A0A060Y3D4_ONCMY Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A060Y3D4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene rab5c, Length 219 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low43.1Very low244 Ų244143.1 Ų143.1100%1.20286%0.856SS**  0126.60-101.4176.7164.500108.4
2A41.8Very low43.1Very low108 Ų108136.8 Ų136.889%0.89384%0.842SS**  trans38.2123.9158.100000119.2
3G46.1Very low43.6Very low69 Ų69133.4 Ų133.471%0.71184%0.836SS**  cis107140.229.900000110.4
4R44.3Very low43.8Very low257 Ų257130.4 Ų130.497%0.9783%0.83SS**  trans101.3101173.9-59.1173.2170.4-160.1-4.4113.2
5G37.7Very low44.5Very low79 Ų79128.1 Ų128.181%0.81483%0.828SS**  cis99.177.337.900000108.1
6G40.4Very low45.6Very low67 Ų67126.9 Ų126.969%0.69182%0.824SS**PPolyproline II helixtrans-65.7148.5174.800000110.7A8G6-A8 PolarHBondContact O-N 3.1Å; G6-A8 VanDerWaalsContact O-N 3.1Å
7P43.3Very low46.8Very low130 Ų130124.8 Ų124.884%0.84480%0.804SS**PPolyproline II helixtrans-66.4117.3-175.827.1-31.3000109.1R9P7-R9 PolarHBondContact O-N 3.16Å; P7-R9 VanDerWaalsContact O-N 3.16Å
8A47Very low48.8Very low86 Ų86121.7 Ų121.771%0.71178%0.776SS**PPolyproline II helixtrans-54.7119.6163.100000107.5G6 T10G6-A8 PolarHBondContact O-N 3.1Å; G6-A8 VanDerWaalsContact O-N 3.1Å; A8-T10 VanDerWaalsContact C-N 3.31Å; A8-T10 PolarHBondContact O-N 2.91Å
9R43.5Very low50.9Low242 Ų242121.3 Ų121.391%0.91377%0.766SS**  trans-62.6101.2164.1-71.4-177.6172.9176.3-2.2106.1P7 N11P7-R9 PolarHBondContact O-N 3.16Å; P7-R9 VanDerWaalsContact O-N 3.16Å; R9-N11 PolarHBondContact O-N 2.79Å
10T47.3Very low52.9Low129 Ų129115.5 Ų115.579%0.79173%0.729SS**  trans-58.9108166.748.60000106.3A8 G12A8-T10 VanDerWaalsContact C-N 3.31Å; A8-T10 PolarHBondContact O-N 2.91Å; T10-G12 PolarHBondContact O-N 2.99Å
11N42Very low54.9Low163 Ų163113.9 Ų113.987%0.87271%0.713SS**  trans-58.989.8159.5-106.8-0.3000105.9R9 A13R9-N11 PolarHBondContact O-N 2.79Å; N11-A13 PolarHBondContact O-N 2.9Å
12G43.7Very low57.6Low67 Ų67103 Ų10369%0.69166%0.659SS**  trans-61.896.2156.200000104.9T10 A14T10-G12 PolarHBondContact O-N 2.99Å; G12-A14 PolarHBondContact O-N 2.83Å
13A48.8Very low60.2Low93 Ų9399.6 Ų99.677%0.76962%0.624SS**  trans-54.7103.3162.800000104.8N11 A15N11-A13 PolarHBondContact O-N 2.9Å; A13-A15 PolarHBondContact O-N 2.76Å
14A47.4Very low62.6Low91 Ų9196.3 Ų96.375%0.75259%0.59SS**  trans-51.3114.8168.200000104.7G12 S16G12-A14 PolarHBondContact O-N 2.83Å; A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 2.94Å
15A54.6Low65.2Low96 Ų9684 Ų8479%0.79354%0.544SS*.  trans-54.2103.6176.500000105.8A13 N17A13-A15 PolarHBondContact O-N 2.76Å; A15-N17 PolarHBondContact O-N 2.92Å
16S60.6Low68.1Low110 Ų11080.3 Ų80.377%0.76951%0.505SS*.  trans-67.1105178.244.20000104.8A14 K18A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 2.94Å; S16-K18 VanDerWaalsContact C-N 3.34Å; S16-K18 PolarHBondContact O-N 2.8Å
17N66.8Low70.8Confident90 Ų9077.1 Ų77.148%0.48147%0.472SS..  trans-62.1100.6-178-160.6-10.6000107.1A15 I19 T69A15-N17 PolarHBondContact O-N 2.92Å; N17-I19 PolarHBondContact O-N 3.35Å; N17-T69 PolarHBondContact ND2-OG1 3.05Å; N17-T69 PolarHBondContact OD1-N 3.09Å; N17-T69 PolarHBondContact OD1-OG1 3.45Å
18K83.1Confident73.3Confident70 Ų7071 Ų7130%0.30443%0.433SS..EExtended strand (participates in β ladder)trans-67.5123.7-171.4-173.7178-175.9177.40107.7S16 T68 T69 K184 N185S16-K18 VanDerWaalsContact C-N 3.34Å; S16-K18 PolarHBondContact O-N 2.8Å; K18-T68 HydrophobicContact CB-CG2 4.38Å; K18-T68 CarbonylContact O-C 3.54Å; K18-T68 WeakPolarHBondContact O-CA 3.46Å; K18-T68 VanDerWaalsContact O-CG2 3.22Å; K18-T68 WeakPolarHBondContact O-CG2 3.29Å; K18-T69 PolarHBondContact O-N 3.17Å; K18-K184 WeakPolarHBondContact CE-O 3.33Å; K18-K184 PolarHBondContact NZ-O 3.02Å; K18-N185 PolarHBondContact NZ-O 3.16Å
19I88.5Confident75.7Confident114 Ų11470 Ų7059%0.58541%0.413SS*.EExtended strand (participates in β ladder)trans-95.8118.2175.2-53.3179.3000108.1N17 T69N17-I19 PolarHBondContact O-N 3.35Å; I19-T69 CarbonylContact C-O 3.53Å; I19-T69 VanDerWaalsContact CA-O 3.3Å; I19-T69 WeakPolarHBondContact CA-O 3.27Å; I19-T69 HydrophobicContact CG1-CG2 4.46Å
20C91.5Very high78.1Confident4 Ų459.8 Ų59.83%0.02738%0.379CS..EExtended strand (participates in β ladder)trans-110.6138.3173.7-65.90000109.3F22 T68 T69 V70 K71C20-F22 HydrophobicContact CB-CD2 4.32Å; C20-F22 HydrophobicContact CB-CE2 3.5Å; C20-F22 HydrophobicContact CB-CZ 3.87Å; C20-T68 HydrophobicContact CB-CG2 4.47Å; C20-T69 PolarHBondContact N-O 3.48Å; C20-V70 CarbonylContact O-C 3.55Å; C20-V70 WeakPolarHBondContact O-CA 3.38Å; C20-K71 PolarHBondContact O-N 2.92Å
21Q94.4Very high80.3Confident82 Ų8257.5 Ų57.538%0.38337%0.373SS..EExtended strand (participates in β ladder)trans-113.8129.7179.6-172.8169.811.300109.6K71 E73Q21-K71 WeakPolarHBondContact CA-O 3.27Å; Q21-K71 HydrophobicContact CG-CB 4.5Å; Q21-K71 HydrophobicContact CG-CD 4.46Å; Q21-E73 HydrophobicContact CG-CG 4.03Å; Q21-E73 PolarHBondContact NE2-OE1 3.28Å
22F95.9Very high82.9Confident16 Ų1649.7 Ų49.77%0.0733%0.331CS..EExtended strand (participates in β ladder)trans-133.1134.1-178.7-61.9-73.4000111C20 V70 K71 F72 E73 Q95 L182 P183C20-F22 HydrophobicContact CB-CD2 4.32Å; C20-F22 HydrophobicContact CB-CE2 3.5Å; C20-F22 HydrophobicContact CB-CZ 3.87Å; F22-V70 HydrophobicContact CD2-CG1 3.81Å; F22-V70 HydrophobicContact CE2-CG1 4.34Å; F22-V70 HydrophobicContact CE2-CG2 4.31Å; F22-K71 PolarHBondContact N-O 3.29Å; F22-F72 HydrophobicContact CB-CD1 4.43Å; F22-F72 WeakPolarHBondContact O-CA 3.24Å; F22-E73 PolarHBondContact O-N 2.8Å; F22-Q95 HydrophobicContact CD1-CB 3.98Å; F22-Q95 HydrophobicContact CD1-CG 3.98Å; F22-L182 HydrophobicContact CB-CD1 3.89Å; F22-L182 HydrophobicContact CD1-CD1 4.24Å; F22-L182 HydrophobicContact CD1-CD2 4.24Å; F22-L182 HydrophobicContact CD2-CB 4.26Å; F22-L182 HydrophobicContact CD2-CD1 3.67Å; F22-L182 HydrophobicContact CE1-CB 4.23Å; F22-L182 HydrophobicContact CE2-CB 3.96Å; F22-L182 HydrophobicContact CE2-CD1 4.22Å; F22-L182 HydrophobicContact CG-CD1 3.68Å; F22-L182 HydrophobicContact CG-CD2 4.48Å; F22-L182 HydrophobicContact CG-CG 4.46Å; F22-L182 HydrophobicContact CZ-CB 3.94Å; F22-P183 WeakPolarHBondContact CZ-O 3.17Å
23K96.8Very high85.4Confident36 Ų3647.1 Ų47.116%0.15731%0.305CS..EExtended strand (participates in β ladder)trans-79124.5170.7-178.8178.4174.3-175.80109.2E73 Y90 R92 A94 Q95 A96K23-E73 WeakPolarHBondContact CA-O 3.47Å; K23-Y90 WeakPolarHBondContact CE-O 3.46Å; K23-Y90 PolarHBondContact NZ-O 2.83Å; K23-R92 PolarHBondContact NZ-O 3.44Å; K23-A94 HydrophobicContact CD-CB 4.38Å; K23-A94 HydrophobicContact CG-CB 4.18Å; K23-Q95 PolarHBondContact O-N 3.1Å; K23-Q95 PolarHBondContact O-OE1 3.47Å; K23-A96 PolarHBondContact O-N 2.87Å
24L97.7Very high87.7Confident0 Ų043.1 Ų43.10%027%0.27CS..EExtended strand (participates in β ladder)trans-121.8133.1177.4-176.5153.6000108.9L26 F72 E73 I74 W75 A96 I98 F175 I178L24-L26 HydrophobicContact CD2-CD1 3.62Å; L24-L26 HydrophobicContact CD2-CG 4.41Å; L24-F72 HydrophobicContact CB-CD1 4.02Å; L24-F72 HydrophobicContact CD1-CD1 3.91Å; L24-F72 HydrophobicContact CD1-CE1 3.86Å; L24-F72 HydrophobicContact CD1-CZ 4.41Å; L24-E73 PolarHBondContact N-O 2.82Å; L24-E73 VanDerWaalsContact O-O 3.11Å; L24-I74 HydrophobicContact CD2-CG2 4.13Å; L24-I74 CarbonylContact O-C 3.57Å; L24-I74 WeakPolarHBondContact O-CA 3.2Å; L24-W75 PolarHBondContact O-N 3.42Å; L24-A96 WeakPolarHBondContact CA-O 3.18Å; L24-A96 HydrophobicContact CB-CB 4.35Å; L24-A96 HydrophobicContact CD1-CB 4.12Å; L24-A96 HydrophobicContact CG-CB 4.13Å; L24-I98 HydrophobicContact CD1-CD1 4.16Å; L24-I98 HydrophobicContact CD1-CG1 4.31Å; L24-I98 HydrophobicContact CD2-CD1 4.06Å; L24-I98 HydrophobicContact CD2-CG1 4.13Å; L24-I98 HydrophobicContact CG-CG1 4.49Å; L24-F175 HydrophobicContact CD1-CD1 3.95Å; L24-F175 HydrophobicContact CD1-CE1 4.07Å; L24-F175 HydrophobicContact CD2-CE1 4.1Å; L24-I178 HydrophobicContact CD1-CD1 4.11Å; L24-I178 HydrophobicContact CD1-CG2 4.22Å
25V97.9Very high90.1Very high0 Ų039.8 Ų39.80%024%0.241CC..EExtended strand (participates in β ladder)trans-116.5140.4177.465.20000110.9L27 W75 T77 A94 A96 A97 I98V25-L27 HydrophobicContact CG1-CD1 4.47Å; V25-L27 HydrophobicContact CG2-CD2 4.3Å; V25-L27 HydrophobicContact CG2-CG 4.26Å; V25-W75 HydrophobicContact CB-CB 4.34Å; V25-W75 HydrophobicContact CG2-CB 4.12Å; V25-T77 HydrophobicContact CG2-CG2 3.8Å; V25-A94 HydrophobicContact CG1-CB 4.08Å; V25-A96 PolarHBondContact N-O 2.92Å; V25-A96 VanDerWaalsContact N-O 3.09Å; V25-A97 HydrophobicContact CG1-CB 3.75Å; V25-A97 CarbonylContact O-C 3.59Å; V25-A97 VanDerWaalsContact O-CA 3.27Å; V25-A97 WeakPolarHBondContact O-CA 3.46Å; V25-I98 PolarHBondContact O-N 3Å
26L97.9Very high92.1Very high0 Ų035.8 Ų35.80%021%0.207CC..EExtended strand (participates in β ladder)trans-100.7132.8169.2-72.586.5000109.8L24 K34 L37 V38 I74 W75 T77 I98 V100L24-L26 HydrophobicContact CD2-CD1 3.62Å; L24-L26 HydrophobicContact CD2-CG 4.41Å; L26-K34 HydrophobicContact CB-CB 4.3Å; L26-K34 HydrophobicContact CB-CD 4.24Å; L26-K34 HydrophobicContact CB-CG 4.48Å; L26-K34 HydrophobicContact CD2-CB 4.03Å; L26-L37 HydrophobicContact CD2-CD2 4.32Å; L26-V38 HydrophobicContact CD1-CG2 3.37Å; L26-V38 HydrophobicContact CD2-CG2 3.32Å; L26-V38 HydrophobicContact CG-CG2 3.96Å; L26-I74 HydrophobicContact CD1-CG2 3.34Å; L26-W75 PolarHBondContact N-O 2.7Å; L26-T77 WeakPolarHBondContact O-CB 3.33Å; L26-T77 WeakPolarHBondContact O-CG2 3.22Å; L26-T77 PolarHBondContact O-OG1 2.79Å; L26-I98 WeakPolarHBondContact CA-O 3.34Å; L26-I98 HydrophobicContact CG-CB 4.29Å; L26-V100 HydrophobicContact CD2-CG2 4.3Å
27L97.6Very high93.9Very high1 Ų130.6 Ų30.61%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-131.8158178.2-65.2170.4000109.7V25 T77 A87 Y91 I98 V99 V100 W115 L119V25-L27 HydrophobicContact CG1-CD1 4.47Å; V25-L27 HydrophobicContact CG2-CD2 4.3Å; V25-L27 HydrophobicContact CG2-CG 4.26Å; L27-T77 HydrophobicContact CD2-CG2 4.35Å; L27-A87 HydrophobicContact CD2-CB 4.36Å; L27-Y91 HydrophobicContact CD1-CD1 4.22Å; L27-I98 PolarHBondContact N-O 2.98Å; L27-V99 CarbonylContact O-C 3.44Å; L27-V99 WeakPolarHBondContact O-CA 3.34Å; L27-V100 PolarHBondContact O-N 2.83Å; L27-W115 HydrophobicContact CB-CD2 4.19Å; L27-W115 HydrophobicContact CB-CE3 4.43Å; L27-W115 HydrophobicContact CB-CG 4.31Å; L27-W115 HydrophobicContact CD1-CE3 4.02Å; L27-W115 HydrophobicContact CD1-CZ3 4.44Å; L27-W115 HydrophobicContact CD2-CE3 4.34Å; L27-W115 HydrophobicContact CD2-CH2 4.32Å; L27-W115 HydrophobicContact CD2-CZ3 4.16Å; L27-L119 HydrophobicContact CD1-CD1 4.01Å; L27-L119 HydrophobicContact CD1-CD2 3.72Å; L27-L119 HydrophobicContact CD1-CG 3.98Å
28G97Very high95.3Very high1 Ų126.3 Ų26.31%0.0115%0.148CC..  trans143167.1-175.300000111.9K34 G79 V100G28-K34 PolarHBondContact O-NZ 3.29Å; G28-G79 VanDerWaalsContact O-CA 3.27Å; G28-G79 WeakPolarHBondContact O-CA 3.39Å; G28-V100 WeakPolarHBondContact CA-O 3.44Å
29E95.9Very high96Very high66 Ų6623.9 Ų23.931%0.30814%0.138SC..  trans-63.7169.2-177.9-161.1-89.7128.800112.4V32 K34 T108E29-V32 HydrophobicContact CB-CG1 3.85Å; E29-V32 VanDerWaalsContact O-CG2 3.26Å; E29-V32 WeakPolarHBondContact O-CG2 3.33Å; E29-K34 PolarHBondContact O-NZ 3.44Å; E29-T108 HydrophobicContact CB-CG2 4.34Å; E29-T108 WeakPolarHBondContact OE2-CG2 3.48Å
30S93.9Very high96.4Very high26 Ų2621 Ų2118%0.18212%0.12CC..THydrogen-bonded Turntrans-62154.2175.3-164.20000110.5V32 G79S30-V32 PolarHBondContact O-N 2.85Å; S30-G79 PolarHBondContact N-O 2.86Å; S30-G79 VanDerWaalsContact N-O 3.12Å
31A94.3Very high96.7Very high81 Ų8121.3 Ų21.367%0.66912%0.121SC*.THydrogen-bonded Turntrans56.45.3174.300000118.3G33 K135A31-G33 PolarHBondContact O-N 3.45Å; A31-K135 WeakPolarHBondContact O-CE 3.3Å; A31-K135 PolarHBondContact O-NZ 3.38Å
32V97.1Very high96.7Very high0 Ų019 Ų190%011%0.112CC..SBendtrans-69-15173-57.20000112.8E29 S30 K34 V100 D102 T108 N134E29-V32 HydrophobicContact CB-CG1 3.85Å; E29-V32 VanDerWaalsContact O-CG2 3.26Å; E29-V32 WeakPolarHBondContact O-CG2 3.33Å; S30-V32 PolarHBondContact O-N 2.85Å; V32-K34 HydrophobicContact CG2-CD 4.42Å; V32-K34 HydrophobicContact CG2-CG 3.74Å; V32-V100 HydrophobicContact CB-CG1 4.32Å; V32-V100 HydrophobicContact CG2-CB 3.93Å; V32-V100 HydrophobicContact CG2-CG1 3.88Å; V32-D102 HydrophobicContact CG1-CB 4.42Å; V32-T108 HydrophobicContact CG1-CG2 3.82Å; V32-N134 PolarHBondContact O-ND2 3.21Å
33G96.6Very high96.6Very high13 Ų1324.3 Ų24.313%0.13414%0.135CC..SBendtrans98.525.7173.200000116A31 S36 L37A31-G33 PolarHBondContact O-N 3.45Å; G33-S36 PolarHBondContact O-N 2.86Å; G33-L37 WeakPolarHBondContact O-CB 3.26Å; G33-L37 PolarHBondContact O-N 3Å
34K97.2Very high96.5Very high9 Ų924.8 Ų24.84%0.03915%0.151CC..Hα-helixtrans-51.5-56.2174.1-59.8-174-62.1-76.90112.1L26 G28 E29 V32 S36 L37 V38 D76 T77 V100L26-K34 HydrophobicContact CB-CB 4.3Å; L26-K34 HydrophobicContact CB-CD 4.24Å; L26-K34 HydrophobicContact CB-CG 4.48Å; L26-K34 HydrophobicContact CD2-CB 4.03Å; G28-K34 PolarHBondContact O-NZ 3.29Å; E29-K34 PolarHBondContact O-NZ 3.44Å; V32-K34 HydrophobicContact CG2-CD 4.42Å; V32-K34 HydrophobicContact CG2-CG 3.74Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 3.42Å; K34-L37 WeakPolarHBondContact O-CB 3.38Å; K34-L37 PolarHBondContact O-N 3.22Å; K34-L37 VanDerWaalsContact O-N 3.1Å; K34-V38 WeakPolarHBondContact O-CG2 3.34Å; K34-V38 PolarHBondContact O-N 3.27Å; K34-D76 WeakPolarHBondContact CB-OD1 3.48Å; K34-T77 WeakPolarHBondContact CE-O 3.36Å; K34-V100 HydrophobicContact CG-CB 3.95Å; K34-V100 HydrophobicContact CG-CG2 3.95Å
35S97.1Very high96.4Very high20 Ų2029.2 Ų29.214%0.1417%0.171CC..Hα-helixtrans-61.5-41-179.3-460000112.6L37 V38 L39 T53 D76S35-L37 VanDerWaalsContact C-N 3.33Å; S35-L37 PolarHBondContact O-N 3.19Å; S35-V38 PolarHBondContact O-N 2.95Å; S35-L39 WeakPolarHBondContact O-CB 3.13Å; S35-L39 PolarHBondContact O-N 3.42Å; S35-T53 PolarHBondContact OG-OG1 3.22Å; S35-D76 WeakPolarHBondContact CA-OD2 3.42Å; S35-D76 WeakPolarHBondContact CB-OD2 3.3Å; S35-D76 PolarHBondContact N-OD1 2.85Å; S35-D76 PolarHBondContact OG-OD1 3.32Å; S35-D76 PolarHBondContact OG-OD2 3.48Å
36S97.4Very high96.2Very high13 Ų1332.3 Ų32.39%0.09119%0.185CC..Hα-helixtrans-64.4-37.6175.9-51.50000112.1G33 K34 R40G33-S36 PolarHBondContact O-N 2.86Å; K34-S36 VanDerWaalsContact C-N 3.34Å; K34-S36 PolarHBondContact O-N 3.42Å; S36-R40 VanDerWaalsContact O-CB 3.27Å; S36-R40 WeakPolarHBondContact O-CB 3.43Å; S36-R40 PolarHBondContact O-N 3.25Å
