4.48Å; I20-V44 CarbonylContact C-O 3.49Å; I20-V44 WeakPolarHBondContact CA-O 3.22Å; I20-V118 HydrophobicContact CD1-CB 4.14Å; I20-V118 HydrophobicContact CD1-CG1 3.81Å; I20-N120 HydrophobicContact CD1-CB 4.08Å; I20-D123 HydrophobicContact CB-CB 4.09Å; I20-D123 WeakPolarHBondContact CG2-O 3.34Å; I20-N125 PolarHBondContact N-O 2.75Å; I20-K127 PolarHBondContact O-N 2.96Å; I20-T128 HydrophobicContact CG2-CG2 3.65Å
21T94.8Very high80.9Confident52 Ų5283.4 Ų83.432%0.31946%0.464SS..EExtended strand (participates in β ladder)trans-135.1106.5177.8-61.10000110.2F43 V44 K127T21-F43 WeakPolarHBondContact O-CA 3.33Å; T21-V44 PolarHBondContact N-O 2.93Å; T21-V44 PolarHBondContact O-N 3.48Å; T21-K127 CarbonylContact C-O 3.56Å; T21-K127 WeakPolarHBondContact CA-O 3.28Å
22V96.8Very high83Confident0 Ų077.6 Ų77.60%044%0.443CS..EExtended strand (participates in β ladder)trans-85.3132.2174.6-179.70000110.3C41 T42 F43 V118 K127 T128 A130V22-C41 WeakPolarHBondContact CG1-SG 3.49Å; V22-T42 CarbonylContact C-O 3.59Å; V22-T42 WeakPolarHBondContact CA-O 3.37Å; V22-F43 HydrophobicContact CG2-CB 4.15Å; V22-V118 HydrophobicContact CG2-CB 3.72Å; V22-V118 HydrophobicContact CG2-CG2 3.81Å; V22-K127 PolarHBondContact N-O 2.74Å; V22-K127 PolarHBondContact O-NZ 2.94Å; V22-T128 VanDerWaalsContact CG2-O 3.26Å; V22-T128 WeakPolarHBondContact CG2-O 3.47Å; V22-A130 HydrophobicContact CG1-CB 3.87Å
23T97.5Very high85.3Confident62 Ų6275.5 Ų75.538%0.3842%0.423SS..EExtended strand (participates in β ladder)trans-128.7130-175.2-57.30000110T42T23-T42 PolarHBondContact N-O 3.44Å; T23-T42 PolarHBondContact O-N 3.49Å
24V97.8Very high87.4Confident20 Ų2069.2 Ų69.212%0.12140%0.402CS..  trans-116.9123166.7-60.70000106.3Q40 C41 A130 I132V24-Q40 WeakPolarHBondContact CG1-O 3.37Å; V24-C41 HydrophobicContact CG1-CB 4.36Å; V24-A130 HydrophobicContact CB-CB 4.34Å; V24-A130 HydrophobicContact CG1-CB 3.62Å; V24-A130 HydrophobicContact CG2-CB 3.92Å; V24-I132 HydrophobicContact CB-CD1 4.1Å; V24-I132 HydrophobicContact CB-CG1 3.85Å; V24-I132 HydrophobicContact CG1-CD1 3.87Å; V24-I132 HydrophobicContact CG1-CG1 3.77Å; V24-I132 HydrophobicContact CG2-CG1 4.1Å
25P96.4Very high89.4Confident81 Ų8166 Ų6653%0.52639%0.385SS..SBendtrans-73-36-177.726.9-31.4000111.4Q40P25-Q40 HydrophobicContact CG-CB 3.88Å
26E96.1Very high91.5Very high106 Ų10666.7 Ų66.750%0.49538%0.381SS..  trans-109.6119.4-179.4-66.2-178-169.600110.3V29E26-V29 HydrophobicContact CB-CG2 4.25Å
27K96.2Very high93.3Very high147 Ų14760.9 Ų60.964%0.63934%0.342SS*.SBendtrans-80.9-18.5175-68.7-172.3178.7-176.40113.3I133K27-I133 PolarHBondContact O-N 3.09Å
28F97.6Very high95Very high137 Ų13762.2 Ų62.260%0.60134%0.335SS*.EExtended strand (participates in β ladder)trans-133.9123.2-177.9-60.3-82000108.4I133F28-I133 CarbonylContact C-O 3.59Å; F28-I133 VanDerWaalsContact CA-O 3.29Å; F28-I133 WeakPolarHBondContact CA-O 3.47Å; F28-I133 HydrophobicContact CD1-CB 3.74Å; F28-I133 HydrophobicContact CD1-CG1 4.25Å; F28-I133 HydrophobicContact CD1-CG2 4.09Å; F28-I133 HydrophobicContact CE1-CB 4.03Å; F28-I133 HydrophobicContact CE1-CG1 4.06Å; F28-I133 HydrophobicContact CE1-CG2 4.31Å
29V98.1Very high96.4Very high15 Ų1557.8 Ų57.89%0.09132%0.315CS..EExtended strand (participates in β ladder)trans-121120.4177.3179.30000107.6E26 V31 I132 I133 V134 N135E26-V29 HydrophobicContact CB-CG2 4.25Å; V29-V31 HydrophobicContact CG1-CG2 3.73Å; V29-I132 HydrophobicContact CB-CG2 4.27Å; V29-I132 HydrophobicContact CG2-CG2 3.6Å; V29-I133 PolarHBondContact N-O 2.93Å; V29-V134 CarbonylContact O-C 3.5Å; V29-V134 WeakPolarHBondContact O-CA 3.47Å; V29-N135 PolarHBondContact O-N 3.04Å
30N97.3Very high97Very high102 Ų10257.9 Ų57.955%0.54531%0.313SS..EExtended strand (participates in β ladder)trans-105127.4178.3-66-15.5000108.7N135 L137N30-N135 WeakPolarHBondContact CA-O 3.31Å; N30-N135 WeakPolarHBondContact OD1-CB 3.32Å; N30-N135 PolarHBondContact OD1-ND2 3.15Å; N30-L137 HydrophobicContact CB-CD1 4.09Å; N30-L137 HydrophobicContact CB-CG 4.35Å
31V97.4Very high97.3Very high10 Ų1057.9 Ų57.96%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-135.9138.2-173.9-171.80000109.5V29 E35 A37 M106 N135 I136 L137V29-V31 HydrophobicContact CG1-CG2 3.73Å; V31-E35 HydrophobicContact CG1-CB 3.77Å; V31-A37 HydrophobicContact CG2-CB 3.86Å; V31-M106 HydrophobicContact CG1-CB 4.26Å; V31-M106 HydrophobicContact CG1-CG 4.12Å; V31-N135 PolarHBondContact N-O 3.13Å; V31-I136 HydrophobicContact CB-CD1 4.17Å; V31-I136 CarbonylContact O-C 3.48Å; V31-I136 WeakPolarHBondContact O-CA 3.42Å; V31-L137 PolarHBondContact O-N 2.89Å
32T97.7Very high97.4Very high45 Ų4558.3 Ų58.328%0.27632%0.316SS..EExtended strand (participates in β ladder)trans-74.6143.1175.8-37.70000110G34 E35 L137 V218T32-G34 PolarHBondContact O-N 2.96Å; T32-E35 VanDerWaalsContact CB-CD 3.48Å; T32-E35 WeakPolarHBondContact CB-OE2 3.45Å; T32-E35 PolarHBondContact N-OE2 2.84Å; T32-E35 WeakPolarHBondContact O-CB 3.49Å; T32-E35 PolarHBondContact O-N 3.36Å; T32-E35 PolarHBondContact OG1-OE2 3.42Å; T32-L137 CarbonylContact C-O 3.58Å; T32-L137 WeakPolarHBondContact CA-O 3.44Å; T32-V218 HydrophobicContact CG2-CG1 3.83Å
33N97.2Very high97.3Very high58 Ų5858.4 Ų58.431%0.3132%0.316SS..THydrogen-bonded Turntrans-54.2123.4176.4-172.85000110.5M106 I136 L137 E138N33-M106 PolarHBondContact OD1-O 2.99Å; N33-I136 HydrophobicContact CB-CG2 3.92Å; N33-L137 PolarHBondContact N-O 3.44Å; N33-E138 HydrophobicContact CB-CB 4.11Å
34G96.7Very high97.1Very high38 Ų3860.5 Ų60.539%0.39233%0.329SS..THydrogen-bonded Turntrans93.8-14.5-173.500000115.9T32 M106T32-G34 PolarHBondContact O-N 2.96Å; G34-M106 PolarHBondContact N-O 3.38Å
35E97.8Very high96.8Very high106 Ų10660.6 Ų60.650%0.49533%0.33SS..SBendtrans-79-179.1176.1-64.8-176138.800112.3V31 T32 N105 M106V31-E35 HydrophobicContact CG1-CB 3.77Å; T32-E35 VanDerWaalsContact CB-CD 3.48Å; T32-E35 WeakPolarHBondContact CB-OE2 3.45Å; T32-E35 PolarHBondContact N-OE2 2.84Å; T32-E35 WeakPolarHBondContact O-CB 3.49Å; T32-E35 PolarHBondContact O-N 3.36Å; T32-E35 PolarHBondContact OG1-OE2 3.42Å; E35-N105 PolarHBondContact O-N 2.83Å; E35-M106 WeakPolarHBondContact O-CB 3.19Å; E35-M106 WeakPolarHBondContact O-CG 3.41Å; E35-M106 PolarHBondContact O-N 2.84Å
36S98.1Very high96.4Very high72 Ų7260.4 Ų60.450%0.50333%0.327SS..  trans-107135.3177.4-57.10000111.6I103 S104S36-I103 CarbonylContact C-O 3.47Å; S36-I103 VanDerWaalsContact CA-O 3.3Å; S36-I103 WeakPolarHBondContact CA-O 3.21Å; S36-S104 WeakPolarHBondContact OG-CA 3.28Å; S36-S104 WeakPolarHBondContact OG-CB 3.35Å
37A98.1Very high96Very high2 Ų256.5 Ų56.52%0.01731%0.31CS..EExtended strand (participates in β ladder)trans-98.6127.7174.100000110.7V31 L39 T102 I103 M106V31-A37 HydrophobicContact CG2-CB 3.86Å; A37-L39 HydrophobicContact CB-CD2 4.11Å; A37-T102 CarbonylContact O-C 3.48Å; A37-T102 VanDerWaalsContact O-CA 3.27Å; A37-T102 WeakPolarHBondContact O-CA 3.3Å; A37-I103 PolarHBondContact N-O 3Å; A37-I103 PolarHBondContact O-N 2.91Å; A37-M106 HydrophobicContact CB-CE 3.93Å; A37-M106 HydrophobicContact CB-CG 3.82Å; A37-M106 HydrophobicContact CB-SD 3.76Å
38L97.9Very high95.3Very high82 Ų8258.3 Ų58.343%0.42932%0.321SS..EExtended strand (participates in β ladder)trans-94.6110.4162.8172.662.1000108.7Q40 T102L38-Q40 HydrophobicContact CD1-CG 4.5Å; L38-Q40 HydrophobicContact CD2-CG 3.8Å; L38-Q40 HydrophobicContact CG-CG 3.75Å; L38-Q40 PolarHBondContact O-N 2.84Å; L38-T102 WeakPolarHBondContact CD1-OG1 3.27Å
39L98.4Very high94.7Very high0 Ų056.2 Ų56.20%032%0.316CS..EExtended strand (participates in β ladder)trans-91.589.4176.7-55-172.1000108.6A37 C41 W57 S100 I101 I103 Y114 I132 V134A37-L39 HydrophobicContact CB-CD2 4.11Å; L39-C41 PolarHBondContact O-N 3.21Å; L39-W57 HydrophobicContact CB-CH2 3.5Å; L39-W57 HydrophobicContact CB-CZ2 4.17Å; L39-W57 HydrophobicContact CB-CZ3 3.9Å; L39-W57 HydrophobicContact CD1-CZ3 4.11Å; L39-W57 WeakPolarHBondContact O-CH2 3.35Å; L39-W57 WeakPolarHBondContact O-CZ2 3.14Å; L39-S100 VanDerWaalsContact O-CA 3.3Å; L39-S100 WeakPolarHBondContact O-CA 3.23Å; L39-S100 WeakPolarHBondContact O-CB 3.33Å; L39-I101 HydrophobicContact CB-CG1 4.02Å; L39-I101 HydrophobicContact CD1-CD1 4.2Å; L39-I101 HydrophobicContact CD1-CG1 4.22Å; L39-I101 HydrophobicContact CG-CG1 4.43Å; L39-I101 PolarHBondContact N-O 3.28Å; L39-I101 PolarHBondContact O-N 3.36Å; L39-I103 HydrophobicContact CD1-CD1 3.92Å; L39-Y114 HydrophobicContact CD1-CD1 3.65Å; L39-Y114 HydrophobicContact CD1-CD2 4.17Å; L39-Y114 HydrophobicContact CD1-CE1 4.19Å; L39-Y114 HydrophobicContact CD1-CG 3.65Å; L39-I132 HydrophobicContact CB-CD1 4.1Å; L39-V134 HydrophobicContact CD2-CG2 3.58Å
40Q97.9Very high94Very high81 Ų8156.5 Ų56.538%0.37932%0.318SS..  trans-68.8117.3-175.1-65.8-168.629.500111.8V24 P25 L38 S100V24-Q40 WeakPolarHBondContact CG1-O 3.37Å; P25-Q40 HydrophobicContact CG-CB 3.88Å; L38-Q40 HydrophobicContact CD1-CG 4.5Å; L38-Q40 HydrophobicContact CD2-CG 3.8Å; L38-Q40 HydrophobicContact CG-CG 3.75Å; L38-Q40 PolarHBondContact O-N 2.84Å; Q40-S100 WeakPolarHBondContact CA-OG 3.36Å
41C97.8Very high93.3Very high0 Ų054.3 Ų54.30%031%0.311CS..  trans-135.2122.5173.1-177.80000109.7V22 V24 L39 W57 N98 A99 S100 C116V22-C41 WeakPolarHBondContact CG1-SG 3.49Å; V24-C41 HydrophobicContact CG1-CB 4.36Å; L39-C41 PolarHBondContact O-N 3.21Å; C41-W57 HydrophobicContact CB-CH2 3.87Å; C41-W57 HydrophobicContact CB-CZ2 3.43Å; C41-W57 VanDerWaalsContact CB-CZ2 3.43Å; C41-N98 PolarHBondContact O-OD1 3.46Å; C41-A99 HydrophobicContact CB-CB 4.34Å; C41-A99 CarbonylContact O-C 3.57Å; C41-A99 PolarHBondContact O-N 2.8Å; C41-S100 PolarHBondContact N-OG 2.93Å; C41-S100 PolarHBondContact O-N 3.1Å; C41-S100 VanDerWaalsContact O-N 3.13Å; C41-S100 PolarHBondContact O-OG 3.41Å; C41-S100 VanDerWaalsContact O-OG 3.12Å; C41-C116 HydrophobicContact CB-CB 3.67Å; C41-C116 WeakPolarHBondContact CB-SG 3.47Å; C41-C116 WeakPolarHBondContact SG-CB 3.28Å; C41-C116 CovalentContact SG-SG 2.03Å; C41-C116 PolarHBondContact SG-SG 3.37Å
42T97.1Very high92.7Very high61 Ų6158.6 Ų58.637%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-122.3157.1173.958.40000110.2V22 T23 S97V22-T42 CarbonylContact C-O 3.59Å; V22-T42 WeakPolarHBondContact CA-O 3.37Å; T23-T42 PolarHBondContact N-O 3.44Å; T23-T42 PolarHBondContact O-N 3.49Å; T42-S97 CarbonylContact C-O 3.56Å; T42-S97 VanDerWaalsContact CA-O 3.22Å; T42-S97 WeakPolarHBondContact CA-O 3.46Å; T42-S97 VanDerWaalsContact CB-O 3.32Å; T42-S97 WeakPolarHBondContact CB-O 3.16Å
43F94.6Very high92.3Very high1 Ų156.7 Ų56.70%0.00432%0.321CS..EExtended strand (participates in β ladder)trans-137.9153177.564.7-90000111.1I20 T21 V22 T45 I53 A95 T96 S97 A99 V118I20-F43 HydrophobicContact CD1-CD2 4.32Å; I20-F43 HydrophobicContact CG1-CB 4.48Å; T21-F43 WeakPolarHBondContact O-CA 3.33Å; V22-F43 HydrophobicContact CG2-CB 4.15Å; F43-T45 HydrophobicContact CD2-CG2 4.14Å; F43-T45 HydrophobicContact CE2-CG2 4.02Å; F43-I53 HydrophobicContact CD1-CD1 4.48Å; F43-I53 HydrophobicContact CD2-CD1 4.13Å; F43-I53 HydrophobicContact CE1-CD1 3.74Å; F43-I53 HydrophobicContact CE2-CD1 3.34Å; F43-I53 HydrophobicContact CZ-CD1 3.1Å; F43-A95 HydrophobicContact CE1-CB 4.36Å; F43-A95 HydrophobicContact CZ-CB 4.34Å; F43-T96 WeakPolarHBondContact CE2-O 3.11Å; F43-T96 VanDerWaalsContact CZ-C 3.49Å; F43-S97 VanDerWaalsContact CE1-C 3.47Å; F43-S97 PolarHBondContact N-O 3.27Å; F43-A99 HydrophobicContact CD1-CB 4.06Å; F43-A99 HydrophobicContact CE1-CB 4.27Å; F43-V118 HydrophobicContact CB-CB 4.49Å; F43-V118 HydrophobicContact CB-CG1 4.4Å; F43-V118 HydrophobicContact CB-CG2 4.47Å; F43-V118 HydrophobicContact CD1-CG1 3.91Å; F43-V118 HydrophobicContact CD1-CG2 4.17Å; F43-V118 HydrophobicContact CD2-CG1 4.33Å; F43-V118 HydrophobicContact CE1-CG1 4.29Å; F43-V118 HydrophobicContact CG-CG1 3.94Å
44V93.4Very high92.2Very high106 Ų10654.9 Ų54.964%0.64231%0.311SS*.EExtended strand (participates in β ladder)trans-123.6132.3169.2-178.10000107.7I20 T21I20-V44 CarbonylContact C-O 3.49Å; I20-V44 WeakPolarHBondContact CA-O 3.22Å; T21-V44 PolarHBondContact N-O 2.93Å; T21-V44 PolarHBondContact O-N 3.48Å
45T91.3Very high92.1Very high23 Ų2353.3 Ų53.314%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-130.8142.6-177.7171.30000108.7F43 V47 T50 N120 D123F43-T45 HydrophobicContact CD2-CG2 4.14Å; F43-T45 HydrophobicContact CE2-CG2 4.02Å; T45-V47 PolarHBondContact OG1-N 3.29Å; T45-T50 HydrophobicContact CG2-CG2 4.3Å; T45-N120 PolarHBondContact OG1-ND2 3.2Å; T45-D123 PolarHBondContact OG1-OD2 2.82Å
46T88.1Confident92.1Very high76 Ų7650.9 Ų50.947%0.46628%0.282SS..SBendtrans-77.4-23.9173.652.70000113.1L19 Q48 D123L19-T46 HydrophobicContact CB-CG2 4.38Å; L19-T46 PolarHBondContact N-OG1 3.15Å; L19-T46 PolarHBondContact O-N 3.43Å; T46-Q48 PolarHBondContact O-N 2.91Å; T46-D123 WeakPolarHBondContact CA-OD2 3.44Å; T46-D123 PolarHBondContact N-OD2 2.88Å; T46-D123 VanDerWaalsContact OG1-CG 3.22Å; T46-D123 PolarHBondContact OG1-OD1 2.86Å; T46-D123 PolarHBondContact OG1-OD2 2.93Å
47V86.7Confident92.1Very high24 Ų2447.4 Ų47.415%0.14526%0.258CS..  trans-75.5119175.4170.80000110.8T45 N49 N120 P122 D123T45-V47 PolarHBondContact OG1-N 3.29Å; V47-N49 VanDerWaalsContact C-N 3.28Å; V47-N49 HydrophobicContact CG1-CB 4.4Å; V47-N49 WeakPolarHBondContact CG1-O 3.44Å; V47-N49 PolarHBondContact O-N 3.19Å; V47-N120 PolarHBondContact O-ND2 2.82Å; V47-P122 HydrophobicContact CG2-CG 4.07Å; V47-D123 HydrophobicContact CG2-CB 4.34Å; V47-D123 VanDerWaalsContact CG2-CG 3.46Å; V47-D123 VanDerWaalsContact CG2-OD1 3.24Å; V47-D123 WeakPolarHBondContact CG2-OD1 3.11Å; V47-D123 PolarHBondContact N-OD2 2.58Å
48Q81.8Confident92.1Very high185 Ų18547.9 Ų47.986%0.86426%0.261SS*.SBendtrans-68.4-22.1-178.7-64.1-65.2-56.100114.3T46T46-Q48 PolarHBondContact O-N 2.91Å
49N84.9Confident92.1Very high94 Ų9444.2 Ų44.250%0.50324%0.242SC..  trans-96.3115-179.1-1784.2000110.1V47 S51 N120V47-N49 VanDerWaalsContact C-N 3.28Å; V47-N49 HydrophobicContact CG1-CB 4.4Å; V47-N49 WeakPolarHBondContact CG1-O 3.44Å; V47-N49 PolarHBondContact O-N 3.19Å; N49-S51 VanDerWaalsContact OD1-CB 3.31Å; N49-S51 WeakPolarHBondContact OD1-CB 3.3Å; N49-S51 PolarHBondContact OD1-N 3.48Å; N49-S51 PolarHBondContact OD1-OG 3.49Å; N49-N120 PolarHBondContact O-ND2 2.82Å; N49-N120 PolarHBondContact O-OD1 3.08Å
50T84Confident92.1Very high21 Ų2146 Ų4613%0.12925%0.253CS..  trans-10611176.565.20000113.7T45 N52 I53 A95T45-T50 HydrophobicContact CG2-CG2 4.3Å; T50-N52 PolarHBondContact O-N 2.83Å; T50-N52 VanDerWaalsContact O-N 3.11Å; T50-I53 WeakPolarHBondContact O-CB 3.49Å; T50-I53 VanDerWaalsContact O-CG2 3.22Å; T50-I53 WeakPolarHBondContact O-CG2 3.35Å; T50-I53 PolarHBondContact O-N 2.85Å; T50-I53 VanDerWaalsContact O-N 3.1Å; T50-A95 VanDerWaalsContact CB-O 3.28Å; T50-A95 WeakPolarHBondContact CB-O 3.41Å; T50-A95 PolarHBondContact OG1-O 3.07Å
51S82.3Confident92Very high56 Ų5642.9 Ų42.939%0.39224%0.241SC..THydrogen-bonded Turntrans-63.1-19-177-57.40000115N49 S75 Y93N49-S51 VanDerWaalsContact OD1-CB 3.31Å; N49-S51 WeakPolarHBondContact OD1-CB 3.3Å; N49-S51 PolarHBondContact OD1-N 3.48Å; N49-S51 PolarHBondContact OD1-OG 3.49Å; S51-S75 WeakPolarHBondContact O-CA 3.3Å; S51-S75 PolarHBondContact O-OG 3.01Å; S51-Y93 PolarHBondContact O-OH 2.92Å
52N84.8Confident91.6Very high100 Ų10050.1 Ų50.154%0.53527%0.272SS..THydrogen-bonded Turntrans-120.927.1176.8-64.8-37.9000111.8T50 S75T50-N52 PolarHBondContact O-N 2.83Å; T50-N52 VanDerWaalsContact O-N 3.11Å; N52-S75 PolarHBondContact OD1-OG 2.96Å
53I90.4Very high91.2Very high4 Ų454 Ų542%0.02130%0.296CS..  trans-62140.5173.7-163.1169.9000110.1F43 T50 A95 V118 H119 N120F43-I53 HydrophobicContact CD1-CD1 4.48Å; F43-I53 HydrophobicContact CD2-CD1 4.13Å; F43-I53 HydrophobicContact CE1-CD1 3.74Å; F43-I53 HydrophobicContact CE2-CD1 3.34Å; F43-I53 HydrophobicContact CZ-CD1 3.1Å; T50-I53 WeakPolarHBondContact O-CB 3.49Å; T50-I53 VanDerWaalsContact O-CG2 3.22Å; T50-I53 WeakPolarHBondContact O-CG2 3.35Å; T50-I53 PolarHBondContact O-N 2.85Å; T50-I53 VanDerWaalsContact O-N 3.1Å; I53-A95 HydrophobicContact CG2-CB 4.2Å; I53-V118 HydrophobicContact CD1-CG1 3.66Å; I53-V118 HydrophobicContact CG1-CG1 3.85Å; I53-H119 WeakPolarHBondContact CG1-O 3.27Å; I53-N120 HydrophobicContact CG1-CB 4.21Å
54I93.8Very high91.1Very high21 Ų2156 Ų5611%0.10831%0.31CS..EExtended strand (participates in β ladder)trans-108.7128.2173.5-56.4175000107.4Y72 S73 Q74 V118 H119 F121I54-Y72 HydrophobicContact CG2-CD2 4.37Å; I54-Y72 HydrophobicContact CG2-CE2 3.57Å; I54-S73 WeakPolarHBondContact CA-O 3.17Å; I54-Q74 HydrophobicContact CG1-CB 4.4Å; I54-Q74 HydrophobicContact CG1-CG 4.11Å; I54-V118 WeakPolarHBondContact O-CA 3.32Å; I54-H119 HydrophobicContact CB-CB 4.37Å; I54-H119 PolarHBondContact N-O 3.28Å; I54-H119 PolarHBondContact O-N 2.85Å; I54-F121 HydrophobicContact CD1-CE2 4.02Å
