A0A087YR22_POEFO Loading...

Purine-rich element-binding protein gamma

AlphaFold DB , UniProt , Accession A0A087YR22, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 295 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36Very low34.3Very low241 Ų241154.5 Ų154.5100%1.18787%0.865SS**  0131.70-75.1178.2167.500107.7
2A34.7Very low34.7Very low82 Ų82152.2 Ų152.268%0.67887%0.866SS**  trans57113154.100000118
3D31.7Very low34.9Very low168 Ų168159.2 Ų159.290%0.89887%0.87SS**  67.4131.471.2-63.1-45.3000112.7
4G32.3Very low34.7Very low77 Ų77152.7 Ų152.779%0.79486%0.858SS**  cis-143.1-141.4-9.300000108.2
5C34Very low34.7Very low118 Ų118156.8 Ų156.880%0.79786%0.863SS**  cis-168160.5-14.3-1730000105
6C34.3Very low34.8Very low115 Ų115156.9 Ų156.978%0.77786%0.86SS**  cis-147-149.911.6-54.30000111
7R36.8Very low34.7Very low257 Ų257157.8 Ų157.897%0.9786%0.857SS**  trans-97.3147.4178.5-67.9171.5170.4166.6-4.4113.5
8G32.3Very low34.6Very low74 Ų74155.3 Ų155.376%0.76385%0.853SS**  trans-149.7139.216300000110.4
9T37.2Very low34.3Very low138 Ų138154.3 Ų154.385%0.84785%0.846SS**PPolyproline II helixtrans-90.3120.7-166.452.20000114.3
10E30.6Very low34.2Very low199 Ų199152.3 Ų152.393%0.9384%0.844SS**PPolyproline II helixtrans-97116.1159.7-73.3-160.4128.200111.1
11R37Very low34.2Very low231 Ų231152.2 Ų152.287%0.87284%0.841SS**PPolyproline II helixtrans-86.4120.5170.9-78.9179.4168.9172.8-3.9109.3R13R11-R13 PolarHBondContact O-N 2.78Å
12S39.1Very low34Very low126 Ų126145.6 Ų145.688%0.88182%0.819SS**PPolyproline II helixtrans-50.8128.3163.8-81.30000111.1
13R37.3Very low33.9Very low244 Ų244153.2 Ų153.292%0.92183%0.83SS**  trans-132.8123.3158.9-96.3-175.8167.8170.1-4.1109.4R11R11-R13 PolarHBondContact O-N 2.78Å
14G32.6Very low33.9Very low68 Ų68153.1 Ų153.170%0.70182%0.824SS**  trans-61.1143.6-175.300000112.7I16G14-I16 VanDerWaalsContact C-N 3.33Å; G14-I16 PolarHBondContact O-N 3.44Å
15K34.5Very low33.9Very low214 Ų214153.9 Ų153.993%0.9382%0.822SS**  trans-74.683.2177.5-165.4176.2-173.1178.10109.3Q17K15-Q17 PolarHBondContact O-N 2.87Å
16I37Very low33.7Very low159 Ų159158.5 Ų158.582%0.81583%0.825SS**  trans-68.7120.2173.9-63.8179.7000108.3G14 S18G14-I16 VanDerWaalsContact C-N 3.33Å; G14-I16 PolarHBondContact O-N 3.44Å; I16-S18 PolarHBondContact O-N 3.09Å
17Q32.3Very low34Very low172 Ų172158.6 Ų158.680%0.80482%0.824SS**  trans-64.4110.2175.7-165.8166.816.200108.5K15 D19K15-Q17 PolarHBondContact O-N 2.87Å; Q17-D19 PolarHBondContact O-N 3.01Å