37L97.4Very high96Very high0 Ų036.6 Ų36.60%020%0.204CC..Hα-helixtrans-68.7-43.7178.4-169139.9000111.1L26 G33 K34 S35 R40 F41 T163 A165 F175L26-L37 HydrophobicContact CD2-CD2 4.32Å; G33-L37 WeakPolarHBondContact O-CB 3.26Å; G33-L37 PolarHBondContact O-N 3Å; K34-L37 WeakPolarHBondContact O-CB 3.38Å; K34-L37 PolarHBondContact O-N 3.22Å; K34-L37 VanDerWaalsContact O-N 3.1Å; S35-L37 VanDerWaalsContact C-N 3.33Å; S35-L37 PolarHBondContact O-N 3.19Å; L37-R40 PolarHBondContact O-N 3.49Å; L37-F41 WeakPolarHBondContact O-CB 3.33Å; L37-F41 PolarHBondContact O-N 3.14Å; L37-T163 HydrophobicContact CD1-CG2 4.29Å; L37-T163 VanDerWaalsContact CD1-OG1 3.28Å; L37-T163 WeakPolarHBondContact CD1-OG1 3.15Å; L37-A165 HydrophobicContact CB-CB 4.44Å; L37-F175 HydrophobicContact CD2-CE2 3.6Å; L37-F175 HydrophobicContact CD2-CZ 3.71Å
38V96.9Very high95.5Very high1 Ų142.5 Ų42.51%0.00623%0.232CC..Hα-helixtrans-65-45.3173.9-177.80000111.2L26 K34 S35 R40 F41 V42 L59 I74 D76L26-V38 HydrophobicContact CD1-CG2 3.37Å; L26-V38 HydrophobicContact CD2-CG2 3.32Å; L26-V38 HydrophobicContact CG-CG2 3.96Å; K34-V38 WeakPolarHBondContact O-CG2 3.34Å; K34-V38 PolarHBondContact O-N 3.27Å; S35-V38 PolarHBondContact O-N 2.95Å; V38-R40 VanDerWaalsContact C-N 3.29Å; V38-R40 PolarHBondContact O-N 3.1Å; V38-F41 PolarHBondContact O-N 2.64Å; V38-V42 HydrophobicContact CG1-CG2 3.82Å; V38-V42 WeakPolarHBondContact O-CB 3.25Å; V38-V42 VanDerWaalsContact O-CG2 3.23Å; V38-V42 WeakPolarHBondContact O-CG2 3.15Å; V38-V42 PolarHBondContact O-N 3.3Å; V38-L59 HydrophobicContact CG1-CB 4.26Å; V38-L59 HydrophobicContact CG1-CD1 3.92Å; V38-L59 HydrophobicContact CG1-CD2 4.08Å; V38-L59 HydrophobicContact CG1-CG 4.3Å; V38-I74 HydrophobicContact CG1-CB 4.47Å; V38-I74 HydrophobicContact CG1-CD1 4.26Å; V38-I74 HydrophobicContact CG1-CG2 3.78Å; V38-I74 HydrophobicContact CG2-CG2 3.88Å; V38-D76 HydrophobicContact CG2-CB 4.33Å
39L96.5Very high95Very high19 Ų1952.2 Ų52.210%0.09927%0.27CS..Hα-helixtrans-60.2-42178.3-177.869.7000111.4S35 F41 V42 K43 G44 Q45 H47S35-L39 WeakPolarHBondContact O-CB 3.13Å; S35-L39 PolarHBondContact O-N 3.42Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.45Å; L39-V42 PolarHBondContact O-N 3.23Å; L39-K43 HydrophobicContact CD1-CB 4.14Å; L39-K43 HydrophobicContact CD1-CD 3.65Å; L39-K43 HydrophobicContact CD1-CG 3.98Å; L39-K43 PolarHBondContact O-N 3.49Å; L39-G44 PolarHBondContact O-N 3.35Å; L39-Q45 CarbonylContact C-O 3.57Å; L39-Q45 HydrophobicContact CD2-CB 4.37Å; L39-Q45 HydrophobicContact CG-CB 4.26Å; L39-H47 WeakPolarHBondContact CD2-ND1 3.4Å
40R97.4Very high94.6Very high52 Ų5253 Ų5320%0.19627%0.273CS..Hα-helixtrans-62.1-42.5176.4178.758.272.9175.617111.3S36 L37 V38 G44 Q45 A165 K166 A168 V171S36-R40 VanDerWaalsContact O-CB 3.27Å; S36-R40 WeakPolarHBondContact O-CB 3.43Å; S36-R40 PolarHBondContact O-N 3.25Å; L37-R40 PolarHBondContact O-N 3.49Å; V38-R40 VanDerWaalsContact C-N 3.29Å; V38-R40 PolarHBondContact O-N 3.1Å; R40-G44 VanDerWaalsContact NH1-C 3.35Å; R40-G44 PolarHBondContact NH1-O 3.34Å; R40-G44 WeakPolarHBondContact O-CA 3.02Å; R40-G44 PolarHBondContact O-N 2.79Å; R40-Q45 VanDerWaalsContact CA-O 3.24Å; R40-Q45 WeakPolarHBondContact CA-O 3.35Å; R40-Q45 PolarHBondContact N-O 2.81Å; R40-A165 PolarHBondContact NE-O 2.93Å; R40-A165 PolarHBondContact NH2-O 2.79Å; R40-K166 PolarHBondContact NH2-O 2.79Å; R40-A168 HydrophobicContact CG-CB 4.12Å; R40-V171 HydrophobicContact CB-CG1 4.2Å; R40-V171 HydrophobicContact CG-CB 4.27Å; R40-V171 HydrophobicContact CG-CG1 3.94Å; R40-V171 HydrophobicContact CG-CG2 4.07Å
41F97.1Very high94.4Very high12 Ų1259.8 Ų59.85%0.05330%0.302CS..Hα-helixtrans-69.1-42.3178.4177.2-120.7000113.6L37 V38 L39 Q61 V63 F72 I74 V171 F175L37-F41 WeakPolarHBondContact O-CB 3.33Å; L37-F41 PolarHBondContact O-N 3.14Å; V38-F41 PolarHBondContact O-N 2.64Å; L39-F41 VanDerWaalsContact C-N 3.32Å; L39-F41 PolarHBondContact O-N 3.45Å; F41-Q61 HydrophobicContact CD1-CB 4.1Å; F41-Q61 HydrophobicContact CD1-CG 3.93Å; F41-Q61 HydrophobicContact CE1-CB 3.6Å; F41-Q61 HydrophobicContact CE1-CG 3.4Å; F41-Q61 HydrophobicContact CE2-CG 4.26Å; F41-Q61 HydrophobicContact CZ-CB 4.24Å; F41-Q61 HydrophobicContact CZ-CG 3.58Å; F41-Q61 PolarHBondContact O-NE2 3.44Å; F41-Q61 VanDerWaalsContact O-NE2 3.1Å; F41-V63 HydrophobicContact CE2-CG2 4.14Å; F41-V63 HydrophobicContact CZ-CG2 3.55Å; F41-F72 HydrophobicContact CE1-CD2 4.31Å; F41-F72 HydrophobicContact CZ-CD2 4.35Å; F41-I74 HydrophobicContact CD1-CD1 3.86Å; F41-I74 HydrophobicContact CE1-CD1 3.91Å; F41-V171 HydrophobicContact CB-CG1 3.87Å; F41-F175 HydrophobicContact CB-CD2 3.86Å; F41-F175 HydrophobicContact CB-CE2 3.52Å; F41-F175 HydrophobicContact CB-CZ 4.19Å; F41-F175 AromaticContact CD1-CD1 3.9Å; F41-F175 HydrophobicContact CD1-CD1 3.9Å; F41-F175 AromaticContact CD1-CD2 3.62Å; F41-F175 HydrophobicContact CD1-CD2 3.62Å; F41-F175 AromaticContact CD1-CE1 3.92Å; F41-F175 HydrophobicContact CD1-CE1 3.92Å; F41-F175 AromaticContact CD1-CE2 3.69Å; F41-F175 HydrophobicContact CD1-CE2 3.69Å; F41-F175 AromaticContact CD1-CG 3.78Å; F41-F175 HydrophobicContact CD1-CG 3.78Å; F41-F175 AromaticContact CD1-CZ 3.84Å; F41-F175 HydrophobicContact CD1-CZ 3.84Å; F41-F175 HydrophobicContact CD2-CB 4.18Å; F41-F175 AromaticContact CD2-CD2 3.43Å; F41-F175 HydrophobicContact CD2-CD2 3.43Å; F41-F175 VanDerWaalsContact CD2-CD2 3.43Å; F41-F175 HydrophobicContact CD2-CE2 4.03Å; F41-F175 AromaticContact CD2-CG 3.94Å; F41-F175 HydrophobicContact CD2-CG 3.94Å; F41-F175 HydrophobicContact CE1-CB 4.01Å; F41-F175 AromaticContact CE1-CD1 3.68Å; F41-F175 HydrophobicContact CE1-CD1 3.68Å; F41-F175 AromaticContact CE1-CD2 3.93Å; F41-F175 HydrophobicContact CE1-CD2 3.93Å; F41-F175 HydrophobicContact CE1-CE1 4.11Å; F41-F175 HydrophobicContact CE1-CE2 4.38Å; F41-F175 AromaticContact CE1-CG 3.61Å; F41-F175 HydrophobicContact CE1-CG 3.61Å; F41-F175 HydrophobicContact CE1-CZ 4.46Å; F41-F175 HydrophobicContact CE2-CB 3.61Å; F41-F175 AromaticContact CE2-CD2 3.79Å; F41-F175 HydrophobicContact CE2-CD2 3.79Å; F41-F175 AromaticContact CE2-CG 3.8Å; F41-F175 HydrophobicContact CE2-CG 3.8Å; F41-F175 HydrophobicContact CG-CD1 4.47Å; F41-F175 AromaticContact CG-CD2 3.34Å; F41-F175 HydrophobicContact CG-CD2 3.34Å; F41-F175 AromaticContact CG-CE2 3.47Å; F41-F175 HydrophobicContact CG-CE2 3.47Å; F41-F175 VanDerWaalsContact CG-CE2 3.47Å; F41-F175 AromaticContact CG-CG 3.92Å; F41-F175 HydrophobicContact CG-CG 3.92Å; F41-F175 HydrophobicContact CG-CZ 4.09Å; F41-F175 HydrophobicContact CZ-CB 3.51Å; F41-F175 HydrophobicContact CZ-CD1 4.11Å; F41-F175 HydrophobicContact CZ-CD2 4.01Å; F41-F175 AromaticContact CZ-CG 3.63Å; F41-F175 HydrophobicContact CZ-CG 3.63Å
42V95.9Very high94.1Very high32 Ų3259.4 Ų59.419%0.19430%0.295CS..Hα-helixtrans-79.8-45.7-174.71780000111.5V38 L39 L59 Q61 I74V38-V42 HydrophobicContact CG1-CG2 3.82Å; V38-V42 WeakPolarHBondContact O-CB 3.25Å; V38-V42 VanDerWaalsContact O-CG2 3.23Å; V38-V42 WeakPolarHBondContact O-CG2 3.15Å; V38-V42 PolarHBondContact O-N 3.3Å; L39-V42 PolarHBondContact O-N 3.23Å; V42-L59 HydrophobicContact CB-CD2 4.41Å; V42-L59 HydrophobicContact CG1-CD2 4.34Å; V42-L59 HydrophobicContact CG2-CB 4.2Å; V42-L59 HydrophobicContact CG2-CD2 4.14Å; V42-Q61 HydrophobicContact CG2-CB 4.09Å; V42-Q61 PolarHBondContact O-NE2 3.09Å; V42-I74 HydrophobicContact CG2-CD1 4.17Å
43K94Very high93.6Very high129 Ų12960.7 Ų60.756%0.56130%0.303SS*.Hα-helixtrans-112-6.7-170.9-59-165.1-171.5175.80114.1L39 Q45L39-K43 HydrophobicContact CD1-CB 4.14Å; L39-K43 HydrophobicContact CD1-CD 3.65Å; L39-K43 HydrophobicContact CD1-CG 3.98Å; L39-K43 PolarHBondContact O-N 3.49Å; K43-Q45 HydrophobicContact CB-CB 4.22Å; K43-Q45 HydrophobicContact CB-CG 4.15Å; K43-Q45 PolarHBondContact O-N 3.37Å
44G94.4Very high93.2Very high46 Ų4666.5 Ų66.547%0.47433%0.33SS..SBendtrans64.921.8-172.100000112.8L39 R40L39-G44 PolarHBondContact O-N 3.35Å; R40-G44 VanDerWaalsContact NH1-C 3.35Å; R40-G44 PolarHBondContact NH1-O 3.34Å; R40-G44 WeakPolarHBondContact O-CA 3.02Å; R40-G44 PolarHBondContact O-N 2.79Å
45Q94.3Very high92.9Very high93 Ų9366.7 Ų66.744%0.43533%0.334SS..  trans-115.4154.4-174.4-71.5174.5-1.700112.1L39 R40 K43L39-Q45 CarbonylContact C-O 3.57Å; L39-Q45 HydrophobicContact CD2-CB 4.37Å; L39-Q45 HydrophobicContact CG-CB 4.26Å; R40-Q45 VanDerWaalsContact CA-O 3.24Å; R40-Q45 WeakPolarHBondContact CA-O 3.35Å; R40-Q45 PolarHBondContact N-O 2.81Å; K43-Q45 HydrophobicContact CB-CB 4.22Å; K43-Q45 HydrophobicContact CB-CG 4.15Å; K43-Q45 PolarHBondContact O-N 3.37Å
46F95.3Very high92.6Very high65 Ų6567.2 Ų67.229%0.28534%0.34SS..  trans-139.6133171.3172.8-95.8000109.2E48 A165 K166F46-E48 HydrophobicContact CE1-CB 4.26Å; F46-A165 HydrophobicContact CD2-CB 4.05Å; F46-A165 HydrophobicContact CE2-CB 4.26Å; F46-K166 HydrophobicContact CD1-CB 4.45Å; F46-K166 HydrophobicContact CD1-CG 4.2Å; F46-K166 HydrophobicContact CD2-CB 4.38Å; F46-K166 HydrophobicContact CE1-CB 4.11Å; F46-K166 HydrophobicContact CE1-CD 4.19Å; F46-K166 HydrophobicContact CE1-CG 3.81Å; F46-K166 HydrophobicContact CE2-CB 4.03Å; F46-K166 HydrophobicContact CZ-CB 3.89Å; F46-K166 HydrophobicContact CZ-CD 4.32Å; F46-K166 HydrophobicContact CZ-CG 4.05Å
47H92.7Very high92.4Very high89 Ų8968.5 Ų68.541%0.41235%0.351SS..  trans-112.1128.3171.8-57.5108.5000108.3L39 Y49L39-H47 WeakPolarHBondContact CD2-ND1 3.4Å; H47-Y49 VanDerWaalsContact C-N 3.27Å; H47-Y49 PolarHBondContact O-N 3.28Å
48E87Confident92.3Very high125 Ų12573.3 Ų73.358%0.58437%0.372SS*.SBendtrans-65.3-35.3179.1-171148.4-130.100111.5F46 K166F46-E48 HydrophobicContact CE1-CB 4.26Å; E48-K166 IonicContact OE1-NZ 3.74Å; E48-K166 PolarHBondContact OE1-NZ 3.2Å
49Y87.2Confident92.2Very high205 Ų20575 Ų7580%0.80438%0.381SS*.SBendtrans-109.275.5176.7-52.7-71.2000110H47H47-Y49 VanDerWaalsContact C-N 3.27Å; H47-Y49 PolarHBondContact O-N 3.28Å
50Q87.8Confident92.2Very high82 Ų8277.1 Ų77.138%0.38339%0.394SS..PPolyproline II helixtrans-79.4125.3173.4-17661.542.900109.8
51E88Confident92.2Very high169 Ų16977.3 Ų77.379%0.7940%0.397SS*.PPolyproline II helixtrans-64.8152.1174.9-65.8-173.8162.500111.7T53E51-T53 PolarHBondContact O-N 2.98Å
52S89.6Confident92Very high73 Ų7380 Ų8051%0.5142%0.415SS..PPolyproline II helixtrans-65126.7176.1-73.40000111I54S52-I54 PolarHBondContact O-N 3.19Å
53T86.8Confident91.9Very high28 Ų2879 Ų7917%0.17241%0.409CS..PPolyproline II helixtrans-63129.7172.8-55.80000110.7S35 E51 D76 A78S35-T53 PolarHBondContact OG-OG1 3.22Å; E51-T53 PolarHBondContact O-N 2.98Å; T53-D76 PolarHBondContact OG1-OD2 3.48Å; T53-A78 WeakPolarHBondContact O-CB 3.13Å
54I88.1Confident91.6Very high135 Ų13577.5 Ų77.569%0.69241%0.414SS*.PPolyproline II helixtrans-96.5116.7174.2-60.4176.9000107.8S52 A56S52-I54 PolarHBondContact O-N 3.19Å; I54-A56 PolarHBondContact O-N 3.07Å; I54-A56 VanDerWaalsContact O-N 3.12Å
55G89.1Confident91.2Very high12 Ų1276.2 Ų76.212%0.12440%0.396CS..SBendtrans69.6-104-178.800000112.6A78G55-A78 VanDerWaalsContact O-CB 3.24Å; G55-A78 WeakPolarHBondContact O-CB 3.45Å; G55-A78 PolarHBondContact O-N 2.75Å
56A91.2Very high90.6Very high32 Ų3279.5 Ų79.526%0.26442%0.417SS..EExtended strand (participates in β ladder)trans-150.8148.1173.500000112.3I54 W75 D76 T77 Y90I54-A56 PolarHBondContact O-N 3.07Å; I54-A56 VanDerWaalsContact O-N 3.12Å; A56-W75 HydrophobicContact CB-CE3 4.38Å; A56-D76 CarbonylContact C-O 3.46Å; A56-D76 WeakPolarHBondContact CA-O 3.49Å; A56-D76 WeakPolarHBondContact CB-O 3.49Å; A56-T77 HydrophobicContact CB-CG2 4.35Å; A56-Y90 HydrophobicContact CB-CD1 3.89Å; A56-Y90 HydrophobicContact CB-CD2 4.43Å; A56-Y90 HydrophobicContact CB-CE1 3.35Å; A56-Y90 HydrophobicContact CB-CE2 3.95Å; A56-Y90 HydrophobicContact CB-CG 4.42Å
57A93.6Very high89.9Confident39 Ų3983 Ų8332%0.32244%0.438SS..EExtended strand (participates in β ladder)trans-105.9143.8171.400000110.7L59 D76A57-L59 HydrophobicContact CB-CD1 4.08Å; A57-D76 HydrophobicContact CB-CB 4.35Å; A57-D76 PolarHBondContact N-O 2.83Å; A57-D76 PolarHBondContact O-N 3.47Å
58F94.9Very high89.7Confident101 Ų10179.3 Ų79.344%0.44342%0.422SS..EExtended strand (participates in β ladder)trans-107.8126.5177179.4-100000110.3T60 E73 I74 W75F58-T60 HydrophobicContact CE1-CG2 3.64Å; F58-T60 HydrophobicContact CZ-CG2 3.74Å; F58-E73 HydrophobicContact CE2-CB 3.82Å; F58-E73 HydrophobicContact CE2-CG 4.2Å; F58-E73 HydrophobicContact CZ-CB 4.13Å; F58-E73 HydrophobicContact CZ-CG 4.01Å; F58-I74 WeakPolarHBondContact CA-O 3.44Å; F58-W75 HydrophobicContact CD2-CD2 4.2Å; F58-W75 AromaticContact CD2-CE2 3.73Å; F58-W75 HydrophobicContact CD2-CH2 4.5Å; F58-W75 AromaticContact CD2-CZ2 3.91Å; F58-W75 HydrophobicContact CD2-CZ2 3.91Å; F58-W75 AromaticContact CD2-NE1 3.83Å; F58-W75 HydrophobicContact CE2-CZ2 4.3Å; F58-W75 AromaticContact CE2-NE1 3.89Å
59L96.1Very high89.9Confident37 Ų3774.1 Ų74.119%0.19440%0.399CS..EExtended strand (participates in β ladder)trans-132.8154.1177.5-6296.9000109.8V38 V42 A57 I74 D76V38-L59 HydrophobicContact CG1-CB 4.26Å; V38-L59 HydrophobicContact CG1-CD1 3.92Å; V38-L59 HydrophobicContact CG1-CD2 4.08Å; V38-L59 HydrophobicContact CG1-CG 4.3Å; V42-L59 HydrophobicContact CB-CD2 4.41Å; V42-L59 HydrophobicContact CG1-CD2 4.34Å; V42-L59 HydrophobicContact CG2-CB 4.2Å; V42-L59 HydrophobicContact CG2-CD2 4.14Å; A57-L59 HydrophobicContact CB-CD1 4.08Å; L59-I74 HydrophobicContact CB-CB 4.39Å; L59-I74 PolarHBondContact N-O 3.38Å; L59-I74 WeakPolarHBondContact O-CA 3.23Å; L59-I74 PolarHBondContact O-N 3.39Å; L59-D76 HydrophobicContact CD1-CB 4.34Å
60T96.4Very high90.2Very high63 Ų6364.4 Ų64.439%0.38736%0.361SS..EExtended strand (participates in β ladder)trans-124.4137.5172.960.80000110.5F58 F72F58-T60 HydrophobicContact CE1-CG2 3.64Å; F58-T60 HydrophobicContact CZ-CG2 3.74Å; T60-F72 VanDerWaalsContact CA-O 3.25Å; T60-F72 WeakPolarHBondContact CA-O 3.48Å
61Q95.9Very high90.6Very high56 Ų5663.8 Ų63.826%0.26236%0.357SS..EExtended strand (participates in β ladder)trans-141.7140.9172.2-179.261.6-56.900110.8F41 V42 F72 I74F41-Q61 HydrophobicContact CD1-CB 4.1Å; F41-Q61 HydrophobicContact CD1-CG 3.93Å; F41-Q61 HydrophobicContact CE1-CB 3.6Å; F41-Q61 HydrophobicContact CE1-CG 3.4Å; F41-Q61 HydrophobicContact CE2-CG 4.26Å; F41-Q61 HydrophobicContact CZ-CB 4.24Å; F41-Q61 HydrophobicContact CZ-CG 3.58Å; F41-Q61 PolarHBondContact O-NE2 3.44Å; F41-Q61 VanDerWaalsContact O-NE2 3.1Å; V42-Q61 HydrophobicContact CG2-CB 4.09Å; V42-Q61 PolarHBondContact O-NE2 3.09Å; Q61-F72 PolarHBondContact N-O 2.86Å; Q61-F72 VanDerWaalsContact N-O 3.14Å; Q61-F72 PolarHBondContact O-N 2.82Å; Q61-I74 HydrophobicContact CB-CD1 4.26Å