55I95.7Very high91Very high5 Ų558.8 Ų58.83%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-120.9125.3172.7-64.2168.7000107.9Y71 Y72 S73 P91 A95 A99 V118I55-Y71 HydrophobicContact CB-CE1 4.24Å; I55-Y71 HydrophobicContact CG2-CD1 4.25Å; I55-Y71 HydrophobicContact CG2-CE1 3.9Å; I55-Y72 CarbonylContact O-C 3.58Å; I55-Y72 WeakPolarHBondContact O-CA 3.37Å; I55-S73 PolarHBondContact N-O 3.08Å; I55-S73 PolarHBondContact O-N 3.41Å; I55-P91 HydrophobicContact CD1-CG 4.47Å; I55-A95 HydrophobicContact CD1-CB 3.56Å; I55-A99 HydrophobicContact CD1-CB 3.84Å; I55-A99 HydrophobicContact CG1-CB 4.09Å; I55-A99 HydrophobicContact CG2-CB 3.87Å; I55-V118 HydrophobicContact CG1-CG1 4.22Å; I55-V118 HydrophobicContact CG1-CG2 4.44Å
56Q96.8Very high91.1Very high54 Ų5462 Ų6225%0.25234%0.341SS..EExtended strand (participates in β ladder)trans-126.6133.1177.2175.8165.5-88.900109.6Y71 Y72 E117Q56-Y71 WeakPolarHBondContact CA-O 3.47Å; Q56-Y72 HydrophobicContact CB-CD2 4.33Å; Q56-E117 HydrophobicContact CB-CB 4.29Å; Q56-E117 PolarHBondContact N-O 3.47Å; Q56-E117 PolarHBondContact NE2-OE2 2.03Å; Q56-E117 PolarHBondContact O-N 3.5Å
57W98.4Very high91.5Very high0 Ų064.1 Ų64.10%035%0.349CS..EExtended strand (participates in β ladder)trans-113.9130.9164.1-75.685000109.6L39 C41 V70 Y71 A99 I101 T115 C116 I132L39-W57 HydrophobicContact CB-CH2 3.5Å; L39-W57 HydrophobicContact CB-CZ2 4.17Å; L39-W57 HydrophobicContact CB-CZ3 3.9Å; L39-W57 HydrophobicContact CD1-CZ3 4.11Å; L39-W57 WeakPolarHBondContact O-CH2 3.35Å; L39-W57 WeakPolarHBondContact O-CZ2 3.14Å; C41-W57 HydrophobicContact CB-CH2 3.87Å; C41-W57 HydrophobicContact CB-CZ2 3.43Å; C41-W57 VanDerWaalsContact CB-CZ2 3.43Å; W57-V70 HydrophobicContact CB-CB 4Å; W57-V70 HydrophobicContact CB-CG1 4.43Å; W57-V70 WeakPolarHBondContact O-CB 3.45Å; W57-V70 PolarHBondContact O-N 3.44Å; W57-Y71 PolarHBondContact N-O 3.05Å; W57-Y71 PolarHBondContact O-N 3.3Å; W57-A99 PolarHBondContact NE1-O 2.95Å; W57-I101 HydrophobicContact CB-CD1 4.09Å; W57-I101 HydrophobicContact CD2-CD1 3.63Å; W57-I101 HydrophobicContact CD2-CG1 3.95Å; W57-I101 HydrophobicContact CE3-CD1 4.09Å; W57-I101 HydrophobicContact CE3-CG1 4.46Å; W57-I101 HydrophobicContact CG-CD1 3.65Å; W57-I101 HydrophobicContact CG-CG1 4.27Å; W57-I101 HydrophobicContact CH2-CG1 4.45Å; W57-I101 HydrophobicContact CZ2-CG1 3.95Å; W57-T115 WeakPolarHBondContact CA-O 3.32Å; W57-C116 HydrophobicContact CD2-CB 3.95Å; W57-C116 HydrophobicContact CE3-CB 3.96Å; W57-C116 HydrophobicContact CH2-CB 3.67Å; W57-C116 HydrophobicContact CZ2-CB 3.63Å; W57-C116 HydrophobicContact CZ3-CB 3.82Å; W57-I132 HydrophobicContact CH2-CD1 3.89Å; W57-I132 HydrophobicContact CZ3-CD1 4.22Å
58S98.3Very high91.9Very high11 Ų1166.5 Ų66.58%0.07736%0.358CS..EExtended strand (participates in β ladder)trans-121.9157.7172.961.80000111Q68 Y114 T115S58-Q68 CarbonylContact C-O 3.37Å; S58-Q68 VanDerWaalsContact CA-O 3.25Å; S58-Q68 WeakPolarHBondContact CA-O 3.45Å; S58-Y114 CarbonylContact O-C 3.54Å; S58-Y114 VanDerWaalsContact O-CA 3.3Å; S58-Y114 WeakPolarHBondContact O-CA 3.31Å; S58-T115 PolarHBondContact N-O 3.33Å; S58-T115 PolarHBondContact O-N 3.44Å
59F98.1Very high92.7Very high5 Ų561.8 Ų61.82%0.02234%0.336CS..EExtended strand (participates in β ladder)trans-133.4139.1-175.4170.2-116.3000111.1A61 Q68 V70 Y84 D110 A113 Y114F59-A61 HydrophobicContact CE1-CB 3.72Å; F59-A61 VanDerWaalsContact CZ-CA 3.46Å; F59-A61 HydrophobicContact CZ-CB 3.7Å; F59-Q68 PolarHBondContact N-O 2.98Å; F59-Q68 PolarHBondContact O-N 3.24Å; F59-V70 HydrophobicContact CB-CG2 3.38Å; F59-Y84 WeakPolarHBondContact CD1-OH 3.38Å; F59-D110 WeakPolarHBondContact CE2-O 3.38Å; F59-A113 CarbonylContact C-O 3.52Å; F59-A113 VanDerWaalsContact CA-O 3.31Å; F59-A113 WeakPolarHBondContact CA-O 3.38Å; F59-Y114 HydrophobicContact CB-CD1 4.2Å; F59-Y114 HydrophobicContact CB-CE1 4.07Å; F59-Y114 HydrophobicContact CD2-CD1 4.09Å; F59-Y114 AromaticContact CD2-CD2 3.82Å; F59-Y114 HydrophobicContact CD2-CD2 3.82Å; F59-Y114 AromaticContact CD2-CE1 3.71Å; F59-Y114 HydrophobicContact CD2-CE1 3.71Å; F59-Y114 AromaticContact CD2-CE2 3.41Å; F59-Y114 HydrophobicContact CD2-CE2 3.41Å; F59-Y114 VanDerWaalsContact CD2-CE2 3.41Å; F59-Y114 HydrophobicContact CD2-CG 4.14Å; F59-Y114 AromaticContact CD2-CZ 3.33Å; F59-Y114 HydrophobicContact CE2-CD2 4.22Å; F59-Y114 HydrophobicContact CE2-CE1 4.39Å; F59-Y114 AromaticContact CE2-CE2 3.49Å; F59-Y114 HydrophobicContact CE2-CE2 3.49Å; F59-Y114 VanDerWaalsContact CE2-CE2 3.49Å; F59-Y114 AromaticContact CE2-CZ 3.58Å; F59-Y114 HydrophobicContact CG-CE1 4.09Å
60V98.1Very high93.3Very high39 Ų3957.3 Ų57.324%0.23631%0.312CS..EExtended strand (participates in β ladder)trans-126.2111.3168.3-176.90000107.7S64 L67 G112 A113V60-S64 WeakPolarHBondContact CG1-O 3.32Å; V60-L67 HydrophobicContact CG2-CD1 3.63Å; V60-G112 CarbonylContact O-C 3.53Å; V60-G112 VanDerWaalsContact O-CA 3.29Å; V60-G112 WeakPolarHBondContact O-CA 3.42Å; V60-A113 PolarHBondContact N-O 3.28Å; V60-A113 PolarHBondContact O-N 2.85Å
61A95.8Very high93.9Very high14 Ų1456.4 Ų56.412%0.11631%0.306CS..EExtended strand (participates in β ladder)trans-62.5144.6-18000000111.7F59 T63 S64F59-A61 HydrophobicContact CE1-CB 3.72Å; F59-A61 VanDerWaalsContact CZ-CA 3.46Å; F59-A61 HydrophobicContact CZ-CB 3.7Å; A61-T63 PolarHBondContact O-N 3.36Å; A61-S64 PolarHBondContact O-N 3.27Å
62K88.8Confident94.7Very high152 Ų15256.6 Ų56.666%0.66130%0.299SS*.THydrogen-bonded Turntrans-55.5-22.6-176-174.3172.3179.71740114.9A111K62-A111 WeakPolarHBondContact CB-O 3.31Å; K62-A111 PolarHBondContact N-O 2.83Å
63T88.5Confident95.2Very high143 Ų14352.1 Ų52.188%0.87728%0.276SS*.THydrogen-bonded Turntrans-1034.8-179.152.70000114A61A61-T63 PolarHBondContact O-N 3.36Å
64S92.5Very high95.3Very high43 Ų4356.2 Ų56.230%0.30130%0.295SS..  trans-140.5161.6-172.8-174.40000111.6V60 A61 V66V60-S64 WeakPolarHBondContact CG1-O 3.32Å; A61-S64 PolarHBondContact O-N 3.27Å; S64-V66 PolarHBondContact OG-N 2.99Å; S64-V66 VanDerWaalsContact OG-N 3.14Å
65N91.5Very high94.9Very high164 Ų16457.6 Ų57.688%0.87731%0.307SS*.  trans-112.612.1169.6-66.9-50.1000112.1L67N65-L67 PolarHBondContact O-N 2.95Å
66V94.6Very high94.2Very high92 Ų9258.9 Ų58.956%0.55832%0.321SS*.  trans-82.7116.4178.5-179.90000109.6S64S64-V66 PolarHBondContact OG-N 2.99Å; S64-V66 VanDerWaalsContact OG-N 3.14Å
67L95.6Very high93.9Very high119 Ų11963.7 Ų63.762%0.62334%0.343SS*.EExtended strand (participates in β ladder)trans-68.9131.2171.4-167.371.6000110.3V60 N65V60-L67 HydrophobicContact CG2-CD1 3.63Å; N65-L67 PolarHBondContact O-N 2.95Å
68Q95.8Very high93.7Very high75 Ų7567 Ų6735%0.3536%0.361SS..EExtended strand (participates in β ladder)trans-124.2136.7177.7-65.5171.161.900109S58 F59S58-Q68 CarbonylContact C-O 3.37Å; S58-Q68 VanDerWaalsContact CA-O 3.25Å; S58-Q68 WeakPolarHBondContact CA-O 3.45Å; F59-Q68 PolarHBondContact N-O 2.98Å; F59-Q68 PolarHBondContact O-N 3.24Å
69Q97.4Very high93.6Very high85 Ų8569.8 Ų69.840%0.39738%0.377SS..EExtended strand (participates in β ladder)trans-73.8134.7169.9-175.5176.2-40.700109.1Y72 S81Q69-Y72 VanDerWaalsContact NE2-CB 3.29Å; Q69-S81 WeakPolarHBondContact O-CB 3.29Å; Q69-S81 PolarHBondContact O-OG 3.01Å
70V97.9Very high93.6Very high0 Ų072 Ų720%039%0.389CS..EExtended strand (participates in β ladder)trans-101.6-49.7175.9177.60000109.8W57 F59 S81 Y84 L88 I101 I103 Y114W57-V70 HydrophobicContact CB-CB 4Å; W57-V70 HydrophobicContact CB-CG1 4.43Å; W57-V70 WeakPolarHBondContact O-CB 3.45Å; W57-V70 PolarHBondContact O-N 3.44Å; F59-V70 HydrophobicContact CB-CG2 3.38Å; V70-S81 PolarHBondContact O-N 3.37Å; V70-Y84 HydrophobicContact CB-CD2 4.33Å; V70-Y84 HydrophobicContact CB-CE2 4.1Å; V70-Y84 HydrophobicContact CG1-CD1 4.09Å; V70-Y84 HydrophobicContact CG1-CD2 3.86Å; V70-Y84 HydrophobicContact CG1-CE1 4.1Å; V70-Y84 HydrophobicContact CG1-CE2 3.88Å; V70-Y84 HydrophobicContact CG1-CG 3.97Å; V70-Y84 HydrophobicContact CG2-CE2 3.81Å; V70-L88 HydrophobicContact CG1-CD1 3.53Å; V70-I101 HydrophobicContact CG1-CD1 4.1Å; V70-I103 HydrophobicContact CG1-CD1 4.48Å; V70-Y114 HydrophobicContact CG2-CD1 4.15Å; V70-Y114 HydrophobicContact CG2-CE1 4.06Å
71Y98.1Very high93.6Very high2 Ų271.3 Ų71.31%0.00839%0.386CS..EExtended strand (participates in β ladder)trans-150.2143.9-175.7170.6-91.9000109.4I55 Q56 W57 S73 D78 V79 I80 L88 A90 P91I55-Y71 HydrophobicContact CB-CE1 4.24Å; I55-Y71 HydrophobicContact CG2-CD1 4.25Å; I55-Y71 HydrophobicContact CG2-CE1 3.9Å; Q56-Y71 WeakPolarHBondContact CA-O 3.47Å; W57-Y71 PolarHBondContact N-O 3.05Å; W57-Y71 PolarHBondContact O-N 3.3Å; Y71-S73 VanDerWaalsContact CZ-CB 3.49Å; Y71-S73 WeakPolarHBondContact OH-CB 3.28Å; Y71-D78 HydrophobicContact CE2-CB 4.01Å; Y71-D78 VanDerWaalsContact OH-CG 3.32Å; Y71-D78 PolarHBondContact OH-OD1 3.35Å; Y71-V79 WeakPolarHBondContact CA-O 3.4Å; Y71-I80 HydrophobicContact CD2-CG1 4.11Å; Y71-L88 HydrophobicContact CD2-CD2 3.89Å; Y71-A90 HydrophobicContact CD2-CB 4.37Å; Y71-A90 HydrophobicContact CE2-CB 3.47Å; Y71-A90 VanDerWaalsContact CE2-CB 3.47Å; Y71-P91 HydrophobicContact CE1-CG 4.39Å; Y71-P91 WeakPolarHBondContact OH-CD 3.49Å
72Y97.4Very high93.6Very high60 Ų6078.9 Ų78.924%0.23542%0.416CS..EExtended strand (participates in β ladder)trans-138.4143.6168.4176-87.9000108.8I54 I55 Q56 Q69 Q74 V79I54-Y72 HydrophobicContact CG2-CD2 4.37Å; I54-Y72 HydrophobicContact CG2-CE2 3.57Å; I55-Y72 CarbonylContact O-C 3.58Å; I55-Y72 WeakPolarHBondContact O-CA 3.37Å; Q56-Y72 HydrophobicContact CB-CD2 4.33Å; Q69-Y72 VanDerWaalsContact NE2-CB 3.29Å; Y72-Q74 HydrophobicContact CE1-CB 3.79Å; Y72-Q74 PolarHBondContact OH-OE1 3.35Å; Y72-V79 PolarHBondContact N-O 2.87Å; Y72-V79 PolarHBondContact O-N 3.37Å
73S95Very high93.9Very high7 Ų775.4 Ų75.45%0.04941%0.409CS..EExtended strand (participates in β ladder)trans-146.2138.4172.5178.50000111I54 I55 Y71 E77 D78I54-S73 WeakPolarHBondContact CA-O 3.17Å; I55-S73 PolarHBondContact N-O 3.08Å; I55-S73 PolarHBondContact O-N 3.41Å; Y71-S73 VanDerWaalsContact CZ-CB 3.49Å; Y71-S73 WeakPolarHBondContact OH-CB 3.28Å; S73-E77 WeakPolarHBondContact CA-O 3.33Å; S73-D78 WeakPolarHBondContact CB-OD1 3.34Å; S73-D78 PolarHBondContact OG-OD1 2.99Å
74Q93Very high94.3Very high89 Ų8968.8 Ų68.842%0.41637%0.368SS..EExtended strand (participates in β ladder)trans-140.3128173.2179.9170.241.600109I54 Y72 G76 E77I54-Q74 HydrophobicContact CG1-CB 4.4Å; I54-Q74 HydrophobicContact CG1-CG 4.11Å; Y72-Q74 HydrophobicContact CE1-CB 3.79Å; Y72-Q74 PolarHBondContact OH-OE1 3.35Å; Q74-G76 PolarHBondContact O-N 3.43Å; Q74-E77 PolarHBondContact N-O 2.95Å; Q74-E77 PolarHBondContact O-N 2.95Å
75S85.4Confident94.5Very high51 Ų5172.3 Ų72.336%0.35738%0.38SS..THydrogen-bonded Turntrans54.723176.6-54.30000115.3S51 N52S51-S75 WeakPolarHBondContact O-CA 3.3Å; S51-S75 PolarHBondContact O-OG 3.01Å; N52-S75 PolarHBondContact OD1-OG 2.96Å
76G81Confident94.7Very high32 Ų3268.8 Ų68.833%0.3338%0.382SS..THydrogen-bonded Turntrans89.26.5-179.100000115.2Q74 Y93Q74-G76 PolarHBondContact O-N 3.43Å; G76-Y93 VanDerWaalsContact CA-CD2 3.41Å; G76-Y93 VanDerWaalsContact N-CE2 3.34Å
77E91.5Very high94.8Very high154 Ų15466 Ų6672%0.7236%0.362SS*.EExtended strand (participates in β ladder)trans-93113.4167.2-173.3173.2-179.800109.5S73 Q74S73-E77 WeakPolarHBondContact CA-O 3.33Å; Q74-E77 PolarHBondContact N-O 2.95Å; Q74-E77 PolarHBondContact O-N 2.95Å
78D94Very high95Very high71 Ų7160.8 Ų60.838%0.3833%0.334SS..EExtended strand (participates in β ladder)trans-102.4133.2-173.4-63.5-16000111.9Y71 S73Y71-D78 HydrophobicContact CE2-CB 4.01Å; Y71-D78 VanDerWaalsContact OH-CG 3.32Å; Y71-D78 PolarHBondContact OH-OD1 3.35Å; S73-D78 WeakPolarHBondContact CB-OD1 3.34Å; S73-D78 PolarHBondContact OG-OD1 2.99Å
79V96.6Very high95Very high68 Ų6861.8 Ų61.841%0.41234%0.342SS..EExtended strand (participates in β ladder)trans-121.3104.3177-177.60000109.2Y71 Y72Y71-V79 WeakPolarHBondContact CA-O 3.4Å; Y72-V79 PolarHBondContact N-O 2.87Å; Y72-V79 PolarHBondContact O-N 3.37Å
80I97.6Very high94.8Very high51 Ų5159.6 Ų59.626%0.26234%0.338SS..EExtended strand (participates in β ladder)trans-91.8130.8173.8-56.8177.3000108.7Y71 E85 L88Y71-I80 HydrophobicContact CD2-CG1 4.11Å; I80-E85 HydrophobicContact CG2-CG 4.43Å; I80-L88 HydrophobicContact CD1-CD2 4.01Å; I80-L88 HydrophobicContact CG1-CD2 4.14Å; I80-L88 HydrophobicContact CG2-CB 4.23Å
81S97.1Very high94.5Very high26 Ų2660.1 Ų60.118%0.18234%0.342CS..  trans-72.2142.4176.1-72.70000112.1Q69 V70 P83 Y84 E85Q69-S81 WeakPolarHBondContact O-CB 3.29Å; Q69-S81 PolarHBondContact O-OG 3.01Å; V70-S81 PolarHBondContact O-N 3.37Å; S81-P83 VanDerWaalsContact C-N 3.34Å; S81-P83 WeakPolarHBondContact O-CD 3.5Å; S81-Y84 WeakPolarHBondContact O-CA 3.41Å; S81-Y84 WeakPolarHBondContact O-CB 3.42Å; S81-Y84 PolarHBondContact O-N 3.48Å; S81-E85 PolarHBondContact O-N 3.41Å
82K96.2Very high94Very high173 Ų17366.2 Ų66.275%0.75238%0.379SS*.G310 helixtrans-39.4-44.4-178.3-68-175176.5-170.10116.9Y84 E85K82-Y84 PolarHBondContact O-N 2.96Å; K82-Y84 VanDerWaalsContact O-N 3.09Å; K82-E85 WeakPolarHBondContact CA-OE1 3.42Å; K82-E85 VanDerWaalsContact CG-OE1 3.28Å; K82-E85 WeakPolarHBondContact CG-OE1 3.18Å; K82-E85 PolarHBondContact O-N 2.9Å
83P95.4Very high93.3Very high79 Ų7968.1 Ų68.151%0.51339%0.387SS..G310 helixtrans-65.7-10178.8-20.734.6000114.8S81 R87S81-P83 VanDerWaalsContact C-N 3.34Å; S81-P83 WeakPolarHBondContact O-CD 3.5Å; P83-R87 VanDerWaalsContact O-CZ 3.31Å; P83-R87 PolarHBondContact O-NE 3.45Å; P83-R87 PolarHBondContact O-NH2 2.84Å
84Y96.9Very high92.6Very high4 Ų471.3 Ų71.32%0.01641%0.408CS..G310 helixtrans-120.4-4.4-176.1-59-81.1000113F59 V70 S81 K82 G86 R87 L88 I103 Y114F59-Y84 WeakPolarHBondContact CD1-OH 3.38Å; V70-Y84 HydrophobicContact CB-CD2 4.33Å; V70-Y84 HydrophobicContact CB-CE2 4.1Å; V70-Y84 HydrophobicContact CG1-CD1 4.09Å; V70-Y84 HydrophobicContact CG1-CD2 3.86Å; V70-Y84 HydrophobicContact CG1-CE1 4.1Å; V70-Y84 HydrophobicContact CG1-CE2 3.88Å; V70-Y84 HydrophobicContact CG1-CG 3.97Å; V70-Y84 HydrophobicContact CG2-CE2 3.81Å; S81-Y84 WeakPolarHBondContact O-CA 3.41Å; S81-Y84 WeakPolarHBondContact O-CB 3.42Å; S81-Y84 PolarHBondContact O-N 3.48Å; K82-Y84 PolarHBondContact O-N 2.96Å; K82-Y84 VanDerWaalsContact O-N 3.09Å; Y84-G86 PolarHBondContact O-N 2.95Å; Y84-R87 WeakPolarHBondContact O-CG 3.22Å; Y84-R87 PolarHBondContact O-N 3.37Å; Y84-L88 HydrophobicContact CG-CD1 4.5Å; Y84-L88 WeakPolarHBondContact O-CB 3.35Å; Y84-L88 PolarHBondContact O-N 3.45Å; Y84-I103 HydrophobicContact CD1-CD1 4.15Å; Y84-I103 HydrophobicContact CD1-CG2 4.09Å; Y84-I103 HydrophobicContact CE1-CD1 4Å; Y84-I103 HydrophobicContact CE1-CG2 4.45Å; Y84-Y114 HydrophobicContact CE1-CE1 4.35Å; Y84-Y114 PolarHBondContact OH-OH 2.84Å
85E96.2Very high92Very high117 Ų11767.3 Ų67.355%0.54739%0.39SS..THydrogen-bonded Turntrans-55.9135.4174.5-76.7175.4-155.700110.9I80 S81 K82 R87I80-E85 HydrophobicContact CG2-CG 4.43Å; S81-E85 PolarHBondContact O-N 3.41Å; K82-E85 WeakPolarHBondContact CA-OE1 3.42Å; K82-E85 VanDerWaalsContact CG-OE1 3.28Å; K82-E85 WeakPolarHBondContact CG-OE1 3.18Å; K82-E85 PolarHBondContact O-N 2.9Å; E85-R87 PolarHBondContact O-N 3.32Å; E85-R87 VanDerWaalsContact O-N 3.15Å
86G96.1Very high91.9Very high89 Ų8969.4 Ų69.492%0.91840%0.401SS*.THydrogen-bonded Turntrans72.3-3.9-179.600000116.2Y84Y84-G86 PolarHBondContact O-N 2.95Å
87R97.3Very high92.4Very high34 Ų3470.9 Ų70.913%0.12841%0.406CS..THydrogen-bonded Turntrans-128.1-17.2178.369178.7-171.5118.3-5.3115.5P83 Y84 E85 S104 D110P83-R87 VanDerWaalsContact O-CZ 3.31Å; P83-R87 PolarHBondContact O-NE 3.45Å; P83-R87 PolarHBondContact O-NH2 2.84Å; Y84-R87 WeakPolarHBondContact O-CG 3.22Å; Y84-R87 PolarHBondContact O-N 3.37Å; E85-R87 PolarHBondContact O-N 3.32Å; E85-R87 VanDerWaalsContact O-N 3.15Å; R87-S104 WeakPolarHBondContact CA-OG 3.48Å; R87-S104 WeakPolarHBondContact CB-OG 3.44Å; R87-S104 PolarHBondContact O-N 2.85Å; R87-S104 PolarHBondContact O-OG 3.25Å; R87-D110 IonicContact CZ-OD1 2.84Å; R87-D110 IonicContact CZ-OD2 3.74Å; R87-D110 IonicContact NH1-OD1 2.75Å; R87-D110 IonicContact NH1-OD2 3.37Å; R87-D110 PolarHBondContact NH1-OD2 2.81Å; R87-D110 IonicContact NH2-OD1 3.6Å; R87-D110 PolarHBondContact NH2-OD1 3.43Å; R87-D110 IonicContact NH2-OD2 3.44Å; R87-D110 PolarHBondContact NH2-OD2 2.77Å