18S32.7Very low34.2Very low112 Ų112154.5 Ų154.578%0.78382%0.815SS**  trans-76.291.4176.659.10000109I16 S20I16-S18 PolarHBondContact O-N 3.09Å; S18-S20 PolarHBondContact O-N 2.87Å; S18-S20 VanDerWaalsContact O-N 3.15Å
19D29.2Very low35.2Very low136 Ų136156.8 Ų156.873%0.72781%0.806SS**  trans-51.4121.4169.1-94-29.7000109.4Q17 L21Q17-D19 PolarHBondContact O-N 3.01Å; D19-L21 PolarHBondContact O-N 2.94Å
20S31.9Very low36.4Very low115 Ų115157.6 Ų157.680%0.80480%0.795SS**  trans-7276.8173.843.90000109S18 S22S18-S20 PolarHBondContact O-N 2.87Å; S18-S20 VanDerWaalsContact O-N 3.15Å; S20-S22 PolarHBondContact O-N 3.45Å
21L33.8Very low38.9Very low151 Ų151151.7 Ų151.779%0.79177%0.769SS**  trans-46.9108.5175.2-77.7169.3000109.8D19 R23D19-L21 PolarHBondContact O-N 2.94Å; L21-R23 PolarHBondContact O-N 3.46Å
22S33.1Very low41.3Very low101 Ų101146.6 Ų146.671%0.70676%0.755SS**  trans-49.7114.3176.7-760000109.4S20 H24S20-S22 PolarHBondContact O-N 3.45Å; S22-H24 PolarHBondContact O-N 2.72Å; S22-H24 PolarHBondContact O-ND1 3.35Å
23R31.8Very low43.8Very low243 Ų243145.7 Ų145.792%0.91774%0.737SS**  trans-49.1116174.9-74.1-177.6-178.8177.41.4107.8L21 A25L21-R23 PolarHBondContact O-N 3.46Å; R23-A25 PolarHBondContact O-N 2.83Å
24H31.8Very low46.4Very low165 Ų165136 Ų13676%0.76470%0.703SS**  trans-63.8100.9-178.5-7016.6000108.3S22 Y26S22-H24 PolarHBondContact O-N 2.72Å; S22-H24 PolarHBondContact O-ND1 3.35Å; H24-Y26 PolarHBondContact O-N 3.13Å
25A32Very low49.4Very low93 Ų93133.6 Ų133.677%0.76968%0.677SS**  trans-66103.8172.100000107.3R23R23-A25 PolarHBondContact O-N 2.83Å
26Y30.6Very low52.3Low216 Ų216126 Ų12685%0.84765%0.651SS**  trans-47.1129.7169.1-65.6-87.7000108.6H24 Q28H24-Y26 PolarHBondContact O-N 3.13Å; Y26-Q28 PolarHBondContact O-N 3.26Å
27P40.8Very low55.1Low116 Ų116120.9 Ų120.975%0.75362%0.622SS**  trans-62.2112.1177.424.9-31.9000107.8Q29P27-Q29 PolarHBondContact O-N 3.08Å
28Q40.3Very low58.1Low171 Ų171120.1 Ų120.180%0.79961%0.612SS**  trans-50.7138.1165.9-76.4-175.4-12.600107.6Y26 Y30Y26-Q28 PolarHBondContact O-N 3.26Å; Q28-Y30 PolarHBondContact O-N 2.79Å
29Q53.2Low61.2Low123 Ų123115.5 Ų115.558%0.57558%0.579SS**  trans-55.6114.8171.1-68.1171.9-5.600106.7P27 I31P27-Q29 PolarHBondContact O-N 3.08Å; Q29-I31 VanDerWaalsContact C-N 3.29Å; Q29-I31 HydrophobicContact CB-CG1 4.49Å; Q29-I31 PolarHBondContact O-N 2.97Å
30Y63.3Low64.3Low154 Ų154112.3 Ų112.360%0.60456%0.562SS**  trans-63.793.9-179.2-88.4-101.1000108.1Q28 R241Q28-Y30 PolarHBondContact O-N 2.79Å; Y30-R241 PolarHBondContact OH-NH2 2.83Å; Y30-R241 VanDerWaalsContact OH-NH2 3.08Å