62T94.2Very high91.1Very high70 Ų7055.8 Ų55.843%0.42932%0.319SS..EExtended strand (participates in β ladder)trans-106.3133.2179.3-65.50000110.4T69 V70T62-T69 HydrophobicContact CG2-CG2 3.23Å; T62-V70 CarbonylContact C-O 3.52Å; T62-V70 WeakPolarHBondContact CA-O 3.22Å
63V92.5Very high91.5Very high9 Ų954.9 Ų54.96%0.05531%0.307CS..EExtended strand (participates in β ladder)trans-117.8124.5174.7-176.70000108.2F41 L65 V70 F72 M176F41-V63 HydrophobicContact CE2-CG2 4.14Å; F41-V63 HydrophobicContact CZ-CG2 3.55Å; V63-L65 HydrophobicContact CG1-CD2 4.32Å; V63-V70 PolarHBondContact N-O 2.69Å; V63-V70 PolarHBondContact O-N 3.34Å; V63-F72 HydrophobicContact CG2-CD2 4.13Å; V63-F72 HydrophobicContact CG2-CE2 4.02Å; V63-M176 HydrophobicContact CG1-CE 4.41Å; V63-M176 HydrophobicContact CG1-CG 3.96Å
64C89.4Confident92Very high99 Ų9953.5 Ų53.567%0.66930%0.299SS*.EExtended strand (participates in β ladder)trans-84.2119.8172.2-59.30000109
65L85.4Confident92.4Very high19 Ų1950.5 Ų50.510%0.09928%0.279CS..EExtended strand (participates in β ladder)trans-99.4158.2161.9-50.9174.1000107.8V63 D67 T68 V70 A179 K180V63-L65 HydrophobicContact CG1-CD2 4.32Å; L65-D67 VanDerWaalsContact C-N 3.26Å; L65-D67 PolarHBondContact O-N 2.97Å; L65-T68 CarbonylContact C-O 3.46Å; L65-T68 WeakPolarHBondContact CA-O 3.37Å; L65-T68 WeakPolarHBondContact CB-O 3.12Å; L65-T68 PolarHBondContact N-O 3.04Å; L65-T68 PolarHBondContact O-N 2.86Å; L65-T68 VanDerWaalsContact O-N 3.09Å; L65-T68 VanDerWaalsContact O-O 3.04Å; L65-V70 HydrophobicContact CD1-CG2 3.91Å; L65-V70 HydrophobicContact CG-CG2 4.5Å; L65-A179 HydrophobicContact CD1-CB 4.09Å; L65-A179 HydrophobicContact CD2-CB 4.32Å; L65-K180 HydrophobicContact CD2-CG 4.24Å
66D80.3Confident92.8Very high162 Ų16250.2 Ų50.287%0.86627%0.274SS*.THydrogen-bonded Turntrans-44.7-48-170.6-55.2-41.8000113.5
67D81.3Confident92.9Very high137 Ų13749 Ų4973%0.73326%0.264SS*.THydrogen-bonded Turntrans-112.84.2-177.5-54.3-43.1000114.1L65L65-D67 VanDerWaalsContact C-N 3.26Å; L65-D67 PolarHBondContact O-N 2.97Å
68T88.1Confident92.7Very high13 Ų1347.8 Ų47.88%0.0825%0.254CS..EExtended strand (participates in β ladder)trans-154.9134.1-171.9-54.30000111.3K18 C20 L65 V70 K184K18-T68 HydrophobicContact CB-CG2 4.38Å; K18-T68 CarbonylContact O-C 3.54Å; K18-T68 WeakPolarHBondContact O-CA 3.46Å; K18-T68 VanDerWaalsContact O-CG2 3.22Å; K18-T68 WeakPolarHBondContact O-CG2 3.29Å; C20-T68 HydrophobicContact CB-CG2 4.47Å; L65-T68 CarbonylContact C-O 3.46Å; L65-T68 WeakPolarHBondContact CA-O 3.37Å; L65-T68 WeakPolarHBondContact CB-O 3.12Å; L65-T68 PolarHBondContact N-O 3.04Å; L65-T68 PolarHBondContact O-N 2.86Å; L65-T68 VanDerWaalsContact O-N 3.09Å; L65-T68 VanDerWaalsContact O-O 3.04Å; T68-V70 HydrophobicContact CG2-CG2 4.49Å; T68-K184 HydrophobicContact CG2-CD 4.19Å; T68-K184 HydrophobicContact CG2-CG 4.41Å
69T91.6Very high92.1Very high16 Ų1643.8 Ų43.810%0.09824%0.241CC..EExtended strand (participates in β ladder)trans-94.7122172.8-600000109.8N17 K18 I19 C20 T62N17-T69 PolarHBondContact ND2-OG1 3.05Å; N17-T69 PolarHBondContact OD1-N 3.09Å; N17-T69 PolarHBondContact OD1-OG1 3.45Å; K18-T69 PolarHBondContact O-N 3.17Å; I19-T69 CarbonylContact C-O 3.53Å; I19-T69 VanDerWaalsContact CA-O 3.3Å; I19-T69 WeakPolarHBondContact CA-O 3.27Å; I19-T69 HydrophobicContact CG1-CG2 4.46Å; C20-T69 PolarHBondContact N-O 3.48Å; T62-T69 HydrophobicContact CG2-CG2 3.23Å
70V94.6Very high91.6Very high0 Ų044.4 Ų44.40%024%0.243CC..EExtended strand (participates in β ladder)trans-102.9120.1177.8170.80000109.7C20 F22 T62 V63 L65 T68 F72 A179C20-V70 CarbonylContact O-C 3.55Å; C20-V70 WeakPolarHBondContact O-CA 3.38Å; F22-V70 HydrophobicContact CD2-CG1 3.81Å; F22-V70 HydrophobicContact CE2-CG1 4.34Å; F22-V70 HydrophobicContact CE2-CG2 4.31Å; T62-V70 CarbonylContact C-O 3.52Å; T62-V70 WeakPolarHBondContact CA-O 3.22Å; V63-V70 PolarHBondContact N-O 2.69Å; V63-V70 PolarHBondContact O-N 3.34Å; L65-V70 HydrophobicContact CD1-CG2 3.91Å; L65-V70 HydrophobicContact CG-CG2 4.5Å; T68-V70 HydrophobicContact CG2-CG2 4.49Å; V70-F72 HydrophobicContact CG1-CD1 4.32Å; V70-F72 HydrophobicContact CG1-CD2 4.29Å; V70-F72 HydrophobicContact CG1-CE1 4.05Å; V70-F72 HydrophobicContact CG1-CE2 4.01Å; V70-F72 HydrophobicContact CG1-CG 4.44Å; V70-F72 HydrophobicContact CG1-CZ 3.9Å; V70-A179 HydrophobicContact CB-CB 4.26Å; V70-A179 HydrophobicContact CG1-CB 4.17Å; V70-A179 HydrophobicContact CG2-CB 4.23Å
71K96.1Very high90.8Very high70 Ų7049.1 Ų49.130%0.30426%0.26SS..EExtended strand (participates in β ladder)trans-98.5114.9170.6-175.1-178.4178.5-1710109.5C20 Q21 F22C20-K71 PolarHBondContact O-N 2.92Å; Q21-K71 WeakPolarHBondContact CA-O 3.27Å; Q21-K71 HydrophobicContact CG-CB 4.5Å; Q21-K71 HydrophobicContact CG-CD 4.46Å; F22-K71 PolarHBondContact N-O 3.29Å
72F97.5Very high90.3Very high0 Ų054.9 Ų54.90%028%0.28CS..EExtended strand (participates in β ladder)trans-85.2132.5171.5-71.9-62.8000111.3F22 L24 F41 T60 Q61 V63 V70 I74 F175 I178 A179 L182F22-F72 HydrophobicContact CB-CD1 4.43Å; F22-F72 WeakPolarHBondContact O-CA 3.24Å; L24-F72 HydrophobicContact CB-CD1 4.02Å; L24-F72 HydrophobicContact CD1-CD1 3.91Å; L24-F72 HydrophobicContact CD1-CE1 3.86Å; L24-F72 HydrophobicContact CD1-CZ 4.41Å; F41-F72 HydrophobicContact CE1-CD2 4.31Å; F41-F72 HydrophobicContact CZ-CD2 4.35Å; T60-F72 VanDerWaalsContact CA-O 3.25Å; T60-F72 WeakPolarHBondContact CA-O 3.48Å; Q61-F72 PolarHBondContact N-O 2.86Å; Q61-F72 VanDerWaalsContact N-O 3.14Å; Q61-F72 PolarHBondContact O-N 2.82Å; V63-F72 HydrophobicContact CG2-CD2 4.13Å; V63-F72 HydrophobicContact CG2-CE2 4.02Å; V70-F72 HydrophobicContact CG1-CD1 4.32Å; V70-F72 HydrophobicContact CG1-CD2 4.29Å; V70-F72 HydrophobicContact CG1-CE1 4.05Å; V70-F72 HydrophobicContact CG1-CE2 4.01Å; V70-F72 HydrophobicContact CG1-CG 4.44Å; V70-F72 HydrophobicContact CG1-CZ 3.9Å; F72-I74 HydrophobicContact CB-CD1 4.17Å; F72-I74 HydrophobicContact CB-CG1 3.74Å; F72-F175 HydrophobicContact CE2-CB 4.25Å; F72-I178 HydrophobicContact CE1-CG2 4.11Å; F72-I178 HydrophobicContact CZ-CB 4.49Å; F72-I178 HydrophobicContact CZ-CG2 4.14Å; F72-A179 HydrophobicContact CE2-CB 4.05Å; F72-A179 HydrophobicContact CZ-CB 3.75Å; F72-L182 HydrophobicContact CE1-CD1 3.79Å; F72-L182 HydrophobicContact CZ-CD1 4.38Å
73E97.5Very high89.9Confident54 Ų5453.7 Ų53.725%0.25227%0.268SS..EExtended strand (participates in β ladder)trans-101.396.2164-71.7-170147.900108.5Q21 F22 K23 L24 F58Q21-E73 HydrophobicContact CG-CG 4.03Å; Q21-E73 PolarHBondContact NE2-OE1 3.28Å; F22-E73 PolarHBondContact O-N 2.8Å; K23-E73 WeakPolarHBondContact CA-O 3.47Å; L24-E73 PolarHBondContact N-O 2.82Å; L24-E73 VanDerWaalsContact O-O 3.11Å; F58-E73 HydrophobicContact CE2-CB 3.82Å; F58-E73 HydrophobicContact CE2-CG 4.2Å; F58-E73 HydrophobicContact CZ-CB 4.13Å; F58-E73 HydrophobicContact CZ-CG 4.01Å
74I97.8Very high89.6Confident0 Ų057.5 Ų57.50%029%0.285CS..EExtended strand (participates in β ladder)trans-93.5121.7-168-54173.7000109.7L24 L26 V38 F41 V42 F58 L59 Q61 F72 F175L24-I74 HydrophobicContact CD2-CG2 4.13Å; L24-I74 CarbonylContact O-C 3.57Å; L24-I74 WeakPolarHBondContact O-CA 3.2Å; L26-I74 HydrophobicContact CD1-CG2 3.34Å; V38-I74 HydrophobicContact CG1-CB 4.47Å; V38-I74 HydrophobicContact CG1-CD1 4.26Å; V38-I74 HydrophobicContact CG1-CG2 3.78Å; V38-I74 HydrophobicContact CG2-CG2 3.88Å; F41-I74 HydrophobicContact CD1-CD1 3.86Å; F41-I74 HydrophobicContact CE1-CD1 3.91Å; V42-I74 HydrophobicContact CG2-CD1 4.17Å; F58-I74 WeakPolarHBondContact CA-O 3.44Å; L59-I74 HydrophobicContact CB-CB 4.39Å; L59-I74 PolarHBondContact N-O 3.38Å; L59-I74 WeakPolarHBondContact O-CA 3.23Å; L59-I74 PolarHBondContact O-N 3.39Å; Q61-I74 HydrophobicContact CB-CD1 4.26Å; F72-I74 HydrophobicContact CB-CD1 4.17Å; F72-I74 HydrophobicContact CB-CG1 3.74Å; I74-F175 HydrophobicContact CD1-CE1 4.29Å
75W97.2Very high89.5Confident72 Ų7257.4 Ų57.427%0.27329%0.285SS..EExtended strand (participates in β ladder)trans-102.2101172.1-67.979.9000109.2L24 V25 L26 A56 F58 Y90L24-W75 PolarHBondContact O-N 3.42Å; V25-W75 HydrophobicContact CB-CB 4.34Å; V25-W75 HydrophobicContact CG2-CB 4.12Å; L26-W75 PolarHBondContact N-O 2.7Å; A56-W75 HydrophobicContact CB-CE3 4.38Å; F58-W75 HydrophobicContact CD2-CD2 4.2Å; F58-W75 AromaticContact CD2-CE2 3.73Å; F58-W75 HydrophobicContact CD2-CH2 4.5Å; F58-W75 AromaticContact CD2-CZ2 3.91Å; F58-W75 HydrophobicContact CD2-CZ2 3.91Å; F58-W75 AromaticContact CD2-NE1 3.83Å; F58-W75 HydrophobicContact CE2-CZ2 4.3Å; F58-W75 AromaticContact CE2-NE1 3.89Å; W75-Y90 AromaticContact CE3-CD1 3.67Å; W75-Y90 HydrophobicContact CE3-CD1 3.67Å; W75-Y90 HydrophobicContact CE3-CE1 4.05Å; W75-Y90 HydrophobicContact CZ3-CD1 4.03Å; W75-Y90 HydrophobicContact CZ3-CE1 4.08Å
76D96.2Very high89.7Confident6 Ų659.5 Ų59.53%0.03230%0.296CS..EExtended strand (participates in β ladder)trans-84.3110.6171.8177.642.3000109.4K34 S35 V38 T53 A56 A57 L59K34-D76 WeakPolarHBondContact CB-OD1 3.48Å; S35-D76 WeakPolarHBondContact CA-OD2 3.42Å; S35-D76 WeakPolarHBondContact CB-OD2 3.3Å; S35-D76 PolarHBondContact N-OD1 2.85Å; S35-D76 PolarHBondContact OG-OD1 3.32Å; S35-D76 PolarHBondContact OG-OD2 3.48Å; V38-D76 HydrophobicContact CG2-CB 4.33Å; T53-D76 PolarHBondContact OG1-OD2 3.48Å; A56-D76 CarbonylContact C-O 3.46Å; A56-D76 WeakPolarHBondContact CA-O 3.49Å; A56-D76 WeakPolarHBondContact CB-O 3.49Å; A57-D76 HydrophobicContact CB-CB 4.35Å; A57-D76 PolarHBondContact N-O 2.83Å; A57-D76 PolarHBondContact O-N 3.47Å; L59-D76 HydrophobicContact CD1-CB 4.34Å
77T94.3Very high90.2Very high7 Ų752 Ų524%0.04326%0.257CS..EExtended strand (participates in β ladder)trans-96.6152.9-174.668.80000112.4V25 L26 L27 K34 A56 Y90V25-T77 HydrophobicContact CG2-CG2 3.8Å; L26-T77 WeakPolarHBondContact O-CB 3.33Å; L26-T77 WeakPolarHBondContact O-CG2 3.22Å; L26-T77 PolarHBondContact O-OG1 2.79Å; L27-T77 HydrophobicContact CD2-CG2 4.35Å; K34-T77 WeakPolarHBondContact CE-O 3.36Å; A56-T77 HydrophobicContact CB-CG2 4.35Å; T77-Y90 HydrophobicContact CG2-CD2 3.71Å; T77-Y90 HydrophobicContact CG2-CE2 4.44Å; T77-Y90 HydrophobicContact CG2-CG 3.82Å
78A90.4Very high90.7Very high13 Ų1347.9 Ų47.911%0.10724%0.237CC..  trans-65136.6170.100000110.6T53 G55 Y83T53-A78 WeakPolarHBondContact O-CB 3.13Å; G55-A78 VanDerWaalsContact O-CB 3.24Å; G55-A78 WeakPolarHBondContact O-CB 3.45Å; G55-A78 PolarHBondContact O-N 2.75Å; A78-Y83 HydrophobicContact CB-CD2 3.46Å; A78-Y83 VanDerWaalsContact CB-CD2 3.46Å; A78-Y83 HydrophobicContact CB-CE2 4.16Å; A78-Y83 HydrophobicContact CB-CG 4.01Å
79G82.1Confident90.9Very high17 Ų1752.5 Ų52.518%0.17526%0.259CS..  trans-90.5-2.1176.700000115.1G28 S30G28-G79 VanDerWaalsContact O-CA 3.27Å; G28-G79 WeakPolarHBondContact O-CA 3.39Å; S30-G79 PolarHBondContact N-O 2.86Å; S30-G79 VanDerWaalsContact N-O 3.12Å
80Q85.7Confident91Very high50 Ų5052.9 Ų52.923%0.23426%0.259CS..SBendtrans-75.3139.5-178.6-59.3178.912.700110.5R82 Y83Q80-R82 HydrophobicContact CB-CG 4.01Å; Q80-R82 PolarHBondContact O-N 2.89Å; Q80-R82 VanDerWaalsContact O-N 3.11Å; Q80-R82 VanDerWaalsContact OE1-CD 3.3Å; Q80-Y83 HydrophobicContact CB-CD2 4.05Å; Q80-Y83 HydrophobicContact CB-CE2 4.44Å; Q80-Y83 PolarHBondContact O-N 2.96Å
81E78.9Confident91Very high162 Ų16253.1 Ų53.176%0.75726%0.26SS*.G310 helixtrans-59.8-29.9-175.466.8-81.4173.100113.4Y83 H84E81-Y83 PolarHBondContact O-N 3.45Å; E81-H84 WeakPolarHBondContact O-CB 3.33Å; E81-H84 PolarHBondContact O-N 2.78Å
82R85.1Confident90.9Very high176 Ų17659.4 Ų59.466%0.66428%0.282SS*.G310 helixtrans-58.5-20.4177.168.5-176.8-64.2179.9-0.1114Q80Q80-R82 HydrophobicContact CB-CG 4.01Å; Q80-R82 PolarHBondContact O-N 2.89Å; Q80-R82 VanDerWaalsContact O-N 3.11Å; Q80-R82 VanDerWaalsContact OE1-CD 3.3Å
83Y85.4Confident90.6Very high46 Ų4661.5 Ų61.518%0.1830%0.304CS..G310 helixtrans-104.41.1177.1-58.5-65.5000113.1A78 Q80 E81 S85 L86A78-Y83 HydrophobicContact CB-CD2 3.46Å; A78-Y83 VanDerWaalsContact CB-CD2 3.46Å; A78-Y83 HydrophobicContact CB-CE2 4.16Å; A78-Y83 HydrophobicContact CB-CG 4.01Å; Q80-Y83 HydrophobicContact CB-CD2 4.05Å; Q80-Y83 HydrophobicContact CB-CE2 4.44Å; Q80-Y83 PolarHBondContact O-N 2.96Å; E81-Y83 PolarHBondContact O-N 3.45Å; Y83-S85 VanDerWaalsContact C-N 3.27Å; Y83-S85 PolarHBondContact O-N 3.01Å; Y83-L86 HydrophobicContact CD1-CD1 4Å; Y83-L86 WeakPolarHBondContact O-CB 3.27Å; Y83-L86 PolarHBondContact O-N 2.79Å
84H85.9Confident90.5Very high89 Ų8959 Ų5941%0.41229%0.292SS..G310 helixtrans-58.7-37.3-177.1179.669.4000112.5E81 L86 A87 W115 E118E81-H84 WeakPolarHBondContact O-CB 3.33Å; E81-H84 PolarHBondContact O-N 2.78Å; H84-L86 PolarHBondContact O-N 3.25Å; H84-L86 VanDerWaalsContact O-N 3.11Å; H84-A87 VanDerWaalsContact O-CB 3.3Å; H84-A87 WeakPolarHBondContact O-CB 3.32Å; H84-A87 PolarHBondContact O-N 3.41Å; H84-W115 AromaticContact CE1-CH2 3.43Å; H84-W115 VanDerWaalsContact CE1-CH2 3.43Å; H84-W115 WeakPolarHBondContact CE1-CH2 3.46Å; H84-W115 AromaticContact CE1-CZ2 3.88Å; H84-W115 AromaticContact CE1-CZ3 3.8Å; H84-W115 AromaticContact ND1-CH2 3.01Å; H84-W115 WeakPolarHBondContact ND1-CH2 3.43Å; H84-W115 AromaticContact ND1-CZ2 3.3Å; H84-W115 VanDerWaalsContact ND1-CZ2 3.3Å; H84-W115 WeakPolarHBondContact ND1-CZ2 3.28Å; H84-W115 AromaticContact ND1-CZ3 3.85Å; H84-E118 IonicContact CE1-OE2 3.28Å; H84-E118 PolarHBondContact CE1-OE2 2.73Å; H84-E118 IonicContact NE2-OE2 3.27Å
85S88.3Confident90.5Very high97 Ų9762.4 Ų62.468%0.67831%0.308SS*.G310 helixtrans-63.3-15.6175.857.50000114.1Y83Y83-S85 VanDerWaalsContact C-N 3.27Å; Y83-S85 PolarHBondContact O-N 3.01Å
86L90.3Very high90.5Very high63 Ų6359 Ų5933%0.3330%0.295SS..G310 helixtrans-91.4-8.3174.3-53.6179.9000112.6Y83 H84 P88 M89 Y90Y83-L86 HydrophobicContact CD1-CD1 4Å; Y83-L86 WeakPolarHBondContact O-CB 3.27Å; Y83-L86 PolarHBondContact O-N 2.79Å; H84-L86 PolarHBondContact O-N 3.25Å; H84-L86 VanDerWaalsContact O-N 3.11Å; L86-P88 VanDerWaalsContact C-CD 3.48Å; L86-M89 HydrophobicContact CB-CG 4.23Å; L86-M89 HydrophobicContact CB-SD 4.08Å; L86-M89 HydrophobicContact CD2-SD 4.05Å; L86-M89 WeakPolarHBondContact O-CG 3.28Å; L86-M89 PolarHBondContact O-N 3.06Å; L86-Y90 HydrophobicContact CB-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.34Å