88L98.1Very high92.5Very high9 Ų967.3 Ų67.35%0.04739%0.392CS..EExtended strand (participates in β ladder)trans-91127.2172.4-176.9154.1000110.9V70 Y71 I80 Y84 I101 T102 I103V70-L88 HydrophobicContact CG1-CD1 3.53Å; Y71-L88 HydrophobicContact CD2-CD2 3.89Å; I80-L88 HydrophobicContact CD1-CD2 4.01Å; I80-L88 HydrophobicContact CG1-CD2 4.14Å; I80-L88 HydrophobicContact CG2-CB 4.23Å; Y84-L88 HydrophobicContact CG-CD1 4.5Å; Y84-L88 WeakPolarHBondContact O-CB 3.35Å; Y84-L88 PolarHBondContact O-N 3.45Å; L88-I101 HydrophobicContact CD1-CD1 3.86Å; L88-I101 HydrophobicContact CD2-CG2 4.29Å; L88-I101 HydrophobicContact CG-CB 4.42Å; L88-T102 WeakPolarHBondContact CA-O 3.33Å; L88-I103 HydrophobicContact CD1-CG1 4.28Å; L88-I103 HydrophobicContact CG-CG1 4.42Å
89N96.7Very high92.6Very high97 Ų9764 Ų6452%0.51937%0.374SS..EExtended strand (participates in β ladder)trans-96.9120.9167.7-59.1-58.3000109T102N89-T102 PolarHBondContact N-O 2.94Å; N89-T102 PolarHBondContact O-N 2.89Å
90A93.9Very high92.7Very high38 Ų3861.6 Ų61.631%0.31436%0.36SS..PPolyproline II helixtrans-73.3159.5-179.700000112.3Y71Y71-A90 HydrophobicContact CD2-CB 4.37Å; Y71-A90 HydrophobicContact CE2-CB 3.47Å; Y71-A90 VanDerWaalsContact CE2-CB 3.47Å
91P90.7Very high92.7Very high12 Ų1259.1 Ų59.18%0.07835%0.347CS..PPolyproline II helixtrans-64.9144.9168-9.626.3000110.7I55 Y71 Y93 S100 I101I55-P91 HydrophobicContact CD1-CG 4.47Å; Y71-P91 HydrophobicContact CE1-CG 4.39Å; Y71-P91 WeakPolarHBondContact OH-CD 3.49Å; P91-Y93 PolarHBondContact O-N 2.81Å; P91-S100 WeakPolarHBondContact CG-O 3.38Å; P91-I101 HydrophobicContact CG-CG2 4.21Å
92T87.9Confident92.7Very high129 Ų12960 Ų6079%0.79135%0.352SS*.PPolyproline II helixtrans-69.5123.4178.6-49.80000112P94 A95T92-P94 CarbonylContact O-C 3.57Å; T92-A95 PolarHBondContact O-N 3.02Å
93Y83.3Confident92.8Very high100 Ų10051.8 Ų51.839%0.39232%0.316SS..SBendtrans-80.3141.2170.8-176.6-94.7000112S51 G76 P91S51-Y93 PolarHBondContact O-OH 2.92Å; G76-Y93 VanDerWaalsContact CA-CD2 3.41Å; G76-Y93 VanDerWaalsContact N-CE2 3.34Å; P91-Y93 PolarHBondContact O-N 2.81Å
94P79.2Confident93Very high75 Ų7549.7 Ų49.749%0.48730%0.303SS..SBendcis-73.9129-4.730.6-34.2000112.2T92 T96T92-P94 CarbonylContact O-C 3.57Å; P94-T96 PolarHBondContact O-N 2.96Å
95A80.1Confident93Very high5 Ų553.6 Ų53.64%0.04132%0.324CS..PPolyproline II helixtrans-70.8116.8174.900000109.5F43 T50 I53 I55 T92F43-A95 HydrophobicContact CE1-CB 4.36Å; F43-A95 HydrophobicContact CZ-CB 4.34Å; T50-A95 VanDerWaalsContact CB-O 3.28Å; T50-A95 WeakPolarHBondContact CB-O 3.41Å; T50-A95 PolarHBondContact OG1-O 3.07Å; I53-A95 HydrophobicContact CG2-CB 4.2Å; I55-A95 HydrophobicContact CD1-CB 3.56Å; T92-A95 PolarHBondContact O-N 3.02Å
96T83.4Confident93.1Very high95 Ų9548 Ų4858%0.58330%0.298SS*.SBendtrans-100.9-35.5-179.450.30000112.8F43 P94F43-T96 WeakPolarHBondContact CE2-O 3.11Å; F43-T96 VanDerWaalsContact CZ-C 3.49Å; P94-T96 PolarHBondContact O-N 2.96Å
97S91.4Very high93.1Very high63 Ų6347 Ų4744%0.44127%0.27SS..SBendtrans-155.10.3177.160.50000114.5T42 F43T42-S97 CarbonylContact C-O 3.56Å; T42-S97 VanDerWaalsContact CA-O 3.22Å; T42-S97 WeakPolarHBondContact CA-O 3.46Å; T42-S97 VanDerWaalsContact CB-O 3.32Å; T42-S97 WeakPolarHBondContact CB-O 3.16Å; F43-S97 VanDerWaalsContact CE1-C 3.47Å; F43-S97 PolarHBondContact N-O 3.27Å
98N94.5Very high92.9Very high79 Ų7948.7 Ų48.742%0.42228%0.284SS..BIsolated β-bridgetrans-122.4124.5-173.2-169.6-4.1000110.3C41 S100C41-N98 PolarHBondContact O-OD1 3.46Å; N98-S100 WeakPolarHBondContact OD1-CB 3.46Å; N98-S100 PolarHBondContact OD1-N 2.91Å; N98-S100 PolarHBondContact OD1-OG 2.89Å
99A96.2Very high92.7Very high0 Ų052.6 Ų52.60%031%0.311CS..  trans-122.915.4176.700000111.6C41 F43 I55 W57 V118C41-A99 HydrophobicContact CB-CB 4.34Å; C41-A99 CarbonylContact O-C 3.57Å; C41-A99 PolarHBondContact O-N 2.8Å; F43-A99 HydrophobicContact CD1-CB 4.06Å; F43-A99 HydrophobicContact CE1-CB 4.27Å; I55-A99 HydrophobicContact CD1-CB 3.84Å; I55-A99 HydrophobicContact CG1-CB 4.09Å; I55-A99 HydrophobicContact CG2-CB 3.87Å; W57-A99 PolarHBondContact NE1-O 2.95Å; A99-V118 HydrophobicContact CB-CG2 3.84Å
100S97.6Very high92.7Very high18 Ų1848.2 Ų48.213%0.12629%0.288CS..  trans-67.4139.5-178.1-49.50000111.7L39 Q40 C41 P91 N98L39-S100 VanDerWaalsContact O-CA 3.3Å; L39-S100 WeakPolarHBondContact O-CA 3.23Å; L39-S100 WeakPolarHBondContact O-CB 3.33Å; Q40-S100 WeakPolarHBondContact CA-OG 3.36Å; C41-S100 PolarHBondContact N-OG 2.93Å; C41-S100 PolarHBondContact O-N 3.1Å; C41-S100 VanDerWaalsContact O-N 3.13Å; C41-S100 PolarHBondContact O-OG 3.41Å; C41-S100 VanDerWaalsContact O-OG 3.12Å; P91-S100 WeakPolarHBondContact CG-O 3.38Å; N98-S100 WeakPolarHBondContact OD1-CB 3.46Å; N98-S100 PolarHBondContact OD1-N 2.91Å; N98-S100 PolarHBondContact OD1-OG 2.89Å
101I97.9Very high92.9Very high0 Ų047.2 Ų47.20%028%0.28CS..EExtended strand (participates in β ladder)trans-113148.4171.156.9174.9000110.5L39 W57 V70 L88 P91 I103L39-I101 HydrophobicContact CB-CG1 4.02Å; L39-I101 HydrophobicContact CD1-CD1 4.2Å; L39-I101 HydrophobicContact CD1-CG1 4.22Å; L39-I101 HydrophobicContact CG-CG1 4.43Å; L39-I101 PolarHBondContact N-O 3.28Å; L39-I101 PolarHBondContact O-N 3.36Å; W57-I101 HydrophobicContact CB-CD1 4.09Å; W57-I101 HydrophobicContact CD2-CD1 3.63Å; W57-I101 HydrophobicContact CD2-CG1 3.95Å; W57-I101 HydrophobicContact CE3-CD1 4.09Å; W57-I101 HydrophobicContact CE3-CG1 4.46Å; W57-I101 HydrophobicContact CG-CD1 3.65Å; W57-I101 HydrophobicContact CG-CG1 4.27Å; W57-I101 HydrophobicContact CH2-CG1 4.45Å; W57-I101 HydrophobicContact CZ2-CG1 3.95Å; V70-I101 HydrophobicContact CG1-CD1 4.1Å; L88-I101 HydrophobicContact CD1-CD1 3.86Å; L88-I101 HydrophobicContact CD2-CG2 4.29Å; L88-I101 HydrophobicContact CG-CB 4.42Å; P91-I101 HydrophobicContact CG-CG2 4.21Å; I101-I103 HydrophobicContact CD1-CD1 4.04Å; I101-I103 HydrophobicContact CD1-CG1 4.19Å; I101-I103 HydrophobicContact CG1-CG1 4.49Å
102T98.4Very high93.2Very high45 Ų4546.9 Ų46.928%0.27628%0.278SS..EExtended strand (participates in β ladder)trans-110.7123.5168.1-58.20000108.8A37 L38 L88 N89A37-T102 CarbonylContact O-C 3.48Å; A37-T102 VanDerWaalsContact O-CA 3.27Å; A37-T102 WeakPolarHBondContact O-CA 3.3Å; L38-T102 WeakPolarHBondContact CD1-OG1 3.27Å; L88-T102 WeakPolarHBondContact CA-O 3.33Å; N89-T102 PolarHBondContact N-O 2.94Å; N89-T102 PolarHBondContact O-N 2.89Å
103I98.5Very high93.7Very high0 Ų041.9 Ų41.90%025%0.25CS..EExtended strand (participates in β ladder)trans-108.7118176.3-51.2176.9000107.8S36 A37 L39 V70 Y84 L88 I101 M106 Y114S36-I103 CarbonylContact C-O 3.47Å; S36-I103 VanDerWaalsContact CA-O 3.3Å; S36-I103 WeakPolarHBondContact CA-O 3.21Å; A37-I103 PolarHBondContact N-O 3Å; A37-I103 PolarHBondContact O-N 2.91Å; L39-I103 HydrophobicContact CD1-CD1 3.92Å; V70-I103 HydrophobicContact CG1-CD1 4.48Å; Y84-I103 HydrophobicContact CD1-CD1 4.15Å; Y84-I103 HydrophobicContact CD1-CG2 4.09Å; Y84-I103 HydrophobicContact CE1-CD1 4Å; Y84-I103 HydrophobicContact CE1-CG2 4.45Å; L88-I103 HydrophobicContact CD1-CG1 4.28Å; L88-I103 HydrophobicContact CG-CG1 4.42Å; I101-I103 HydrophobicContact CD1-CD1 4.04Å; I101-I103 HydrophobicContact CD1-CG1 4.19Å; I101-I103 HydrophobicContact CG1-CG1 4.49Å; I103-M106 HydrophobicContact CB-SD 3.53Å; I103-M106 VanDerWaalsContact CB-SD 3.53Å; I103-M106 HydrophobicContact CG2-SD 3.44Å; I103-M106 WeakPolarHBondContact CG2-SD 3.29Å; I103-Y114 HydrophobicContact CD1-CD1 4.44Å; I103-Y114 HydrophobicContact CD1-CE1 3.8Å
104S98.4Very high94.5Very high34 Ų3437.1 Ų37.124%0.23823%0.232CC..  trans-90162.5177.468.40000112.3S36 R87 M106S36-S104 WeakPolarHBondContact OG-CA 3.28Å; S36-S104 WeakPolarHBondContact OG-CB 3.35Å; R87-S104 WeakPolarHBondContact CA-OG 3.48Å; R87-S104 WeakPolarHBondContact CB-OG 3.44Å; R87-S104 PolarHBondContact O-N 2.85Å; R87-S104 PolarHBondContact O-OG 3.25Å; S104-M106 PolarHBondContact O-N 2.8Å
105N97.7Very high95.4Very high86 Ų8634.6 Ų34.646%0.4622%0.215SC..SBendtrans5151179-171.637.9000112.8E35 Q107E35-N105 PolarHBondContact O-N 2.83Å; N105-Q107 PolarHBondContact ND2-NE2 2.69Å; N105-Q107 PolarHBondContact O-N 2.93Å; N105-Q107 PolarHBondContact O-NE2 2.63Å; N105-Q107 PolarHBondContact OD1-NE2 3.33Å
106M97.8Very high96.2Very high0 Ų034.3 Ų34.30%021%0.213CC..  trans-60.5124.9-176.7-67.1-67-67.300111.5V31 N33 G34 E35 A37 I103 S104 D110 V134 I136V31-M106 HydrophobicContact CG1-CB 4.26Å; V31-M106 HydrophobicContact CG1-CG 4.12Å; N33-M106 PolarHBondContact OD1-O 2.99Å; G34-M106 PolarHBondContact N-O 3.38Å; E35-M106 WeakPolarHBondContact O-CB 3.19Å; E35-M106 WeakPolarHBondContact O-CG 3.41Å; E35-M106 PolarHBondContact O-N 2.84Å; A37-M106 HydrophobicContact CB-CE 3.93Å; A37-M106 HydrophobicContact CB-CG 3.82Å; A37-M106 HydrophobicContact CB-SD 3.76Å; I103-M106 HydrophobicContact CB-SD 3.53Å; I103-M106 VanDerWaalsContact CB-SD 3.53Å; I103-M106 HydrophobicContact CG2-SD 3.44Å; I103-M106 WeakPolarHBondContact CG2-SD 3.29Å; S104-M106 PolarHBondContact O-N 2.8Å; M106-D110 HydrophobicContact CE-CB 3.68Å; M106-D110 HydrophobicContact SD-CB 4.48Å; M106-V134 HydrophobicContact CE-CG1 3.82Å; M106-I136 HydrophobicContact CB-CD1 3.83Å; M106-I136 HydrophobicContact CE-CD1 3.84Å
107Q95.8Very high96.9Very high69 Ų6931.8 Ų31.832%0.32219%0.194SC..  trans-103.4159.2-178.8-59.7-55.6-60.900111.2N105 S109 D110 I136N105-Q107 PolarHBondContact ND2-NE2 2.69Å; N105-Q107 PolarHBondContact O-N 2.93Å; N105-Q107 PolarHBondContact O-NE2 2.63Å; N105-Q107 PolarHBondContact OD1-NE2 3.33Å; Q107-S109 PolarHBondContact O-N 2.75Å; Q107-D110 PolarHBondContact N-OD2 2.84Å; Q107-D110 WeakPolarHBondContact O-CA 3.09Å; Q107-D110 VanDerWaalsContact O-CB 3.25Å; Q107-D110 WeakPolarHBondContact O-CB 3.22Å; Q107-D110 PolarHBondContact O-N 2.06Å; Q107-I136 WeakPolarHBondContact O-CG1 2.98Å
108V94.1Very high97.1Very high69 Ų6928.8 Ų28.842%0.41817%0.173SC..G310 helixtrans-53.9-31.7176.7-1790000112.8D110 A111 I136 E138V108-D110 PolarHBondContact O-N 3.23Å; V108-A111 WeakPolarHBondContact O-CB 3.46Å; V108-A111 PolarHBondContact O-N 2.73Å; V108-I136 HydrophobicContact CG2-CG2 4.2Å; V108-E138 WeakPolarHBondContact CG2-OE2 3.42Å
109S94.3Very high97Very high90 Ų9026.9 Ų26.963%0.62916%0.162SC*.G310 helixtrans-65.7-20.7174.652.80000114.7Q107 A111Q107-S109 PolarHBondContact O-N 2.75Å; S109-A111 VanDerWaalsContact C-N 3.25Å; S109-A111 PolarHBondContact O-N 3.08Å
110D96.6Very high96.8Very high6 Ų627 Ų273%0.03216%0.162CC..G310 helixtrans-81-3177.8-60.8-39.8000112.6F59 R87 M106 Q107 V108 G112 Y114F59-D110 WeakPolarHBondContact CE2-O 3.38Å; R87-D110 IonicContact CZ-OD1 2.84Å; R87-D110 IonicContact CZ-OD2 3.74Å; R87-D110 IonicContact NH1-OD1 2.75Å; R87-D110 IonicContact NH1-OD2 3.37Å; R87-D110 PolarHBondContact NH1-OD2 2.81Å; R87-D110 IonicContact NH2-OD1 3.6Å; R87-D110 PolarHBondContact NH2-OD1 3.43Å; R87-D110 IonicContact NH2-OD2 3.44Å; R87-D110 PolarHBondContact NH2-OD2 2.77Å; M106-D110 HydrophobicContact CE-CB 3.68Å; M106-D110 HydrophobicContact SD-CB 4.48Å; Q107-D110 PolarHBondContact N-OD2 2.84Å; Q107-D110 WeakPolarHBondContact O-CA 3.09Å; Q107-D110 VanDerWaalsContact O-CB 3.25Å; Q107-D110 WeakPolarHBondContact O-CB 3.22Å; Q107-D110 PolarHBondContact O-N 2.06Å; V108-D110 PolarHBondContact O-N 3.23Å; D110-G112 PolarHBondContact O-N 3.27Å; D110-Y114 WeakPolarHBondContact CB-OH 3.1Å; D110-Y114 WeakPolarHBondContact O-CE2 3.12Å; D110-Y114 PolarHBondContact O-OH 3.48Å
111A97.1Very high96.3Very high16 Ų1632.5 Ų32.513%0.13218%0.184CC..  trans-70.7124.4177.100000111.5K62 V108 S109 V134 I136K62-A111 WeakPolarHBondContact CB-O 3.31Å; K62-A111 PolarHBondContact N-O 2.83Å; V108-A111 WeakPolarHBondContact O-CB 3.46Å; V108-A111 PolarHBondContact O-N 2.73Å; S109-A111 VanDerWaalsContact C-N 3.25Å; S109-A111 PolarHBondContact O-N 3.08Å; A111-V134 WeakPolarHBondContact CA-O 3.35Å; A111-I136 HydrophobicContact CB-CB 4.33Å; A111-I136 HydrophobicContact CB-CG1 3.95Å
112G97.7Very high95.7Very high5 Ų535.9 Ų35.95%0.05221%0.206CC..EExtended strand (participates in β ladder)trans163.2-165.6-17600000113.6V60 D110 V134V60-G112 CarbonylContact O-C 3.53Å; V60-G112 VanDerWaalsContact O-CA 3.29Å; V60-G112 WeakPolarHBondContact O-CA 3.42Å; D110-G112 PolarHBondContact O-N 3.27Å; G112-V134 PolarHBondContact N-O 2.89Å; G112-V134 PolarHBondContact O-N 2.81Å
113A98.4Very high94.8Very high25 Ų2533.7 Ų33.721%0.20719%0.193CC..EExtended strand (participates in β ladder)trans-93.8124.5177.300000110.2F59 V60 T131 I132 I133F59-A113 CarbonylContact C-O 3.52Å; F59-A113 VanDerWaalsContact CA-O 3.31Å; F59-A113 WeakPolarHBondContact CA-O 3.38Å; V60-A113 PolarHBondContact N-O 3.28Å; V60-A113 PolarHBondContact O-N 2.85Å; A113-T131 HydrophobicContact CB-CG2 3.82Å; A113-I132 WeakPolarHBondContact CA-O 3.23Å; A113-I133 HydrophobicContact CB-CD1 3.69Å
114Y98.6Very high93.6Very high0 Ų036.4 Ų36.40%021%0.209CC..EExtended strand (participates in β ladder)trans-107.3121.4171.9-71.1-100000109.1L39 S58 F59 V70 Y84 I103 D110 T131 I132 V134L39-Y114 HydrophobicContact CD1-CD1 3.65Å; L39-Y114 HydrophobicContact CD1-CD2 4.17Å; L39-Y114 HydrophobicContact CD1-CE1 4.19Å; L39-Y114 HydrophobicContact CD1-CG 3.65Å; S58-Y114 CarbonylContact O-C 3.54Å; S58-Y114 VanDerWaalsContact O-CA 3.3Å; S58-Y114 WeakPolarHBondContact O-CA 3.31Å; F59-Y114 HydrophobicContact CB-CD1 4.2Å; F59-Y114 HydrophobicContact CB-CE1 4.07Å; F59-Y114 HydrophobicContact CD2-CD1 4.09Å; F59-Y114 AromaticContact CD2-CD2 3.82Å; F59-Y114 HydrophobicContact CD2-CD2 3.82Å; F59-Y114 AromaticContact CD2-CE1 3.71Å; F59-Y114 HydrophobicContact CD2-CE1 3.71Å; F59-Y114 AromaticContact CD2-CE2 3.41Å; F59-Y114 HydrophobicContact CD2-CE2 3.41Å; F59-Y114 VanDerWaalsContact CD2-CE2 3.41Å; F59-Y114 HydrophobicContact CD2-CG 4.14Å; F59-Y114 AromaticContact CD2-CZ 3.33Å; F59-Y114 HydrophobicContact CE2-CD2 4.22Å; F59-Y114 HydrophobicContact CE2-CE1 4.39Å; F59-Y114 AromaticContact CE2-CE2 3.49Å; F59-Y114 HydrophobicContact CE2-CE2 3.49Å; F59-Y114 VanDerWaalsContact CE2-CE2 3.49Å; F59-Y114 AromaticContact CE2-CZ 3.58Å; F59-Y114 HydrophobicContact CG-CE1 4.09Å; V70-Y114 HydrophobicContact CG2-CD1 4.15Å; V70-Y114 HydrophobicContact CG2-CE1 4.06Å; Y84-Y114 HydrophobicContact CE1-CE1 4.35Å; Y84-Y114 PolarHBondContact OH-OH 2.84Å; I103-Y114 HydrophobicContact CD1-CD1 4.44Å; I103-Y114 HydrophobicContact CD1-CE1 3.8Å; D110-Y114 WeakPolarHBondContact CB-OH 3.1Å; D110-Y114 WeakPolarHBondContact O-CE2 3.12Å; D110-Y114 PolarHBondContact O-OH 3.48Å; Y114-T131 CarbonylContact O-C 3.53Å; Y114-T131 WeakPolarHBondContact O-CA 3.26Å; Y114-I132 PolarHBondContact N-O 3.35Å; Y114-I132 PolarHBondContact O-N 2.88Å; Y114-V134 HydrophobicContact CD2-CB 3.97Å; Y114-V134 HydrophobicContact CD2-CG2 3.45Å; Y114-V134 VanDerWaalsContact CD2-CG2 3.45Å; Y114-V134 HydrophobicContact CE2-CB 3.86Å; Y114-V134 HydrophobicContact CE2-CG1 4.48Å; Y114-V134 HydrophobicContact CE2-CG2 3.72Å; Y114-V134 HydrophobicContact CG-CG2 4.41Å
115T98.5Very high92.7Very high21 Ų2139.7 Ų39.713%0.12922%0.224CC..EExtended strand (participates in β ladder)trans-106.7119.4177.3-63.10000109.5W57 S58 E129 A130 T131W57-T115 WeakPolarHBondContact CA-O 3.32Å; S58-T115 PolarHBondContact N-O 3.33Å; S58-T115 PolarHBondContact O-N 3.44Å; T115-E129 HydrophobicContact CG2-CB 3.98Å; T115-A130 WeakPolarHBondContact CA-O 3.41Å; T115-T131 PolarHBondContact OG1-OG1 3.18Å
116C98.2Very high92.2Very high0 Ų038.2 Ų38.20%023%0.229CC..EExtended strand (participates in β ladder)trans-86.8126.6168.3-178.50000108.8C41 W57 E129 A130C41-C116 HydrophobicContact CB-CB 3.67Å; C41-C116 WeakPolarHBondContact CB-SG 3.47Å; C41-C116 WeakPolarHBondContact SG-CB 3.28Å; C41-C116 CovalentContact SG-SG 2.03Å; C41-C116 PolarHBondContact SG-SG 3.37Å; W57-C116 HydrophobicContact CD2-CB 3.95Å; W57-C116 HydrophobicContact CE3-CB 3.96Å; W57-C116 HydrophobicContact CH2-CB 3.67Å; W57-C116 HydrophobicContact CZ2-CB 3.63Å; W57-C116 HydrophobicContact CZ3-CB 3.82Å; C116-E129 CarbonylContact O-C 3.5Å; C116-E129 WeakPolarHBondContact O-CA 3.48Å; C116-A130 PolarHBondContact N-O 3.02Å; C116-A130 PolarHBondContact O-N 3.17Å
117E97.1Very high92Very high42 Ų4243 Ų4320%0.19625%0.25CC..EExtended strand (participates in β ladder)trans-126.8132.8178.9-178-177.9-172.300109Q56 H119 T128 E129Q56-E117 HydrophobicContact CB-CB 4.29Å; Q56-E117 PolarHBondContact N-O 3.47Å; Q56-E117 PolarHBondContact NE2-OE2 2.03Å; Q56-E117 PolarHBondContact O-N 3.5Å; E117-H119 WeakPolarHBondContact CG-NE2 3.12Å; E117-H119 IonicContact OE1-CD2 3.77Å; E117-H119 IonicContact OE1-CE1 3.62Å; E117-H119 IonicContact OE1-NE2 2.74Å; E117-H119 PolarHBondContact OE1-NE2 3.44Å; E117-T128 CarbonylContact C-O 3.57Å; E117-T128 WeakPolarHBondContact CA-O 3.26Å; E117-E129 HydrophobicContact CB-CB 4.32Å; E117-E129 HydrophobicContact CG-CB 4.45Å