31I82.1Confident67.2Low76 Ų76107.2 Ų107.239%0.3953%0.526SS..  trans-108.7106.5173.2-65.8171.9000105.2Q29 K51 Q52 F58Q29-I31 VanDerWaalsContact C-N 3.29Å; Q29-I31 HydrophobicContact CB-CG1 4.49Å; Q29-I31 PolarHBondContact O-N 2.97Å; I31-K51 HydrophobicContact CG2-CB 3.85Å; I31-K51 HydrophobicContact CG2-CD 3.92Å; I31-K51 HydrophobicContact CG2-CG 4.28Å; I31-Q52 VanDerWaalsContact CA-O 3.32Å; I31-Q52 WeakPolarHBondContact CA-O 3.47Å; I31-F58 HydrophobicContact CG2-CE1 3.99Å; I31-F58 HydrophobicContact CG2-CZ 3.83Å
32Q87.9Confident69.9Low124 Ų124105.7 Ų105.758%0.57952%0.515SS*.EExtended strand (participates in β ladder)trans-79.1137.6176.4-173.1169-6.100109.2L34 K51 Q52Q32-L34 HydrophobicContact CG-CD2 4.17Å; Q32-K51 CarbonylContact O-C 3.54Å; Q32-K51 WeakPolarHBondContact O-CA 3.15Å; Q32-Q52 HydrophobicContact CB-CB 4.49Å; Q32-Q52 PolarHBondContact N-O 3.5Å; Q32-Q52 PolarHBondContact O-N 2.98Å
33E91.7Very high72.5Confident106 Ų106107.2 Ų107.250%0.49551%0.509SS..EExtended strand (participates in β ladder)trans-88.4124.3166.9-167166.4113.200108K51E33-K51 HydrophobicContact CG-CG 4.49Å; E33-K51 IonicContact OE2-NZ 3.68Å; E33-K51 PolarHBondContact OE2-NZ 3.11Å
34L91.7Very high75.4Confident41 Ų4196.7 Ų96.722%0.21547%0.469CS..EExtended strand (participates in β ladder)trans-95.5-40.2179.7-60.9-176.4000110.9Q32 V50 Q52 R57 Y198Q32-L34 HydrophobicContact CG-CD2 4.17Å; L34-V50 HydrophobicContact CB-CB 4.49Å; L34-V50 HydrophobicContact CB-CG1 4.2Å; L34-V50 HydrophobicContact CD1-CG1 4.2Å; L34-V50 PolarHBondContact N-O 3.08Å; L34-Q52 HydrophobicContact CD1-CB 4.06Å; L34-Q52 HydrophobicContact CD2-CB 4.34Å; L34-Q52 HydrophobicContact CG-CB 4.2Å; L34-R57 HydrophobicContact CD1-CG 4.17Å; L34-Y198 HydrophobicContact CB-CD1 4.04Å; L34-Y198 HydrophobicContact CB-CE1 3.88Å; L34-Y198 HydrophobicContact CD1-CD1 4.15Å; L34-Y198 PolarHBondContact O-OH 3.32Å
35A95.2Very high78.3Confident17 Ų1792.5 Ų92.514%0.1445%0.447CS..EExtended strand (participates in β ladder)trans-153.9157.9173.600000111.3D49 V50 L194 Y198A35-D49 CarbonylContact O-C 3.6Å; A35-D49 WeakPolarHBondContact O-CA 3.21Å; A35-V50 HydrophobicContact CB-CB 4.43Å; A35-V50 PolarHBondContact N-O 3.08Å; A35-V50 PolarHBondContact O-N 2.89Å; A35-L194 HydrophobicContact CB-CD2 3.93Å; A35-Y198 HydrophobicContact CB-CD2 4.19Å; A35-Y198 HydrophobicContact CB-CE2 3.37Å