87A89.4Confident90.6Very high5 Ų558.7 Ų58.74%0.04129%0.293CS..Hα-helixtrans-57.9-40.3179.800000113.9L27 H84 M89 Y90 Y91 W115L27-A87 HydrophobicContact CD2-CB 4.36Å; H84-A87 VanDerWaalsContact O-CB 3.3Å; H84-A87 WeakPolarHBondContact O-CB 3.32Å; H84-A87 PolarHBondContact O-N 3.41Å; A87-M89 VanDerWaalsContact C-N 3.26Å; A87-M89 PolarHBondContact O-N 2.92Å; A87-Y90 PolarHBondContact O-N 3.38Å; A87-Y91 VanDerWaalsContact C-CE1 3.49Å; A87-Y91 HydrophobicContact CB-CD1 4.4Å; A87-Y91 HydrophobicContact CB-CE1 4.18Å; A87-Y91 WeakPolarHBondContact O-CD1 3.45Å; A87-Y91 WeakPolarHBondContact O-CE1 3.27Å; A87-Y91 PolarHBondContact O-N 3.29Å; A87-W115 HydrophobicContact CB-CH2 3.33Å; A87-W115 HydrophobicContact CB-CZ3 3.45Å; A87-W115 VanDerWaalsContact CB-CZ3 3.45Å
88P92.7Very high90.8Very high50 Ų5058.3 Ų58.333%0.32529%0.291SS..Hα-helixtrans-57.4-33.8177.9-25.934.6000114.9L86 Y90 Y91 R92L86-P88 VanDerWaalsContact C-CD 3.48Å; P88-Y90 VanDerWaalsContact C-N 3.31Å; P88-Y90 PolarHBondContact O-N 3.24Å; P88-Y91 VanDerWaalsContact CA-CE1 3.48Å; P88-Y91 VanDerWaalsContact CA-CZ 3.42Å; P88-Y91 HydrophobicContact CB-CE1 4.34Å; P88-Y91 HydrophobicContact CB-CE2 4.48Å; P88-Y91 HydrophobicContact CG-CE1 4.31Å; P88-Y91 WeakPolarHBondContact CG-OH 3.22Å; P88-R92 VanDerWaalsContact O-CB 3.29Å; P88-R92 WeakPolarHBondContact O-CB 3.37Å; P88-R92 PolarHBondContact O-N 2.96Å
89M92.9Very high91.2Very high110 Ų11057.7 Ų57.754%0.54229%0.286SS..Hα-helixtrans-70.1-28.8176.655.5171.9-65.900112.5L86 A87L86-M89 HydrophobicContact CB-CG 4.23Å; L86-M89 HydrophobicContact CB-SD 4.08Å; L86-M89 HydrophobicContact CD2-SD 4.05Å; L86-M89 WeakPolarHBondContact O-CG 3.28Å; L86-M89 PolarHBondContact O-N 3.06Å; A87-M89 VanDerWaalsContact C-N 3.26Å; A87-M89 PolarHBondContact O-N 2.92Å
90Y92.8Very high92Very high24 Ų2456.9 Ų56.99%0.09428%0.278CS..Hα-helixtrans-81-45.3-177.9-62-55.4000112.9K23 A56 W75 T77 L86 A87 P88 R92K23-Y90 WeakPolarHBondContact CE-O 3.46Å; K23-Y90 PolarHBondContact NZ-O 2.83Å; A56-Y90 HydrophobicContact CB-CD1 3.89Å; A56-Y90 HydrophobicContact CB-CD2 4.43Å; A56-Y90 HydrophobicContact CB-CE1 3.35Å; A56-Y90 HydrophobicContact CB-CE2 3.95Å; A56-Y90 HydrophobicContact CB-CG 4.42Å; W75-Y90 AromaticContact CE3-CD1 3.67Å; W75-Y90 HydrophobicContact CE3-CD1 3.67Å; W75-Y90 HydrophobicContact CE3-CE1 4.05Å; W75-Y90 HydrophobicContact CZ3-CD1 4.03Å; W75-Y90 HydrophobicContact CZ3-CE1 4.08Å; T77-Y90 HydrophobicContact CG2-CD2 3.71Å; T77-Y90 HydrophobicContact CG2-CE2 4.44Å; T77-Y90 HydrophobicContact CG2-CG 3.82Å; L86-Y90 HydrophobicContact CB-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.34Å; A87-Y90 PolarHBondContact O-N 3.38Å; P88-Y90 VanDerWaalsContact C-N 3.31Å; P88-Y90 PolarHBondContact O-N 3.24Å; Y90-R92 VanDerWaalsContact C-N 3.33Å; Y90-R92 PolarHBondContact O-N 2.86Å
91Y93.9Very high92.6Very high5 Ų554.5 Ų54.52%0.0227%0.266CS..Hα-helixtrans-81.3-9.7179.264.6-112.7000113.8L27 A87 P88 G93 A94 E118 L119 Q122 A123L27-Y91 HydrophobicContact CD1-CD1 4.22Å; A87-Y91 VanDerWaalsContact C-CE1 3.49Å; A87-Y91 HydrophobicContact CB-CD1 4.4Å; A87-Y91 HydrophobicContact CB-CE1 4.18Å; A87-Y91 WeakPolarHBondContact O-CD1 3.45Å; A87-Y91 WeakPolarHBondContact O-CE1 3.27Å; A87-Y91 PolarHBondContact O-N 3.29Å; P88-Y91 VanDerWaalsContact CA-CE1 3.48Å; P88-Y91 VanDerWaalsContact CA-CZ 3.42Å; P88-Y91 HydrophobicContact CB-CE1 4.34Å; P88-Y91 HydrophobicContact CB-CE2 4.48Å; P88-Y91 HydrophobicContact CG-CE1 4.31Å; P88-Y91 WeakPolarHBondContact CG-OH 3.22Å; Y91-G93 PolarHBondContact O-N 2.89Å; Y91-A94 VanDerWaalsContact O-CB 3.3Å; Y91-A94 WeakPolarHBondContact O-CB 3.17Å; Y91-A94 PolarHBondContact O-N 3.42Å; Y91-E118 PolarHBondContact OH-OE1 2.83Å; Y91-L119 HydrophobicContact CD1-CD2 4.09Å; Y91-L119 HydrophobicContact CD2-CD2 4.34Å; Y91-L119 HydrophobicContact CG-CD2 3.86Å; Y91-Q122 HydrophobicContact CE2-CB 3.99Å; Y91-Q122 PolarHBondContact OH-OE1 2.57Å; Y91-A123 HydrophobicContact CD2-CB 4.01Å; Y91-A123 HydrophobicContact CE2-CB 4.47Å
92R93.9Very high93.5Very high202 Ų20247.4 Ų47.476%0.76223%0.234SC*.THydrogen-bonded Turntrans-58.1122.5174.1-177.3177.5178.989.51110.7K23 P88 Y90 A94K23-R92 PolarHBondContact NZ-O 3.44Å; P88-R92 VanDerWaalsContact O-CB 3.29Å; P88-R92 WeakPolarHBondContact O-CB 3.37Å; P88-R92 PolarHBondContact O-N 2.96Å; Y90-R92 VanDerWaalsContact C-N 3.33Å; Y90-R92 PolarHBondContact O-N 2.86Å; R92-A94 PolarHBondContact O-N 2.93Å
93G91.9Very high94.1Very high44 Ų4439 Ų3945%0.45420%0.202SC..THydrogen-bonded Turntrans71.19.7-178.900000114.6Y91 Q95Y91-G93 PolarHBondContact O-N 2.89Å; G93-Q95 PolarHBondContact O-OE1 2.87Å
94A96.1Very high94.8Very high0 Ų038.6 Ų38.60%020%0.204CC..  trans-72.4134.3171.700000110.2K23 V25 Y91 R92 I127K23-A94 HydrophobicContact CD-CB 4.38Å; K23-A94 HydrophobicContact CG-CB 4.18Å; V25-A94 HydrophobicContact CG1-CB 4.08Å; Y91-A94 VanDerWaalsContact O-CB 3.3Å; Y91-A94 WeakPolarHBondContact O-CB 3.17Å; Y91-A94 PolarHBondContact O-N 3.42Å; R92-A94 PolarHBondContact O-N 2.93Å; A94-I127 HydrophobicContact CB-CD1 4.33Å
95Q97.1Very high95.3Very high72 Ų7237.2 Ų37.234%0.33620%0.2SC..SBendtrans-89.4-18.8174.6-60.690.5-17.100111.9F22 K23 G93 V128 L182F22-Q95 HydrophobicContact CD1-CB 3.98Å; F22-Q95 HydrophobicContact CD1-CG 3.98Å; K23-Q95 PolarHBondContact O-N 3.1Å; K23-Q95 PolarHBondContact O-OE1 3.47Å; G93-Q95 PolarHBondContact O-OE1 2.87Å; Q95-V128 PolarHBondContact O-N 2.87Å; Q95-L182 HydrophobicContact CB-CD2 3.8Å; Q95-L182 WeakPolarHBondContact O-CD2 3.01Å
96A97.6Very high95.7Very high0 Ų035.5 Ų35.50%019%0.185CC..EExtended strand (participates in β ladder)trans-138152173.800000112.3K23 L24 V25 V128 I178 L182K23-A96 PolarHBondContact O-N 2.87Å; L24-A96 WeakPolarHBondContact CA-O 3.18Å; L24-A96 HydrophobicContact CB-CB 4.35Å; L24-A96 HydrophobicContact CD1-CB 4.12Å; L24-A96 HydrophobicContact CG-CB 4.13Å; V25-A96 PolarHBondContact N-O 2.92Å; V25-A96 VanDerWaalsContact N-O 3.09Å; A96-V128 CarbonylContact C-O 3.55Å; A96-V128 VanDerWaalsContact CA-O 3.22Å; A96-V128 WeakPolarHBondContact CA-O 3.47Å; A96-V128 HydrophobicContact CB-CB 4.44Å; A96-I178 HydrophobicContact CB-CG2 3.48Å; A96-I178 VanDerWaalsContact CB-CG2 3.48Å; A96-L182 HydrophobicContact CB-CD1 4.45Å; A96-L182 HydrophobicContact CB-CD2 4.37Å
97A98.1Very high96.1Very high0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-136140.9170.600000110.8V25 L119 I127 V128 A130V25-A97 HydrophobicContact CG1-CB 3.75Å; V25-A97 CarbonylContact O-C 3.59Å; V25-A97 VanDerWaalsContact O-CA 3.27Å; V25-A97 WeakPolarHBondContact O-CA 3.46Å; A97-L119 HydrophobicContact CB-CD1 3.58Å; A97-L119 HydrophobicContact CB-CD2 4.29Å; A97-I127 HydrophobicContact CB-CD1 3.89Å; A97-V128 PolarHBondContact N-O 3.42Å; A97-A130 PolarHBondContact O-N 2.8Å
98I98.5Very high96.5Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-111.2115.5167.4-54.1178.8000107.9L24 V25 L26 L27 V100 A130 A132 I174 F175 I178L24-I98 HydrophobicContact CD1-CD1 4.16Å; L24-I98 HydrophobicContact CD1-CG1 4.31Å; L24-I98 HydrophobicContact CD2-CD1 4.06Å; L24-I98 HydrophobicContact CD2-CG1 4.13Å; L24-I98 HydrophobicContact CG-CG1 4.49Å; V25-I98 PolarHBondContact O-N 3Å; L26-I98 WeakPolarHBondContact CA-O 3.34Å; L26-I98 HydrophobicContact CG-CB 4.29Å; L27-I98 PolarHBondContact N-O 2.98Å; I98-V100 HydrophobicContact CG2-CG2 3.86Å; I98-A130 CarbonylContact C-O 3.59Å; I98-A130 WeakPolarHBondContact CA-O 3.44Å; I98-A130 HydrophobicContact CG1-CB 4.42Å; I98-A132 HydrophobicContact CG2-CB 3.84Å; I98-I174 HydrophobicContact CG2-CD1 4.15Å; I98-F175 HydrophobicContact CD1-CD1 3.91Å; I98-F175 HydrophobicContact CD1-CE1 3.43Å; I98-F175 VanDerWaalsContact CD1-CE1 3.43Å; I98-F175 HydrophobicContact CD1-CE2 4.39Å; I98-F175 HydrophobicContact CD1-CZ 3.69Å; I98-I178 HydrophobicContact CD1-CD1 3.68Å; I98-I178 HydrophobicContact CG1-CD1 3.5Å; I98-I178 VanDerWaalsContact CG1-CD1 3.5Å
99V98.4Very high96.8Very high0 Ų035.7 Ų35.70%018%0.183CC..EExtended strand (participates in β ladder)trans-94.1116.3172.3-173.40000108.1L27 A112 W115 V116 L119 I129 A130 L131 A132L27-V99 CarbonylContact O-C 3.44Å; L27-V99 WeakPolarHBondContact O-CA 3.34Å; V99-A112 HydrophobicContact CG1-CB 3.6Å; V99-W115 HydrophobicContact CG1-CB 3.83Å; V99-W115 HydrophobicContact CG2-CB 4.34Å; V99-V116 HydrophobicContact CB-CG2 4.37Å; V99-V116 HydrophobicContact CG1-CG2 4.42Å; V99-V116 HydrophobicContact CG2-CG2 4.06Å; V99-L119 HydrophobicContact CG2-CD1 3.74Å; V99-I129 HydrophobicContact CG2-CG2 4.15Å; V99-A130 PolarHBondContact N-O 3.5Å; V99-L131 HydrophobicContact CB-CD1 4.38Å; V99-L131 HydrophobicContact CG1-CD1 4.43Å; V99-L131 CarbonylContact O-C 3.58Å; V99-L131 WeakPolarHBondContact O-CA 3.3Å; V99-A132 PolarHBondContact O-N 3.25Å
100V98.6Very high97Very high0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-105.9135.8-174.5-169.90000110.2L26 L27 G28 V32 K34 I98 A132 N134L26-V100 HydrophobicContact CD2-CG2 4.3Å; L27-V100 PolarHBondContact O-N 2.83Å; G28-V100 WeakPolarHBondContact CA-O 3.44Å; V32-V100 HydrophobicContact CB-CG1 4.32Å; V32-V100 HydrophobicContact CG2-CB 3.93Å; V32-V100 HydrophobicContact CG2-CG1 3.88Å; K34-V100 HydrophobicContact CG-CB 3.95Å; K34-V100 HydrophobicContact CG-CG2 3.95Å; I98-V100 HydrophobicContact CG2-CG2 3.86Å; V100-A132 WeakPolarHBondContact CA-O 3.14Å; V100-A132 HydrophobicContact CG1-CB 4.49Å; V100-A132 HydrophobicContact CG2-CB 4.27Å; V100-N134 HydrophobicContact CG1-CB 3.73Å
101Y98.7Very high97.2Very high0 Ų039.8 Ų39.80%020%0.2CC..EExtended strand (participates in β ladder)trans-130.1167.3167.274.2-84000110.6I103 F109 L131 A132 N134 V144 A149 F160Y101-I103 HydrophobicContact CE2-CG2 4Å; Y101-F109 AromaticContact CD1-CD2 3.91Å; Y101-F109 HydrophobicContact CD1-CD2 3.91Å; Y101-F109 HydrophobicContact CD2-CB 3.77Å; Y101-F109 HydrophobicContact CD2-CD2 4.05Å; Y101-F109 HydrophobicContact CD2-CG 4.23Å; Y101-F109 AromaticContact CE1-CD2 3.94Å; Y101-F109 HydrophobicContact CE1-CD2 3.94Å; Y101-F109 HydrophobicContact CE1-CE2 4.26Å; Y101-F109 HydrophobicContact CE2-CB 4.26Å; Y101-F109 HydrophobicContact CE2-CD2 4.1Å; Y101-F109 HydrophobicContact CE2-CG 4.33Å; Y101-F109 HydrophobicContact CG-CB 4.14Å; Y101-F109 AromaticContact CG-CD2 3.97Å; Y101-F109 HydrophobicContact CG-CD2 3.97Å; Y101-F109 HydrophobicContact CG-CG 4.5Å; Y101-L131 HydrophobicContact CD1-CD1 3.77Å; Y101-L131 HydrophobicContact CD1-CG 4.19Å; Y101-L131 HydrophobicContact CE1-CD1 4.01Å; Y101-L131 HydrophobicContact CE1-CD2 4.16Å; Y101-L131 HydrophobicContact CE1-CG 3.91Å; Y101-A132 WeakPolarHBondContact CD1-O 3.29Å; Y101-A132 PolarHBondContact N-O 3.18Å; Y101-N134 PolarHBondContact O-N 3.47Å; Y101-V144 HydrophobicContact CD2-CG2 4.42Å; Y101-V144 HydrophobicContact CE2-CB 3.99Å; Y101-V144 HydrophobicContact CE2-CG1 3.81Å; Y101-V144 HydrophobicContact CE2-CG2 4.15Å; Y101-A149 WeakPolarHBondContact OH-CB 3.47Å; Y101-F160 HydrophobicContact CE1-CE2 4.12Å; Y101-F160 WeakPolarHBondContact OH-CE2 3.08Å
102D98.3Very high97.4Very high13 Ų1339.6 Ų39.67%0.0720%0.199CC..EExtended strand (participates in β ladder)trans-98.9122.1175.7-179-13.5000109.5V32 T104 N105 T108 K135V32-D102 HydrophobicContact CG1-CB 4.42Å; D102-T104 PolarHBondContact O-N 2.88Å; D102-T104 WeakPolarHBondContact OD1-CB 3.47Å; D102-T104 PolarHBondContact OD1-N 3.34Å; D102-T104 PolarHBondContact OD1-OG1 3.09Å; D102-T104 PolarHBondContact OD2-OG1 2.81Å; D102-N105 HydrophobicContact CB-CB 4.38Å; D102-N105 PolarHBondContact O-N 2.98Å; D102-T108 HydrophobicContact CB-CG2 4.38Å; D102-T108 PolarHBondContact N-OG1 3.44Å; D102-T108 PolarHBondContact O-OG1 3.38Å; D102-K135 VanDerWaalsContact OD2-CD 3.3Å; D102-K135 WeakPolarHBondContact OD2-CD 3.46Å; D102-K135 WeakPolarHBondContact OD2-CE 3.01Å; D102-K135 IonicContact OD2-NZ 3.95Å; D102-K135 PolarHBondContact OD2-NZ 2.87Å
103I98.4Very high97.6Very high0 Ų032.2 Ų32.20%017%0.173CC..THydrogen-bonded Turntrans-62.8-17.4-17965.4154.8000113.4Y101 N134 A143 V144Y101-I103 HydrophobicContact CE2-CG2 4Å; I103-N134 PolarHBondContact N-O 3.12Å; I103-N134 VanDerWaalsContact N-O 3.08Å; I103-A143 PolarHBondContact O-N 3.24Å; I103-V144 PolarHBondContact O-N 3.02Å
104T98.1Very high97.8Very high37 Ų3733.7 Ų33.723%0.22717%0.17CC..THydrogen-bonded Turntrans-88.5-3.2178.771.30000113D102 L138 K141 A143D102-T104 PolarHBondContact O-N 2.88Å; D102-T104 WeakPolarHBondContact OD1-CB 3.47Å; D102-T104 PolarHBondContact OD1-N 3.34Å; D102-T104 PolarHBondContact OD1-OG1 3.09Å; D102-T104 PolarHBondContact OD2-OG1 2.81Å; T104-L138 HydrophobicContact CG2-CB 3.68Å; T104-L138 HydrophobicContact CG2-CD1 4.23Å; T104-K141 WeakPolarHBondContact CA-O 3.44Å; T104-K141 WeakPolarHBondContact CB-O 3.4Å; T104-K141 HydrophobicContact CG2-CB 3.97Å; T104-A143 WeakPolarHBondContact O-CB 3.45Å
105N97.5Very high97.8Very high60 Ų6035 Ų3532%0.32118%0.175SC..  trans-139.6108.4-176.8-173.4-20000113D102 D107 T108D102-N105 HydrophobicContact CB-CB 4.38Å; D102-N105 PolarHBondContact O-N 2.98Å; N105-D107 VanDerWaalsContact C-N 3.3Å; N105-D107 PolarHBondContact O-N 3.01Å; N105-D107 WeakPolarHBondContact OD1-CB 3.43Å; N105-D107 PolarHBondContact OD1-N 2.81Å; N105-T108 HydrophobicContact CB-CG2 3.85Å; N105-T108 PolarHBondContact O-N 3.18Å; N105-T108 PolarHBondContact O-OG1 3.04Å
106T97.3Very high97.8Very high61 Ų6131.6 Ų31.637%0.37416%0.159SC..Hα-helixtrans-62.7-29.6-179.9-45.50000114T108 F109 T110 A143T106-T108 VanDerWaalsContact C-N 3.3Å; T106-T108 PolarHBondContact O-N 3.33Å; T106-F109 PolarHBondContact O-N 3.26Å; T106-T110 PolarHBondContact O-N 2.9Å; T106-T110 PolarHBondContact O-OG1 2.88Å; T106-A143 PolarHBondContact OG1-O 3.48Å
107D97.6Very high97.8Very high118 Ų11837.1 Ų37.163%0.63118%0.183SC*.Hα-helixtrans-65.6-38.8177.5-68.6-28.8000110.7N105 F109 T110 R111N105-D107 VanDerWaalsContact C-N 3.3Å; N105-D107 PolarHBondContact O-N 3.01Å; N105-D107 WeakPolarHBondContact OD1-CB 3.43Å; N105-D107 PolarHBondContact OD1-N 2.81Å; D107-F109 VanDerWaalsContact C-N 3.28Å; D107-F109 PolarHBondContact O-N 2.95Å; D107-T110 WeakPolarHBondContact O-CB 3.3Å; D107-T110 PolarHBondContact O-N 3.15Å; D107-R111 WeakPolarHBondContact O-CG 3.37Å; D107-R111 PolarHBondContact O-N 3.03Å