118V95.4Very high91.9Very high0 Ų041 Ų410%024%0.243CC..EExtended strand (participates in β ladder)trans-136.5131.4-177.3-169.40000110.1I20 V22 F43 I53 I54 I55 A99 T128I20-V118 HydrophobicContact CD1-CB 4.14Å; I20-V118 HydrophobicContact CD1-CG1 3.81Å; V22-V118 HydrophobicContact CG2-CB 3.72Å; V22-V118 HydrophobicContact CG2-CG2 3.81Å; F43-V118 HydrophobicContact CB-CB 4.49Å; F43-V118 HydrophobicContact CB-CG1 4.4Å; F43-V118 HydrophobicContact CB-CG2 4.47Å; F43-V118 HydrophobicContact CD1-CG1 3.91Å; F43-V118 HydrophobicContact CD1-CG2 4.17Å; F43-V118 HydrophobicContact CD2-CG1 4.33Å; F43-V118 HydrophobicContact CE1-CG1 4.29Å; F43-V118 HydrophobicContact CG-CG1 3.94Å; I53-V118 HydrophobicContact CD1-CG1 3.66Å; I53-V118 HydrophobicContact CG1-CG1 3.85Å; I54-V118 WeakPolarHBondContact O-CA 3.32Å; I55-V118 HydrophobicContact CG1-CG1 4.22Å; I55-V118 HydrophobicContact CG1-CG2 4.44Å; A99-V118 HydrophobicContact CB-CG2 3.84Å; V118-T128 PolarHBondContact N-O 2.84Å
119H93.3Very high92Very high38 Ų3842.5 Ų42.518%0.17625%0.245CC..EExtended strand (participates in β ladder)trans-127.9133.7175.9-62.8-80.5000110.6I53 I54 E117 F121I53-H119 WeakPolarHBondContact CG1-O 3.27Å; I54-H119 HydrophobicContact CB-CB 4.37Å; I54-H119 PolarHBondContact N-O 3.28Å; I54-H119 PolarHBondContact O-N 2.85Å; E117-H119 WeakPolarHBondContact CG-NE2 3.12Å; E117-H119 IonicContact OE1-CD2 3.77Å; E117-H119 IonicContact OE1-CE1 3.62Å; E117-H119 IonicContact OE1-NE2 2.74Å; E117-H119 PolarHBondContact OE1-NE2 3.44Å; H119-F121 HydrophobicContact CB-CE2 4.49Å
120N90.7Very high92.2Very high3 Ų338.5 Ų38.52%0.01622%0.218CC..BIsolated β-bridgetrans-13374.7177.6-169.237.6000111.1I20 T45 V47 N49 I53 D123I20-N120 HydrophobicContact CD1-CB 4.08Å; T45-N120 PolarHBondContact OG1-ND2 3.2Å; V47-N120 PolarHBondContact O-ND2 2.82Å; N49-N120 PolarHBondContact O-ND2 2.82Å; N49-N120 PolarHBondContact O-OD1 3.08Å; I53-N120 HydrophobicContact CG1-CB 4.21Å; N120-D123 PolarHBondContact N-O 3.02Å; N120-D123 WeakPolarHBondContact O-CA 3.41Å; N120-D123 VanDerWaalsContact O-CB 3.3Å; N120-D123 WeakPolarHBondContact O-CB 3.34Å; N120-D123 PolarHBondContact O-N 3.07Å
121F88.2Confident92.3Very high134 Ų13441 Ų4159%0.58823%0.233SC*.THydrogen-bonded Turntrans-48.6133.4-172.2-73.6-83.6000113.5I54 H119 V124I54-F121 HydrophobicContact CD1-CE2 4.02Å; H119-F121 HydrophobicContact CB-CE2 4.49Å; F121-V124 HydrophobicContact CD1-CG1 3.62Å; F121-V124 HydrophobicContact CE1-CG1 3.48Å; F121-V124 VanDerWaalsContact CE1-CG1 3.48Å; F121-V124 HydrophobicContact CG-CG1 4.27Å; F121-V124 HydrophobicContact CZ-CG1 4.01Å
122P84.7Confident92.4Very high70 Ų7040.4 Ų40.446%0.45523%0.227SC..THydrogen-bonded Turncis-81.43.44.833-39.4000116.9V47 V124V47-P122 HydrophobicContact CG2-CG 4.07Å; P122-V124 PolarHBondContact O-N 2.8Å
123D80.8Confident92.4Very high0 Ų043 Ų430%024%0.24CC..BIsolated β-bridgetrans-72.288175.4-68.4-4.5000111.2H18 L19 I20 T45 T46 V47 N120H18-D123 WeakPolarHBondContact CA-OD1 3.28Å; H18-D123 WeakPolarHBondContact CB-OD1 3.26Å; H18-D123 IonicContact CD2-OD1 3.28Å; H18-D123 PolarHBondContact CD2-OD1 3.06Å; H18-D123 VanDerWaalsContact CD2-OD1 3.28Å; H18-D123 IonicContact CG-OD1 3.52Å; L19-D123 PolarHBondContact N-OD1 2.85Å; I20-D123 HydrophobicContact CB-CB 4.09Å; I20-D123 WeakPolarHBondContact CG2-O 3.34Å; T45-D123 PolarHBondContact OG1-OD2 2.82Å; T46-D123 WeakPolarHBondContact CA-OD2 3.44Å; T46-D123 PolarHBondContact N-OD2 2.88Å; T46-D123 VanDerWaalsContact OG1-CG 3.22Å; T46-D123 PolarHBondContact OG1-OD1 2.86Å; T46-D123 PolarHBondContact OG1-OD2 2.93Å; V47-D123 HydrophobicContact CG2-CB 4.34Å; V47-D123 VanDerWaalsContact CG2-CG 3.46Å; V47-D123 VanDerWaalsContact CG2-OD1 3.24Å; V47-D123 WeakPolarHBondContact CG2-OD1 3.11Å; V47-D123 PolarHBondContact N-OD2 2.58Å; N120-D123 PolarHBondContact N-O 3.02Å; N120-D123 WeakPolarHBondContact O-CA 3.41Å; N120-D123 VanDerWaalsContact O-CB 3.3Å; N120-D123 WeakPolarHBondContact O-CB 3.34Å; N120-D123 PolarHBondContact O-N 3.07Å
124V71.8Confident92.4Very high57 Ų5741.8 Ų41.835%0.34523%0.23SC..  trans-119.9-6.5170.8-63.10000112.8F121 P122 T128F121-V124 HydrophobicContact CD1-CG1 3.62Å; F121-V124 HydrophobicContact CE1-CG1 3.48Å; F121-V124 VanDerWaalsContact CE1-CG1 3.48Å; F121-V124 HydrophobicContact CG-CG1 4.27Å; F121-V124 HydrophobicContact CZ-CG1 4.01Å; P122-V124 PolarHBondContact O-N 2.8Å; V124-T128 WeakPolarHBondContact O-CG2 3.4Å
125N79.4Confident92.4Very high103 Ų10343.6 Ų43.655%0.55124%0.239SC*.EExtended strand (participates in β ladder)trans-85.8152172.3-59.195000110.2H18 L19 I20H18-N125 WeakPolarHBondContact O-CB 3.43Å; L19-N125 WeakPolarHBondContact CA-O 3.45Å; I20-N125 PolarHBondContact N-O 2.75Å
126G87.1Confident92.3Very high55 Ų5542.9 Ų42.957%0.56724%0.235SC*.EExtended strand (participates in β ladder)trans110.4-139.2177.800000112.3L19L19-G126 VanDerWaalsContact CD1-CA 3.41Å
127K93.4Very high92.3Very high99 Ų9944.5 Ų44.543%0.4324%0.243SC..EExtended strand (participates in β ladder)trans-108.787.9179.7-177.5174.3177.9-106.50108.3I20 T21 V22 E129I20-K127 PolarHBondContact O-N 2.96Å; T21-K127 CarbonylContact C-O 3.56Å; T21-K127 WeakPolarHBondContact CA-O 3.28Å; V22-K127 PolarHBondContact N-O 2.74Å; V22-K127 PolarHBondContact O-NZ 2.94Å; K127-E129 VanDerWaalsContact C-N 3.28Å; K127-E129 VanDerWaalsContact CE-O 3.24Å; K127-E129 WeakPolarHBondContact CE-O 3.47Å; K127-E129 WeakPolarHBondContact CG-O 3.42Å; K127-E129 PolarHBondContact O-N 2.93Å
128T95Very high92.3Very high28 Ų2843.8 Ų43.817%0.17224%0.24CC..  trans-74.7-14.5-178.850.30000113.6I20 V22 E117 V118 V124I20-T128 HydrophobicContact CG2-CG2 3.65Å; V22-T128 VanDerWaalsContact CG2-O 3.26Å; V22-T128 WeakPolarHBondContact CG2-O 3.47Å; E117-T128 CarbonylContact C-O 3.57Å; E117-T128 WeakPolarHBondContact CA-O 3.26Å; V118-T128 PolarHBondContact N-O 2.84Å; V124-T128 WeakPolarHBondContact O-CG2 3.4Å
129E96.8Very high92.4Very high101 Ų10150.9 Ų50.947%0.47227%0.267SS..EExtended strand (participates in β ladder)trans-138.6159.6-175.562.3168.1-158.500114.4T115 C116 E117 K127T115-E129 HydrophobicContact CG2-CB 3.98Å; C116-E129 CarbonylContact O-C 3.5Å; C116-E129 WeakPolarHBondContact O-CA 3.48Å; E117-E129 HydrophobicContact CB-CB 4.32Å; E117-E129 HydrophobicContact CG-CB 4.45Å; K127-E129 VanDerWaalsContact C-N 3.28Å; K127-E129 VanDerWaalsContact CE-O 3.24Å; K127-E129 WeakPolarHBondContact CE-O 3.47Å; K127-E129 WeakPolarHBondContact CG-O 3.42Å; K127-E129 PolarHBondContact O-N 2.93Å
130A98Very high92.6Very high6 Ų649.2 Ų49.25%0.0526%0.259CS..EExtended strand (participates in β ladder)trans-155.4141171.500000112V22 V24 T115 C116V22-A130 HydrophobicContact CG1-CB 3.87Å; V24-A130 HydrophobicContact CB-CB 4.34Å; V24-A130 HydrophobicContact CG1-CB 3.62Å; V24-A130 HydrophobicContact CG2-CB 3.92Å; T115-A130 WeakPolarHBondContact CA-O 3.41Å; C116-A130 PolarHBondContact N-O 3.02Å; C116-A130 PolarHBondContact O-N 3.17Å
131T98.4Very high92.9Very high59 Ų5949.9 Ų49.936%0.36226%0.264SS..EExtended strand (participates in β ladder)trans-109.7138.2-175.1-49.80000112.6A113 Y114 T115 I133A113-T131 HydrophobicContact CB-CG2 3.82Å; Y114-T131 CarbonylContact O-C 3.53Å; Y114-T131 WeakPolarHBondContact O-CA 3.26Å; T115-T131 PolarHBondContact OG1-OG1 3.18Å; T131-I133 HydrophobicContact CG2-CD1 4.34Å
132I98.6Very high93.4Very high2 Ų249 Ų491%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-115.2132.2173.9-55177.3000108.3V24 V29 L39 W57 A113 Y114 V134V24-I132 HydrophobicContact CB-CD1 4.1Å; V24-I132 HydrophobicContact CB-CG1 3.85Å; V24-I132 HydrophobicContact CG1-CD1 3.87Å; V24-I132 HydrophobicContact CG1-CG1 3.77Å; V24-I132 HydrophobicContact CG2-CG1 4.1Å; V29-I132 HydrophobicContact CB-CG2 4.27Å; V29-I132 HydrophobicContact CG2-CG2 3.6Å; L39-I132 HydrophobicContact CB-CD1 4.1Å; W57-I132 HydrophobicContact CH2-CD1 3.89Å; W57-I132 HydrophobicContact CZ3-CD1 4.22Å; A113-I132 WeakPolarHBondContact CA-O 3.23Å; Y114-I132 PolarHBondContact N-O 3.35Å; Y114-I132 PolarHBondContact O-N 2.88Å; I132-V134 HydrophobicContact CG2-CG2 4.33Å
133I98.4Very high94Very high60 Ų6046 Ų4631%0.30825%0.25SS..EExtended strand (participates in β ladder)trans-94.5115.9172.7-54.7-56.1000109K27 F28 V29 A113 T131K27-I133 PolarHBondContact O-N 3.09Å; F28-I133 CarbonylContact C-O 3.59Å; F28-I133 VanDerWaalsContact CA-O 3.29Å; F28-I133 WeakPolarHBondContact CA-O 3.47Å; F28-I133 HydrophobicContact CD1-CB 3.74Å; F28-I133 HydrophobicContact CD1-CG1 4.25Å; F28-I133 HydrophobicContact CD1-CG2 4.09Å; F28-I133 HydrophobicContact CE1-CB 4.03Å; F28-I133 HydrophobicContact CE1-CG1 4.06Å; F28-I133 HydrophobicContact CE1-CG2 4.31Å; V29-I133 PolarHBondContact N-O 2.93Å; A113-I133 HydrophobicContact CB-CD1 3.69Å; T131-I133 HydrophobicContact CG2-CD1 4.34Å
134V98.3Very high94.8Very high0 Ų052.9 Ų52.90%028%0.28CS..EExtended strand (participates in β ladder)trans-98.2122178.2178.90000109.6V29 L39 M106 A111 G112 Y114 I132 I136V29-V134 CarbonylContact O-C 3.5Å; V29-V134 WeakPolarHBondContact O-CA 3.47Å; L39-V134 HydrophobicContact CD2-CG2 3.58Å; M106-V134 HydrophobicContact CE-CG1 3.82Å; A111-V134 WeakPolarHBondContact CA-O 3.35Å; G112-V134 PolarHBondContact N-O 2.89Å; G112-V134 PolarHBondContact O-N 2.81Å; Y114-V134 HydrophobicContact CD2-CB 3.97Å; Y114-V134 HydrophobicContact CD2-CG2 3.45Å; Y114-V134 VanDerWaalsContact CD2-CG2 3.45Å; Y114-V134 HydrophobicContact CE2-CB 3.86Å; Y114-V134 HydrophobicContact CE2-CG1 4.48Å; Y114-V134 HydrophobicContact CE2-CG2 3.72Å; Y114-V134 HydrophobicContact CG-CG2 4.41Å; I132-V134 HydrophobicContact CG2-CG2 4.33Å; V134-I136 HydrophobicContact CG1-CD1 3.94Å
135N97.4Very high96.1Very high38 Ų3851 Ų5120%0.20327%0.269CS..EExtended strand (participates in β ladder)trans-105.9132.1169.8-57.9-69.9000109.7V29 N30 V31 L137V29-N135 PolarHBondContact O-N 3.04Å; N30-N135 WeakPolarHBondContact CA-O 3.31Å; N30-N135 WeakPolarHBondContact OD1-CB 3.32Å; N30-N135 PolarHBondContact OD1-ND2 3.15Å; V31-N135 PolarHBondContact N-O 3.13Å; N135-L137 HydrophobicContact CB-CD2 4.47Å
136I97.7Very high96.8Very high5 Ų546.8 Ų46.83%0.02625%0.249CC..EExtended strand (participates in β ladder)trans-97.8127.3173-55.7-59.4000108.8V31 N33 M106 Q107 V108 A111 V134 S167V31-I136 HydrophobicContact CB-CD1 4.17Å; V31-I136 CarbonylContact O-C 3.48Å; V31-I136 WeakPolarHBondContact O-CA 3.42Å; N33-I136 HydrophobicContact CB-CG2 3.92Å; M106-I136 HydrophobicContact CB-CD1 3.83Å; M106-I136 HydrophobicContact CE-CD1 3.84Å; Q107-I136 WeakPolarHBondContact O-CG1 2.98Å; V108-I136 HydrophobicContact CG2-CG2 4.2Å; A111-I136 HydrophobicContact CB-CB 4.33Å; A111-I136 HydrophobicContact CB-CG1 3.95Å; V134-I136 HydrophobicContact CG1-CD1 3.94Å; I136-S167 VanDerWaalsContact O-CB 3.29Å; I136-S167 WeakPolarHBondContact O-CB 3.36Å; I136-S167 PolarHBondContact O-OG 3.06Å
137L97.8Very high97.1Very high35 Ų3546.5 Ų46.518%0.18324%0.236CC..EExtended strand (participates in β ladder)trans-103.2138.4180-47.9-172.3000109.2N30 V31 T32 N33 N135 S167 V218N30-L137 HydrophobicContact CB-CD1 4.09Å; N30-L137 HydrophobicContact CB-CG 4.35Å; V31-L137 PolarHBondContact O-N 2.89Å; T32-L137 CarbonylContact C-O 3.58Å; T32-L137 WeakPolarHBondContact CA-O 3.44Å; N33-L137 PolarHBondContact N-O 3.44Å; N135-L137 HydrophobicContact CB-CD2 4.47Å; L137-S167 CarbonylContact C-O 3.44Å; L137-S167 VanDerWaalsContact CA-O 3.25Å; L137-S167 WeakPolarHBondContact CA-O 3.29Å; L137-V218 HydrophobicContact CB-CG2 3.58Å; L137-V218 HydrophobicContact CD1-CG2 4.45Å
138E97.2Very high97Very high27 Ų2747 Ų4713%0.12624%0.24CC..BIsolated β-bridgetrans-144.8144.9175.456.2170.7-166.900110.1N33 V108 R165 G166 S167 N216N33-E138 HydrophobicContact CB-CB 4.11Å; V108-E138 WeakPolarHBondContact CG2-OE2 3.42Å; E138-R165 WeakPolarHBondContact OE1-CB 2.93Å; E138-G166 PolarHBondContact OE1-N 3.46Å; E138-S167 PolarHBondContact N-O 3.19Å; E138-S167 PolarHBondContact O-N 3.47Å; E138-S167 VanDerWaalsContact O-O 3.07Å; E138-N216 PolarHBondContact O-ND2 3.36Å
139R97.3Very high96.5Very high148 Ų14848.3 Ų48.356%0.55826%0.258SS*.PPolyproline II helixtrans-62.4155.7173.977.6-175-60.6145.7-0.5110.3S141 V218 S220R139-S141 PolarHBondContact O-N 3.5Å; R139-V218 HydrophobicContact CB-CB 4.39Å; R139-V218 HydrophobicContact CB-CG1 4.22Å; R139-S220 PolarHBondContact NH2-O 3.03Å
140P98.1Very high95.4Very high3 Ų347.8 Ų47.82%0.01926%0.259CS..PPolyproline II helixtrans-56.5138172.3-19.732.1000110.6R165 P170 A214 N216 G219 A221P140-R165 VanDerWaalsContact CA-O 3.32Å; P140-R165 WeakPolarHBondContact CA-O 3.32Å; P140-P170 HydrophobicContact CB-CB 4.19Å; P140-P170 HydrophobicContact CB-CG 3.82Å; P140-P170 HydrophobicContact CG-CB 3.96Å; P140-P170 HydrophobicContact CG-CG 3.85Å; P140-A214 HydrophobicContact CB-CB 3.9Å; P140-A214 HydrophobicContact CG-CB 4.4Å; P140-N216 HydrophobicContact CG-CB 4.47Å; P140-G219 WeakPolarHBondContact CD-O 3.44Å; P140-A221 HydrophobicContact CB-CB 4.47Å; P140-A221 WeakPolarHBondContact O-CB 3.31Å
141S97.6Very high94.3Very high17 Ų1748.4 Ų48.412%0.11926%0.262CS..PPolyproline II helixtrans-62.6160.5166.258.20000110.2R139 P143 S163 E164 R165 A221R139-S141 PolarHBondContact O-N 3.5Å; S141-P143 VanDerWaalsContact O-CD 3.26Å; S141-P143 WeakPolarHBondContact O-CD 3.22Å; S141-S163 PolarHBondContact O-OG 3.32Å; S141-E164 PolarHBondContact OG-N 2.91Å; S141-E164 VanDerWaalsContact OG-N 3.17Å; S141-R165 PolarHBondContact N-O 3.04Å; S141-R165 PolarHBondContact OG-N 3Å; S141-A221 WeakPolarHBondContact O-CB 3.3Å
142V98.1Very high92.9Very high116 Ų11652.9 Ų52.970%0.70328%0.279SS*.PPolyproline II helixtrans-50.6119.1167.8-179.10000108.2
143P97.9Very high91.3Very high7 Ų755.2 Ų55.25%0.04530%0.296CS..PPolyproline II helixtrans-72.7153.2-177.622.3-26.1000111.3S141 H162 A214 C223S141-P143 VanDerWaalsContact O-CD 3.26Å; S141-P143 WeakPolarHBondContact O-CD 3.22Å; P143-H162 CarbonylContact C-O 3.42Å; P143-H162 VanDerWaalsContact CA-O 3.22Å; P143-H162 WeakPolarHBondContact CA-O 3.42Å; P143-A214 HydrophobicContact CB-CB 4.43Å; P143-A214 HydrophobicContact CG-CB 4.18Å; P143-C223 HydrophobicContact CG-CB 4.03Å; P143-C223 VanDerWaalsContact CG-SG 3.57Å; P143-C223 VanDerWaalsContact O-CB 3.23Å; P143-C223 WeakPolarHBondContact O-CB 3.1Å; P143-C223 PolarHBondContact O-SG 3.2Å
144F97.6Very high89.7Confident145 Ų14552.8 Ų52.864%0.63629%0.285SS*.EExtended strand (participates in β ladder)trans-90.3123.7166178.6-104.1000109.1A146 C161 H162F144-A146 HydrophobicContact CD1-CB 4.4Å; F144-A146 HydrophobicContact CE1-CB 3.62Å; F144-A146 HydrophobicContact CZ-CB 4.06Å; F144-C161 VanDerWaalsContact O-CA 3.31Å; F144-C161 WeakPolarHBondContact O-CA 3.11Å; F144-H162 PolarHBondContact N-O 2.89Å; F144-H162 PolarHBondContact O-N 2.97Å
145C97.6Very high88.6Confident17 Ų1759.9 Ų59.912%0.11532%0.318CS..EExtended strand (participates in β ladder)trans-103.8138.9174.1-78.20000110.1T160 C223 V225C145-T160 VanDerWaalsContact CA-O 3.26Å; C145-T160 WeakPolarHBondContact CA-O 3.5Å; C145-C223 HydrophobicContact CB-CB 3.85Å; C145-C223 WeakPolarHBondContact CB-SG 3.47Å; C145-C223 PolarHBondContact N-SG 2.86Å; C145-C223 VanDerWaalsContact N-SG 3.37Å; C145-C223 VanDerWaalsContact SG-C 3.56Å; C145-C223 WeakPolarHBondContact SG-CB 3.43Å; C145-C223 CovalentContact SG-SG 2.03Å; C145-C223 PolarHBondContact SG-SG 2.99Å; C145-V225 HydrophobicContact CB-CB 3.83Å; C145-V225 HydrophobicContact CB-CG1 4.03Å
146A95Very high88Confident15 Ų1562.1 Ų62.112%0.12433%0.33CS..EExtended strand (participates in β ladder)trans-150.6150.8174.700000113.4F144 H148 L159 T160F144-A146 HydrophobicContact CD1-CB 4.4Å; F144-A146 HydrophobicContact CE1-CB 3.62Å; F144-A146 HydrophobicContact CZ-CB 4.06Å; A146-H148 VanDerWaalsContact CB-NE2 3.28Å; A146-H148 WeakPolarHBondContact CB-NE2 3.5Å; A146-L159 CarbonylContact O-C 3.53Å; A146-L159 WeakPolarHBondContact O-CA 3.4Å; A146-T160 PolarHBondContact N-O 3.44Å; A146-T160 VanDerWaalsContact N-O 3.07Å; A146-T160 PolarHBondContact O-N 3.37Å; A146-T160 PolarHBondContact O-OG1 2.81Å
147V93.4Very high87.7Confident48 Ų4861.9 Ų61.929%0.29133%0.329SS..EExtended strand (participates in β ladder)trans-90.4137.1170.9-167.40000109.6V151 V157 L159 V225 L227V147-V151 HydrophobicContact CG1-CG2 4.49Å; V147-V157 HydrophobicContact CG1-CG1 3.87Å; V147-L159 HydrophobicContact CB-CD2 4.07Å; V147-L159 HydrophobicContact CG1-CD2 3.98Å; V147-L159 HydrophobicContact CG2-CD2 3.7Å; V147-V225 HydrophobicContact CG2-CG2 3.56Å; V147-L227 HydrophobicContact CG1-CD1 3.91Å
148H90.7Very high87.5Confident110 Ų11061.2 Ų61.251%0.50933%0.326SS..EExtended strand (participates in β ladder)trans-134.6148.5173.8-55.8-89.6000111.4A146 V157 T158 T160A146-H148 VanDerWaalsContact CB-NE2 3.28Å; A146-H148 WeakPolarHBondContact CB-NE2 3.5Å; H148-V157 WeakPolarHBondContact O-CA 3.44Å; H148-T158 PolarHBondContact N-O 3.23Å; H148-T158 PolarHBondContact O-N 2.8Å; H148-T160 PolarHBondContact CD2-OG1 2.88Å; H148-T160 VanDerWaalsContact CD2-OG1 3.27Å; H148-T160 WeakPolarHBondContact NE2-CB 3.48Å; H148-T160 VanDerWaalsContact NE2-CG2 3.35Å; H148-T160 WeakPolarHBondContact NE2-CG2 3.45Å; H148-T160 PolarHBondContact NE2-OG1 2.95Å