36S95.5Very high81.4Confident56 Ų5688.1 Ų88.139%0.39241%0.41SS..EExtended strand (participates in β ladder)trans-136.4125.8163.2-173.30000109.3L48 D49S36-L48 WeakPolarHBondContact CA-O 3.43Å; S36-D49 PolarHBondContact OG-OD1 3.33Å
37K96.2Very high84.6Confident50 Ų5081.4 Ų81.422%0.21738%0.384CS..EExtended strand (participates in β ladder)trans-112.4141.7170.5-71-174.6-172.5169.20110L48 L194 D197K37-L48 PolarHBondContact N-O 3.37Å; K37-L48 PolarHBondContact O-N 2.7Å; K37-L194 HydrophobicContact CB-CD1 4.36Å; K37-L194 HydrophobicContact CD-CD1 4.45Å; K37-L194 HydrophobicContact CD-CD2 3.85Å; K37-L194 HydrophobicContact CD-CG 3.92Å; K37-L194 HydrophobicContact CG-CD2 4.03Å; K37-L194 HydrophobicContact CG-CG 4.38Å; K37-D197 IonicContact NZ-OD2 3.08Å; K37-D197 PolarHBondContact NZ-OD2 2.96Å
38R96.2Very high87.2Confident157 Ų15775.9 Ų75.959%0.59235%0.348SS*.EExtended strand (participates in β ladder)trans-112.1126.6179.5-170.7-171.877.1-151.7-4.4110.2D40 F46 Y47R38-D40 VanDerWaalsContact CD-OD1 3.25Å; R38-D40 WeakPolarHBondContact CD-OD1 3.5Å; R38-D40 WeakPolarHBondContact CG-OD1 3.31Å; R38-D40 IonicContact NE-OD1 3.95Å; R38-D40 PolarHBondContact NE-OD1 3.17Å; R38-D40 IonicContact NE-OD2 2.87Å; R38-F46 CarbonylContact C-O 3.57Å; R38-F46 WeakPolarHBondContact CA-O 3.49Å; R38-Y47 HydrophobicContact CB-CD1 4.36Å; R38-Y47 HydrophobicContact CB-CE1 4.41Å; R38-Y47 HydrophobicContact CG-CD1 4.12Å; R38-Y47 HydrophobicContact CG-CE1 3.86Å
39V96.4Very high89.9Confident14 Ų1468.2 Ų68.29%0.08531%0.313CS..EExtended strand (participates in β ladder)trans-117.4112.8173.5-1680000108.4I41 F46 L48 E186 A190V39-I41 HydrophobicContact CG1-CD1 3.95Å; V39-I41 HydrophobicContact CG1-CG1 3.8Å; V39-F46 HydrophobicContact CB-CB 4.45Å; V39-F46 PolarHBondContact N-O 3.17Å; V39-F46 PolarHBondContact O-N 3.12Å; V39-L48 HydrophobicContact CG2-CD1 4.11Å; V39-E186 HydrophobicContact CG1-CB 3.9Å; V39-A190 HydrophobicContact CG2-CB 3.63Å
40D94.7Very high91.9Very high70 Ų7062.4 Ų62.437%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-93116.3177.4-78.326.6000108.4R38 K44 R45R38-D40 VanDerWaalsContact CD-OD1 3.25Å; R38-D40 WeakPolarHBondContact CD-OD1 3.5Å; R38-D40 WeakPolarHBondContact CG-OD1 3.31Å; R38-D40 IonicContact NE-OD1 3.95Å; R38-D40 PolarHBondContact NE-OD1 3.17Å; R38-D40 IonicContact NE-OD2 2.87Å; D40-K44 CarbonylContact C-O 3.51Å; D40-R45 VanDerWaalsContact OD1-CG 3.31Å; D40-R45 WeakPolarHBondContact OD1-CG 3.44Å; D40-R45 IonicContact OD1-NE 3.73Å; D40-R45 PolarHBondContact OD1-NE 3.49Å; D40-R45 IonicContact OD2-CZ 3.8Å; D40-R45 IonicContact OD2-NE 2.8Å; D40-R45 PolarHBondContact OD2-NE 3.01Å; D40-R45 IonicContact OD2-NH2 3.46Å; D40-R45 PolarHBondContact OD2-NH2 3.28Å; D40-R45 VanDerWaalsContact OD2-NH2 3.08Å