108T98Very high97.6Very high2 Ų238.7 Ų38.71%0.01219%0.191CC..Hα-helixtrans-65.3-35.1178730000111.7E29 V32 D102 N105 T106 R111 A112E29-T108 HydrophobicContact CB-CG2 4.34Å; E29-T108 WeakPolarHBondContact OE2-CG2 3.48Å; V32-T108 HydrophobicContact CG1-CG2 3.82Å; D102-T108 HydrophobicContact CB-CG2 4.38Å; D102-T108 PolarHBondContact N-OG1 3.44Å; D102-T108 PolarHBondContact O-OG1 3.38Å; N105-T108 HydrophobicContact CB-CG2 3.85Å; N105-T108 PolarHBondContact O-N 3.18Å; N105-T108 PolarHBondContact O-OG1 3.04Å; T106-T108 VanDerWaalsContact C-N 3.3Å; T106-T108 PolarHBondContact O-N 3.33Å; T108-R111 PolarHBondContact O-N 3.29Å; T108-A112 WeakPolarHBondContact O-CB 3.38Å; T108-A112 PolarHBondContact O-N 2.74Å
109F98.4Very high97.5Very high1 Ų138.7 Ų38.70%0.00419%0.191CC..Hα-helixtrans-68-42.3174-178.3-134.4000111.5Y101 T106 D107 R111 A112 K113 L131 V144 E148 A149 Y152Y101-F109 AromaticContact CD1-CD2 3.91Å; Y101-F109 HydrophobicContact CD1-CD2 3.91Å; Y101-F109 HydrophobicContact CD2-CB 3.77Å; Y101-F109 HydrophobicContact CD2-CD2 4.05Å; Y101-F109 HydrophobicContact CD2-CG 4.23Å; Y101-F109 AromaticContact CE1-CD2 3.94Å; Y101-F109 HydrophobicContact CE1-CD2 3.94Å; Y101-F109 HydrophobicContact CE1-CE2 4.26Å; Y101-F109 HydrophobicContact CE2-CB 4.26Å; Y101-F109 HydrophobicContact CE2-CD2 4.1Å; Y101-F109 HydrophobicContact CE2-CG 4.33Å; Y101-F109 HydrophobicContact CG-CB 4.14Å; Y101-F109 AromaticContact CG-CD2 3.97Å; Y101-F109 HydrophobicContact CG-CD2 3.97Å; Y101-F109 HydrophobicContact CG-CG 4.5Å; T106-F109 PolarHBondContact O-N 3.26Å; D107-F109 VanDerWaalsContact C-N 3.28Å; D107-F109 PolarHBondContact O-N 2.95Å; F109-R111 VanDerWaalsContact C-N 3.31Å; F109-R111 PolarHBondContact O-N 3.22Å; F109-A112 WeakPolarHBondContact O-CB 3.49Å; F109-A112 PolarHBondContact O-N 3.37Å; F109-A112 VanDerWaalsContact O-N 3.13Å; F109-K113 HydrophobicContact CE1-CD 4.49Å; F109-K113 HydrophobicContact CE2-CG 4.39Å; F109-K113 HydrophobicContact CZ-CD 4.44Å; F109-K113 WeakPolarHBondContact O-CG 3.21Å; F109-K113 PolarHBondContact O-N 3.07Å; F109-L131 HydrophobicContact CE2-CD2 4.03Å; F109-V144 HydrophobicContact CB-CG1 4.33Å; F109-V144 HydrophobicContact CB-CG2 3.81Å; F109-V144 HydrophobicContact CD1-CG1 3.59Å; F109-V144 HydrophobicContact CD1-CG2 4.29Å; F109-V144 HydrophobicContact CD2-CG1 4.49Å; F109-V144 HydrophobicContact CE1-CG1 3.9Å; F109-V144 HydrophobicContact CG-CG1 3.91Å; F109-V144 HydrophobicContact CG-CG2 4.29Å; F109-E148 HydrophobicContact CE1-CG 4.34Å; F109-E148 WeakPolarHBondContact CE1-OE1 3.44Å; F109-A149 HydrophobicContact CE2-CB 4.23Å; F109-A149 HydrophobicContact CZ-CB 4.04Å; F109-Y152 HydrophobicContact CE2-CD1 4.25Å; F109-Y152 HydrophobicContact CZ-CD1 4.28Å; F109-Y152 HydrophobicContact CZ-CG 4.32Å
110T97.9Very high97.3Very high68 Ų6843.4 Ų43.442%0.41721%0.213SC..Hα-helixtrans-59.5-42.4174-59.10000111.5T106 D107 K113 N114T106-T110 PolarHBondContact O-N 2.9Å; T106-T110 PolarHBondContact O-OG1 2.88Å; D107-T110 WeakPolarHBondContact O-CB 3.3Å; D107-T110 PolarHBondContact O-N 3.15Å; T110-K113 PolarHBondContact O-N 3.02Å; T110-N114 PolarHBondContact O-N 2.84Å
111R96.9Very high97.1Very high153 Ų15353.4 Ų53.458%0.57725%0.251SS*.Hα-helixtrans-65.9-37.8174.5-65.2-64.5-177.1176.2-0.3112.3D107 T108 F109 K113 N114 W115D107-R111 WeakPolarHBondContact O-CG 3.37Å; D107-R111 PolarHBondContact O-N 3.03Å; T108-R111 PolarHBondContact O-N 3.29Å; F109-R111 VanDerWaalsContact C-N 3.31Å; F109-R111 PolarHBondContact O-N 3.22Å; R111-K113 PolarHBondContact O-N 3.08Å; R111-N114 WeakPolarHBondContact O-CB 3.47Å; R111-N114 PolarHBondContact O-N 2.94Å; R111-N114 VanDerWaalsContact O-N 3.16Å; R111-W115 VanDerWaalsContact O-CD1 3.31Å; R111-W115 PolarHBondContact O-N 3.25Å; R111-W115 VanDerWaalsContact O-N 3.1Å
112A97.7Very high96.8Very high0 Ų058.7 Ų58.70%028%0.275CS..Hα-helixtrans-60.9-42173.600000112.3V99 T108 F109 N114 W115 V116 L131V99-A112 HydrophobicContact CG1-CB 3.6Å; T108-A112 WeakPolarHBondContact O-CB 3.38Å; T108-A112 PolarHBondContact O-N 2.74Å; F109-A112 WeakPolarHBondContact O-CB 3.49Å; F109-A112 PolarHBondContact O-N 3.37Å; F109-A112 VanDerWaalsContact O-N 3.13Å; A112-N114 PolarHBondContact O-N 3.21Å; A112-W115 WeakPolarHBondContact O-CB 3.37Å; A112-W115 PolarHBondContact O-N 2.87Å; A112-W115 VanDerWaalsContact O-N 3.1Å; A112-V116 WeakPolarHBondContact O-CG2 3.43Å; A112-V116 PolarHBondContact O-N 3.06Å; A112-L131 HydrophobicContact CB-CD1 4.16Å
113K97.9Very high96.5Very high47 Ų4758.9 Ų58.920%0.20428%0.279CS..Hα-helixtrans-57.6-36.2174-63.4-179-178172.40112.1F109 T110 R111 K117 E148 Y152F109-K113 HydrophobicContact CE1-CD 4.49Å; F109-K113 HydrophobicContact CE2-CG 4.39Å; F109-K113 HydrophobicContact CZ-CD 4.44Å; F109-K113 WeakPolarHBondContact O-CG 3.21Å; F109-K113 PolarHBondContact O-N 3.07Å; T110-K113 PolarHBondContact O-N 3.02Å; R111-K113 PolarHBondContact O-N 3.08Å; K113-K117 WeakPolarHBondContact O-CG 3.43Å; K113-K117 PolarHBondContact O-N 3.27Å; K113-E148 IonicContact NZ-OE1 3.44Å; K113-E148 PolarHBondContact NZ-OE1 3.41Å; K113-Y152 WeakPolarHBondContact CA-OH 3.26Å; K113-Y152 HydrophobicContact CB-CE1 4.43Å; K113-Y152 HydrophobicContact CB-CE2 4.28Å; K113-Y152 HydrophobicContact CD-CD2 4.12Å; K113-Y152 HydrophobicContact CD-CE2 3.98Å; K113-Y152 HydrophobicContact CG-CD1 4.25Å; K113-Y152 HydrophobicContact CG-CD2 4.26Å; K113-Y152 HydrophobicContact CG-CE1 3.79Å; K113-Y152 HydrophobicContact CG-CE2 3.81Å; K113-Y152 HydrophobicContact CG-CG 4.48Å
114N96.8Very high96Very high75 Ų7561.2 Ų61.240%0.40130%0.295SS..Hα-helixtrans-69-41.7175.9-64.7-23.7000112.1T110 R111 A112 V116 K117 E118T110-N114 PolarHBondContact O-N 2.84Å; R111-N114 WeakPolarHBondContact O-CB 3.47Å; R111-N114 PolarHBondContact O-N 2.94Å; R111-N114 VanDerWaalsContact O-N 3.16Å; A112-N114 PolarHBondContact O-N 3.21Å; N114-V116 VanDerWaalsContact C-N 3.33Å; N114-V116 PolarHBondContact O-N 3.04Å; N114-K117 PolarHBondContact O-N 2.8Å; N114-E118 WeakPolarHBondContact O-CB 3.34Å; N114-E118 PolarHBondContact O-N 2.97Å
115W96.6Very high95.4Very high28 Ų2865.8 Ų65.811%0.10633%0.325CS..Hα-helixtrans-60.2-41.7174.1-78118.9000112.6L27 H84 A87 V99 R111 A112 K117 E118 L119L27-W115 HydrophobicContact CB-CD2 4.19Å; L27-W115 HydrophobicContact CB-CE3 4.43Å; L27-W115 HydrophobicContact CB-CG 4.31Å; L27-W115 HydrophobicContact CD1-CE3 4.02Å; L27-W115 HydrophobicContact CD1-CZ3 4.44Å; L27-W115 HydrophobicContact CD2-CE3 4.34Å; L27-W115 HydrophobicContact CD2-CH2 4.32Å; L27-W115 HydrophobicContact CD2-CZ3 4.16Å; H84-W115 AromaticContact CE1-CH2 3.43Å; H84-W115 VanDerWaalsContact CE1-CH2 3.43Å; H84-W115 WeakPolarHBondContact CE1-CH2 3.46Å; H84-W115 AromaticContact CE1-CZ2 3.88Å; H84-W115 AromaticContact CE1-CZ3 3.8Å; H84-W115 AromaticContact ND1-CH2 3.01Å; H84-W115 WeakPolarHBondContact ND1-CH2 3.43Å; H84-W115 AromaticContact ND1-CZ2 3.3Å; H84-W115 VanDerWaalsContact ND1-CZ2 3.3Å; H84-W115 WeakPolarHBondContact ND1-CZ2 3.28Å; H84-W115 AromaticContact ND1-CZ3 3.85Å; A87-W115 HydrophobicContact CB-CH2 3.33Å; A87-W115 HydrophobicContact CB-CZ3 3.45Å; A87-W115 VanDerWaalsContact CB-CZ3 3.45Å; V99-W115 HydrophobicContact CG1-CB 3.83Å; V99-W115 HydrophobicContact CG2-CB 4.34Å; R111-W115 VanDerWaalsContact O-CD1 3.31Å; R111-W115 PolarHBondContact O-N 3.25Å; R111-W115 VanDerWaalsContact O-N 3.1Å; A112-W115 WeakPolarHBondContact O-CB 3.37Å; A112-W115 PolarHBondContact O-N 2.87Å; A112-W115 VanDerWaalsContact O-N 3.1Å; W115-K117 PolarHBondContact O-N 3.31Å; W115-E118 PolarHBondContact O-N 3.27Å; W115-L119 WeakPolarHBondContact O-CG 3.39Å; W115-L119 PolarHBondContact O-N 2.78Å
116V97.3Very high95Very high0 Ų069.9 Ų69.90%035%0.347CS..Hα-helixtrans-58.8-48.7175.1171.50000110.7V99 A112 N114 E118 L119 Q120 I129 Y152 L158V99-V116 HydrophobicContact CB-CG2 4.37Å; V99-V116 HydrophobicContact CG1-CG2 4.42Å; V99-V116 HydrophobicContact CG2-CG2 4.06Å; A112-V116 WeakPolarHBondContact O-CG2 3.43Å; A112-V116 PolarHBondContact O-N 3.06Å; N114-V116 VanDerWaalsContact C-N 3.33Å; N114-V116 PolarHBondContact O-N 3.04Å; V116-E118 VanDerWaalsContact C-N 3.3Å; V116-E118 PolarHBondContact O-N 3.35Å; V116-L119 PolarHBondContact O-N 2.84Å; V116-Q120 HydrophobicContact CG1-CG 4.45Å; V116-Q120 WeakPolarHBondContact O-CB 3.38Å; V116-Q120 WeakPolarHBondContact O-CG 3.22Å; V116-Q120 PolarHBondContact O-N 3.08Å; V116-I129 HydrophobicContact CG2-CG2 4.49Å; V116-Y152 HydrophobicContact CG2-CE1 4.44Å; V116-L158 HydrophobicContact CG1-CD1 3.92Å; V116-L158 HydrophobicContact CG1-CD2 3.93Å; V116-L158 HydrophobicContact CG2-CD1 3.88Å
117K96.4Very high94.8Very high116 Ų11668.1 Ų68.150%0.50434%0.335SS..Hα-helixtrans-60.9-38.6177.7-70.5173-177.7177.50112.4K113 N114 W115 R121K113-K117 WeakPolarHBondContact O-CG 3.43Å; K113-K117 PolarHBondContact O-N 3.27Å; N114-K117 PolarHBondContact O-N 2.8Å; W115-K117 PolarHBondContact O-N 3.31Å; K117-R121 WeakPolarHBondContact O-CB 3.37Å; K117-R121 PolarHBondContact O-N 3.46Å; K117-R121 VanDerWaalsContact O-N 3.13Å
118E95.3Very high94.8Very high33 Ų3363.2 Ų63.215%0.15431%0.309CS..Hα-helixtrans-66-47.1177.6-174.2173.2151.100111.7H84 Y91 N114 W115 V116 Q120 R121 Q122H84-E118 IonicContact CE1-OE2 3.28Å; H84-E118 PolarHBondContact CE1-OE2 2.73Å; H84-E118 IonicContact NE2-OE2 3.27Å; Y91-E118 PolarHBondContact OH-OE1 2.83Å; N114-E118 WeakPolarHBondContact O-CB 3.34Å; N114-E118 PolarHBondContact O-N 2.97Å; W115-E118 PolarHBondContact O-N 3.27Å; V116-E118 VanDerWaalsContact C-N 3.3Å; V116-E118 PolarHBondContact O-N 3.35Å; E118-Q120 PolarHBondContact O-N 2.91Å; E118-R121 PolarHBondContact O-N 3.41Å; E118-R121 VanDerWaalsContact O-N 3.14Å; E118-Q122 WeakPolarHBondContact O-CB 3.17Å; E118-Q122 PolarHBondContact O-N 2.57Å
119L96Very high94.8Very high1 Ų163.9 Ų63.91%0.00531%0.313CS..Hα-helixtrans-59-47175.2-74.1173.4000111.5L27 Y91 A97 V99 W115 V116 R121 Q122 A123 I127 I129L27-L119 HydrophobicContact CD1-CD1 4.01Å; L27-L119 HydrophobicContact CD1-CD2 3.72Å; L27-L119 HydrophobicContact CD1-CG 3.98Å; Y91-L119 HydrophobicContact CD1-CD2 4.09Å; Y91-L119 HydrophobicContact CD2-CD2 4.34Å; Y91-L119 HydrophobicContact CG-CD2 3.86Å; A97-L119 HydrophobicContact CB-CD1 3.58Å; A97-L119 HydrophobicContact CB-CD2 4.29Å; V99-L119 HydrophobicContact CG2-CD1 3.74Å; W115-L119 WeakPolarHBondContact O-CG 3.39Å; W115-L119 PolarHBondContact O-N 2.78Å; V116-L119 PolarHBondContact O-N 2.84Å; L119-R121 PolarHBondContact O-N 3.37Å; L119-Q122 PolarHBondContact O-N 3.35Å; L119-A123 HydrophobicContact CB-CB 4.39Å; L119-A123 HydrophobicContact CD2-CB 3.98Å; L119-A123 WeakPolarHBondContact O-CA 3.35Å; L119-A123 WeakPolarHBondContact O-CB 3.35Å; L119-A123 PolarHBondContact O-N 2.84Å; L119-I127 HydrophobicContact CD2-CD1 4.29Å; L119-I129 HydrophobicContact CB-CD1 3.8Å; L119-I129 HydrophobicContact CD1-CD1 4.22Å; L119-I129 HydrophobicContact CD1-CG1 4.37Å; L119-I129 HydrophobicContact CD1-CG2 4.19Å
120Q94.6Very high94.8Very high98 Ų9863.8 Ų63.846%0.45831%0.312SS..Hα-helixtrans-61-30.6177.8-73.5172.1-2100112.8V116 E118 I129V116-Q120 HydrophobicContact CG1-CG 4.45Å; V116-Q120 WeakPolarHBondContact O-CB 3.38Å; V116-Q120 WeakPolarHBondContact O-CG 3.22Å; V116-Q120 PolarHBondContact O-N 3.08Å; E118-Q120 PolarHBondContact O-N 2.91Å; Q120-I129 HydrophobicContact CG-CD1 4.04Å
121R93.8Very high94.9Very high211 Ų21160.6 Ų60.680%0.79629%0.293SS*.Hα-helixtrans-85.1-38-179.3-171.6-175.4-66.4-174-1.8113.2K117 E118 L119K117-R121 WeakPolarHBondContact O-CB 3.37Å; K117-R121 PolarHBondContact O-N 3.46Å; K117-R121 VanDerWaalsContact O-N 3.13Å; E118-R121 PolarHBondContact O-N 3.41Å; E118-R121 VanDerWaalsContact O-N 3.14Å; L119-R121 PolarHBondContact O-N 3.37Å
122Q92.4Very high94.9Very high111 Ų11153.3 Ų53.352%0.51927%0.265SS..Hα-helixtrans-119.4-20.6-165.1-58.2-167.626.300114.8Y91 E118 L119Y91-Q122 HydrophobicContact CE2-CB 3.99Å; Y91-Q122 PolarHBondContact OH-OE1 2.57Å; E118-Q122 WeakPolarHBondContact O-CB 3.17Å; E118-Q122 PolarHBondContact O-N 2.57Å; L119-Q122 PolarHBondContact O-N 3.35Å
123A92.3Very high95Very high17 Ų1753.3 Ų53.314%0.1427%0.265CS..SBendtrans-81-178178.800000111.3Y91 L119 I127Y91-A123 HydrophobicContact CD2-CB 4.01Å; Y91-A123 HydrophobicContact CE2-CB 4.47Å; L119-A123 HydrophobicContact CB-CB 4.39Å; L119-A123 HydrophobicContact CD2-CB 3.98Å; L119-A123 WeakPolarHBondContact O-CA 3.35Å; L119-A123 WeakPolarHBondContact O-CB 3.35Å; L119-A123 PolarHBondContact O-N 2.84Å; A123-I127 HydrophobicContact CB-CD1 3.91Å; A123-I127 HydrophobicContact CB-CG2 4.12Å
124S88.3Confident95Very high49 Ų4951.2 Ų51.234%0.34326%0.256SS..  trans-63.1138.3178.4-65.30000111.1N126 I127S124-N126 PolarHBondContact O-N 2.85Å; S124-I127 WeakPolarHBondContact O-CB 3.34Å; S124-I127 VanDerWaalsContact O-CG2 3.22Å; S124-I127 WeakPolarHBondContact O-CG2 3.44Å; S124-I127 PolarHBondContact O-N 2.59Å
125P84.4Confident95.1Very high132 Ų13250.2 Ų50.286%0.85725%0.248SC*.THydrogen-bonded Turntrans-56.8-23.9-175.6-27.734.4000115.5
126N88.4Confident95.1Very high147 Ų14749.5 Ų49.579%0.78625%0.248SC*.THydrogen-bonded Turntrans-107.820.8-178.1-60.6-36.7000112.8S124 V128S124-N126 PolarHBondContact O-N 2.85Å; N126-V128 PolarHBondContact O-N 3.36Å
127I94.9Very high95.1Very high23 Ų2352.1 Ų52.112%0.11826%0.262CS..  trans-65.8130.2178.5-168.9170.6000110.4A94 A97 L119 A123 S124 I129A94-I127 HydrophobicContact CB-CD1 4.33Å; A97-I127 HydrophobicContact CB-CD1 3.89Å; L119-I127 HydrophobicContact CD2-CD1 4.29Å; A123-I127 HydrophobicContact CB-CD1 3.91Å; A123-I127 HydrophobicContact CB-CG2 4.12Å; S124-I127 WeakPolarHBondContact O-CB 3.34Å; S124-I127 VanDerWaalsContact O-CG2 3.22Å; S124-I127 WeakPolarHBondContact O-CG2 3.44Å; S124-I127 PolarHBondContact O-N 2.59Å; I127-I129 HydrophobicContact CG2-CD1 4.09Å; I127-I129 HydrophobicContact CG2-CG1 3.89Å; I127-I129 PolarHBondContact O-N 3.39Å
128V96.9Very high95.1Very high15 Ų1549.2 Ų49.29%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-81.1115171.5178.40000108.5Q95 A96 A97 N126 L159 I178 K181 L182Q95-V128 PolarHBondContact O-N 2.87Å; A96-V128 CarbonylContact C-O 3.55Å; A96-V128 VanDerWaalsContact CA-O 3.22Å; A96-V128 WeakPolarHBondContact CA-O 3.47Å; A96-V128 HydrophobicContact CB-CB 4.44Å; A97-V128 PolarHBondContact N-O 3.42Å; N126-V128 PolarHBondContact O-N 3.36Å; V128-L159 HydrophobicContact CG1-CD1 3.87Å; V128-I178 HydrophobicContact CG1-CG2 4.44Å; V128-K181 HydrophobicContact CG1-CB 4.21Å; V128-K181 HydrophobicContact CG1-CD 4.11Å; V128-K181 HydrophobicContact CG1-CG 4.26Å; V128-K181 HydrophobicContact CG2-CB 4.35Å; V128-K181 HydrophobicContact CG2-CG 4.17Å; V128-L182 HydrophobicContact CB-CD2 4.43Å; V128-L182 HydrophobicContact CG2-CD2 3.94Å; V128-L182 HydrophobicContact CG2-CG 4.41Å