149G83.9Confident87.5Confident55 Ų5560 Ų6057%0.56732%0.32SS*.SBendtrans103.7166.7-17700000112.2
150D74.3Confident87.5Confident90 Ų9054.5 Ų54.548%0.48130%0.303SS..  trans-90106.5177.4177.5-10.2000109.3E152 S153 G154D150-E152 VanDerWaalsContact C-N 3.34Å; D150-E152 WeakPolarHBondContact OD1-CA 3.39Å; D150-E152 WeakPolarHBondContact OD1-CB 3.45Å; D150-E152 PolarHBondContact OD1-N 3.05Å; D150-S153 PolarHBondContact O-N 2.88Å; D150-S153 PolarHBondContact O-OG 3.49Å; D150-S153 PolarHBondContact OD1-N 2.9Å; D150-S153 WeakPolarHBondContact OD2-CB 3.14Å; D150-G154 PolarHBondContact O-N 2.94Å
151V75.3Confident87.5Confident20 Ų2054.4 Ų54.412%0.12130%0.302CS..THydrogen-bonded Turntrans-67.7-32.3179.7-176.10000111.8V147 G154 V157 F207 L227V147-V151 HydrophobicContact CG1-CG2 4.49Å; V151-G154 PolarHBondContact O-N 2.02Å; V151-V157 HydrophobicContact CG2-CG1 4.47Å; V151-V157 HydrophobicContact CG2-CG2 4.05Å; V151-F207 HydrophobicContact CG1-CE1 3.5Å; V151-F207 VanDerWaalsContact CG1-CE1 3.5Å; V151-F207 HydrophobicContact CG1-CZ 3.75Å; V151-L227 HydrophobicContact CG2-CD1 4.36Å
152E68Low87.4Confident152 Ų15259 Ų5971%0.7132%0.322SS*.THydrogen-bonded Turntrans-70.2-37.2176.8-59.8-167.2154.600111.3D150 G154D150-E152 VanDerWaalsContact C-N 3.34Å; D150-E152 WeakPolarHBondContact OD1-CA 3.39Å; D150-E152 WeakPolarHBondContact OD1-CB 3.45Å; D150-E152 PolarHBondContact OD1-N 3.05Å; E152-G154 PolarHBondContact O-N 3.07Å
153S64.8Low87.4Confident52 Ų5253.7 Ų53.736%0.36429%0.29SS..THydrogen-bonded Turntrans-64.6-24.4175.881.20000113.3D150 H155D150-S153 PolarHBondContact O-N 2.88Å; D150-S153 PolarHBondContact O-OG 3.49Å; D150-S153 PolarHBondContact OD1-N 2.9Å; D150-S153 WeakPolarHBondContact OD2-CB 3.14Å; S153-H155 PolarHBondContact O-N 2.81Å; S153-H155 VanDerWaalsContact O-N 3.08Å; S153-H155 PolarHBondContact O-ND1 3.21Å; S153-H155 PolarHBondContact OG-N 2.91Å
154G64.8Low87.4Confident9 Ų961 Ų619%0.09332%0.323CS..  trans73.6-17.9-17600000116.1D150 V151 E152 N201 I202D150-G154 PolarHBondContact O-N 2.94Å; V151-G154 PolarHBondContact O-N 2.02Å; E152-G154 PolarHBondContact O-N 3.07Å; G154-N201 CarbonylContact O-C 3.58Å; G154-N201 WeakPolarHBondContact O-CA 3.23Å; G154-N201 PolarHBondContact O-N 3.03Å; G154-I202 PolarHBondContact O-N 3.37Å
155H75.2Confident87.3Confident149 Ų14960.5 Ų60.569%0.6932%0.317SS*.SBendtrans-68.2-52-157.7-80.264.8000114.7S153 N201S153-H155 PolarHBondContact O-N 2.81Å; S153-H155 VanDerWaalsContact O-N 3.08Å; S153-H155 PolarHBondContact O-ND1 3.21Å; S153-H155 PolarHBondContact OG-N 2.91Å; H155-N201 PolarHBondContact O-N 2.82Å; H155-N201 VanDerWaalsContact O-N 3.13Å
156L85.9Confident87.2Confident85 Ų8560.4 Ų60.445%0.44532%0.32SS..EExtended strand (participates in β ladder)trans-151.1117.2178.9176.563.4000109.7F199 R200L156-F199 WeakPolarHBondContact CA-O 3.49Å; L156-R200 HydrophobicContact CD1-CG 4.39Å
157V91.5Very high87.2Confident0 Ų061.5 Ų61.50%033%0.326CS..EExtended strand (participates in β ladder)trans-115138.1172.1178.90000108.8V147 H148 V151 F199 I202 L227V147-V157 HydrophobicContact CG1-CG1 3.87Å; H148-V157 WeakPolarHBondContact O-CA 3.44Å; V151-V157 HydrophobicContact CG2-CG1 4.47Å; V151-V157 HydrophobicContact CG2-CG2 4.05Å; V157-F199 PolarHBondContact N-O 2.84Å; V157-F199 PolarHBondContact O-N 3.17Å; V157-I202 HydrophobicContact CB-CD1 4.27Å; V157-I202 HydrophobicContact CG1-CD1 4.5Å; V157-I202 HydrophobicContact CG2-CB 4.39Å; V157-I202 HydrophobicContact CG2-CD1 4.15Å; V157-I202 HydrophobicContact CG2-CG2 3.79Å; V157-L227 HydrophobicContact CG1-CD1 3.91Å
158T93.9Very high87.3Confident21 Ų2162.2 Ų62.213%0.12933%0.332CS..EExtended strand (participates in β ladder)trans-126.7121179.8-52.80000109.7H148 T160 L197 Y198H148-T158 PolarHBondContact N-O 3.23Å; H148-T158 PolarHBondContact O-N 2.8Å; T158-T160 HydrophobicContact CG2-CG2 4.14Å; T158-L197 WeakPolarHBondContact CA-O 3.45Å; T158-Y198 HydrophobicContact CG2-CD1 3.62Å; T158-Y198 HydrophobicContact CG2-CE1 3.48Å; T158-Y198 VanDerWaalsContact CG2-CE1 3.48Å; T158-Y198 WeakPolarHBondContact OG1-CD1 3.25Å
159L95.9Very high87.5Confident0 Ų062.8 Ų62.80%034%0.343CS..EExtended strand (participates in β ladder)trans-85.6134.6162.2-54.4-176.9000108.2A146 V147 W174 S196 L197 F199 Y210 V225 L227A146-L159 CarbonylContact O-C 3.53Å; A146-L159 WeakPolarHBondContact O-CA 3.4Å; V147-L159 HydrophobicContact CB-CD2 4.07Å; V147-L159 HydrophobicContact CG1-CD2 3.98Å; V147-L159 HydrophobicContact CG2-CD2 3.7Å; L159-W174 HydrophobicContact CB-CH2 3.69Å; L159-W174 HydrophobicContact CB-CZ2 3.82Å; L159-W174 HydrophobicContact CB-CZ3 4.28Å; L159-W174 HydrophobicContact CD1-CH2 4.41Å; L159-W174 HydrophobicContact CD1-CZ3 4.19Å; L159-S196 CarbonylContact O-C 3.54Å; L159-S196 VanDerWaalsContact O-CA 3.29Å; L159-S196 WeakPolarHBondContact O-CA 3.43Å; L159-L197 HydrophobicContact CB-CB 4.3Å; L159-L197 HydrophobicContact CD1-CD2 4.32Å; L159-L197 PolarHBondContact N-O 2.86Å; L159-L197 PolarHBondContact O-N 2.83Å; L159-F199 HydrophobicContact CD1-CE2 4.12Å; L159-F199 HydrophobicContact CG-CE2 4.23Å; L159-Y210 HydrophobicContact CD1-CD1 3.98Å; L159-Y210 HydrophobicContact CD1-CD2 3.71Å; L159-Y210 HydrophobicContact CD1-CE2 4.39Å; L159-Y210 HydrophobicContact CD1-CG 3.47Å; L159-Y210 VanDerWaalsContact CD1-CG 3.47Å; L159-V225 HydrophobicContact CD1-CG1 4.17Å; L159-V225 HydrophobicContact CD2-CG1 4.26Å; L159-L227 HydrophobicContact CD1-CD2 4.34Å; L159-L227 HydrophobicContact CD2-CB 4.46Å; L159-L227 HydrophobicContact CD2-CD2 4.31Å; L159-L227 HydrophobicContact CG-CD2 4.48Å
160T97.3Very high88.2Confident33 Ų3360.6 Ų60.620%0.20232%0.319CS..EExtended strand (participates in β ladder)trans-115.1151.1175.752.60000110C145 A146 H148 T158C145-T160 VanDerWaalsContact CA-O 3.26Å; C145-T160 WeakPolarHBondContact CA-O 3.5Å; A146-T160 PolarHBondContact N-O 3.44Å; A146-T160 VanDerWaalsContact N-O 3.07Å; A146-T160 PolarHBondContact O-N 3.37Å; A146-T160 PolarHBondContact O-OG1 2.81Å; H148-T160 PolarHBondContact CD2-OG1 2.88Å; H148-T160 VanDerWaalsContact CD2-OG1 3.27Å; H148-T160 WeakPolarHBondContact NE2-CB 3.48Å; H148-T160 VanDerWaalsContact NE2-CG2 3.35Å; H148-T160 WeakPolarHBondContact NE2-CG2 3.45Å; H148-T160 PolarHBondContact NE2-OG1 2.95Å; T158-T160 HydrophobicContact CG2-CG2 4.14Å
161C97.9Very high89.3Confident1 Ų159.9 Ų59.91%0.00732%0.318CS..EExtended strand (participates in β ladder)trans-146.5121.8177.81740000109.1F144 Y172 W174 G195 C212F144-C161 VanDerWaalsContact O-CA 3.31Å; F144-C161 WeakPolarHBondContact O-CA 3.11Å; C161-Y172 HydrophobicContact CB-CD1 4.32Å; C161-Y172 WeakPolarHBondContact O-CE1 3.43Å; C161-Y172 VanDerWaalsContact SG-CD1 3.59Å; C161-W174 HydrophobicContact CB-CH2 4.06Å; C161-W174 HydrophobicContact CB-CZ2 3.44Å; C161-W174 VanDerWaalsContact CB-CZ2 3.44Å; C161-G195 WeakPolarHBondContact CB-O 3.49Å; C161-G195 PolarHBondContact N-O 2.85Å; C161-G195 VanDerWaalsContact N-O 3.07Å; C161-C212 HydrophobicContact CB-CB 3.56Å; C161-C212 WeakPolarHBondContact CB-SG 3.46Å; C161-C212 WeakPolarHBondContact SG-CB 3.35Å; C161-C212 CovalentContact SG-SG 2.02Å; C161-C212 PolarHBondContact SG-SG 2.83Å
162H97.3Very high90.4Very high113 Ų11359.5 Ų59.552%0.52332%0.315SS..EExtended strand (participates in β ladder)trans-142.6129.8-175.1179.964.8000112.6P143 F144P143-H162 CarbonylContact C-O 3.42Å; P143-H162 VanDerWaalsContact CA-O 3.22Å; P143-H162 WeakPolarHBondContact CA-O 3.42Å; F144-H162 PolarHBondContact N-O 2.89Å; F144-H162 PolarHBondContact O-N 2.97Å
163S97.9Very high91.9Very high6 Ų656.1 Ų56.14%0.04231%0.305CS..  trans-100124169.3-65.90000110.5S141 R165 Y172 A214S141-S163 PolarHBondContact O-OG 3.32Å; S163-R165 VanDerWaalsContact C-N 3.26Å; S163-R165 PolarHBondContact O-N 2.81Å; S163-Y172 PolarHBondContact N-OH 3.4Å; S163-A214 VanDerWaalsContact OG-CB 3.31Å; S163-A214 WeakPolarHBondContact OG-CB 3.29Å
164E96.1Very high93.5Very high159 Ų15954.4 Ų54.474%0.74329%0.29SS*.SBendtrans-62.9-29.7175.5-60.8-177.915500113.6S141S141-E164 PolarHBondContact OG-N 2.91Å; S141-E164 VanDerWaalsContact OG-N 3.17Å
165R95.5Very high95Very high135 Ų13556.5 Ų56.551%0.50930%0.299SS..  trans-127.2157.2-177.7-70.2-165.5-54.1-69.82.8111.5E138 P140 S141 S163E138-R165 WeakPolarHBondContact OE1-CB 2.93Å; P140-R165 VanDerWaalsContact CA-O 3.32Å; P140-R165 WeakPolarHBondContact CA-O 3.32Å; S141-R165 PolarHBondContact N-O 3.04Å; S141-R165 PolarHBondContact OG-N 3Å; S163-R165 VanDerWaalsContact C-N 3.26Å; S163-R165 PolarHBondContact O-N 2.81Å
166G95.8Very high96Very high16 Ų1651.3 Ų51.317%0.16527%0.273CS..  trans144.7116.8-175.400000112.2E138 P168E138-G166 PolarHBondContact OE1-N 3.46Å; G166-P168 CarbonylContact C-O 3.55Å; G166-P168 CarbonylContact O-C 3.58Å
167S95.4Very high96.4Very high37 Ų3748 Ų4826%0.25926%0.257SS..BIsolated β-bridgetrans-133.9118.6176.9-179.80000109.3I136 L137 E138 N216I136-S167 VanDerWaalsContact O-CB 3.29Å; I136-S167 WeakPolarHBondContact O-CB 3.36Å; I136-S167 PolarHBondContact O-OG 3.06Å; L137-S167 CarbonylContact C-O 3.44Å; L137-S167 VanDerWaalsContact CA-O 3.25Å; L137-S167 WeakPolarHBondContact CA-O 3.29Å; E138-S167 PolarHBondContact N-O 3.19Å; E138-S167 PolarHBondContact O-N 3.47Å; E138-S167 VanDerWaalsContact O-O 3.07Å; S167-N216 PolarHBondContact N-ND2 2.93Å; S167-N216 PolarHBondContact O-ND2 2.98Å
168P95.7Very high96.2Very high63 Ų6350.2 Ų50.241%0.40927%0.268SS..SBendcis-63.3165-0.9-19.433.9000113.1G166 N216G166-P168 CarbonylContact C-O 3.55Å; G166-P168 CarbonylContact O-C 3.58Å; P168-N216 WeakPolarHBondContact O-CB 3.48Å; P168-N216 PolarHBondContact O-ND2 2.57Å
169T95.6Very high95.8Very high122 Ų12259.1 Ų59.175%0.74831%0.308SS*.PPolyproline II helixtrans-48.8126.9178.6-51.20000111.1
170P98Very high95.4Very high9 Ų964.5 Ų64.56%0.05834%0.337CS..PPolyproline II helixtrans-66.3147.7-178.2-20.532.6000112.9P140 Y172 A214 S215P140-P170 HydrophobicContact CB-CB 4.19Å; P140-P170 HydrophobicContact CB-CG 3.82Å; P140-P170 HydrophobicContact CG-CB 3.96Å; P140-P170 HydrophobicContact CG-CG 3.85Å; P170-Y172 HydrophobicContact CB-CE2 4.48Å; P170-A214 HydrophobicContact CB-CB 4.24Å; P170-S215 CarbonylContact C-O 3.54Å; P170-S215 VanDerWaalsContact CA-O 3.28Å; P170-S215 WeakPolarHBondContact CA-O 3.39Å
171T98.3Very high95Very high76 Ų7671.3 Ų71.347%0.46636%0.364SS..EExtended strand (participates in β ladder)trans-99.5156.1159.4590000109.9P192 A214 S215T171-P192 CarbonylContact C-O 3.56Å; T171-P192 WeakPolarHBondContact CA-O 3.26Å; T171-A214 CarbonylContact O-C 3.53Å; T171-A214 WeakPolarHBondContact O-CA 3.43Å; T171-S215 PolarHBondContact N-O 2.84Å; T171-S215 PolarHBondContact O-N 3.28Å
172Y98.4Very high94.7Very high11 Ų1174.3 Ų74.34%0.04338%0.382CS..EExtended strand (participates in β ladder)trans-120.7138.4-171.1-61-89.4000111.2C161 S163 P170 P192 G195 S213 A214C161-Y172 HydrophobicContact CB-CD1 4.32Å; C161-Y172 WeakPolarHBondContact O-CE1 3.43Å; C161-Y172 VanDerWaalsContact SG-CD1 3.59Å; S163-Y172 PolarHBondContact N-OH 3.4Å; P170-Y172 HydrophobicContact CB-CE2 4.48Å; Y172-P192 PolarHBondContact N-O 3.01Å; Y172-P192 VanDerWaalsContact O-CA 3.25Å; Y172-P192 WeakPolarHBondContact O-CA 3.26Å; Y172-P192 VanDerWaalsContact O-CB 3.26Å; Y172-P192 WeakPolarHBondContact O-CB 3.25Å; Y172-G195 VanDerWaalsContact CB-CA 3.48Å; Y172-S213 WeakPolarHBondContact CA-O 3.42Å; Y172-A214 HydrophobicContact CD1-CB 3.74Å; Y172-A214 HydrophobicContact CE1-CB 3.54Å
173T98.1Very high94.5Very high82 Ų8276.2 Ų76.250%0.50339%0.389SS..EExtended strand (participates in β ladder)trans-129.4146.2171.759.30000110.5C212 S213T173-C212 CarbonylContact O-C 3.53Å; T173-C212 WeakPolarHBondContact O-CA 3.43Å; T173-S213 PolarHBondContact N-O 2.77Å; T173-S213 PolarHBondContact O-N 2.93Å
174W98.3Very high94.3Very high16 Ų1678.1 Ų78.16%0.06140%0.401CS..EExtended strand (participates in β ladder)trans-118.4138.5179.7-75.697.7000110.7L159 C161 V186 G195 L197 C211 C212 V225L159-W174 HydrophobicContact CB-CH2 3.69Å; L159-W174 HydrophobicContact CB-CZ2 3.82Å; L159-W174 HydrophobicContact CB-CZ3 4.28Å; L159-W174 HydrophobicContact CD1-CH2 4.41Å; L159-W174 HydrophobicContact CD1-CZ3 4.19Å; C161-W174 HydrophobicContact CB-CH2 4.06Å; C161-W174 HydrophobicContact CB-CZ2 3.44Å; C161-W174 VanDerWaalsContact CB-CZ2 3.44Å; W174-V186 HydrophobicContact CB-CG1 3.98Å; W174-V186 HydrophobicContact CB-CG2 4.25Å; W174-G195 PolarHBondContact NE1-O 2.82Å; W174-L197 HydrophobicContact CB-CD2 3.88Å; W174-L197 HydrophobicContact CD2-CB 4.14Å; W174-L197 HydrophobicContact CD2-CD2 4.12Å; W174-L197 HydrophobicContact CE3-CD2 4.42Å; W174-L197 HydrophobicContact CG-CB 3.97Å; W174-L197 HydrophobicContact CG-CD2 3.93Å; W174-C211 WeakPolarHBondContact CA-O 3.3Å; W174-C212 HydrophobicContact CD2-CB 3.93Å; W174-C212 HydrophobicContact CE3-CB 3.79Å; W174-C212 HydrophobicContact CH2-CB 3.85Å; W174-C212 HydrophobicContact CZ2-CB 3.99Å; W174-C212 HydrophobicContact CZ3-CB 3.74Å; W174-V225 HydrophobicContact CH2-CG1 4Å; W174-V225 HydrophobicContact CZ3-CG1 3.92Å
175I97.5Very high94.3Very high52 Ų5276 Ų7627%0.26740%0.4SS..EExtended strand (participates in β ladder)trans-130.2150.4169.660.1176.3000109.1K183 C211I175-K183 HydrophobicContact CD1-CB 4.13Å; I175-K183 HydrophobicContact CD1-CD 3.63Å; I175-K183 HydrophobicContact CD1-CG 3.84Å; I175-C211 HydrophobicContact CD1-CB 4.17Å; I175-C211 HydrophobicContact CG1-CB 3.76Å; I175-C211 PolarHBondContact N-O 2.94Å; I175-C211 PolarHBondContact O-N 2.94Å
176R96.1Very high94.2Very high41 Ų4170.7 Ų70.716%0.15538%0.383CS..EExtended strand (participates in β ladder)trans-83142.4164.5179-175.4-171.1141.115.8108.4D178 K183 T184 F205 F207 Y210R176-D178 WeakPolarHBondContact CD-OD1 3.38Å; R176-D178 IonicContact CZ-OD1 2.71Å; R176-D178 IonicContact NE-OD1 3.59Å; R176-D178 PolarHBondContact NE-OD1 2.97Å; R176-K183 WeakPolarHBondContact O-CA 3.48Å; R176-T184 WeakPolarHBondContact CB-OG1 3.38Å; R176-T184 PolarHBondContact N-O 3.43Å; R176-T184 PolarHBondContact O-N 3.25Å; R176-F205 VanDerWaalsContact CZ-O 3.31Å; R176-F205 PolarHBondContact NH1-O 3.04Å; R176-F205 PolarHBondContact NH2-O 3.26Å; R176-F207 PolarHBondContact NH2-O 2.89Å; R176-Y210 HydrophobicContact CB-CD1 4.44Å; R176-Y210 HydrophobicContact CB-CE1 4.15Å
177V94.9Very high93.9Very high16 Ų1675.5 Ų75.510%0.09740%0.403CS..EExtended strand (participates in β ladder)trans-114.2111.4171.7-175.70000106.8E209 C211V177-E209 HydrophobicContact CB-CB 4.21Å; V177-E209 HydrophobicContact CB-CG 4.27Å; V177-E209 PolarHBondContact N-O 3.16Å; V177-C211 HydrophobicContact CG2-CB 3.71Å
178D87.4Confident93.7Very high45 Ų4574.3 Ų74.324%0.24140%0.396CS..  trans-82.5166.3178.2-65.9-58.9000110.5R176 D180 K181 T182 T184R176-D178 WeakPolarHBondContact CD-OD1 3.38Å; R176-D178 IonicContact CZ-OD1 2.71Å; R176-D178 IonicContact NE-OD1 3.59Å; R176-D178 PolarHBondContact NE-OD1 2.97Å; D178-D180 PolarHBondContact O-N 2.75Å; D178-D180 VanDerWaalsContact O-N 3.1Å; D178-K181 VanDerWaalsContact O-CA 3.3Å; D178-K181 WeakPolarHBondContact O-CA 3.35Å; D178-K181 PolarHBondContact O-N 2.71Å; D178-T182 PolarHBondContact N-O 3.35Å; D178-T184 WeakPolarHBondContact OD2-CG2 3.34Å; D178-T184 PolarHBondContact OD2-OG1 3.37Å
179Q83.9Confident93.6Very high208 Ų20876.1 Ų76.197%0.97240%0.402SS*.THydrogen-bonded Turntrans-60.7-25.6-169.8-67.1-178.9-700114.3K181Q179-K181 PolarHBondContact O-N 2.81Å
180D89Confident93.6Very high114 Ų11473.6 Ų73.661%0.6139%0.388SS*.THydrogen-bonded Turntrans-84.37.6174.265.6-5.6000113.3D178 T182D178-D180 PolarHBondContact O-N 2.75Å; D178-D180 VanDerWaalsContact O-N 3.1Å; D180-T182 PolarHBondContact O-N 3.34Å; D180-T182 VanDerWaalsContact OD1-CB 3.27Å; D180-T182 WeakPolarHBondContact OD1-CB 3.38Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.25Å; D180-T182 PolarHBondContact OD1-N 2.83Å; D180-T182 PolarHBondContact OD1-OG1 3.27Å; D180-T182 VanDerWaalsContact OD2-CG2 3.29Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.28Å
181K88.1Confident93.6Very high175 Ų17575.6 Ų75.676%0.76140%0.399SS*.  trans64.615.6-173.1-52.2-179.4-179.9-178.90114.4D178 Q179D178-K181 VanDerWaalsContact O-CA 3.3Å; D178-K181 WeakPolarHBondContact O-CA 3.35Å; D178-K181 PolarHBondContact O-N 2.71Å; Q179-K181 PolarHBondContact O-N 2.81Å
182T91.3Very high93.5Very high64 Ų6474.9 Ų74.939%0.39340%0.395SS..  trans-65.5146.3167.858.80000110.2D178 D180D178-T182 PolarHBondContact N-O 3.35Å; D180-T182 PolarHBondContact O-N 3.34Å; D180-T182 VanDerWaalsContact OD1-CB 3.27Å; D180-T182 WeakPolarHBondContact OD1-CB 3.38Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.25Å; D180-T182 PolarHBondContact OD1-N 2.83Å; D180-T182 PolarHBondContact OD1-OG1 3.27Å; D180-T182 VanDerWaalsContact OD2-CG2 3.29Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.28Å