41I93.8Very high93.4Very high8 Ų856.2 Ų56.24%0.04126%0.262CS..EExtended strand (participates in β ladder)trans-125.8113.4-176.7-51.6170.8000108.9V39 K43 K44 F46 P180 G183V39-I41 HydrophobicContact CG1-CD1 3.95Å; V39-I41 HydrophobicContact CG1-CG1 3.8Å; I41-K43 PolarHBondContact O-N 2.89Å; I41-K43 VanDerWaalsContact O-N 3.11Å; I41-K44 PolarHBondContact N-O 2.91Å; I41-K44 WeakPolarHBondContact O-CB 3.46Å; I41-K44 PolarHBondContact O-N 2.9Å; I41-F46 HydrophobicContact CB-CD2 4.45Å; I41-F46 HydrophobicContact CB-CE2 4.17Å; I41-F46 HydrophobicContact CD1-CD2 3.74Å; I41-F46 HydrophobicContact CD1-CE2 3.81Å; I41-F46 HydrophobicContact CG1-CD2 4.14Å; I41-F46 HydrophobicContact CG1-CE2 4.27Å; I41-P180 HydrophobicContact CG2-CB 3.85Å; I41-P180 HydrophobicContact CG2-CG 3.74Å; I41-G183 WeakPolarHBondContact CD1-O 3.29Å
42Q89.8Confident93.7Very high119 Ų11955.2 Ų55.256%0.55626%0.256SS*.THydrogen-bonded Turntrans52.1-112-175.2-58.2177.3-4.800112.3P180Q42-P180 HydrophobicContact CG-CB 4.33Å; Q42-P180 HydrophobicContact CG-CG 4.42Å
43K88.3Confident93.5Very high132 Ų13251.1 Ų51.157%0.57424%0.241SC*.THydrogen-bonded Turntrans-103.320179.1-63.7-179.2-179.9179.10112.3I41 W65 I66I41-K43 PolarHBondContact O-N 2.89Å; I41-K43 VanDerWaalsContact O-N 3.11Å; K43-W65 HydrophobicContact CB-CD2 4.37Å; K43-W65 HydrophobicContact CB-CE3 4.36Å; K43-W65 HydrophobicContact CB-CH2 3.57Å; K43-W65 HydrophobicContact CB-CZ2 3.61Å; K43-W65 HydrophobicContact CB-CZ3 3.97Å; K43-W65 HydrophobicContact CD-CH2 4.11Å; K43-W65 HydrophobicContact CD-CZ2 3.79Å; K43-W65 HydrophobicContact CG-CH2 4.39Å; K43-W65 HydrophobicContact CG-CZ2 4.32Å; K43-I66 PolarHBondContact O-N 2.83Å
44K91.4Very high92.9Very high22 Ų2248.6 Ų48.610%0.09623%0.232CC..EExtended strand (participates in β ladder)trans-124.7147.5-179.7-62.6-174.3-178.9-1610111.6D40 I41 F46 E63 V64 W65 V178 P180D40-K44 CarbonylContact C-O 3.51Å; I41-K44 PolarHBondContact N-O 2.91Å; I41-K44 WeakPolarHBondContact O-CB 3.46Å; I41-K44 PolarHBondContact O-N 2.9Å; K44-F46 HydrophobicContact CB-CD2 4.45Å; K44-F46 HydrophobicContact CB-CE2 3.71Å; K44-F46 HydrophobicContact CB-CZ 4.17Å; K44-F46 HydrophobicContact CD-CE2 4.14Å; K44-F46 HydrophobicContact CD-CZ 