129I98Very high95.1Very high16 Ų1650.1 Ų50.18%0.08227%0.265CS..EExtended strand (participates in β ladder)trans-103.1129178.5-51.3177000109.3V99 V116 L119 Q120 I127 L158 L159V99-I129 HydrophobicContact CG2-CG2 4.15Å; V116-I129 HydrophobicContact CG2-CG2 4.49Å; L119-I129 HydrophobicContact CB-CD1 3.8Å; L119-I129 HydrophobicContact CD1-CD1 4.22Å; L119-I129 HydrophobicContact CD1-CG1 4.37Å; L119-I129 HydrophobicContact CD1-CG2 4.19Å; Q120-I129 HydrophobicContact CG-CD1 4.04Å; I127-I129 HydrophobicContact CG2-CD1 4.09Å; I127-I129 HydrophobicContact CG2-CG1 3.89Å; I127-I129 PolarHBondContact O-N 3.39Å; I129-L158 HydrophobicContact CB-CD2 3.85Å; I129-L158 HydrophobicContact CG2-CD2 3.88Å; I129-L159 PolarHBondContact O-N 2.94Å
130A98.4Very high95.1Very high0 Ų056.6 Ų56.60%030%0.3CS..EExtended strand (participates in β ladder)trans-116.1134.4170.200000110.5A97 I98 V99 L159 I174 I178A97-A130 PolarHBondContact O-N 2.8Å; I98-A130 CarbonylContact C-O 3.59Å; I98-A130 WeakPolarHBondContact CA-O 3.44Å; I98-A130 HydrophobicContact CG1-CB 4.42Å; V99-A130 PolarHBondContact N-O 3.5Å; A130-L159 CarbonylContact C-O 3.55Å; A130-L159 VanDerWaalsContact CA-O 3.27Å; A130-L159 WeakPolarHBondContact CA-O 3.27Å; A130-L159 HydrophobicContact CB-CB 3.86Å; A130-I174 HydrophobicContact CB-CD1 4.11Å; A130-I174 HydrophobicContact CB-CG1 4.17Å; A130-I178 HydrophobicContact CB-CD1 3.79Å; A130-I178 HydrophobicContact CB-CG1 4.04Å
131L98.7Very high95.2Very high0 Ų058.6 Ų58.60%031%0.307CS..EExtended strand (participates in β ladder)trans-97.3126.8170.5-178.869.5000108.8V99 Y101 F109 A112 Y152 A153 L158 L159 F160 M161V99-L131 HydrophobicContact CB-CD1 4.38Å; V99-L131 HydrophobicContact CG1-CD1 4.43Å; V99-L131 CarbonylContact O-C 3.58Å; V99-L131 WeakPolarHBondContact O-CA 3.3Å; Y101-L131 HydrophobicContact CD1-CD1 3.77Å; Y101-L131 HydrophobicContact CD1-CG 4.19Å; Y101-L131 HydrophobicContact CE1-CD1 4.01Å; Y101-L131 HydrophobicContact CE1-CD2 4.16Å; Y101-L131 HydrophobicContact CE1-CG 3.91Å; F109-L131 HydrophobicContact CE2-CD2 4.03Å; A112-L131 HydrophobicContact CB-CD1 4.16Å; L131-Y152 HydrophobicContact CD2-CD1 4.04Å; L131-Y152 HydrophobicContact CD2-CE1 4.5Å; L131-A153 HydrophobicContact CD2-CB 4.46Å; L131-L158 HydrophobicContact CB-CD1 4.21Å; L131-L159 PolarHBondContact N-O 3.46Å; L131-F160 HydrophobicContact CB-CD2 4.04Å; L131-F160 HydrophobicContact CD2-CD2 3.79Å; L131-F160 HydrophobicContact CD2-CE2 4.19Å; L131-F160 HydrophobicContact CG-CD2 3.89Å; L131-F160 HydrophobicContact CG-CE2 4.36Å; L131-F160 WeakPolarHBondContact O-CA 2.86Å; L131-F160 WeakPolarHBondContact O-CD2 3.45Å; L131-M161 PolarHBondContact O-N 3.27Å
132A98.7Very high95.4Very high0 Ų052.2 Ų52.20%028%0.283CS..EExtended strand (participates in β ladder)trans-118.2112.9179.900000110.6I98 V99 V100 Y101 N134 M161 T163 I174I98-A132 HydrophobicContact CG2-CB 3.84Å; V99-A132 PolarHBondContact O-N 3.25Å; V100-A132 WeakPolarHBondContact CA-O 3.14Å; V100-A132 HydrophobicContact CG1-CB 4.49Å; V100-A132 HydrophobicContact CG2-CB 4.27Å; Y101-A132 WeakPolarHBondContact CD1-O 3.29Å; Y101-A132 PolarHBondContact N-O 3.18Å; A132-N134 PolarHBondContact O-N 2.96Å; A132-M161 WeakPolarHBondContact CA-O 3.48Å; A132-T163 HydrophobicContact CB-CG2 4.47Å; A132-I174 HydrophobicContact CB-CD1 3.66Å
133G98.5Very high95.6Very high0 Ų049.2 Ų49.20%028%0.277CS..EExtended strand (participates in β ladder)trans-83.193.7169.100000110M161 E162 T163G133-M161 PolarHBondContact N-O 3.25Å; G133-M161 VanDerWaalsContact N-O 3.08Å; G133-E162 CarbonylContact O-C 3.4Å; G133-E162 WeakPolarHBondContact O-CA 3.16Å; G133-T163 PolarHBondContact O-N 3.48Å
134N98.5Very high95.9Very high4 Ų448.4 Ų48.42%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-85166-174.9-169.532.4000112.3V32 V100 Y101 I103 A132 T163 A165V32-N134 PolarHBondContact O-ND2 3.21Å; V100-N134 HydrophobicContact CG1-CB 3.73Å; Y101-N134 PolarHBondContact O-N 3.47Å; I103-N134 PolarHBondContact N-O 3.12Å; I103-N134 VanDerWaalsContact N-O 3.08Å; A132-N134 PolarHBondContact O-N 2.96Å; N134-T163 CarbonylContact C-O 3.54Å; N134-T163 VanDerWaalsContact CA-O 3.28Å; N134-T163 WeakPolarHBondContact CA-O 3.24Å; N134-T163 PolarHBondContact OD1-O 2.88Å; N134-A165 PolarHBondContact OD1-N 2.88Å
135K98Very high96.3Very high54 Ų5449.8 Ų49.824%0.23527%0.274CS..  trans68.535.1-176.2-44.8-171.1-165.1169.20113.4A31 D102 D137 L138 T163A31-K135 WeakPolarHBondContact O-CE 3.3Å; A31-K135 PolarHBondContact O-NZ 3.38Å; D102-K135 VanDerWaalsContact OD2-CD 3.3Å; D102-K135 WeakPolarHBondContact OD2-CD 3.46Å; D102-K135 WeakPolarHBondContact OD2-CE 3.01Å; D102-K135 IonicContact OD2-NZ 3.95Å; D102-K135 PolarHBondContact OD2-NZ 2.87Å; K135-D137 WeakPolarHBondContact CA-OD1 3.18Å; K135-D137 PolarHBondContact O-N 2.9Å; K135-L138 HydrophobicContact CB-CD1 4.28Å; K135-L138 HydrophobicContact CD-CD1 4.36Å; K135-L138 WeakPolarHBondContact O-CB 3.2Å; K135-L138 PolarHBondContact O-N 2.83Å; K135-T163 PolarHBondContact N-O 3.43Å
136A97.8Very high96.9Very high12 Ų1247.6 Ų47.610%0.09925%0.251CS..G310 helixtrans-56.3-21.8174.700000113.8L138 A139 E162 T163 M169A136-L138 PolarHBondContact O-N 3.37Å; A136-A139 WeakPolarHBondContact O-CB 3.29Å; A136-A139 PolarHBondContact O-N 3.03Å; A136-E162 HydrophobicContact CB-CB 4.24Å; A136-T163 WeakPolarHBondContact CB-O 3.06Å; A136-T163 PolarHBondContact N-O 3.47Å; A136-M169 HydrophobicContact CB-CE 3.68Å; A136-M169 HydrophobicContact CB-SD 3.98Å
137D97.8Very high97.3Very high55 Ų5547.7 Ų47.729%0.29425%0.247SC..G310 helixtrans-63-17170.955.7-74.9000114.1K135 S164 K166 T167K135-D137 WeakPolarHBondContact CA-OD1 3.18Å; K135-D137 PolarHBondContact O-N 2.9Å; D137-S164 WeakPolarHBondContact OD1-CB 3.3Å; D137-S164 PolarHBondContact OD1-OG 2.84Å; D137-K166 WeakPolarHBondContact OD2-CD 3.47Å; D137-T167 HydrophobicContact CB-CG2 3.88Å
138L96.5Very high97.4Very high55 Ų5550.7 Ų50.729%0.28826%0.261SS..G310 helixtrans-102.931.4175.9-57179.3000112.3T104 K135 A136 N140 K141T104-L138 HydrophobicContact CG2-CB 3.68Å; T104-L138 HydrophobicContact CG2-CD1 4.23Å; K135-L138 HydrophobicContact CB-CD1 4.28Å; K135-L138 HydrophobicContact CD-CD1 4.36Å; K135-L138 WeakPolarHBondContact O-CB 3.2Å; K135-L138 PolarHBondContact O-N 2.83Å; A136-L138 PolarHBondContact O-N 3.37Å; L138-N140 VanDerWaalsContact C-OD1 3.31Å; L138-N140 PolarHBondContact O-N 3.29Å; L138-N140 PolarHBondContact O-OD1 2.89Å; L138-K141 PolarHBondContact O-N 2.64Å
139A94.4Very high97.4Very high53 Ų5350 Ų5044%0.43826%0.256SS..G310 helixtrans-54.9-25.3-179.100000114A136 K141 R142A136-A139 WeakPolarHBondContact O-CB 3.29Å; A136-A139 PolarHBondContact O-N 3.03Å; A139-K141 PolarHBondContact O-N 2.88Å; A139-R142 WeakPolarHBondContact O-CB 3.17Å; A139-R142 PolarHBondContact O-N 3.47Å
140N95.9Very high97.4Very high137 Ų13751.9 Ų51.973%0.73327%0.265SS*.G310 helixtrans-68.4-17173.259.3-30.9000114.4L138L138-N140 VanDerWaalsContact C-OD1 3.31Å; L138-N140 PolarHBondContact O-N 3.29Å; L138-N140 PolarHBondContact O-OD1 2.89Å
141K96.6Very high97.4Very high140 Ų14054.1 Ų54.161%0.60928%0.283SS*.G310 helixtrans-11119.7175.2-61.7-177179.5-179.30112.1T104 L138 A139 A143T104-K141 WeakPolarHBondContact CA-O 3.44Å; T104-K141 WeakPolarHBondContact CB-O 3.4Å; T104-K141 HydrophobicContact CG2-CB 3.97Å; L138-K141 PolarHBondContact O-N 2.64Å; A139-K141 PolarHBondContact O-N 2.88Å; K141-A143 PolarHBondContact O-N 3.45Å
142R97.5Very high97.4Very high76 Ų7655.4 Ų55.429%0.28729%0.288SS..  trans-58.1129.5-177.8176.9-178.9-68.3-82.53.2111A139 V144 E162A139-R142 WeakPolarHBondContact O-CB 3.17Å; A139-R142 PolarHBondContact O-N 3.47Å; R142-V144 VanDerWaalsContact CD-O 3.3Å; R142-V144 WeakPolarHBondContact CD-O 3.21Å; R142-V144 WeakPolarHBondContact CG-O 3.46Å; R142-V144 PolarHBondContact NH1-O 3.04Å; R142-E162 IonicContact CZ-OE1 3.86Å; R142-E162 VanDerWaalsContact CZ-OE1 3.28Å; R142-E162 IonicContact CZ-OE2 2.67Å; R142-E162 IonicContact NH1-OE1 3.04Å; R142-E162 PolarHBondContact NH1-OE1 3.33Å; R142-E162 IonicContact NH1-OE2 3.18Å; R142-E162 VanDerWaalsContact NH2-CD 3.27Å; R142-E162 IonicContact NH2-OE1 2.74Å; R142-E162 PolarHBondContact NH2-OE1 3.17Å; R142-E162 IonicContact NH2-OE2 2.64Å; R142-E162 PolarHBondContact NH2-OE2 3.14Å
143A97.6Very high97.4Very high49 Ų4955.4 Ų55.441%0.40529%0.288SS..  trans-114.8-17.3172.600000112.4I103 T104 T106 K141I103-A143 PolarHBondContact O-N 3.24Å; T104-A143 WeakPolarHBondContact O-CB 3.45Å; T106-A143 PolarHBondContact OG1-O 3.48Å; K141-A143 PolarHBondContact O-N 3.45Å
144V97.3Very high97.3Very high0 Ų060 Ų600%031%0.313CS..SBendtrans-112.5120.7176.4-1770000108.9Y101 I103 F109 R142 A149Y101-V144 HydrophobicContact CD2-CG2 4.42Å; Y101-V144 HydrophobicContact CE2-CB 3.99Å; Y101-V144 HydrophobicContact CE2-CG1 3.81Å; Y101-V144 HydrophobicContact CE2-CG2 4.15Å; I103-V144 PolarHBondContact O-N 3.02Å; F109-V144 HydrophobicContact CB-CG1 4.33Å; F109-V144 HydrophobicContact CB-CG2 3.81Å; F109-V144 HydrophobicContact CD1-CG1 3.59Å; F109-V144 HydrophobicContact CD1-CG2 4.29Å; F109-V144 HydrophobicContact CD2-CG1 4.49Å; F109-V144 HydrophobicContact CE1-CG1 3.9Å; F109-V144 HydrophobicContact CG-CG1 3.91Å; F109-V144 HydrophobicContact CG-CG2 4.29Å; R142-V144 VanDerWaalsContact CD-O 3.3Å; R142-V144 WeakPolarHBondContact CD-O 3.21Å; R142-V144 WeakPolarHBondContact CG-O 3.46Å; R142-V144 PolarHBondContact NH1-O 3.04Å; V144-A149 HydrophobicContact CG1-CB 4.35Å
145D97.3Very high97.2Very high78 Ų7866.2 Ų66.242%0.41735%0.346SS..  trans-70.6143.8179-174.657.3000111.6Q147 E148 A149D145-Q147 VanDerWaalsContact C-N 3.33Å; D145-Q147 PolarHBondContact O-N 2.93Å; D145-Q147 WeakPolarHBondContact OD2-CA 3.3Å; D145-Q147 WeakPolarHBondContact OD2-CB 3.19Å; D145-Q147 PolarHBondContact OD2-N 3.49Å; D145-E148 HydrophobicContact CB-CB 4.22Å; D145-E148 PolarHBondContact O-N 3.39Å; D145-E148 PolarHBondContact OD2-N 2.88Å; D145-A149 PolarHBondContact O-N 2.87Å; D145-A149 VanDerWaalsContact O-N 3.17Å
146F96.9Very high97.1Very high86 Ų8665.6 Ų65.638%0.37735%0.345SS..Hα-helixtrans-62.9-42.1179.3178.2-89.3000111.2E148 A149 Q150 F160 E162F146-E148 VanDerWaalsContact C-N 3.35Å; F146-A149 PolarHBondContact O-N 3.07Å; F146-Q150 HydrophobicContact CD1-CB 4.46Å; F146-Q150 HydrophobicContact CE1-CB 4.14Å; F146-Q150 HydrophobicContact CE1-CG 4.41Å; F146-Q150 VanDerWaalsContact O-CB 3.3Å; F146-Q150 WeakPolarHBondContact O-CB 3.45Å; F146-Q150 PolarHBondContact O-N 3.03Å; F146-F160 AromaticContact CD2-CE1 3.92Å; F146-F160 HydrophobicContact CD2-CE1 3.92Å; F146-F160 HydrophobicContact CD2-CZ 4.25Å; F146-F160 HydrophobicContact CE2-CD1 4.42Å; F146-F160 AromaticContact CE2-CE1 3.53Å; F146-F160 HydrophobicContact CE2-CE1 3.53Å; F146-F160 HydrophobicContact CE2-CZ 4.18Å; F146-F160 HydrophobicContact CZ-CD1 4.47Å; F146-F160 AromaticContact CZ-CE1 3.89Å; F146-F160 HydrophobicContact CZ-CE1 3.89Å; F146-E162 HydrophobicContact CD2-CG 3.76Å; F146-E162 HydrophobicContact CE2-CG 3.98Å
147Q97.3Very high97Very high149 Ų14969.7 Ų69.770%0.69637%0.373SS*.Hα-helixtrans-69.3-36.7-176.8-54.4-179-1.100110.9D145 Q150 A151D145-Q147 VanDerWaalsContact C-N 3.33Å; D145-Q147 PolarHBondContact O-N 2.93Å; D145-Q147 WeakPolarHBondContact OD2-CA 3.3Å; D145-Q147 WeakPolarHBondContact OD2-CB 3.19Å; D145-Q147 PolarHBondContact OD2-N 3.49Å; Q147-Q150 PolarHBondContact O-N 2.85Å; Q147-A151 VanDerWaalsContact O-CB 3.29Å; Q147-A151 WeakPolarHBondContact O-CB 3.33Å; Q147-A151 PolarHBondContact O-N 2.67Å
148E97.1Very high97Very high86 Ų8667.7 Ų67.740%0.40236%0.363SS..Hα-helixtrans-60.2-47.5173.4-169.2-160.5155.900111.3F109 K113 D145 F146 Y152F109-E148 HydrophobicContact CE1-CG 4.34Å; F109-E148 WeakPolarHBondContact CE1-OE1 3.44Å; K113-E148 IonicContact NZ-OE1 3.44Å; K113-E148 PolarHBondContact NZ-OE1 3.41Å; D145-E148 HydrophobicContact CB-CB 4.22Å; D145-E148 PolarHBondContact O-N 3.39Å; D145-E148 PolarHBondContact OD2-N 2.88Å; F146-E148 VanDerWaalsContact C-N 3.35Å; E148-Y152 WeakPolarHBondContact O-CB 3.39Å; E148-Y152 PolarHBondContact O-N 3.27Å
149A97.4Very high97.1Very high0 Ų066.9 Ų66.90%036%0.358CS..Hα-helixtrans-67.9-39.2-179.900000112.7Y101 F109 V144 D145 F146 Y152 A153 F160Y101-A149 WeakPolarHBondContact OH-CB 3.47Å; F109-A149 HydrophobicContact CE2-CB 4.23Å; F109-A149 HydrophobicContact CZ-CB 4.04Å; V144-A149 HydrophobicContact CG1-CB 4.35Å; D145-A149 PolarHBondContact O-N 2.87Å; D145-A149 VanDerWaalsContact O-N 3.17Å; F146-A149 PolarHBondContact O-N 3.07Å; A149-Y152 PolarHBondContact O-N 3.02Å; A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 2.95Å; A149-F160 HydrophobicContact CB-CE1 4.15Å; A149-F160 HydrophobicContact CB-CE2 3.8Å; A149-F160 HydrophobicContact CB-CZ 3.48Å; A149-F160 VanDerWaalsContact CB-CZ 3.48Å
150Q97.9Very high97.3Very high56 Ų5665.4 Ų65.426%0.26234%0.342SS..Hα-helixtrans-63.8-49.9175.4-178.366.968.700111.3F146 Q147 Y152 A153 D154 F160F146-Q150 HydrophobicContact CD1-CB 4.46Å; F146-Q150 HydrophobicContact CE1-CB 4.14Å; F146-Q150 HydrophobicContact CE1-CG 4.41Å; F146-Q150 VanDerWaalsContact O-CB 3.3Å; F146-Q150 WeakPolarHBondContact O-CB 3.45Å; F146-Q150 PolarHBondContact O-N 3.03Å; Q147-Q150 PolarHBondContact O-N 2.85Å; Q150-Y152 VanDerWaalsContact C-N 3.31Å; Q150-Y152 PolarHBondContact O-N 2.99Å; Q150-A153 WeakPolarHBondContact O-CB 3.48Å; Q150-A153 PolarHBondContact O-N 2.81Å; Q150-D154 PolarHBondContact NE2-OD1 3.16Å; Q150-D154 PolarHBondContact NE2-OD2 3.26Å; Q150-D154 VanDerWaalsContact O-CG 3.29Å; Q150-D154 PolarHBondContact O-N 3.21Å; Q150-F160 HydrophobicContact CB-CD1 4.05Å; Q150-F160 HydrophobicContact CB-CE1 4.02Å
151A98.1Very high97.4Very high47 Ų4761.2 Ų61.239%0.38832%0.319SS..Hα-helixtrans-58.3-44.117700000111.5Q147 A153 D154 D155Q147-A151 VanDerWaalsContact O-CB 3.29Å; Q147-A151 WeakPolarHBondContact O-CB 3.33Å; Q147-A151 PolarHBondContact O-N 2.67Å; A151-A153 VanDerWaalsContact C-N 3.31Å; A151-A153 PolarHBondContact O-N 2.67Å; A151-D154 PolarHBondContact O-N 3.1Å; A151-D155 WeakPolarHBondContact O-CB 3.36Å; A151-D155 VanDerWaalsContact O-CG 3.24Å; A151-D155 PolarHBondContact O-N 2.77Å