183K94.1Very high93.4Very high153 Ų15379.9 Ų79.967%0.66542%0.422SS*.EExtended strand (participates in β ladder)trans-109.7108-174.8-69.5-179.9170.6-173.50108.4I175 R176I175-K183 HydrophobicContact CD1-CB 4.13Å; I175-K183 HydrophobicContact CD1-CD 3.63Å; I175-K183 HydrophobicContact CD1-CG 3.84Å; R176-K183 WeakPolarHBondContact O-CA 3.48Å
184T93.6Very high93.2Very high47 Ų4780.4 Ų80.429%0.28842%0.421SS..EExtended strand (participates in β ladder)trans-111151-17651.50000111.3R176 D178R176-T184 WeakPolarHBondContact CB-OG1 3.38Å; R176-T184 PolarHBondContact N-O 3.43Å; R176-T184 PolarHBondContact O-N 3.25Å; D178-T184 WeakPolarHBondContact OD2-CG2 3.34Å; D178-T184 PolarHBondContact OD2-OG1 3.37Å
185P94.4Very high93.2Very high114 Ų11479.6 Ų79.674%0.7442%0.418SS*.EExtended strand (participates in β ladder)trans-60.6142.7173.9-22.333.9000111.4
186V94.9Very high93.1Very high24 Ų2477.7 Ų77.715%0.14541%0.409CS..  trans-71.8140.4175.2-61.90000111.3W174 P190 L197 Y210W174-V186 HydrophobicContact CB-CG1 3.98Å; W174-V186 HydrophobicContact CB-CG2 4.25Å; V186-P190 HydrophobicContact CG2-CG 4.4Å; V186-L197 HydrophobicContact CB-CD1 4.24Å; V186-L197 HydrophobicContact CB-CD2 3.85Å; V186-L197 HydrophobicContact CG1-CD2 3.73Å; V186-L197 HydrophobicContact CG2-CD1 3.79Å; V186-L197 HydrophobicContact CG2-CD2 4.02Å; V186-Y210 HydrophobicContact CB-CE1 4.44Å; V186-Y210 HydrophobicContact CG1-CD1 3.85Å; V186-Y210 HydrophobicContact CG1-CE1 3.83Å
187M89.8Confident93.2Very high116 Ų11675.7 Ų75.757%0.57140%0.402SS*.SBendtrans-85.4-13.1177.4-57.8-172-60.500113.3F205 E206M187-F205 HydrophobicContact CE-CB 4.43Å; M187-E206 HydrophobicContact CE-CG 4.27Å; M187-E206 VanDerWaalsContact CE-OE1 3.26Å; M187-E206 WeakPolarHBondContact CE-OE1 3.35Å
188G90.3Very high93.1Very high12 Ų1278.4 Ų78.412%0.12441%0.411CS..SBendtrans-79.6-174.6175.500000112.9P190 L197 Y198G188-P190 VanDerWaalsContact O-CD 3.26Å; G188-P190 WeakPolarHBondContact O-CD 3.39Å; G188-L197 VanDerWaalsContact C-CD1 3.49Å; G188-Y198 WeakPolarHBondContact CA-O 3.45Å
189N94.1Very high93.4Very high101 Ų10176.7 Ų76.754%0.5440%0.401SS..EExtended strand (participates in β ladder)trans-102.8104.1-180-58.2-97.2000109.6Y198N189-Y198 PolarHBondContact N-O 3.39Å; N189-Y198 PolarHBondContact ND2-O 3.4Å; N189-Y198 WeakPolarHBondContact O-CD2 3.34Å; N189-Y198 PolarHBondContact O-N 2.85Å
190P96.1Very high93.5Very high70 Ų7076.4 Ų76.446%0.45539%0.391SS..EExtended strand (participates in β ladder)trans-81.8139.6176.231.3-33.9000112.2V186 G188 S196 L197V186-P190 HydrophobicContact CG2-CG 4.4Å; G188-P190 VanDerWaalsContact O-CD 3.26Å; G188-P190 WeakPolarHBondContact O-CD 3.39Å; P190-S196 CarbonylContact C-O 3.54Å; P190-S196 WeakPolarHBondContact CA-O 3.46Å; P190-L197 HydrophobicContact CB-CD1 4.2Å
191D97.1Very high93.3Very high51 Ų5177.3 Ų77.327%0.27340%0.396SS..EExtended strand (participates in β ladder)trans-106.5109.3162.9-171.9-29.5000109.5N193 I194 G195 S196 Y198D191-N193 PolarHBondContact O-N 3.49Å; D191-N193 WeakPolarHBondContact OD1-CB 3.01Å; D191-N193 PolarHBondContact OD1-N 3.27Å; D191-N193 PolarHBondContact OD1-ND2 2.81Å; D191-I194 HydrophobicContact CB-CD1 4.26Å; D191-I194 HydrophobicContact CB-CG1 3.79Å; D191-G195 PolarHBondContact O-N 2.81Å; D191-S196 PolarHBondContact N-O 2.8Å; D191-S196 PolarHBondContact O-N 2.87Å; D191-Y198 HydrophobicContact CB-CE2 4.37Å
192P96.1Very high93.1Very high61 Ų6169.9 Ų69.940%0.39636%0.364SS..THydrogen-bonded Turntrans-74.5-8-17531.9-36.8000114.3T171 Y172T171-P192 CarbonylContact C-O 3.56Å; T171-P192 WeakPolarHBondContact CA-O 3.26Å; Y172-P192 PolarHBondContact N-O 3.01Å; Y172-P192 VanDerWaalsContact O-CA 3.25Å; Y172-P192 WeakPolarHBondContact O-CA 3.26Å; Y172-P192 VanDerWaalsContact O-CB 3.26Å; Y172-P192 WeakPolarHBondContact O-CB 3.25Å
193N95.6Very high92.8Very high115 Ų11568.9 Ų68.962%0.61536%0.36SS*.THydrogen-bonded Turntrans-90.3-34-178.4-52-77000112.2D191D191-N193 PolarHBondContact O-N 3.49Å; D191-N193 WeakPolarHBondContact OD1-CB 3.01Å; D191-N193 PolarHBondContact OD1-N 3.27Å; D191-N193 PolarHBondContact OD1-ND2 2.81Å
194I95.4Very high92.3Very high93 Ų9368.2 Ų68.248%0.47736%0.359SS..THydrogen-bonded Turntrans-112.5-3.8-178.561.3174.8000113.4D191 S196 Y198D191-I194 HydrophobicContact CB-CD1 4.26Å; D191-I194 HydrophobicContact CB-CG1 3.79Å; I194-S196 VanDerWaalsContact C-N 3.31Å; I194-S196 PolarHBondContact O-N 2.88Å; I194-Y198 WeakPolarHBondContact CD1-OH 3.37Å
195G96.8Very high91.9Very high0 Ų072.3 Ų72.30%037%0.373CS..THydrogen-bonded Turntrans74.417.1176.100000115.1C161 Y172 W174 D191C161-G195 WeakPolarHBondContact CB-O 3.49Å; C161-G195 PolarHBondContact N-O 2.85Å; C161-G195 VanDerWaalsContact N-O 3.07Å; Y172-G195 VanDerWaalsContact CB-CA 3.48Å; W174-G195 PolarHBondContact NE1-O 2.82Å; D191-G195 PolarHBondContact O-N 2.81Å
196S96.9Very high91.6Very high11 Ų1168.4 Ų68.48%0.07735%0.345CS..EExtended strand (participates in β ladder)trans-86.7146.8178.4-60.20000112.2L159 P190 D191 I194 Y198L159-S196 CarbonylContact O-C 3.54Å; L159-S196 VanDerWaalsContact O-CA 3.29Å; L159-S196 WeakPolarHBondContact O-CA 3.43Å; P190-S196 CarbonylContact C-O 3.54Å; P190-S196 WeakPolarHBondContact CA-O 3.46Å; D191-S196 PolarHBondContact N-O 2.8Å; D191-S196 PolarHBondContact O-N 2.87Å; I194-S196 VanDerWaalsContact C-N 3.31Å; I194-S196 PolarHBondContact O-N 2.88Å; S196-Y198 VanDerWaalsContact CB-OH 3.23Å; S196-Y198 WeakPolarHBondContact CB-OH 3.48Å; S196-Y198 PolarHBondContact OG-OH 2.92Å
197L96.8Very high91.3Very high0 Ų068.9 Ų68.90%035%0.345CS..EExtended strand (participates in β ladder)trans-129.9117.2168.4170.660000109.4T158 L159 W174 V186 G188 P190 F199 Y210T158-L197 WeakPolarHBondContact CA-O 3.45Å; L159-L197 HydrophobicContact CB-CB 4.3Å; L159-L197 HydrophobicContact CD1-CD2 4.32Å; L159-L197 PolarHBondContact N-O 2.86Å; L159-L197 PolarHBondContact O-N 2.83Å; W174-L197 HydrophobicContact CB-CD2 3.88Å; W174-L197 HydrophobicContact CD2-CB 4.14Å; W174-L197 HydrophobicContact CD2-CD2 4.12Å; W174-L197 HydrophobicContact CE3-CD2 4.42Å; W174-L197 HydrophobicContact CG-CB 3.97Å; W174-L197 HydrophobicContact CG-CD2 3.93Å; V186-L197 HydrophobicContact CB-CD1 4.24Å; V186-L197 HydrophobicContact CB-CD2 3.85Å; V186-L197 HydrophobicContact CG1-CD2 3.73Å; V186-L197 HydrophobicContact CG2-CD1 3.79Å; V186-L197 HydrophobicContact CG2-CD2 4.02Å; G188-L197 VanDerWaalsContact C-CD1 3.49Å; P190-L197 HydrophobicContact CB-CD1 4.2Å; L197-F199 HydrophobicContact CD1-CZ 4.37Å; L197-F199 HydrophobicContact CD2-CE2 3.94Å; L197-F199 HydrophobicContact CD2-CZ 3.77Å; L197-F199 HydrophobicContact CG-CE2 3.78Å; L197-F199 HydrophobicContact CG-CZ 3.89Å; L197-Y210 HydrophobicContact CD2-CD1 3.96Å; L197-Y210 HydrophobicContact CD2-CE1 4.16Å
198Y93.9Very high91.4Very high73 Ų7364.4 Ų64.429%0.28633%0.329SS..EExtended strand (participates in β ladder)trans-104.4128.5-171.9-54-79.5000112.7T158 G188 N189 D191 I194 S196T158-Y198 HydrophobicContact CG2-CD1 3.62Å; T158-Y198 HydrophobicContact CG2-CE1 3.48Å; T158-Y198 VanDerWaalsContact CG2-CE1 3.48Å; T158-Y198 WeakPolarHBondContact OG1-CD1 3.25Å; G188-Y198 WeakPolarHBondContact CA-O 3.45Å; N189-Y198 PolarHBondContact N-O 3.39Å; N189-Y198 PolarHBondContact ND2-O 3.4Å; N189-Y198 WeakPolarHBondContact O-CD2 3.34Å; N189-Y198 PolarHBondContact O-N 2.85Å; D191-Y198 HydrophobicContact CB-CE2 4.37Å; I194-Y198 WeakPolarHBondContact CD1-OH 3.37Å; S196-Y198 VanDerWaalsContact CB-OH 3.23Å; S196-Y198 WeakPolarHBondContact CB-OH 3.48Å; S196-Y198 PolarHBondContact OG-OH 2.92Å
199F92.5Very high91.7Very high9 Ų967.6 Ų67.64%0.03934%0.341CS..EExtended strand (participates in β ladder)trans-112.2125.7169.8-59.5-82.1000109.9L156 V157 L159 L197 I202 E206 Y210 L227L156-F199 WeakPolarHBondContact CA-O 3.49Å; V157-F199 PolarHBondContact N-O 2.84Å; V157-F199 PolarHBondContact O-N 3.17Å; L159-F199 HydrophobicContact CD1-CE2 4.12Å; L159-F199 HydrophobicContact CG-CE2 4.23Å; L197-F199 HydrophobicContact CD1-CZ 4.37Å; L197-F199 HydrophobicContact CD2-CE2 3.94Å; L197-F199 HydrophobicContact CD2-CZ 3.77Å; L197-F199 HydrophobicContact CG-CE2 3.78Å; L197-F199 HydrophobicContact CG-CZ 3.89Å; F199-I202 HydrophobicContact CB-CB 4.48Å; F199-E206 HydrophobicContact CD1-CB 4.29Å; F199-E206 HydrophobicContact CD1-CG 3.67Å; F199-E206 HydrophobicContact CE1-CB 4.37Å; F199-E206 HydrophobicContact CE1-CG 3.91Å; F199-E206 HydrophobicContact CG-CG 4.47Å; F199-Y210 HydrophobicContact CE2-CE1 4.46Å; F199-Y210 AromaticContact CZ-CE1 3.7Å; F199-Y210 HydrophobicContact CZ-CE1 3.7Å; F199-Y210 AromaticContact CZ-CZ 3.71Å; F199-L227 HydrophobicContact CD2-CD2 4.04Å; F199-L227 HydrophobicContact CE2-CD2 3.82Å; F199-L227 HydrophobicContact CZ-CD2 4.49Å
200R87.3Confident91.8Very high202 Ų20262.8 Ų62.876%0.76232%0.315SS*.EExtended strand (participates in β ladder)trans-105.3129.5174.7-64.5176.7-177.8-98.10.2108.2L156L156-R200 HydrophobicContact CD1-CG 4.39Å
201N83.7Confident91.9Very high133 Ų13360.2 Ų60.271%0.71130%0.299SS*.SBendtrans55.263.3-176.4-163.347.3000112.2G154 H155G154-N201 CarbonylContact O-C 3.58Å; G154-N201 WeakPolarHBondContact O-CA 3.23Å; G154-N201 PolarHBondContact O-N 3.03Å; H155-N201 PolarHBondContact O-N 2.82Å; H155-N201 VanDerWaalsContact O-N 3.13Å
202I85.3Confident91.9Very high18 Ų1857.8 Ų57.89%0.09229%0.286CS..  trans-63.3142.6-176.2-170.7169.3000111.5G154 V157 F199 E206 F207 L227G154-I202 PolarHBondContact O-N 3.37Å; V157-I202 HydrophobicContact CB-CD1 4.27Å; V157-I202 HydrophobicContact CG1-CD1 4.5Å; V157-I202 HydrophobicContact CG2-CB 4.39Å; V157-I202 HydrophobicContact CG2-CD1 4.15Å; V157-I202 HydrophobicContact CG2-CG2 3.79Å; F199-I202 HydrophobicContact CB-CB 4.48Å; I202-E206 HydrophobicContact CD1-CB 3.99Å; I202-E206 HydrophobicContact CG1-CB 3.69Å; I202-E206 HydrophobicContact CG1-CG 4.24Å; I202-F207 HydrophobicContact CD1-CD1 4.41Å; I202-F207 HydrophobicContact CD1-CE1 3.78Å; I202-F207 HydrophobicContact CD1-CZ 4.39Å; I202-F207 HydrophobicContact CG1-CE1 4.33Å; I202-F207 HydrophobicContact CG1-CZ 4.49Å; I202-L227 HydrophobicContact CD1-CD1 4.06Å; I202-L227 HydrophobicContact CD1-CD2 3.79Å; I202-L227 HydrophobicContact CD1-CG 4.09Å
203S84.9Confident92Very high44 Ų4456.2 Ų56.231%0.30828%0.276SS..  trans-126.5177.8177.283.70000111.2F205 E206S203-F205 PolarHBondContact O-N 2.86Å; S203-F205 VanDerWaalsContact O-N 3.08Å; S203-F205 WeakPolarHBondContact OG-CD2 3.33Å; S203-F205 PolarHBondContact OG-N 2.7Å; S203-E206 VanDerWaalsContact CA-OE2 3.28Å; S203-E206 WeakPolarHBondContact CA-OE2 3.13Å; S203-E206 VanDerWaalsContact CB-OE2 3.28Å; S203-E206 WeakPolarHBondContact CB-OE2 3.14Å; S203-E206 PolarHBondContact N-OE2 3Å; S203-E206 PolarHBondContact O-N 2.86Å; S203-E206 VanDerWaalsContact O-OE2 3.09Å; S203-E206 PolarHBondContact OG-OE2 3.27Å
204Q83.7Confident92.2Very high138 Ų13850.8 Ų50.865%0.64525%0.247SC*.G310 helixtrans-60.1-18.9176.469.6-178.831.500114.8E206 F207Q204-E206 VanDerWaalsContact C-N 3.33Å; Q204-F207 HydrophobicContact CB-CD2 4.29Å; Q204-F207 HydrophobicContact CB-CE2 4.36Å
205F84.5Confident92.3Very high133 Ų13348.4 Ų48.458%0.58324%0.239SC*.G310 helixtrans-78.7-17.7-178.6-60.6-68.3000113.1R176 M187 S203R176-F205 VanDerWaalsContact CZ-O 3.31Å; R176-F205 PolarHBondContact NH1-O 3.04Å; R176-F205 PolarHBondContact NH2-O 3.26Å; M187-F205 HydrophobicContact CE-CB 4.43Å; S203-F205 PolarHBondContact O-N 2.86Å; S203-F205 VanDerWaalsContact O-N 3.08Å; S203-F205 WeakPolarHBondContact OG-CD2 3.33Å; S203-F205 PolarHBondContact OG-N 2.7Å
206E88.1Confident92.3Very high32 Ų3249.5 Ų49.515%0.1524%0.244CC..G310 helixtrans-89.8-1.8175.8-69.869.9-13800113.5M187 F199 I202 S203 Q204 Y210M187-E206 HydrophobicContact CE-CG 4.27Å; M187-E206 VanDerWaalsContact CE-OE1 3.26Å; M187-E206 WeakPolarHBondContact CE-OE1 3.35Å; F199-E206 HydrophobicContact CD1-CB 4.29Å; F199-E206 HydrophobicContact CD1-CG 3.67Å; F199-E206 HydrophobicContact CE1-CB 4.37Å; F199-E206 HydrophobicContact CE1-CG 3.91Å; F199-E206 HydrophobicContact CG-CG 4.47Å; I202-E206 HydrophobicContact CD1-CB 3.99Å; I202-E206 HydrophobicContact CG1-CB 3.69Å; I202-E206 HydrophobicContact CG1-CG 4.24Å; S203-E206 VanDerWaalsContact CA-OE2 3.28Å; S203-E206 WeakPolarHBondContact CA-OE2 3.13Å; S203-E206 VanDerWaalsContact CB-OE2 3.28Å; S203-E206 WeakPolarHBondContact CB-OE2 3.14Å; S203-E206 PolarHBondContact N-OE2 3Å; S203-E206 PolarHBondContact O-N 2.86Å; S203-E206 VanDerWaalsContact O-OE2 3.09Å; S203-E206 PolarHBondContact OG-OE2 3.27Å; Q204-E206 VanDerWaalsContact C-N 3.33Å; E206-Y210 WeakPolarHBondContact O-CE2 3.45Å; E206-Y210 PolarHBondContact O-OH 3.14Å
207F89.4Confident92.3Very high34 Ų3453.5 Ų53.515%0.14928%0.278CS..  trans-79.4142.9174.8-59.8-48000112.4V151 R176 I202 Q204 L227 H229V151-F207 HydrophobicContact CG1-CE1 3.5Å; V151-F207 VanDerWaalsContact CG1-CE1 3.5Å; V151-F207 HydrophobicContact CG1-CZ 3.75Å; R176-F207 PolarHBondContact NH2-O 2.89Å; I202-F207 HydrophobicContact CD1-CD1 4.41Å; I202-F207 HydrophobicContact CD1-CE1 3.78Å; I202-F207 HydrophobicContact CD1-CZ 4.39Å; I202-F207 HydrophobicContact CG1-CE1 4.33Å; I202-F207 HydrophobicContact CG1-CZ 4.49Å; Q204-F207 HydrophobicContact CB-CD2 4.29Å; Q204-F207 HydrophobicContact CB-CE2 4.36Å; F207-L227 CarbonylContact C-O 3.56Å; F207-L227 WeakPolarHBondContact CA-O 3.35Å; F207-L227 WeakPolarHBondContact CB-O 3.47Å; F207-L227 HydrophobicContact CD1-CD1 4.44Å; F207-L227 HydrophobicContact CD1-CG 4.04Å; F207-L227 WeakPolarHBondContact CD1-O 3.3Å; F207-L227 HydrophobicContact CE1-CD1 4.45Å; F207-L227 HydrophobicContact CE1-CG 4.45Å; F207-H229 AromaticContact CD2-CD2 3.85Å; F207-H229 AromaticContact CD2-NE2 3.98Å; F207-H229 AromaticContact CE2-CD2 3.38Å; F207-H229 WeakPolarHBondContact CE2-CD2 3.41Å; F207-H229 AromaticContact CE2-CE1 3.41Å; F207-H229 VanDerWaalsContact CE2-CE1 3.41Å; F207-H229 WeakPolarHBondContact CE2-CE1 3.45Å; F207-H229 AromaticContact CE2-CG 3.74Å; F207-H229 AromaticContact CE2-ND1 3.75Å; F207-H229 AromaticContact CE2-NE2 3.18Å; F207-H229 WeakPolarHBondContact CE2-NE2 3.4Å; F207-H229 AromaticContact CZ-CD2 3.99Å; F207-H229 AromaticContact CZ-CE1 3.62Å; F207-H229 AromaticContact CZ-CG 3.86Å; F207-H229 AromaticContact CZ-ND1 3.62Å; F207-H229 AromaticContact CZ-NE2 3.87Å
208G91.2Very high92.3Very high22 Ų2255.9 Ų55.923%0.22729%0.293CS..EExtended strand (participates in β ladder)trans148.3-173.8-177.400000113.2Y210 L227G208-Y210 WeakPolarHBondContact O-CD2 3.21Å; G208-L227 PolarHBondContact N-O 2.84Å; G208-L227 PolarHBondContact O-N 3.32Å
209E95.5Very high92.5Very high79 Ų7953.4 Ų53.437%0.36929%0.289SS..EExtended strand (participates in β ladder)trans-84.4136176.3-173.9176.8-14800110.8V177 T224V177-E209 HydrophobicContact CB-CB 4.21Å; V177-E209 HydrophobicContact CB-CG 4.27Å; V177-E209 PolarHBondContact N-O 3.16Å; E209-T224 HydrophobicContact CG-CG2 4.4Å; E209-T224 WeakPolarHBondContact OE1-CB 3.37Å; E209-T224 WeakPolarHBondContact OE1-CG2 3.33Å; E209-T224 PolarHBondContact OE1-OG1 2.89Å
210Y96.6Very high92.8Very high1 Ų155.3 Ų55.30%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-119.9130.5175.7-73.7-91.8000109.6L159 R176 V186 L197 F199 E206 G208 T224 V225 L227L159-Y210 HydrophobicContact CD1-CD1 3.98Å; L159-Y210 HydrophobicContact CD1-CD2 3.71Å; L159-Y210 HydrophobicContact CD1-CE2 4.39Å; L159-Y210 HydrophobicContact CD1-CG 3.47Å; L159-Y210 VanDerWaalsContact CD1-CG 3.47Å; R176-Y210 HydrophobicContact CB-CD1 4.44Å; R176-Y210 HydrophobicContact CB-CE1 4.15Å; V186-Y210 HydrophobicContact CB-CE1 4.44Å; V186-Y210 HydrophobicContact CG1-CD1 3.85Å; V186-Y210 HydrophobicContact CG1-CE1 3.83Å; L197-Y210 HydrophobicContact CD2-CD1 3.96Å; L197-Y210 HydrophobicContact CD2-CE1 4.16Å; F199-Y210 HydrophobicContact CE2-CE1 4.46Å; F199-Y210 AromaticContact CZ-CE1 3.7Å; F199-Y210 HydrophobicContact CZ-CE1 3.7Å; F199-Y210 AromaticContact CZ-CZ 3.71Å; E206-Y210 WeakPolarHBondContact O-CE2 3.45Å; E206-Y210 PolarHBondContact O-OH 3.14Å; G208-Y210 WeakPolarHBondContact O-CD2 3.21Å; Y210-T224 CarbonylContact O-C 3.6Å; Y210-T224 VanDerWaalsContact O-CA 3.23Å; Y210-T224 WeakPolarHBondContact O-CA 3.33Å; Y210-V225 PolarHBondContact N-O 2.84Å; Y210-V225 PolarHBondContact O-N 3.5Å; Y210-L227 HydrophobicContact CD2-CB 3.9Å; Y210-L227 HydrophobicContact CD2-CD2 4.46Å; Y210-L227 HydrophobicContact CE2-CB 3.85Å; Y210-L227 HydrophobicContact CE2-CD2 3.92Å; Y210-L227 HydrophobicContact CE2-CG 4.43Å
211C97.6Very high93.3Very high16 Ų1646.3 Ų46.311%0.10827%0.273CS..EExtended strand (participates in β ladder)trans-108.8123.5175.8-176.60000109.8W174 I175 V177 C223 T224W174-C211 WeakPolarHBondContact CA-O 3.3Å; I175-C211 HydrophobicContact CD1-CB 4.17Å; I175-C211 HydrophobicContact CG1-CB 3.76Å; I175-C211 PolarHBondContact N-O 2.94Å; I175-C211 PolarHBondContact O-N 2.94Å; V177-C211 HydrophobicContact CG2-CB 3.71Å; C211-C223 WeakPolarHBondContact CA-O 3.29Å; C211-T224 HydrophobicContact CB-CG2 3.88Å