3.82Å; K44-E63 HydrophobicContact CD-CG 4.12Å; K44-E63 WeakPolarHBondContact CD-OE1 3.26Å; K44-E63 VanDerWaalsContact CE-OE1 3.25Å; K44-E63 WeakPolarHBondContact CE-OE1 3.38Å; K44-E63 IonicContact NZ-OE1 2.88Å; K44-E63 PolarHBondContact NZ-OE1 3.4Å; K44-E63 IonicContact NZ-OE2 3.65Å; K44-V64 CarbonylContact C-O 3.58Å; K44-V64 VanDerWaalsContact CA-O 3.29Å; K44-V64 WeakPolarHBondContact CA-O 3.03Å; K44-W65 HydrophobicContact CD-CE3 4.37Å; K44-W65 HydrophobicContact CD-CZ3 4.48Å; K44-W65 HydrophobicContact CG-CE3 3.62Å; K44-W65 HydrophobicContact CG-CZ3 3.89Å; K44-V178 PolarHBondContact NZ-O 3.34Å; K44-P180 HydrophobicContact CD-CG 4.43Å
45R94.3Very high92.2Very high78 Ų7854.5 Ų54.529%0.29425%0.252SS..EExtended strand (participates in β ladder)trans-111.6137.5162.8-54.8-168.5152.71268.8109.2D40 Y47 E63 V64 I66D40-R45 VanDerWaalsContact OD1-CG 3.31Å; D40-R45 WeakPolarHBondContact OD1-CG 3.44Å; D40-R45 IonicContact OD1-NE 3.73Å; D40-R45 PolarHBondContact OD1-NE 3.49Å; D40-R45 IonicContact OD2-CZ 3.8Å; D40-R45 IonicContact OD2-NE 2.8Å; D40-R45 PolarHBondContact OD2-NE 3.01Å; D40-R45 IonicContact OD2-NH2 3.46Å; D40-R45 PolarHBondContact OD2-NH2 3.28Å; D40-R45 VanDerWaalsContact OD2-NH2 3.08Å; R45-Y47 HydrophobicContact CB-CD2 4.39Å; R45-Y47 HydrophobicContact CB-CE2 3.72Å; R45-Y47 WeakPolarHBondContact CD-OH 3.27Å; R45-E63 WeakPolarHBondContact O-CA 3.46Å; R45-V64 PolarHBondContact N-O 3.07Å; R45-V64 PolarHBondContact O-N 2.81Å; R45-I66 HydrophobicContact CG-CD1 3.39Å; R45-I66 HydrophobicContact CG-CG1 3.71Å
46F96.1Very high91.7Very high0 Ų055.2 Ų55.20%026%0.261CS..EExtended strand (participates in β ladder)trans-112.2124.7168.8-63-90.3000108.2R38 V39 I41 K44 L48 A62 E63 L179 F187R38-F46 CarbonylContact C-O 3.57Å; R38-F46 WeakPolarHBondContact CA-O 3.49Å; V39-F46 HydrophobicContact CB-CB 4.45Å; V39-F46 PolarHBondContact N-O 3.17Å; V39-F46 PolarHBondContact O-N 3.12Å; I41-F46 HydrophobicContact CB-CD2 4.45Å; I41-F46 HydrophobicContact CB-CE2 4.17Å; I41-F46 HydrophobicContact CD1-CD2 3.74Å; I41-F46 HydrophobicContact CD1-CE2 3.81Å; I41-F46 HydrophobicContact CG1-CD2 4.14Å; I41-F46 HydrophobicContact CG1-CE2 4.27Å; K44-F46 HydrophobicContact CB-CD2 4.45Å; K44-F46 HydrophobicContact CB-CE2 3.71Å; K44-F46 HydrophobicContact CB-CZ 4.17Å; K44-F46 HydrophobicContact CD-CE2 4.14Å; K44-F46 HydrophobicContact CD-CZ 3.82Å; F46-L48 HydrophobicContact CB-CD1 4.01Å; F46-A62 CarbonylContact C-O 3.58Å; F46-A62 VanDerWaalsContact CA-O 