152Y98.2Very high97.5Very high27 Ų2755.2 Ų55.211%0.10629%0.293CS..Hα-helixtrans-60-41.4174.9175.8-99.6000112.4F109 K113 V116 L131 E148 A149 Q150 N156 L158F109-Y152 HydrophobicContact CE2-CD1 4.25Å; F109-Y152 HydrophobicContact CZ-CD1 4.28Å; F109-Y152 HydrophobicContact CZ-CG 4.32Å; K113-Y152 WeakPolarHBondContact CA-OH 3.26Å; K113-Y152 HydrophobicContact CB-CE1 4.43Å; K113-Y152 HydrophobicContact CB-CE2 4.28Å; K113-Y152 HydrophobicContact CD-CD2 4.12Å; K113-Y152 HydrophobicContact CD-CE2 3.98Å; K113-Y152 HydrophobicContact CG-CD1 4.25Å; K113-Y152 HydrophobicContact CG-CD2 4.26Å; K113-Y152 HydrophobicContact CG-CE1 3.79Å; K113-Y152 HydrophobicContact CG-CE2 3.81Å; K113-Y152 HydrophobicContact CG-CG 4.48Å; V116-Y152 HydrophobicContact CG2-CE1 4.44Å; L131-Y152 HydrophobicContact CD2-CD1 4.04Å; L131-Y152 HydrophobicContact CD2-CE1 4.5Å; E148-Y152 WeakPolarHBondContact O-CB 3.39Å; E148-Y152 PolarHBondContact O-N 3.27Å; A149-Y152 PolarHBondContact O-N 3.02Å; Q150-Y152 VanDerWaalsContact C-N 3.31Å; Q150-Y152 PolarHBondContact O-N 2.99Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.36Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.45Å; Y152-N156 WeakPolarHBondContact O-CB 3.5Å; Y152-N156 PolarHBondContact O-N 3.32Å; Y152-N156 PolarHBondContact O-ND2 2.91Å; Y152-L158 HydrophobicContact CD1-CD1 4.46Å; Y152-L158 HydrophobicContact CE1-CD1 3.99Å
153A97.8Very high97.5Very high0 Ų051.6 Ų51.60%028%0.279CS..Hα-helixtrans-65-43.4177.800000112.1L131 A149 Q150 A151 N156 S157 L158 F160L131-A153 HydrophobicContact CD2-CB 4.46Å; A149-A153 WeakPolarHBondContact O-CB 3.48Å; A149-A153 PolarHBondContact O-N 2.95Å; Q150-A153 WeakPolarHBondContact O-CB 3.48Å; Q150-A153 PolarHBondContact O-N 2.81Å; A151-A153 VanDerWaalsContact C-N 3.31Å; A151-A153 PolarHBondContact O-N 2.67Å; A153-N156 CarbonylContact O-C 3.53Å; A153-N156 PolarHBondContact O-N 3.26Å; A153-S157 PolarHBondContact O-N 3.5Å; A153-L158 HydrophobicContact CB-CB 4.12Å; A153-L158 PolarHBondContact O-N 3.25Å; A153-F160 HydrophobicContact CB-CB 3.42Å; A153-F160 VanDerWaalsContact CB-CB 3.42Å; A153-F160 HydrophobicContact CB-CG 4.04Å
154D97.4Very high97.5Very high95 Ų9549.3 Ų49.351%0.50826%0.26SS..Hα-helixtrans-64.4-46.7179.2-64.9-25.8000111Q150 A151 N156 S157Q150-D154 PolarHBondContact NE2-OD1 3.16Å; Q150-D154 PolarHBondContact NE2-OD2 3.26Å; Q150-D154 VanDerWaalsContact O-CG 3.29Å; Q150-D154 PolarHBondContact O-N 3.21Å; A151-D154 PolarHBondContact O-N 3.1Å; D154-N156 PolarHBondContact O-N 2.97Å; D154-N156 VanDerWaalsContact O-N 3.15Å; D154-S157 PolarHBondContact O-N 2.9Å
155D97.3Very high97.6Very high135 Ų13549.4 Ų49.472%0.72226%0.261SS*.Hα-helixtrans-58.3-29.3176.4-73.9-14.4000112.7A151A151-D155 WeakPolarHBondContact O-CB 3.36Å; A151-D155 VanDerWaalsContact O-CG 3.24Å; A151-D155 PolarHBondContact O-N 2.77Å
156N95.9Very high97.6Very high41 Ų4150.1 Ų50.122%0.21926%0.26CS..THydrogen-bonded Turntrans-104.37.5-179.1-69.6-94000113.1Y152 A153 D154 L158Y152-N156 WeakPolarHBondContact CD2-ND2 3.36Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.45Å; Y152-N156 WeakPolarHBondContact O-CB 3.5Å; Y152-N156 PolarHBondContact O-N 3.32Å; Y152-N156 PolarHBondContact O-ND2 2.91Å; A153-N156 CarbonylContact O-C 3.53Å; A153-N156 PolarHBondContact O-N 3.26Å; D154-N156 PolarHBondContact O-N 2.97Å; D154-N156 VanDerWaalsContact O-N 3.15Å; N156-L158 HydrophobicContact CB-CD1 3.98Å; N156-L158 HydrophobicContact CB-CD2 4.02Å; N156-L158 HydrophobicContact CB-CG 3.7Å; N156-L158 WeakPolarHBondContact O-CD2 3.09Å; N156-L158 PolarHBondContact O-N 3.38Å
157S95.4Very high97.6Very high99 Ų9950 Ų5069%0.69227%0.267SS*.THydrogen-bonded Turntrans55.233.9-179.1-60.30000114.5A153 D154A153-S157 PolarHBondContact O-N 3.5Å; D154-S157 PolarHBondContact O-N 2.9Å
158L97.3Very high97.6Very high13 Ų1344.7 Ų44.77%0.06825%0.248CC..  trans-86.6153.9179.9-44.9179.1000110.5V116 I129 L131 Y152 A153 N156V116-L158 HydrophobicContact CG1-CD1 3.92Å; V116-L158 HydrophobicContact CG1-CD2 3.93Å; V116-L158 HydrophobicContact CG2-CD1 3.88Å; I129-L158 HydrophobicContact CB-CD2 3.85Å; I129-L158 HydrophobicContact CG2-CD2 3.88Å; L131-L158 HydrophobicContact CB-CD1 4.21Å; Y152-L158 HydrophobicContact CD1-CD1 4.46Å; Y152-L158 HydrophobicContact CE1-CD1 3.99Å; A153-L158 HydrophobicContact CB-CB 4.12Å; A153-L158 PolarHBondContact O-N 3.25Å; N156-L158 HydrophobicContact CB-CD1 3.98Å; N156-L158 HydrophobicContact CB-CD2 4.02Å; N156-L158 HydrophobicContact CB-CG 3.7Å; N156-L158 WeakPolarHBondContact O-CD2 3.09Å; N156-L158 PolarHBondContact O-N 3.38Å
159L97.8Very high97.6Very high38 Ų3844.2 Ų44.220%0.19925%0.247CC..EExtended strand (participates in β ladder)trans-73.5139.4158.3-64.1173.8000108.2V128 I129 A130 L131 A177 I178 K181V128-L159 HydrophobicContact CG1-CD1 3.87Å; I129-L159 PolarHBondContact O-N 2.94Å; A130-L159 CarbonylContact C-O 3.55Å; A130-L159 VanDerWaalsContact CA-O 3.27Å; A130-L159 WeakPolarHBondContact CA-O 3.27Å; A130-L159 HydrophobicContact CB-CB 3.86Å; L131-L159 PolarHBondContact N-O 3.46Å; L159-A177 HydrophobicContact CD1-CB 4.32Å; L159-I178 HydrophobicContact CD1-CG1 3.88Å; L159-K181 HydrophobicContact CD1-CD 4.09Å; L159-K181 HydrophobicContact CD2-CD 3.94Å; L159-K181 HydrophobicContact CG-CD 4.11Å
160F98.4Very high97.6Very high21 Ų2146.7 Ų46.79%0.09226%0.26CS..EExtended strand (participates in β ladder)trans-134.8135175.7173.6-113.1000112Y101 L131 F146 A149 Q150 A153 E162Y101-F160 HydrophobicContact CE1-CE2 4.12Å; Y101-F160 WeakPolarHBondContact OH-CE2 3.08Å; L131-F160 HydrophobicContact CB-CD2 4.04Å; L131-F160 HydrophobicContact CD2-CD2 3.79Å; L131-F160 HydrophobicContact CD2-CE2 4.19Å; L131-F160 HydrophobicContact CG-CD2 3.89Å; L131-F160 HydrophobicContact CG-CE2 4.36Å; L131-F160 WeakPolarHBondContact O-CA 2.86Å; L131-F160 WeakPolarHBondContact O-CD2 3.45Å; F146-F160 AromaticContact CD2-CE1 3.92Å; F146-F160 HydrophobicContact CD2-CE1 3.92Å; F146-F160 HydrophobicContact CD2-CZ 4.25Å; F146-F160 HydrophobicContact CE2-CD1 4.42Å; F146-F160 AromaticContact CE2-CE1 3.53Å; F146-F160 HydrophobicContact CE2-CE1 3.53Å; F146-F160 HydrophobicContact CE2-CZ 4.18Å; F146-F160 HydrophobicContact CZ-CD1 4.47Å; F146-F160 AromaticContact CZ-CE1 3.89Å; F146-F160 HydrophobicContact CZ-CE1 3.89Å; A149-F160 HydrophobicContact CB-CE1 4.15Å; A149-F160 HydrophobicContact CB-CE2 3.8Å; A149-F160 HydrophobicContact CB-CZ 3.48Å; A149-F160 VanDerWaalsContact CB-CZ 3.48Å; Q150-F160 HydrophobicContact CB-CD1 4.05Å; Q150-F160 HydrophobicContact CB-CE1 4.02Å; A153-F160 HydrophobicContact CB-CB 3.42Å; A153-F160 VanDerWaalsContact CB-CB 3.42Å; A153-F160 HydrophobicContact CB-CG 4.04Å; F160-E162 HydrophobicContact CZ-CG 3.96Å
161M98.4Very high97.6Very high49 Ų4944 Ų4424%0.24125%0.248CC..EExtended strand (participates in β ladder)trans-147.9141.5170.1-66.2-175.8-169.900109.3L131 A132 G133 T163 N170 E173 I174 A177L131-M161 PolarHBondContact O-N 3.27Å; A132-M161 WeakPolarHBondContact CA-O 3.48Å; G133-M161 PolarHBondContact N-O 3.25Å; G133-M161 VanDerWaalsContact N-O 3.08Å; M161-T163 HydrophobicContact CB-CG2 4.39Å; M161-N170 HydrophobicContact CB-CB 4.38Å; M161-N170 HydrophobicContact SD-CB 4.34Å; M161-E173 HydrophobicContact CE-CB 4.28Å; M161-E173 HydrophobicContact SD-CB 3.8Å; M161-I174 HydrophobicContact SD-CB 3.88Å; M161-I174 HydrophobicContact SD-CG1 4.45Å; M161-I174 PolarHBondContact SD-N 3.13Å; M161-A177 HydrophobicContact CE-CB 3.72Å
162E98.4Very high97.6Very high15 Ų1545 Ų457%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-79.3138159.7-69-164.7156.200110G133 A136 R142 F146 F160 M169 N170G133-E162 CarbonylContact O-C 3.4Å; G133-E162 WeakPolarHBondContact O-CA 3.16Å; A136-E162 HydrophobicContact CB-CB 4.24Å; R142-E162 IonicContact CZ-OE1 3.86Å; R142-E162 VanDerWaalsContact CZ-OE1 3.28Å; R142-E162 IonicContact CZ-OE2 2.67Å; R142-E162 IonicContact NH1-OE1 3.04Å; R142-E162 PolarHBondContact NH1-OE1 3.33Å; R142-E162 IonicContact NH1-OE2 3.18Å; R142-E162 VanDerWaalsContact NH2-CD 3.27Å; R142-E162 IonicContact NH2-OE1 2.74Å; R142-E162 PolarHBondContact NH2-OE1 3.17Å; R142-E162 IonicContact NH2-OE2 2.64Å; R142-E162 PolarHBondContact NH2-OE2 3.14Å; F146-E162 HydrophobicContact CD2-CG 3.76Å; F146-E162 HydrophobicContact CE2-CG 3.98Å; F160-E162 HydrophobicContact CZ-CG 3.96Å; E162-M169 HydrophobicContact CB-CE 4.05Å; E162-M169 WeakPolarHBondContact O-CE 3.41Å; E162-N170 WeakPolarHBondContact O-CB 3.38Å; E162-N170 PolarHBondContact O-ND2 3.41Å
163T98.5Very high97.5Very high0 Ų048 Ų480%026%0.261CS..  trans-130.1157.8-173.9590000110.5L37 A132 G133 N134 K135 A136 M161 M169 N170 I174L37-T163 HydrophobicContact CD1-CG2 4.29Å; L37-T163 VanDerWaalsContact CD1-OG1 3.28Å; L37-T163 WeakPolarHBondContact CD1-OG1 3.15Å; A132-T163 HydrophobicContact CB-CG2 4.47Å; G133-T163 PolarHBondContact O-N 3.48Å; N134-T163 CarbonylContact C-O 3.54Å; N134-T163 VanDerWaalsContact CA-O 3.28Å; N134-T163 WeakPolarHBondContact CA-O 3.24Å; N134-T163 PolarHBondContact OD1-O 2.88Å; K135-T163 PolarHBondContact N-O 3.43Å; A136-T163 WeakPolarHBondContact CB-O 3.06Å; A136-T163 PolarHBondContact N-O 3.47Å; M161-T163 HydrophobicContact CB-CG2 4.39Å; T163-M169 VanDerWaalsContact CA-O 3.32Å; T163-M169 WeakPolarHBondContact CA-O 3.38Å; T163-N170 HydrophobicContact CG2-CB 4.04Å; T163-I174 HydrophobicContact CG2-CD1 4.46Å; T163-I174 HydrophobicContact CG2-CG2 4.34Å
164S98.4Very high97.5Very high0 Ų048 Ų480%026%0.262CS..  trans-138.3108.6167.3168.90000109.1D137 K166 T167 A168 M169D137-S164 WeakPolarHBondContact OD1-CB 3.3Å; D137-S164 PolarHBondContact OD1-OG 2.84Å; S164-K166 PolarHBondContact O-N 2.78Å; S164-K166 PolarHBondContact OG-N 2.96Å; S164-T167 WeakPolarHBondContact CB-OG1 2.82Å; S164-T167 PolarHBondContact O-N 3.39Å; S164-T167 PolarHBondContact OG-N 3.23Å; S164-T167 PolarHBondContact OG-OG1 3.18Å; S164-A168 CarbonylContact O-C 3.43Å; S164-A168 WeakPolarHBondContact O-CA 3.37Å; S164-A168 PolarHBondContact O-N 2.71Å; S164-M169 PolarHBondContact N-O 2.76Å; S164-M169 PolarHBondContact O-N 3.45Å
165A97.6Very high97.5Very high3 Ų343.5 Ų43.53%0.02524%0.237CC..THydrogen-bonded Turntrans-58.8-29.3170.800000112.2L37 R40 F46 N134L37-A165 HydrophobicContact CB-CB 4.44Å; R40-A165 PolarHBondContact NE-O 2.93Å; R40-A165 PolarHBondContact NH2-O 2.79Å; F46-A165 HydrophobicContact CD2-CB 4.05Å; F46-A165 HydrophobicContact CE2-CB 4.26Å; N134-A165 PolarHBondContact OD1-N 2.88Å
166K97.2Very high97.4Very high92 Ų9240.9 Ų40.940%0.422%0.222SC..THydrogen-bonded Turntrans-68.5-50.2179.7-172168.3-174.7162.30111.6R40 F46 E48 D137 S164R40-K166 PolarHBondContact NH2-O 2.79Å; F46-K166 HydrophobicContact CD1-CB 4.45Å; F46-K166 HydrophobicContact CD1-CG 4.2Å; F46-K166 HydrophobicContact CD2-CB 4.38Å; F46-K166 HydrophobicContact CE1-CB 4.11Å; F46-K166 HydrophobicContact CE1-CD 4.19Å; F46-K166 HydrophobicContact CE1-CG 3.81Å; F46-K166 HydrophobicContact CE2-CB 4.03Å; F46-K166 HydrophobicContact CZ-CB 3.89Å; F46-K166 HydrophobicContact CZ-CD 4.32Å; F46-K166 HydrophobicContact CZ-CG 4.05Å; E48-K166 IonicContact OE1-NZ 3.74Å; E48-K166 PolarHBondContact OE1-NZ 3.2Å; D137-K166 WeakPolarHBondContact OD2-CD 3.47Å; S164-K166 PolarHBondContact O-N 2.78Å; S164-K166 PolarHBondContact OG-N 2.96Å
167T97.2Very high97.4Very high85 Ų8540 Ų4052%0.52122%0.22SC..THydrogen-bonded Turntrans-95.1-5.9-176.262.70000114.2D137 S164 M169D137-T167 HydrophobicContact CB-CG2 3.88Å; S164-T167 WeakPolarHBondContact CB-OG1 2.82Å; S164-T167 PolarHBondContact O-N 3.39Å; S164-T167 PolarHBondContact OG-N 3.23Å; S164-T167 PolarHBondContact OG-OG1 3.18Å; T167-M169 PolarHBondContact O-N 3.2Å; T167-M169 WeakPolarHBondContact OG1-CB 3.33Å; T167-M169 PolarHBondContact OG1-N 3.37Å
168A97.4Very high97.5Very high36 Ų3635.2 Ų35.230%0.29819%0.187SC..  trans67.48.3-17100000115.4R40 S164 N170 V171R40-A168 HydrophobicContact CG-CB 4.12Å; S164-A168 CarbonylContact O-C 3.43Å; S164-A168 WeakPolarHBondContact O-CA 3.37Å; S164-A168 PolarHBondContact O-N 2.71Å; A168-N170 PolarHBondContact O-N 2.95Å; A168-V171 PolarHBondContact O-N 3.2Å
169M98.2Very high97.3Very high77 Ų7734.6 Ų34.638%0.37918%0.184SC..THydrogen-bonded Turntrans-56.7126.4175.9177.5-174.8136.800111.4A136 E162 T163 S164 T167 V171A136-M169 HydrophobicContact CB-CE 3.68Å; A136-M169 HydrophobicContact CB-SD 3.98Å; E162-M169 HydrophobicContact CB-CE 4.05Å; E162-M169 WeakPolarHBondContact O-CE 3.41Å; T163-M169 VanDerWaalsContact CA-O 3.32Å; T163-M169 WeakPolarHBondContact CA-O 3.38Å; S164-M169 PolarHBondContact N-O 2.76Å; S164-M169 PolarHBondContact O-N 3.45Å; T167-M169 PolarHBondContact O-N 3.2Å; T167-M169 WeakPolarHBondContact OG1-CB 3.33Å; T167-M169 PolarHBondContact OG1-N 3.37Å; M169-V171 PolarHBondContact O-N 2.91Å
170N97.9Very high97.2Very high52 Ų5239.7 Ų39.728%0.27820%0.204SC..THydrogen-bonded Turntrans55.912.5176.6-64.9-24.9000115.4M161 E162 T163 A168 E173 I174M161-N170 HydrophobicContact CB-CB 4.38Å; M161-N170 HydrophobicContact SD-CB 4.34Å; E162-N170 WeakPolarHBondContact O-CB 3.38Å; E162-N170 PolarHBondContact O-ND2 3.41Å; T163-N170 HydrophobicContact CG2-CB 4.04Å; A168-N170 PolarHBondContact O-N 2.95Å; N170-E173 WeakPolarHBondContact CA-OE2 3.38Å; N170-E173 HydrophobicContact CB-CB 4.46Å; N170-E173 PolarHBondContact N-OE2 3.32Å; N170-I174 PolarHBondContact O-N 3.39Å
171V97.7Very high96.9Very high0 Ų044.2 Ų44.20%022%0.224CC..Hα-helixtrans-70.4-48-178.8176.40000109.9R40 F41 A168 M169 E173 I174 F175R40-V171 HydrophobicContact CB-CG1 4.2Å; R40-V171 HydrophobicContact CG-CB 4.27Å; R40-V171 HydrophobicContact CG-CG1 3.94Å; R40-V171 HydrophobicContact CG-CG2 4.07Å; F41-V171 HydrophobicContact CB-CG1 3.87Å; A168-V171 PolarHBondContact O-N 3.2Å; M169-V171 PolarHBondContact O-N 2.91Å; V171-E173 VanDerWaalsContact C-N 3.33Å; V171-E173 PolarHBondContact N-OE2 2.97Å; V171-I174 WeakPolarHBondContact O-CG2 3.44Å; V171-F175 HydrophobicContact CG1-CE2 4.4Å; V171-F175 WeakPolarHBondContact O-CD2 3.47Å
172N96.4Very high96.6Very high68 Ų6842.1 Ų42.136%0.36421%0.214SC..Hα-helixtrans-72.1-35.8179.3-69.9-62000111.2I174 F175 M176N172-I174 PolarHBondContact O-N 3.2Å; N172-F175 PolarHBondContact O-N 3.01Å; N172-M176 HydrophobicContact CB-CE 4.47Å; N172-M176 WeakPolarHBondContact O-CB 3.43Å; N172-M176 VanDerWaalsContact O-CG 3.26Å; N172-M176 WeakPolarHBondContact O-CG 3.5Å; N172-M176 PolarHBondContact O-N 2.89Å
173E97.3Very high96.1Very high88 Ų8845.8 Ų45.841%0.41124%0.239SC..Hα-helixtrans-61.5-42.6-175.1-66.273.8-171.700111.2M161 N170 V171 M176 A177M161-E173 HydrophobicContact CE-CB 4.28Å; M161-E173 HydrophobicContact SD-CB 3.8Å; N170-E173 WeakPolarHBondContact CA-OE2 3.38Å; N170-E173 HydrophobicContact CB-CB 4.46Å; N170-E173 PolarHBondContact N-OE2 3.32Å; V171-E173 VanDerWaalsContact C-N 3.33Å; V171-E173 PolarHBondContact N-OE2 2.97Å; E173-M176 PolarHBondContact O-N 3.16Å; E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.34Å; E173-A177 PolarHBondContact O-N 3.13Å