212C98.3Very high94Very high0 Ų043.8 Ų43.80%026%0.262CS..EExtended strand (participates in β ladder)trans-95.2141.3168.1177.50000110.3C161 T173 W174 T222 C223C161-C212 HydrophobicContact CB-CB 3.56Å; C161-C212 WeakPolarHBondContact CB-SG 3.46Å; C161-C212 WeakPolarHBondContact SG-CB 3.35Å; C161-C212 CovalentContact SG-SG 2.02Å; C161-C212 PolarHBondContact SG-SG 2.83Å; T173-C212 CarbonylContact O-C 3.53Å; T173-C212 WeakPolarHBondContact O-CA 3.43Å; W174-C212 HydrophobicContact CD2-CB 3.93Å; W174-C212 HydrophobicContact CE3-CB 3.79Å; W174-C212 HydrophobicContact CH2-CB 3.85Å; W174-C212 HydrophobicContact CZ2-CB 3.99Å; W174-C212 HydrophobicContact CZ3-CB 3.74Å; C212-T222 CarbonylContact O-C 3.47Å; C212-T222 WeakPolarHBondContact O-CA 3.48Å; C212-T222 VanDerWaalsContact O-CB 3.32Å; C212-T222 WeakPolarHBondContact O-CB 3.27Å; C212-C223 PolarHBondContact N-O 3.35Å; C212-C223 PolarHBondContact O-N 2.92Å
213S98.2Very high94.6Very high28 Ų2843.7 Ų43.720%0.19626%0.263CS..EExtended strand (participates in β ladder)trans-119.2113.9167.31760000110.2Y172 T173Y172-S213 WeakPolarHBondContact CA-O 3.42Å; T173-S213 PolarHBondContact N-O 2.77Å; T173-S213 PolarHBondContact O-N 2.93Å
214A98.6Very high95.1Very high0 Ų045.2 Ų45.20%027%0.27CS..EExtended strand (participates in β ladder)trans-82.8132.9164.300000109.1P140 P143 S163 P170 T171 Y172 S220 A221P140-A214 HydrophobicContact CB-CB 3.9Å; P140-A214 HydrophobicContact CG-CB 4.4Å; P143-A214 HydrophobicContact CB-CB 4.43Å; P143-A214 HydrophobicContact CG-CB 4.18Å; S163-A214 VanDerWaalsContact OG-CB 3.31Å; S163-A214 WeakPolarHBondContact OG-CB 3.29Å; P170-A214 HydrophobicContact CB-CB 4.24Å; T171-A214 CarbonylContact O-C 3.53Å; T171-A214 WeakPolarHBondContact O-CA 3.43Å; Y172-A214 HydrophobicContact CD1-CB 3.74Å; Y172-A214 HydrophobicContact CE1-CB 3.54Å; A214-S220 CarbonylContact O-C 3.51Å; A214-S220 WeakPolarHBondContact O-CA 3.47Å; A214-S220 WeakPolarHBondContact O-CB 3.21Å; A214-A221 PolarHBondContact N-O 2.98Å; A214-A221 PolarHBondContact O-N 2.64Å
215S98.3Very high95.7Very high44 Ų4439.6 Ų39.631%0.30825%0.245SC..EExtended strand (participates in β ladder)trans-144142.8-174.3-163.60000112.8P170 T171P170-S215 CarbonylContact C-O 3.54Å; P170-S215 VanDerWaalsContact CA-O 3.28Å; P170-S215 WeakPolarHBondContact CA-O 3.39Å; T171-S215 PolarHBondContact N-O 2.84Å; T171-S215 PolarHBondContact O-N 3.28Å
216N97.8Very high96.1Very high22 Ų2239.9 Ų39.912%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-141.1-172.5166.773.212.8000110.5E138 P140 S167 P168 V218 G219E138-N216 PolarHBondContact O-ND2 3.36Å; P140-N216 HydrophobicContact CG-CB 4.47Å; S167-N216 PolarHBondContact N-ND2 2.93Å; S167-N216 PolarHBondContact O-ND2 2.98Å; P168-N216 WeakPolarHBondContact O-CB 3.48Å; P168-N216 PolarHBondContact O-ND2 2.57Å; N216-V218 PolarHBondContact O-N 3.03Å; N216-V218 VanDerWaalsContact O-N 3.16Å; N216-V218 WeakPolarHBondContact OD1-CA 3.49Å; N216-V218 WeakPolarHBondContact OD1-CB 3.25Å; N216-V218 PolarHBondContact OD1-N 3.23Å; N216-G219 PolarHBondContact N-O 3.06Å; N216-G219 PolarHBondContact O-N 2.88Å; N216-G219 PolarHBondContact OD1-N 3.46Å; N216-G219 PolarHBondContact OD1-O 2.75Å
217A96.5Very high96.3Very high95 Ų9538.4 Ų38.479%0.78524%0.242SC*.THydrogen-bonded Turntrans-64.4-15.7-178.200000115
218V97.1Very high96.2Very high50 Ų5038.6 Ų38.630%0.30325%0.248SC..THydrogen-bonded Turntrans-92.6-28.1179.3-169.70000111.5T32 L137 R139 N216T32-V218 HydrophobicContact CG2-CG1 3.83Å; L137-V218 HydrophobicContact CB-CG2 3.58Å; L137-V218 HydrophobicContact CD1-CG2 4.45Å; R139-V218 HydrophobicContact CB-CB 4.39Å; R139-V218 HydrophobicContact CB-CG1 4.22Å; N216-V218 PolarHBondContact O-N 3.03Å; N216-V218 VanDerWaalsContact O-N 3.16Å; N216-V218 WeakPolarHBondContact OD1-CA 3.49Å; N216-V218 WeakPolarHBondContact OD1-CB 3.25Å; N216-V218 PolarHBondContact OD1-N 3.23Å
219G97.4Very high95.5Very high21 Ų2143.3 Ų43.322%0.21626%0.263CS..EExtended strand (participates in β ladder)trans158.2-164.2177.200000112.8P140 N216P140-G219 WeakPolarHBondContact CD-O 3.44Å; N216-G219 PolarHBondContact N-O 3.06Å; N216-G219 PolarHBondContact O-N 2.88Å; N216-G219 PolarHBondContact OD1-N 3.46Å; N216-G219 PolarHBondContact OD1-O 2.75Å
220S98Very high94Very high49 Ų4946.4 Ų46.434%0.34328%0.278SS..EExtended strand (participates in β ladder)trans-132.3164.1-176.959.10000113.5R139 A214R139-S220 PolarHBondContact NH2-O 3.03Å; A214-S220 CarbonylContact O-C 3.51Å; A214-S220 WeakPolarHBondContact O-CA 3.47Å; A214-S220 WeakPolarHBondContact O-CB 3.21Å
221A98.3Very high92Very high14 Ų1452.7 Ų52.712%0.11631%0.311CS..EExtended strand (participates in β ladder)trans-146.8151.717000000109.5P140 S141 A214P140-A221 HydrophobicContact CB-CB 4.47Å; P140-A221 WeakPolarHBondContact O-CB 3.31Å; S141-A221 WeakPolarHBondContact O-CB 3.3Å; A214-A221 PolarHBondContact N-O 2.98Å; A214-A221 PolarHBondContact O-N 2.64Å
222T98.1Very high89.8Confident79 Ų7953.6 Ų53.649%0.48532%0.323SS..EExtended strand (participates in β ladder)trans-128.7149.5-170.654.40000112.6C212C212-T222 CarbonylContact O-C 3.47Å; C212-T222 WeakPolarHBondContact O-CA 3.48Å; C212-T222 VanDerWaalsContact O-CB 3.32Å; C212-T222 WeakPolarHBondContact O-CB 3.27Å
223C97.9Very high87.9Confident16 Ų1660 Ų6011%0.10836%0.357CS..EExtended strand (participates in β ladder)trans-130154.6164.155.10000110.3P143 C145 C211 C212P143-C223 HydrophobicContact CG-CB 4.03Å; P143-C223 VanDerWaalsContact CG-SG 3.57Å; P143-C223 VanDerWaalsContact O-CB 3.23Å; P143-C223 WeakPolarHBondContact O-CB 3.1Å; P143-C223 PolarHBondContact O-SG 3.2Å; C145-C223 HydrophobicContact CB-CB 3.85Å; C145-C223 WeakPolarHBondContact CB-SG 3.47Å; C145-C223 PolarHBondContact N-SG 2.86Å; C145-C223 VanDerWaalsContact N-SG 3.37Å; C145-C223 VanDerWaalsContact SG-C 3.56Å; C145-C223 WeakPolarHBondContact SG-CB 3.43Å; C145-C223 CovalentContact SG-SG 2.03Å; C145-C223 PolarHBondContact SG-SG 2.99Å; C211-C223 WeakPolarHBondContact CA-O 3.29Å; C212-C223 PolarHBondContact N-O 3.35Å; C212-C223 PolarHBondContact O-N 2.92Å
224T96.8Very high85.8Confident76 Ų7661.6 Ų61.647%0.46638%0.378SS..EExtended strand (participates in β ladder)trans-114.2153.9169.162.20000110.8E209 Y210 C211E209-T224 HydrophobicContact CG-CG2 4.4Å; E209-T224 WeakPolarHBondContact OE1-CB 3.37Å; E209-T224 WeakPolarHBondContact OE1-CG2 3.33Å; E209-T224 PolarHBondContact OE1-OG1 2.89Å; Y210-T224 CarbonylContact O-C 3.6Å; Y210-T224 VanDerWaalsContact O-CA 3.23Å; Y210-T224 WeakPolarHBondContact O-CA 3.33Å; C211-T224 HydrophobicContact CB-CG2 3.88Å
225V95.4Very high84Confident20 Ų2064.3 Ų64.312%0.12140%0.4CS..EExtended strand (participates in β ladder)trans-145.4138.217460.10000109C145 V147 L159 W174 Y210C145-V225 HydrophobicContact CB-CB 3.83Å; C145-V225 HydrophobicContact CB-CG1 4.03Å; V147-V225 HydrophobicContact CG2-CG2 3.56Å; L159-V225 HydrophobicContact CD1-CG1 4.17Å; L159-V225 HydrophobicContact CD2-CG1 4.26Å; W174-V225 HydrophobicContact CH2-CG1 4Å; W174-V225 HydrophobicContact CZ3-CG1 3.92Å; Y210-V225 PolarHBondContact N-O 2.84Å; Y210-V225 PolarHBondContact O-N 3.5Å
226E93.6Very high82.2Confident140 Ų14066.9 Ų66.965%0.65441%0.41SS*.EExtended strand (participates in β ladder)trans-89.8125.8173.8-173171.5-174.500109.4
227L91.1Very high80.5Confident1 Ų168 Ų681%0.00542%0.422CS..EExtended strand (participates in β ladder)trans-99109.4170.4178.448.1000107.2V147 V151 V157 L159 F199 I202 F207 G208 Y210V147-L227 HydrophobicContact CG1-CD1 3.91Å; V151-L227 HydrophobicContact CG2-CD1 4.36Å; V157-L227 HydrophobicContact CG1-CD1 3.91Å; L159-L227 HydrophobicContact CD1-CD2 4.34Å; L159-L227 HydrophobicContact CD2-CB 4.46Å; L159-L227 HydrophobicContact CD2-CD2 4.31Å; L159-L227 HydrophobicContact CG-CD2 4.48Å; F199-L227 HydrophobicContact CD2-CD2 4.04Å; F199-L227 HydrophobicContact CE2-CD2 3.82Å; F199-L227 HydrophobicContact CZ-CD2 4.49Å; I202-L227 HydrophobicContact CD1-CD1 4.06Å; I202-L227 HydrophobicContact CD1-CD2 3.79Å; I202-L227 HydrophobicContact CD1-CG 4.09Å; F207-L227 CarbonylContact C-O 3.56Å; F207-L227 WeakPolarHBondContact CA-O 3.35Å; F207-L227 WeakPolarHBondContact CB-O 3.47Å; F207-L227 HydrophobicContact CD1-CD1 4.44Å; F207-L227 HydrophobicContact CD1-CG 4.04Å; F207-L227 WeakPolarHBondContact CD1-O 3.3Å; F207-L227 HydrophobicContact CE1-CD1 4.45Å; F207-L227 HydrophobicContact CE1-CG 4.45Å; G208-L227 PolarHBondContact N-O 2.84Å; G208-L227 PolarHBondContact O-N 3.32Å; Y210-L227 HydrophobicContact CD2-CB 3.9Å; Y210-L227 HydrophobicContact CD2-CD2 4.46Å; Y210-L227 HydrophobicContact CE2-CB 3.85Å; Y210-L227 HydrophobicContact CE2-CD2 3.92Å; Y210-L227 HydrophobicContact CE2-CG 4.43Å
228S87.3Confident79.4Confident38 Ų3865.5 Ų65.527%0.26641%0.405SS..  trans-133.3166.1-177.171.10000111.5E230S228-E230 VanDerWaalsContact C-N 3.3Å; S228-E230 PolarHBondContact O-N 2.78Å
229H76.7Confident78.5Confident121 Ų12166.4 Ų66.456%0.5642%0.418SS*.  trans-68.490.6158.9-72.6-69.5000108.4F207 L231F207-H229 AromaticContact CD2-CD2 3.85Å; F207-H229 AromaticContact CD2-NE2 3.98Å; F207-H229 AromaticContact CE2-CD2 3.38Å; F207-H229 WeakPolarHBondContact CE2-CD2 3.41Å; F207-H229 AromaticContact CE2-CE1 3.41Å; F207-H229 VanDerWaalsContact CE2-CE1 3.41Å; F207-H229 WeakPolarHBondContact CE2-CE1 3.45Å; F207-H229 AromaticContact CE2-CG 3.74Å; F207-H229 AromaticContact CE2-ND1 3.75Å; F207-H229 AromaticContact CE2-NE2 3.18Å; F207-H229 WeakPolarHBondContact CE2-NE2 3.4Å; F207-H229 AromaticContact CZ-CD2 3.99Å; F207-H229 AromaticContact CZ-CE1 3.62Å; F207-H229 AromaticContact CZ-CG 3.86Å; F207-H229 AromaticContact CZ-ND1 3.62Å; F207-H229 AromaticContact CZ-NE2 3.87Å; H229-L231 PolarHBondContact O-N 2.85Å
230E65.4Low78Confident143 Ų14369.2 Ų69.267%0.66843%0.431SS*.  trans-62.8108.2171-72.1-15916200109.3S228 G232S228-E230 VanDerWaalsContact C-N 3.3Å; S228-E230 PolarHBondContact O-N 2.78Å; E230-G232 PolarHBondContact O-N 2.97Å
231L54.3Low77.4Confident133 Ų13371.5 Ų71.570%0.69644%0.438SS*.  trans-62.286.2162.3-79.4156.3000107H229H229-L231 PolarHBondContact O-N 2.85Å
232G50.7Low77Confident35 Ų3572.9 Ų72.936%0.36145%0.454SS..  trans-50.5143.7-167.100000112.3E230 G234 A235E230-G232 PolarHBondContact O-N 2.97Å; G232-G234 PolarHBondContact O-N 2.99Å; G232-A235 WeakPolarHBondContact O-CB 3.29Å; G232-A235 PolarHBondContact O-N 2.85Å
233D57.8Low76.8Confident136 Ų13672.4 Ų72.473%0.72746%0.458SS*.Hα-helixtrans-49.3-25.6-171.7-74.8-33.2000114.5A235 I236 A237D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 2.85Å; D233-I236 PolarHBondContact O-N 2.85Å; D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.45Å; D233-A237 PolarHBondContact O-N 3.49Å
234G55Low76.6Confident61 Ų6176.9 Ų76.963%0.62948%0.48SS*.Hα-helixtrans-60.2-32.5171.900000115.1G232 G238G232-G234 PolarHBondContact O-N 2.99Å; G234-G238 WeakPolarHBondContact O-CA 3.17Å; G234-G238 PolarHBondContact O-N 3Å
235A59.8Low76.6Confident57 Ų5778.7 Ų78.747%0.47149%0.486SS..Hα-helixtrans-70.9-42.1174.900000111.5G232 D233 G238 A239G232-A235 WeakPolarHBondContact O-CB 3.29Å; G232-A235 PolarHBondContact O-N 2.85Å; D233-A235 VanDerWaalsContact C-N 3.33Å; D233-A235 PolarHBondContact O-N 2.85Å; A235-G238 PolarHBondContact O-N 2.84Å; A235-A239 WeakPolarHBondContact O-CB 3.47Å; A235-A239 PolarHBondContact O-N 2.82Å
236I62.3Low76.6Confident98 Ų9879.2 Ų79.250%0.50350%0.496SS..Hα-helixtrans-66.7-48.2176.5-56.3176.4000109.7D233 G238 A239 V240D233-I236 PolarHBondContact O-N 2.85Å; I236-G238 PolarHBondContact O-N 2.86Å; I236-A239 PolarHBondContact O-N 2.82Å; I236-V240 WeakPolarHBondContact O-CG2 3.45Å; I236-V240 PolarHBondContact O-N 2.81Å
237A61.9Low76.7Confident45 Ų4574.8 Ų74.837%0.37248%0.483SS..Hα-helixtrans-59.1-44.5174.600000111.9D233 V240 I241D233-A237 VanDerWaalsContact O-CB 3.29Å; D233-A237 WeakPolarHBondContact O-CB 3.45Å; D233-A237 PolarHBondContact O-N 3.49Å; A237-V240 PolarHBondContact O-N 2.83Å; A237-I241 HydrophobicContact CB-CD1 4.5Å; A237-I241 VanDerWaalsContact O-CB 3.3Å; A237-I241 WeakPolarHBondContact O-CB 3.36Å; A237-I241 WeakPolarHBondContact O-CD1 3.35Å; A237-I241 WeakPolarHBondContact O-CG1 3.35Å; A237-I241 PolarHBondContact O-N 3.49Å
238G71.9Confident76.9Confident43 Ų4378.7 Ų78.744%0.44351%0.507SS..Hα-helixtrans-61.5-44.3177.800000113.1G234 A235 I236 G242G234-G238 WeakPolarHBondContact O-CA 3.17Å; G234-G238 PolarHBondContact O-N 3Å; A235-G238 PolarHBondContact O-N 2.84Å; I236-G238 PolarHBondContact O-N 2.86Å; G238-G242 PolarHBondContact O-N 3.13Å
239A80.1Confident77.4Confident68 Ų6882 Ų8256%0.56252%0.521SS*.Hα-helixtrans-64.7-44.2176.900000112.3A235 I236 A243A235-A239 WeakPolarHBondContact O-CB 3.47Å; A235-A239 PolarHBondContact O-N 2.82Å; I236-A239 PolarHBondContact O-N 2.82Å; A239-A243 WeakPolarHBondContact O-CB 3.03Å; A239-A243 PolarHBondContact O-N 2.92Å
240V85.1Confident78.3Confident81 Ų8181 Ų8149%0.49152%0.518SS..Hα-helixtrans-66.6-46.8178.7172.80000111.4I236 A237 G242 A243 L244I236-V240 WeakPolarHBondContact O-CG2 3.45Å; I236-V240 PolarHBondContact O-N 2.81Å; A237-V240 PolarHBondContact O-N 2.83Å; V240-G242 PolarHBondContact O-N 2.82Å; V240-A243 PolarHBondContact O-N 2.83Å; V240-L244 HydrophobicContact CG1-CD1 3.95Å; V240-L244 WeakPolarHBondContact O-CB 3.2Å; V240-L244 VanDerWaalsContact O-CG 3.28Å; V240-L244 WeakPolarHBondContact O-CG 3.01Å; V240-L244 PolarHBondContact O-N 3.27Å
241I87Confident79.8Confident96 Ų9679.4 Ų79.449%0.49251%0.513SS..Hα-helixtrans-62.9-43177.4-67.5165.1000110.5A237 L244 L245A237-I241 HydrophobicContact CB-CD1 4.5Å; A237-I241 VanDerWaalsContact O-CB 3.3Å; A237-I241 WeakPolarHBondContact O-CB 3.36Å; A237-I241 WeakPolarHBondContact O-CD1 3.35Å; A237-I241 WeakPolarHBondContact O-CG1 3.35Å; A237-I241 PolarHBondContact O-N 3.49Å; I241-L244 PolarHBondContact O-N 3.35Å; I241-L245 HydrophobicContact CG2-CD1 3.85Å; I241-L245 HydrophobicContact CG2-CG 4.34Å; I241-L245 WeakPolarHBondContact O-CB 3.48Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 2.96Å
242G88.4Confident81.7Confident43 Ų4377.9 Ų77.944%0.44351%0.505SS..Hα-helixtrans-60.5-45176.500000113G238 V240 G246G238-G242 PolarHBondContact O-N 3.13Å; V240-G242 PolarHBondContact O-N 2.82Å; G242-G246 PolarHBondContact O-N 3.24Å
243A93.8Very high83.9Confident69 Ų6980.7 Ų80.757%0.5751%0.511SS*.Hα-helixtrans-63.6-43.1176.600000112.4A239 V240 G246 A247A239-A243 WeakPolarHBondContact O-CB 3.03Å; A239-A243 PolarHBondContact O-N 2.92Å; V240-A243 PolarHBondContact O-N 2.83Å; A243-G246 PolarHBondContact O-N 2.68Å; A243-A247 WeakPolarHBondContact O-CB 3.28Å; A243-A247 PolarHBondContact O-N 3.31Å
244L94.7Very high85.7Confident110 Ų11078.9 Ų78.958%0.57650%0.501SS*.Hα-helixtrans-63.6-46.5177.5-71.9170.4000112.1V240 I241 A247 V248V240-L244 HydrophobicContact CG1-CD1 3.95Å; V240-L244 WeakPolarHBondContact O-CB 3.2Å; V240-L244 VanDerWaalsContact O-CG 3.28Å; V240-L244 WeakPolarHBondContact O-CG 3.01Å; V240-L244 PolarHBondContact O-N 3.27Å; I241-L244 PolarHBondContact O-N 3.35Å; L244-A247 PolarHBondContact O-N 2.91Å; L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 2.72Å; L244-V248 VanDerWaalsContact O-N 3.08Å
245L95.6Very high87.5Confident115 Ų11583.2 Ų83.260%0.60250%0.498SS*.Hα-helixtrans-64-41.3177-70174.5000111.7I241 V248 L249I241-L245 HydrophobicContact CG2-CD1 3.85Å; I241-L245 HydrophobicContact CG2-CG 4.34Å; I241-L245 WeakPolarHBondContact O-CB 3.48Å; I241-L245 WeakPolarHBondContact O-CG 3.31Å; I241-L245 PolarHBondContact O-N 2.96Å; L245-V248 PolarHBondContact O-N 2.74Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 PolarHBondContact O-N 2.86Å
246G95.4Very high89.2Confident31 Ų3187 Ų8732%0.3250%0.504SS..Hα-helixtrans-59.3-45.7174.400000112.6G242 A243 L249 I250G242-G246 PolarHBondContact O-N 3.24Å; A243-G246 PolarHBondContact O-N 2.68Å; G246-L249 PolarHBondContact O-N 3.11Å; G246-I250 VanDerWaalsContact O-CG1 3.32Å; G246-I250 WeakPolarHBondContact O-CG1 3.22Å; G246-I250 PolarHBondContact O-N 3.12Å
247A96.1Very high90.6Very high47 Ų4788 Ų8839%0.38851%0.508SS..Hα-helixtrans-61.9-44.4177.600000112.6A243 L244 L249 I250 I251A243-A247 WeakPolarHBondContact O-CB 3.28Å; A243-A247 PolarHBondContact O-N 3.31Å; L244-A247 PolarHBondContact O-N 2.91Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.19Å; A247-I250 PolarHBondContact O-N 3.32Å; A247-I251 VanDerWaalsContact O-CG1 3.31Å; A247-I251 WeakPolarHBondContact O-CG1 3.32Å; A247-I251 PolarHBondContact O-N 2.91Å
248V96.5Very high92Very high83 Ų8389.8 Ų89.850%0.50352%0.515SS..Hα-helixtrans-60.6-42.9176.1171.70000111.3L244 L245 I251 L252L244-V248 WeakPolarHBondContact O-CG2 3.45Å; L244-V248 PolarHBondContact O-N 2.72Å; L244-V248 VanDerWaalsContact O-N 3.08Å; L245-V248 PolarHBondContact O-N 2.74Å; V248-I251 PolarHBondContact O-N 3.1Å; V248-L252 HydrophobicContact CG1-CD1 4.16Å; V248-L252 WeakPolarHBondContact O-CG 3.22Å; V248-L252 PolarHBondContact O-N 3.01Å