3.31Å; F46-A62 WeakPolarHBondContact CA-O 3.46Å; F46-E63 HydrophobicContact CD1-CB 4.03Å; F46-E63 HydrophobicContact CD1-CG 4.33Å; F46-E63 HydrophobicContact CE1-CB 3.74Å; F46-E63 HydrophobicContact CE1-CG 3.67Å; F46-E63 HydrophobicContact CZ-CG 3.97Å; F46-L179 HydrophobicContact CE1-CD1 4.49Å; F46-L179 HydrophobicContact CE1-CG 4.06Å; F46-L179 HydrophobicContact CZ-CB 4.46Å; F46-L179 HydrophobicContact CZ-CG 4.16Å; F46-F187 HydrophobicContact CB-CD2 4.27Å; F46-F187 HydrophobicContact CB-CE2 3.95Å; F46-F187 HydrophobicContact CD1-CE2 4.06Å; F46-F187 HydrophobicContact CG-CD2 4.32Å; F46-F187 HydrophobicContact CG-CE2 4.04Å
47Y96.9Very high91.5Very high75 Ų7555 Ų5529%0.29425%0.252SS..EExtended strand (participates in β ladder)trans-104.5121.6171.6-60.3-93.8000107.8R38 R45 I61 A62 V64R38-Y47 HydrophobicContact CB-CD1 4.36Å; R38-Y47 HydrophobicContact CB-CE1 4.41Å; R38-Y47 HydrophobicContact CG-CD1 4.12Å; R38-Y47 HydrophobicContact CG-CE1 3.86Å; R45-Y47 HydrophobicContact CB-CD2 4.39Å; R45-Y47 HydrophobicContact CB-CE2 3.72Å; R45-Y47 WeakPolarHBondContact CD-OH 3.27Å; Y47-I61 CarbonylContact O-C 3.48Å; Y47-I61 VanDerWaalsContact O-CA 3.29Å; Y47-I61 WeakPolarHBondContact O-CA 3.38Å; Y47-A62 PolarHBondContact N-O 3.49Å; Y47-A62 PolarHBondContact O-N 2.78Å; Y47-V64 HydrophobicContact CD2-CG2 4.19Å; Y47-V64 HydrophobicContact CE2-CB 4.39Å; Y47-V64 HydrophobicContact CE2-CG2 3.93Å
48L97.4Very high91.3Very high0 Ų054.6 Ų54.60%025%0.25CC..EExtended strand (participates in β ladder)trans-107.892.6179.5-75.777.3000107.2S36 K37 V39 F46 L59 I61 F187 L191 L194S36-L48 WeakPolarHBondContact CA-O 3.43Å; K37-L48 PolarHBondContact N-O 3.37Å; K37-L48 PolarHBondContact O-N 2.7Å; V39-L48 HydrophobicContact CG2-CD1 4.11Å; F46-L48 HydrophobicContact CB-CD1 4.01Å; L48-L59 HydrophobicContact CB-CD1 4Å; L48-I61 HydrophobicContact CD1-CG2 4.43Å; L48-I61 HydrophobicContact CG-CG2 4.4Å; L48-F187 HydrophobicContact CD1-CD2 4.26Å; L48-F187 HydrophobicContact CD1-CE2 3.82Å; L48-F187 HydrophobicContact CD1-CZ 4.39Å; L48-F187 HydrophobicContact CD2-CE2 4.42Å; L48-F187 HydrophobicContact CD2-CZ 4.31Å; L48-F187 HydrophobicContact CG-CE2 4.42Å; L48-L191 HydrophobicContact CD2-CB 4.45Å; L48-L194 HydrophobicContact CB-CD1 3.69Å; L48-L194 HydrophobicContact CD2-CD1 4.14Å