174I97.9Very high95.3Very high1 Ų148.9 Ų48.91%0.00525%0.252CS..Hα-helixtrans-67.1-42.6178.4-163.9173.4000111.9I98 A130 A132 M161 T163 N170 V171 N172 A177 I178I98-I174 HydrophobicContact CG2-CD1 4.15Å; A130-I174 HydrophobicContact CB-CD1 4.11Å; A130-I174 HydrophobicContact CB-CG1 4.17Å; A132-I174 HydrophobicContact CB-CD1 3.66Å; M161-I174 HydrophobicContact SD-CB 3.88Å; M161-I174 HydrophobicContact SD-CG1 4.45Å; M161-I174 PolarHBondContact SD-N 3.13Å; T163-I174 HydrophobicContact CG2-CD1 4.46Å; T163-I174 HydrophobicContact CG2-CG2 4.34Å; N170-I174 PolarHBondContact O-N 3.39Å; V171-I174 WeakPolarHBondContact O-CG2 3.44Å; N172-I174 PolarHBondContact O-N 3.2Å; I174-A177 PolarHBondContact O-N 3.4Å; I174-I178 HydrophobicContact CG1-CD1 4.44Å; I174-I178 WeakPolarHBondContact O-CD1 3.33Å; I174-I178 VanDerWaalsContact O-CG1 3.29Å; I174-I178 WeakPolarHBondContact O-CG1 3.38Å; I174-I178 PolarHBondContact O-N 3.26Å; I174-I178 VanDerWaalsContact O-N 3.07Å
175F97.1Very high93.7Very high0 Ų056 Ų560%029%0.29CS..Hα-helixtrans-67.8-38.1176.1-70.7-80.2000111.8L24 L37 F41 F72 I74 I98 V171 N172 I178 A179L24-F175 HydrophobicContact CD1-CD1 3.95Å; L24-F175 HydrophobicContact CD1-CE1 4.07Å; L24-F175 HydrophobicContact CD2-CE1 4.1Å; L37-F175 HydrophobicContact CD2-CE2 3.6Å; L37-F175 HydrophobicContact CD2-CZ 3.71Å; F41-F175 HydrophobicContact CB-CD2 3.86Å; F41-F175 HydrophobicContact CB-CE2 3.52Å; F41-F175 HydrophobicContact CB-CZ 4.19Å; F41-F175 AromaticContact CD1-CD1 3.9Å; F41-F175 HydrophobicContact CD1-CD1 3.9Å; F41-F175 AromaticContact CD1-CD2 3.62Å; F41-F175 HydrophobicContact CD1-CD2 3.62Å; F41-F175 AromaticContact CD1-CE1 3.92Å; F41-F175 HydrophobicContact CD1-CE1 3.92Å; F41-F175 AromaticContact CD1-CE2 3.69Å; F41-F175 HydrophobicContact CD1-CE2 3.69Å; F41-F175 AromaticContact CD1-CG 3.78Å; F41-F175 HydrophobicContact CD1-CG 3.78Å; F41-F175 AromaticContact CD1-CZ 3.84Å; F41-F175 HydrophobicContact CD1-CZ 3.84Å; F41-F175 HydrophobicContact CD2-CB 4.18Å; F41-F175 AromaticContact CD2-CD2 3.43Å; F41-F175 HydrophobicContact CD2-CD2 3.43Å; F41-F175 VanDerWaalsContact CD2-CD2 3.43Å; F41-F175 HydrophobicContact CD2-CE2 4.03Å; F41-F175 AromaticContact CD2-CG 3.94Å; F41-F175 HydrophobicContact CD2-CG 3.94Å; F41-F175 HydrophobicContact CE1-CB 4.01Å; F41-F175 AromaticContact CE1-CD1 3.68Å; F41-F175 HydrophobicContact CE1-CD1 3.68Å; F41-F175 AromaticContact CE1-CD2 3.93Å; F41-F175 HydrophobicContact CE1-CD2 3.93Å; F41-F175 HydrophobicContact CE1-CE1 4.11Å; F41-F175 HydrophobicContact CE1-CE2 4.38Å; F41-F175 AromaticContact CE1-CG 3.61Å; F41-F175 HydrophobicContact CE1-CG 3.61Å; F41-F175 HydrophobicContact CE1-CZ 4.46Å; F41-F175 HydrophobicContact CE2-CB 3.61Å; F41-F175 AromaticContact CE2-CD2 3.79Å; F41-F175 HydrophobicContact CE2-CD2 3.79Å; F41-F175 AromaticContact CE2-CG 3.8Å; F41-F175 HydrophobicContact CE2-CG 3.8Å; F41-F175 HydrophobicContact CG-CD1 4.47Å; F41-F175 AromaticContact CG-CD2 3.34Å; F41-F175 HydrophobicContact CG-CD2 3.34Å; F41-F175 AromaticContact CG-CE2 3.47Å; F41-F175 HydrophobicContact CG-CE2 3.47Å; F41-F175 VanDerWaalsContact CG-CE2 3.47Å; F41-F175 AromaticContact CG-CG 3.92Å; F41-F175 HydrophobicContact CG-CG 3.92Å; F41-F175 HydrophobicContact CG-CZ 4.09Å; F41-F175 HydrophobicContact CZ-CB 3.51Å; F41-F175 HydrophobicContact CZ-CD1 4.11Å; F41-F175 HydrophobicContact CZ-CD2 4.01Å; F41-F175 AromaticContact CZ-CG 3.63Å; F41-F175 HydrophobicContact CZ-CG 3.63Å; F72-F175 HydrophobicContact CE2-CB 4.25Å; I74-F175 HydrophobicContact CD1-CE1 4.29Å; I98-F175 HydrophobicContact CD1-CD1 3.91Å; I98-F175 HydrophobicContact CD1-CE1 3.43Å; I98-F175 VanDerWaalsContact CD1-CE1 3.43Å; I98-F175 HydrophobicContact CD1-CE2 4.39Å; I98-F175 HydrophobicContact CD1-CZ 3.69Å; V171-F175 HydrophobicContact CG1-CE2 4.4Å; V171-F175 WeakPolarHBondContact O-CD2 3.47Å; N172-F175 PolarHBondContact O-N 3.01Å; F175-I178 PolarHBondContact O-N 3.35Å; F175-A179 WeakPolarHBondContact O-CB 3.3Å; F175-A179 PolarHBondContact O-N 3.5Å
176M95.6Very high91.6Very high80 Ų8063.6 Ų63.639%0.39433%0.325SS..Hα-helixtrans-65.4-41.1174.3-74.5-178.1179.800112.1V63 N172 E173 I178 A179 K180V63-M176 HydrophobicContact CG1-CE 4.41Å; V63-M176 HydrophobicContact CG1-CG 3.96Å; N172-M176 HydrophobicContact CB-CE 4.47Å; N172-M176 WeakPolarHBondContact O-CB 3.43Å; N172-M176 VanDerWaalsContact O-CG 3.26Å; N172-M176 WeakPolarHBondContact O-CG 3.5Å; N172-M176 PolarHBondContact O-N 2.89Å; E173-M176 PolarHBondContact O-N 3.16Å; M176-I178 VanDerWaalsContact C-N 3.33Å; M176-I178 PolarHBondContact O-N 3.33Å; M176-A179 PolarHBondContact O-N 3.16Å; M176-K180 WeakPolarHBondContact O-CG 3.43Å; M176-K180 PolarHBondContact O-N 3.17Å
177A96.2Very high89.1Confident22 Ų2264 Ų6418%0.18234%0.337CS..Hα-helixtrans-62.1-41.7176.800000111.4L159 M161 E173 I174 K180 K181L159-A177 HydrophobicContact CD1-CB 4.32Å; M161-A177 HydrophobicContact CE-CB 3.72Å; E173-A177 VanDerWaalsContact O-CB 3.27Å; E173-A177 WeakPolarHBondContact O-CB 3.34Å; E173-A177 PolarHBondContact O-N 3.13Å; I174-A177 PolarHBondContact O-N 3.4Å; A177-K180 PolarHBondContact O-N 3.1Å; A177-K181 PolarHBondContact O-N 3.12Å
178I96.3Very high86.9Confident0 Ų064.1 Ų64.10%035%0.347CS..Hα-helixtrans-62.5-48.9172.9-67.2163.8000110.5L24 F72 A96 I98 V128 A130 L159 I174 F175 M176 K180 K181 L182L24-I178 HydrophobicContact CD1-CD1 4.11Å; L24-I178 HydrophobicContact CD1-CG2 4.22Å; F72-I178 HydrophobicContact CE1-CG2 4.11Å; F72-I178 HydrophobicContact CZ-CB 4.49Å; F72-I178 HydrophobicContact CZ-CG2 4.14Å; A96-I178 HydrophobicContact CB-CG2 3.48Å; A96-I178 VanDerWaalsContact CB-CG2 3.48Å; I98-I178 HydrophobicContact CD1-CD1 3.68Å; I98-I178 HydrophobicContact CG1-CD1 3.5Å; I98-I178 VanDerWaalsContact CG1-CD1 3.5Å; V128-I178 HydrophobicContact CG1-CG2 4.44Å; A130-I178 HydrophobicContact CB-CD1 3.79Å; A130-I178 HydrophobicContact CB-CG1 4.04Å; L159-I178 HydrophobicContact CD1-CG1 3.88Å; I174-I178 HydrophobicContact CG1-CD1 4.44Å; I174-I178 WeakPolarHBondContact O-CD1 3.33Å; I174-I178 VanDerWaalsContact O-CG1 3.29Å; I174-I178 WeakPolarHBondContact O-CG1 3.38Å; I174-I178 PolarHBondContact O-N 3.26Å; I174-I178 VanDerWaalsContact O-N 3.07Å; F175-I178 PolarHBondContact O-N 3.35Å; M176-I178 VanDerWaalsContact C-N 3.33Å; M176-I178 PolarHBondContact O-N 3.33Å; I178-K180 PolarHBondContact O-N 2.93Å; I178-K181 PolarHBondContact O-N 3.44Å; I178-L182 HydrophobicContact CG2-CD1 3.88Å; I178-L182 HydrophobicContact CG2-CG 4.28Å; I178-L182 WeakPolarHBondContact O-CG 3.39Å; I178-L182 PolarHBondContact O-N 3.41Å; I178-L182 VanDerWaalsContact O-N 3.09Å
179A94.7Very high84.6Confident0 Ų066 Ų660%037%0.369CS..Hα-helixtrans-57.4-35.9179.800000112.7L65 V70 F72 F175 M176L65-A179 HydrophobicContact CD1-CB 4.09Å; L65-A179 HydrophobicContact CD2-CB 4.32Å; V70-A179 HydrophobicContact CB-CB 4.26Å; V70-A179 HydrophobicContact CG1-CB 4.17Å; V70-A179 HydrophobicContact CG2-CB 4.23Å; F72-A179 HydrophobicContact CE2-CB 4.05Å; F72-A179 HydrophobicContact CZ-CB 3.75Å; F175-A179 WeakPolarHBondContact O-CB 3.3Å; F175-A179 PolarHBondContact O-N 3.5Å; M176-A179 PolarHBondContact O-N 3.16Å
180K93.6Very high81.8Confident145 Ų14566.2 Ų66.263%0.6339%0.391SS*.Hα-helixtrans-70.2-32.8176.1-73.3174.6-178.9-178.90113.1L65 M176 A177 I178L65-K180 HydrophobicContact CD2-CG 4.24Å; M176-K180 WeakPolarHBondContact O-CG 3.43Å; M176-K180 PolarHBondContact O-N 3.17Å; A177-K180 PolarHBondContact O-N 3.1Å; I178-K180 PolarHBondContact O-N 2.93Å
181K93.1Very high79.2Confident116 Ų11669 Ų6950%0.50442%0.421SS..Hα-helixtrans-85.5-17.5-177-161.3161-179177.10113.3V128 L159 A177 I178V128-K181 HydrophobicContact CG1-CB 4.21Å; V128-K181 HydrophobicContact CG1-CD 4.11Å; V128-K181 HydrophobicContact CG1-CG 4.26Å; V128-K181 HydrophobicContact CG2-CB 4.35Å; V128-K181 HydrophobicContact CG2-CG 4.17Å; L159-K181 HydrophobicContact CD1-CD 4.09Å; L159-K181 HydrophobicContact CD2-CD 3.94Å; L159-K181 HydrophobicContact CG-CD 4.11Å; A177-K181 PolarHBondContact O-N 3.12Å; I178-K181 PolarHBondContact O-N 3.44Å
182L92.3Very high76.3Confident5 Ų572.7 Ų72.73%0.02646%0.46CS..SBendtrans-71.5141.7178.9-74.9166.8000112.5F22 F72 Q95 A96 V128 I178 K184F22-L182 HydrophobicContact CB-CD1 3.89Å; F22-L182 HydrophobicContact CD1-CD1 4.24Å; F22-L182 HydrophobicContact CD1-CD2 4.24Å; F22-L182 HydrophobicContact CD2-CB 4.26Å; F22-L182 HydrophobicContact CD2-CD1 3.67Å; F22-L182 HydrophobicContact CE1-CB 4.23Å; F22-L182 HydrophobicContact CE2-CB 3.96Å; F22-L182 HydrophobicContact CE2-CD1 4.22Å; F22-L182 HydrophobicContact CG-CD1 3.68Å; F22-L182 HydrophobicContact CG-CD2 4.48Å; F22-L182 HydrophobicContact CG-CG 4.46Å; F22-L182 HydrophobicContact CZ-CB 3.94Å; F72-L182 HydrophobicContact CE1-CD1 3.79Å; F72-L182 HydrophobicContact CZ-CD1 4.38Å; Q95-L182 HydrophobicContact CB-CD2 3.8Å; Q95-L182 WeakPolarHBondContact O-CD2 3.01Å; A96-L182 HydrophobicContact CB-CD1 4.45Å; A96-L182 HydrophobicContact CB-CD2 4.37Å; V128-L182 HydrophobicContact CB-CD2 4.43Å; V128-L182 HydrophobicContact CG2-CD2 3.94Å; V128-L182 HydrophobicContact CG2-CG 4.41Å; I178-L182 HydrophobicContact CG2-CD1 3.88Å; I178-L182 HydrophobicContact CG2-CG 4.28Å; I178-L182 WeakPolarHBondContact O-CG 3.39Å; I178-L182 PolarHBondContact O-N 3.41Å; I178-L182 VanDerWaalsContact O-N 3.09Å; L182-K184 PolarHBondContact O-N 2.92Å
183P86.9Confident73.5Confident91 Ų9173.2 Ų73.259%0.59148%0.481SS*.  trans-70.4113.3-178.528-33.5000110.8F22 N185F22-P183 WeakPolarHBondContact CZ-O 3.17Å; P183-N185 VanDerWaalsContact C-N 3.28Å; P183-N185 PolarHBondContact O-N 3.04Å
184K82.1Confident70.9Confident65 Ų6581.2 Ų81.228%0.28351%0.508SS..THydrogen-bonded Turntrans-85.22.7-178.3-55.6174.1-171.31750113.4K18 T68 L182K18-K184 WeakPolarHBondContact CE-O 3.33Å; K18-K184 PolarHBondContact NZ-O 3.02Å; T68-K184 HydrophobicContact CG2-CD 4.19Å; T68-K184 HydrophobicContact CG2-CG 4.41Å; L182-K184 PolarHBondContact O-N 2.92Å
185N64.4Low68Low149 Ų14986 Ų8680%0.79755%0.548SS*.THydrogen-bonded Turntrans-82.7-10.9-167-81.4-1.9000115.3K18 P183K18-N185 PolarHBondContact NZ-O 3.16Å; P183-N185 VanDerWaalsContact C-N 3.28Å; P183-N185 PolarHBondContact O-N 3.04Å
186E53.8Low65.1Low164 Ų16489.6 Ų89.677%0.76659%0.585SS**  trans-94.3124.3175.2-70.4-173146.800111.2
187P45.7Very low62.6Low99 Ų9989.9 Ų89.964%0.64361%0.608SS**  trans-61.6135.515527.6-28.4000107.5G189P187-G189 PolarHBondContact O-N 3.11Å
188A50Low60Low88 Ų88100.2 Ų100.273%0.72764%0.643SS**SBendtrans-56.8101.4171.900000109.4
189G49.2Very low57.6Low75 Ų75105.2 Ų105.277%0.77368%0.684SS**  trans-168.985.2179.100000110.1P187P187-G189 PolarHBondContact O-N 3.11Å
190G39.8Very low54.7Low82 Ų82108.9 Ų108.985%0.84572%0.721SS**  trans167.355.5175.600000118.4
191A43Very low52.6Low110 Ų110108.3 Ų108.391%0.90973%0.73SS**SBendtrans-148.5108.2153.100000108.4
192G36.5Very low50.1Low79 Ų79109.9 Ų109.981%0.81474%0.743SS**  cis-161147.92.900000111.8
193G37.4Very low48Very low78 Ų78117.4 Ų117.480%0.80478%0.783SS**  trans-90.7127165.700000110.7
194R43Very low46Very low256 Ų256121.2 Ų121.297%0.96679%0.793SS**  trans34.2109.1147.7-73177.5159.3172.5-5.8118.3
195A38.1Very low44Very low103 Ų103127.4 Ų127.485%0.85182%0.823SS**  trans-142.1121.3146.200000110.5
196G35.7Very low42.9Very low75 Ų75124.8 Ų124.877%0.77382%0.822SS**  trans56.1110.9140.900000119.2R198G196-R198 PolarHBondContact O-N 3.26Å
197G42.9Very low42.5Very low86 Ų86121.4 Ų121.489%0.88782%0.822SS**  trans-54126.616800000112.8
198R41.4Very low42.3Very low239 Ų239122.8 Ų122.890%0.90283%0.831SS**  trans-135.2123151.8-81.4-172.4156.5171.1-6.3107.1G196 G200G196-R198 PolarHBondContact O-N 3.26Å; R198-G200 PolarHBondContact O-N 3.11Å
199A45.4Very low41.8Very low105 Ų105127.7 Ų127.787%0.86884%0.839SS**PPolyproline II helixtrans-52.6117.5179.500000110.4
200G35.1Very low41.4Very low76 Ų76129.3 Ų129.378%0.78485%0.845SS**PPolyproline II helixtrans-76125162.900000108.3R198R198-G200 PolarHBondContact O-N 3.11Å
201V48.3Very low41.2Very low134 Ų134129.1 Ų129.181%0.81284%0.843SS**PPolyproline II helixtrans-77.5118.3165.8-74.90000107.8
202D41.6Very low40.8Very low148 Ų148127.5 Ų127.579%0.79184%0.837SS**  trans-82.7115.2177.1-144.3-52.3000108.4Q204D202-Q204 VanDerWaalsContact C-N 3.31Å; D202-Q204 PolarHBondContact O-N 2.94Å
203L46.8Very low41Very low164 Ų164129.5 Ų129.586%0.85984%0.839SS**  trans-96.652.9-179.1-81.3167.4000110.6
204Q46.3Very low41.2Very low170 Ų170135.4 Ų135.479%0.79484%0.842SS**  trans-140.865.1176.3-149.896.651.300110.8D202D202-Q204 VanDerWaalsContact C-N 3.31Å; D202-Q204 PolarHBondContact O-N 2.94Å
205E40Very low41Very low195 Ų195128.8 Ų128.891%0.91183%0.834SS**  trans-141.1127.3158-144.6160.2172.900112.2
206A41.4Very low41.3Very low95 Ų95130 Ų13079%0.78584%0.835SS**PPolyproline II helixtrans-67.4151.4-17400000111.8
207A45.9Very low41.6Very low92 Ų92130.5 Ų130.576%0.7684%0.839SS**PPolyproline II helixtrans-46.2136.8-179.500000114.3
208P39.9Very low41.6Very low129 Ų129130.2 Ų130.284%0.83884%0.837SS**PPolyproline II helixtrans-82127.7162.13.913.7000110
209Q39.7Very low41.6Very low190 Ų190130.6 Ų130.689%0.88886%0.857SS**PPolyproline II helixtrans-60.4144.1172.2-72.9170.2-600111.9
210A40.5Very low41.4Very low109 Ų109131.9 Ų131.990%0.90186%0.856SS**PPolyproline II helixtrans-62.3136.3165.900000111.2
211G35.7Very low41.8Very low78 Ų78134.8 Ų134.880%0.80486%0.86SS**  trans-175.478.7175.700000114.9
212G35.8Very low41.4Very low77 Ų77134.9 Ų134.979%0.79486%0.863SS**  trans68.5116.2131.800000122.5
213S39.8Very low41.4Very low120 Ų120134.1 Ų134.184%0.83987%0.867SS**  trans77.3118.9138.1-152.60000119.1
214K41.5Very low41.1Very low203 Ų203132.3 Ų132.388%0.88387%0.868SS**  172.5151.593.4-149164.7-179.1178.80112.2
215C39.7Very low40.7Very low116 Ų116129.7 Ų129.778%0.78487%0.872SS**  trans-64.8171.9-171.9-63.80000119.2
216C42.8Very low40.8Very low130 Ų130125.1 Ų125.188%0.87887%0.87SS**  trans119.2117.1148.7-62.70000111.2
217G42.2Very low40.7Very low84 Ų84127.4 Ų127.487%0.86688%0.876SS**  cis97.4109.92300000110
218G44Very low40.3Very low81 Ų81130.3 Ų130.384%0.83589%0.886SS**  trans152.995.4164.300000117
219N41.8Very low40.3Very low247 Ų247130.5 Ų130.5100%1.32189%0.89SS**  trans59.50153.4-115.840.2000120.9

Retrieved 219 of 219 residues in 621.8 ms (Link to these results)

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