249L96.3Very high92.6Very high106 Ų10692 Ų9256%0.55551%0.513SS*.Hα-helixtrans-65.7-40.4-179.7-151.5159.8000111.4L245 G246 A247 L252 I253L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 PolarHBondContact O-N 2.86Å; G246-L249 PolarHBondContact O-N 3.11Å; A247-L249 VanDerWaalsContact C-N 3.33Å; A247-L249 PolarHBondContact O-N 3.19Å; L249-L252 PolarHBondContact O-N 2.03Å; L249-I253 HydrophobicContact CD2-CD1 3.55Å; L249-I253 HydrophobicContact CD2-CG1 4.14Å; L249-I253 WeakPolarHBondContact O-CG1 3.3Å; L249-I253 PolarHBondContact O-N 3Å
250I96.6Very high92.4Very high100 Ų10090.8 Ų90.851%0.51350%0.501SS..Hα-helixtrans-61.5-44.8172.8-68.4164.1000111.3G246 A247 L252 I253 I254G246-I250 VanDerWaalsContact O-CG1 3.32Å; G246-I250 WeakPolarHBondContact O-CG1 3.22Å; G246-I250 PolarHBondContact O-N 3.12Å; A247-I250 PolarHBondContact O-N 3.32Å; I250-L252 VanDerWaalsContact C-N 3.34Å; I250-L252 PolarHBondContact O-N 2.89Å; I250-I253 PolarHBondContact O-N 2.97Å; I250-I254 HydrophobicContact CG2-CD1 3.78Å; I250-I254 HydrophobicContact CG2-CG1 4.47Å; I250-I254 WeakPolarHBondContact O-CG1 3.42Å; I250-I254 PolarHBondContact O-N 3Å
251I95.9Very high92Very high110 Ų11093 Ų9356%0.56451%0.507SS*.Hα-helixtrans-60.7-43177-68.8164.1000110.9A247 V248 I254 W255A247-I251 VanDerWaalsContact O-CG1 3.31Å; A247-I251 WeakPolarHBondContact O-CG1 3.32Å; A247-I251 PolarHBondContact O-N 2.91Å; V248-I251 PolarHBondContact O-N 3.1Å; I251-I254 PolarHBondContact O-N 2.87Å; I251-W255 VanDerWaalsContact O-CB 3.3Å; I251-W255 WeakPolarHBondContact O-CB 3.44Å; I251-W255 PolarHBondContact O-N 2.85Å
252L95.5Very high91.6Very high101 Ų10196 Ų9653%0.52952%0.517SS..Hα-helixtrans-64-39.1176.6-71.1173.5000112.4V248 L249 I250 W255 F256V248-L252 HydrophobicContact CG1-CD1 4.16Å; V248-L252 WeakPolarHBondContact O-CG 3.22Å; V248-L252 PolarHBondContact O-N 3.01Å; L249-L252 PolarHBondContact O-N 2.03Å; I250-L252 VanDerWaalsContact C-N 3.34Å; I250-L252 PolarHBondContact O-N 2.89Å; L252-W255 PolarHBondContact O-N 2.9Å; L252-F256 VanDerWaalsContact O-CB 3.27Å; L252-F256 WeakPolarHBondContact O-CB 3.24Å; L252-F256 PolarHBondContact O-N 2.82Å
253I95.6Very high90.8Very high94 Ų9499.9 Ų99.948%0.48252%0.521SS..Hα-helixtrans-64.1-47.2174.3-70.3168.3000110.8L249 I250 W255 F256 M257L249-I253 HydrophobicContact CD2-CD1 3.55Å; L249-I253 HydrophobicContact CD2-CG1 4.14Å; L249-I253 WeakPolarHBondContact O-CG1 3.3Å; L249-I253 PolarHBondContact O-N 3Å; I250-I253 PolarHBondContact O-N 2.97Å; I253-W255 VanDerWaalsContact C-N 3.34Å; I253-W255 PolarHBondContact O-N 2.92Å; I253-F256 PolarHBondContact O-N 3.32Å; I253-M257 HydrophobicContact CG2-CG 4.23Å; I253-M257 VanDerWaalsContact O-CB 3.32Å; I253-M257 WeakPolarHBondContact O-CB 3.34Å; I253-M257 WeakPolarHBondContact O-CG 3.43Å; I253-M257 PolarHBondContact O-N 3.48Å
254I95.4Very high89.5Confident99 Ų99102.9 Ų102.951%0.50852%0.524SS..Hα-helixtrans-62.9-42.4178.5-66.7167.7000110.7I250 I251 M257 T258I250-I254 HydrophobicContact CG2-CD1 3.78Å; I250-I254 HydrophobicContact CG2-CG1 4.47Å; I250-I254 WeakPolarHBondContact O-CG1 3.42Å; I250-I254 PolarHBondContact O-N 3Å; I251-I254 PolarHBondContact O-N 2.87Å; I254-M257 PolarHBondContact O-N 2.78Å; I254-T258 HydrophobicContact CG2-CG2 4.48Å; I254-T258 WeakPolarHBondContact O-CB 3.39Å; I254-T258 WeakPolarHBondContact O-CG2 3.32Å; I254-T258 PolarHBondContact O-N 3.35Å; I254-T258 PolarHBondContact O-OG1 3.4Å
255W94.6Very high88Confident152 Ų152105.5 Ų105.558%0.57653%0.53SS*.Hα-helixtrans-63.1-44.6175.1-179.486.4000111.9I251 L252 I253 T258 H259I251-W255 VanDerWaalsContact O-CB 3.3Å; I251-W255 WeakPolarHBondContact O-CB 3.44Å; I251-W255 PolarHBondContact O-N 2.85Å; L252-W255 PolarHBondContact O-N 2.9Å; I253-W255 VanDerWaalsContact C-N 3.34Å; I253-W255 PolarHBondContact O-N 2.92Å; W255-T258 WeakPolarHBondContact CA-OG1 3.26Å; W255-T258 PolarHBondContact O-N 2.93Å; W255-T258 PolarHBondContact O-OG1 3.19Å; W255-T258 VanDerWaalsContact O-OG1 3.07Å; W255-H259 WeakPolarHBondContact O-CB 3.45Å; W255-H259 PolarHBondContact O-N 3Å
256F94.2Very high86.3Confident136 Ų136102.9 Ų102.960%0.59652%0.522SS*.Hα-helixtrans-64.8-43.2177.4-177.4-95000112.2L252 I253 S260L252-F256 VanDerWaalsContact O-CB 3.27Å; L252-F256 WeakPolarHBondContact O-CB 3.24Å; L252-F256 PolarHBondContact O-N 2.82Å; I253-F256 PolarHBondContact O-N 3.32Å; F256-S260 WeakPolarHBondContact O-CB 3.24Å; F256-S260 PolarHBondContact O-N 3.03Å; F256-S260 PolarHBondContact O-OG 2.7Å
257M91.6Very high84.6Confident118 Ų118108 Ų10858%0.58154%0.535SS*.Hα-helixtrans-56.9-57.2174-74-91.2-82.800110.4I253 I254 H259 S260 M261I253-M257 HydrophobicContact CG2-CG 4.23Å; I253-M257 VanDerWaalsContact O-CB 3.32Å; I253-M257 WeakPolarHBondContact O-CB 3.34Å; I253-M257 WeakPolarHBondContact O-CG 3.43Å; I253-M257 PolarHBondContact O-N 3.48Å; I254-M257 PolarHBondContact O-N 2.78Å; M257-H259 PolarHBondContact O-N 2.59Å; M257-S260 PolarHBondContact O-N 2.95Å; M257-S260 PolarHBondContact O-OG 3.32Å; M257-M261 WeakPolarHBondContact O-CG 3.37Å; M257-M261 PolarHBondContact O-N 2.9Å
258T90.9Very high82.8Confident84 Ų84108.6 Ų108.652%0.51554%0.54SS..Hα-helixtrans-63.7-39.9-178.753.30000112.9I254 W255 M261 K262I254-T258 HydrophobicContact CG2-CG2 4.48Å; I254-T258 WeakPolarHBondContact O-CB 3.39Å; I254-T258 WeakPolarHBondContact O-CG2 3.32Å; I254-T258 PolarHBondContact O-N 3.35Å; I254-T258 PolarHBondContact O-OG1 3.4Å; W255-T258 WeakPolarHBondContact CA-OG1 3.26Å; W255-T258 PolarHBondContact O-N 2.93Å; W255-T258 PolarHBondContact O-OG1 3.19Å; W255-T258 VanDerWaalsContact O-OG1 3.07Å; T258-M261 PolarHBondContact O-N 3.17Å; T258-K262 WeakPolarHBondContact O-CB 2.97Å; T258-K262 PolarHBondContact O-N 2.89Å
259H84.4Confident80.9Confident88 Ų88108.1 Ų108.141%0.40754%0.541SS..Hα-helixtrans-67.1-41.7175.7180-115.9000112.2W255 M257 K262 K263W255-H259 WeakPolarHBondContact O-CB 3.45Å; W255-H259 PolarHBondContact O-N 3Å; M257-H259 PolarHBondContact O-N 2.59Å; H259-K262 PolarHBondContact O-N 3.35Å; H259-K263 WeakPolarHBondContact O-CB 3.5Å; H259-K263 PolarHBondContact O-N 3.28Å
260S76.4Confident78.9Confident43 Ų43110.6 Ų110.630%0.30155%0.547SS..Hα-helixtrans-65.3-41.3175.776.30000111.5F256 M257 K262 K263 Q264F256-S260 WeakPolarHBondContact O-CB 3.24Å; F256-S260 PolarHBondContact O-N 3.03Å; F256-S260 PolarHBondContact O-OG 2.7Å; M257-S260 PolarHBondContact O-N 2.95Å; M257-S260 PolarHBondContact O-OG 3.32Å; S260-K262 VanDerWaalsContact C-N 3.34Å; S260-K262 PolarHBondContact O-N 2.77Å; S260-K263 PolarHBondContact O-N 2.95Å; S260-Q264 WeakPolarHBondContact O-CG 3.01Å; S260-Q264 PolarHBondContact O-N 2.94Å
261M77.4Confident76.8Confident128 Ų128109.7 Ų109.763%0.63155%0.554SS**Hα-helixtrans-61.2-40.8173.1-62.7-122.594.500111.7M257 T258 Q264 K265M257-M261 WeakPolarHBondContact O-CG 3.37Å; M257-M261 PolarHBondContact O-N 2.9Å; T258-M261 PolarHBondContact O-N 3.17Å; M261-Q264 PolarHBondContact O-N 3.48Å; M261-K265 WeakPolarHBondContact O-CG 3.38Å; M261-K265 PolarHBondContact O-N 2.92Å
262K77.9Confident74.5Confident159 Ų159110 Ų11069%0.69156%0.561SS**Hα-helixtrans-67.3-37.7175.7-163.1173.5-175.4178.30111.9T258 H259 S260 K265 S266T258-K262 WeakPolarHBondContact O-CB 2.97Å; T258-K262 PolarHBondContact O-N 2.89Å; H259-K262 PolarHBondContact O-N 3.35Å; S260-K262 VanDerWaalsContact C-N 3.34Å; S260-K262 PolarHBondContact O-N 2.77Å; K262-K265 PolarHBondContact O-N 2.69Å; K262-S266 WeakPolarHBondContact O-CB 3.4Å; K262-S266 PolarHBondContact O-N 3.28Å
263K72Confident72.2Confident124 Ų124113.2 Ų113.254%0.53957%0.573SS.*Hα-helixtrans-68-37.3174.6-168.1173.1-176.7175.80112.2H259 S260 S266 K267H259-K263 WeakPolarHBondContact O-CB 3.5Å; H259-K263 PolarHBondContact O-N 3.28Å; S260-K263 PolarHBondContact O-N 2.95Å; K263-S266 PolarHBondContact O-N 2.87Å; K263-K267 WeakPolarHBondContact O-CG 3.34Å; K263-K267 PolarHBondContact O-N 3.15Å
264Q65.7Low69.9Low132 Ų132117 Ų11762%0.61759%0.591SS**Hα-helixtrans-64.5-48.6171.4-70.9-72.412.800111.1S260 M261 S266 K267 A268S260-Q264 WeakPolarHBondContact O-CG 3.01Å; S260-Q264 PolarHBondContact O-N 2.94Å; M261-Q264 PolarHBondContact O-N 3.48Å; Q264-S266 VanDerWaalsContact C-N 3.31Å; Q264-S266 PolarHBondContact O-N 3.07Å; Q264-K267 PolarHBondContact O-N 2.81Å; Q264-K267 VanDerWaalsContact O-N 3.15Å; Q264-A268 WeakPolarHBondContact O-CB 3.44Å; Q264-A268 PolarHBondContact O-N 3.34Å
265K63.9Low67.4Low165 Ų165121.4 Ų121.472%0.71761%0.61SS**Hα-helixtrans-59.8-38.9175.1-74-176.9175.9-176.10112.7M261 K262 A268 S269M261-K265 WeakPolarHBondContact O-CG 3.38Å; M261-K265 PolarHBondContact O-N 2.92Å; K262-K265 PolarHBondContact O-N 2.69Å; K265-A268 PolarHBondContact O-N 2.87Å; K265-S269 PolarHBondContact O-N 2.79Å
266S59.7Low64.8Low60 Ų60119 Ų11942%0.4262%0.622SS.*Hα-helixtrans-66.1-34.4175.4-177.50000113.6K262 K263 Q264 S269 K270K262-S266 WeakPolarHBondContact O-CB 3.4Å; K262-S266 PolarHBondContact O-N 3.28Å; K263-S266 PolarHBondContact O-N 2.87Å; Q264-S266 VanDerWaalsContact C-N 3.31Å; Q264-S266 PolarHBondContact O-N 3.07Å; S266-S269 PolarHBondContact O-OG 3Å; S266-K270 WeakPolarHBondContact O-CG 3.44Å; S266-K270 PolarHBondContact O-N 2.98Å
267K59.1Low62.2Low139 Ų139120.6 Ų120.660%0.60464%0.635SS**Hα-helixtrans-73.8-39.1172.3-75.6-176.3172.7-1660112.1K263 Q264 K270 A271K263-K267 WeakPolarHBondContact O-CG 3.34Å; K263-K267 PolarHBondContact O-N 3.15Å; Q264-K267 PolarHBondContact O-N 2.81Å; Q264-K267 VanDerWaalsContact O-N 3.15Å; K267-K270 PolarHBondContact O-N 2.98Å; K267-A271 PolarHBondContact O-N 3.07Å
268A58.3Low60.1Low60 Ų60120.5 Ų120.550%0.49664%0.643SS.*Hα-helixtrans-62.8-44.9176.800000112Q264 K265 K270 A271 T272Q264-A268 WeakPolarHBondContact O-CB 3.44Å; Q264-A268 PolarHBondContact O-N 3.34Å; K265-A268 PolarHBondContact O-N 2.87Å; A268-K270 VanDerWaalsContact C-N 3.33Å; A268-K270 PolarHBondContact O-N 2.87Å; A268-A271 PolarHBondContact O-N 3.1Å; A268-T272 PolarHBondContact O-OG1 2.95Å
269S57.1Low57.6Low73 Ų73126.3 Ų126.351%0.5166%0.662SS.*Hα-helixtrans-65.9-35.3178.778.50000112.7K265 S266 A271 T272K265-S269 PolarHBondContact O-N 2.79Å; S266-S269 PolarHBondContact O-OG 3Å; S269-A271 VanDerWaalsContact C-N 3.31Å; S269-A271 PolarHBondContact O-N 2.81Å; S269-T272 PolarHBondContact O-N 2.93Å
270K54.4Low55.1Low158 Ų158127.6 Ų127.669%0.68768%0.681SS**Hα-helixtrans-72.2-18.3176.5-74.9-173.4173.9-166.60114.5S266 K267 A268S266-K270 WeakPolarHBondContact O-CG 3.44Å; S266-K270 PolarHBondContact O-N 2.98Å; K267-K270 PolarHBondContact O-N 2.98Å; A268-K270 VanDerWaalsContact C-N 3.33Å; A268-K270 PolarHBondContact O-N 2.87Å
271A52.9Low52.8Low80 Ų80130.4 Ų130.466%0.66170%0.7SS**Hα-helixtrans-81.9-24174.500000112.7K267 A268 S269K267-A271 PolarHBondContact O-N 3.07Å; A268-A271 PolarHBondContact O-N 3.1Å; S269-A271 VanDerWaalsContact C-N 3.31Å; S269-A271 PolarHBondContact O-N 2.81Å
272T48.4Very low50.8Low117 Ų117128.3 Ų128.372%0.71870%0.703SS**Hα-helixtrans-85.2-17.1-179.4-49.40000112.9A268 S269 M274A268-T272 PolarHBondContact O-OG1 2.95Å; S269-T272 PolarHBondContact O-N 2.93Å; T272-M274 PolarHBondContact O-N 2.95Å
273E45.3Very low48.6Very low168 Ų168127.1 Ų127.179%0.78571%0.709SS**THydrogen-bonded Turntrans-85.926.8-177.7-151.5178.6167.300114
274M47.3Very low46.8Very low173 Ų173127.6 Ų127.685%0.85272%0.722SS**THydrogen-bonded Turntrans-132.837.6175.5-162.3117.8108.700113.3T272T272-M274 PolarHBondContact O-N 2.95Å
275Q44.4Very low45.3Very low192 Ų192125.3 Ų125.390%0.89773%0.726SS**  trans-157.594163.1-115.2173.515.300111.9
276A39.6Very low43.8Very low102 Ų102128.3 Ų128.384%0.84374%0.735SS**  trans-153.9120166.400000111.9
277I38.6Very low42.6Very low170 Ų170135 Ų13587%0.87276%0.759SS**  trans-131.4138.5163.2-63.9-179.7000106.4
278P47.8Very low41.5Very low115 Ų115132.2 Ų132.275%0.74777%0.771SS**  trans-97.1141.5-158.835.4-35.7000117.4
279K39.5Very low40.4Very low207 Ų207136 Ų13690%0.979%0.787SS**  trans43.6121.5140.8-66.4-175177.1179.90122.5
280S30.3Very low40.2Very low115 Ų115137.6 Ų137.680%0.80480%0.796SS**  trans-166.5153.2141.7-146.90000108.1
281S29.7Very low39.4Very low101 Ų101135.5 Ų135.571%0.70680%0.796SS**  cis-173.4159.9-20.4410000110.3
282A34.5Very low38.6Very low85 Ų85141.1 Ų141.170%0.70280%0.8SS**  trans72.8116.7162.700000119
283T32.6Very low38Very low133 Ų133142.1 Ų142.182%0.81680%0.797SS**  69.5141.395.9-5.40000113.5
284V33.3Very low37.6Very low134 Ų134139 Ų13981%0.81279%0.794SS**  cis-147.6163.732.1-177.30000111.7
285A34.2Very low36.9Very low85 Ų85133.6 Ų133.670%0.70278%0.782SS**  trans-82.3169.7178.300000115.3
286Y33.6Very low36.6Very low228 Ų228132.6 Ų132.689%0.89478%0.777SS**  trans-152149.8138.445.2-93.7000111.6
287E33.9Very low36.6Very low199 Ų199135.4 Ų135.493%0.9377%0.773SS**  trans-83.7165.8-174.1-72163.997.200113.9
288G36.4Very low36.5Very low82 Ų82130.8 Ų130.885%0.84576%0.76SS**  trans-175.844.4-179.400000115.4
289V34Very low36Very low138 Ų138135.2 Ų135.284%0.83676%0.763SS**  trans-95.2158166.2170.50000106.6
290P53.1Low35.9Very low108 Ų108130.4 Ų130.470%0.70175%0.751SS**  cis-135.4-163.319.511.519.4000114.5
291T38Very low36.2Very low113 Ų113130.6 Ų130.669%0.69375%0.747SS**  cis-165.7153.5-2.716.40000110.4
292R35.9Very low36.8Very low198 Ų198131.3 Ų131.375%0.74775%0.752SS**  trans57.7155.4138.9-64168.289.5139.914.6119.1
293E35.9Very low36.8Very low138 Ų138131.3 Ų131.365%0.64576%0.76SS**  cis-158.7166.8-9.9-115.8160.2168.300106.1
294S36.1Very low37Very low104 Ų104128.7 Ų128.773%0.72776%0.76SS**  cis-140.6-178.910.2-101.50000108.5
295G33.1Very low37.5Very low58 Ų58128.7 Ų128.760%0.59876%0.76SS**  cis121.6122.48.100000111.3
296H39Very low38.4Very low171 Ų171130.4 Ų130.479%0.79276%0.764SS**  trans116105175.2-65.888.4000113.2
297Q38.3Very low38.4Very low162 Ų162127.9 Ų127.976%0.75776%0.762SS**  86.613551.6-175.2179.1-6.800111.6
298A37.3Very low38.6Very low72 Ų72122.3 Ų122.360%0.59575%0.75SS**  cis-171.1-166.8-19.600000108.1
299Y37Very low38.6Very low208 Ų208124 Ų12482%0.81674%0.744SS**  trans70.8152.4168.7-72.1-99.2000116.7
300V37.1Very low38.8Very low107 Ų107125 Ų12565%0.64875%0.745SS**  cis157.9135.6-26.5138.60000106.6
301T36.3Very low38.4Very low119 Ų119124.9 Ų124.973%0.7375%0.747SS**  trans50.2118.216553.40000121.5
302S42.6Very low38.5Very low116 Ų116127.8 Ų127.881%0.81175%0.752SS**  trans21.8114.3132.161.20000120.2
303G35.3Very low38.8Very low84 Ų84123.8 Ų123.887%0.86675%0.749SS**  trans-126.1157.6142.700000109.1
304G35.8Very low38.9Very low78 Ų78125 Ų12580%0.80475%0.754SS**  cis-173.5-170.90.700000112.6
305V44.8Very low39.1Very low134 Ų134123.7 Ų123.781%0.81275%0.746SS**  trans-109.7140.4173.4-172.20000107
306P51.9Low39.5Very low122 Ų122127.3 Ų127.379%0.79275%0.751SS**  -130.4153.3100.28.614.5000111.1
307M34.2Very low39.7Very low174 Ų174122.8 Ų122.886%0.85774%0.744SS**  cis78.512943.6-154179.9-169.900114.3
308A38.4Very low39.9Very low83 Ų83123.4 Ų123.469%0.68675%0.752SS**  trans89145.8154.800000118.2
309T37.3Very low40Very low117 Ų117123.5 Ų123.572%0.71876%0.76SS**  cis-172.9154-11.220.70000109.8
310N37.8Very low40.4Very low160 Ų160122.9 Ų122.986%0.85677%0.765SS**  trans60.9158.8157.4-68.1-6.7000117.9
311S45.2Very low40.7Very low104 Ų104129.4 Ų129.473%0.72778%0.778SS**  cis-137.2149.9847.10000109.9
312H38.6Very low41.2Very low174 Ų174128 Ų12881%0.80678%0.778SS**  50.5133.479.4-98.825.6000113
313V43.4Very low41.7Very low114 Ų114131.9 Ų131.969%0.69178%0.783SS**  cis-164.2157.59.795.60000111.7
314H37.4Very low42.5Very low163 Ų163135.9 Ų135.976%0.75581%0.808SS**  trans35.1123.6140.7-124.533.2000121.5
315S40.7Very low42.9Very low78 Ų78138.8 Ų138.855%0.54581%0.809SS.*  88.1160.998.9820000112.5
316D40.9Very low42.8Very low133 Ų133139.1 Ų139.171%0.71181%0.808SS**  cis-139.1153.33.1-84.2-64.5000107.3
317A44.3Very low42.3Very low77 Ų77140 Ų14064%0.63681%0.809SS**  56.7116.675.300000116.8
318D42.4Very low42.7Very low175 Ų175138 Ų13894%0.93681%0.806SS**  trans56.1152.3152.8-56.4-31.7000122.9
319G37.7Very low43Very low74 Ų74141.4 Ų141.476%0.76381%0.814SS**  trans134.359.4155.400000119.9
320E45.2Very low43.4Very low194 Ų194143.1 Ų143.191%0.90782%0.82SS**  trans16.3122131.5-172178159.500120.5
321R44.3Very low43.8Very low245 Ų245141.9 Ų141.993%0.92582%0.818SS**  trans-161.6152.1130.1-154.8154.8-176.7147.41.6114.6
322A47.9Very low43.7Very low89 Ų89144.8 Ų144.874%0.73683%0.825SS**  trans-78.5162-179.600000116
323E52.7Low44.1Very low198 Ų198142.3 Ų142.393%0.92583%0.826SS**  trans-172.2150.3145.9-101.6175.2-172.200106.7
324A52.4Low44.2Very low168 Ų168144.9 Ų144.9100%1.38884%0.839SS**  cis-154.20-10.600000109.1

Retrieved 324 of 324 residues in 274.9 ms (Link to these results)