49D96.4Very high91.3Very high11 Ų1147.1 Ų47.16%0.05922%0.221CC..EExtended strand (participates in β ladder)trans-94.5113.9-179-44.8-36000109.6A35 S36 K51 K60A35-D49 CarbonylContact O-C 3.6Å; A35-D49 WeakPolarHBondContact O-CA 3.21Å; S36-D49 PolarHBondContact OG-OD1 3.33Å; D49-K51 HydrophobicContact CB-CD 4.31Å; D49-K51 HydrophobicContact CB-CG 4.19Å; D49-K60 HydrophobicContact CB-CB 4.37Å; D49-K60 PolarHBondContact N-O 2.97Å; D49-K60 PolarHBondContact O-N 2.9Å; D49-K60 IonicContact OD2-NZ 2.83Å; D49-K60 PolarHBondContact OD2-NZ 3.5Å
50V95.7Very high91.3Very high0 Ų049.5 Ų49.50%023%0.231CC..EExtended strand (participates in β ladder)trans-82.1125.2166.3-1790000108.1L34 A35 L59 M83 L194 Y198L34-V50 HydrophobicContact CB-CB 4.49Å; L34-V50 HydrophobicContact CB-CG1 4.2Å; L34-V50 HydrophobicContact CD1-CG1 4.2Å; L34-V50 PolarHBondContact N-O 3.08Å; A35-V50 HydrophobicContact CB-CB 4.43Å; A35-V50 PolarHBondContact N-O 3.08Å; A35-V50 PolarHBondContact O-N 2.89Å; V50-L59 HydrophobicContact CG2-CD1 4.14Å; V50-M83 HydrophobicContact CG1-CG 4.36Å; V50-M83 HydrophobicContact CG1-SD 4.04Å; V50-M83 HydrophobicContact CG2-CE 4.46Å; V50-M83 HydrophobicContact CG2-SD 4.06Å; V50-L194 HydrophobicContact CG2-CB 4.06Å; V50-L194 HydrophobicContact CG2-CD1 4.09Å; V50-L194 HydrophobicContact CG2-CD2 3.83Å; V50-L194 HydrophobicContact CG2-CG 4.2Å; V50-Y198 HydrophobicContact CB-CD2 4.46Å; V50-Y198 HydrophobicContact CG1-CD2 4.4Å; V50-Y198 HydrophobicContact CG1-CG 4.08Å; V50-Y198 HydrophobicContact CG2-CD2 4.29Å
51K94Very high91.3Very high25 Ų2546.2 Ų46.211%0.10921%0.213CC..EExtended strand (participates in β ladder)trans-133.1142.8-174.5-66.6-179.5178-640110.8I31 Q32 E33 D49 R57 F58 K60I31-K51 HydrophobicContact CG2-CB 3.85Å; I31-K51 HydrophobicContact CG2-CD 3.92Å; I31-K51 HydrophobicContact CG2-CG 4.28Å; Q32-K51 CarbonylContact O-C 3.54Å; Q32-K51 WeakPolarHBondContact O-CA 3.15Å; E33-K51 HydrophobicContact CG-CG 4.49Å; E33-K51 IonicContact OE2-NZ 3.68Å; E33-K51 PolarHBondContact OE2-NZ 3.11Å; D49-K51 HydrophobicContact CB-CD 4.31Å; D49-K51 HydrophobicContact CB-CG 4.19Å; K51-R57 CarbonylContact O-C 3.59Å; K51-R57 WeakPolarHBondContact O-CA 3.34Å; K51-F58 HydrophobicContact CB-CD1 4.16Å; K51-F58 HydrophobicContact CB-CD2 4.39Å; K51-F58 HydrophobicContact CB-CE1 3.6Å; K51-F58 HydrophobicContact CB-CE2 3.9Å; K51-F58 HydrophobicContact CB-CZ 3.47Å; K51-F58 VanDerWaalsContact CB-CZ 3.47Å; K51-F58 HydrophobicContact CD-CE2 4.02Å; K51-F58 HydrophobicContact CD-CZ 3.87Å; K51-F58 HydrophobicContact CG-CE2 4.48Å; K51-F58 HydrophobicContact CG-CZ 4.29Å; K51-F58 PolarHBondContact N-O 3.4Å; K51-F58 VanDerWaalsContact O-CD1 3.28Å; K51-F58 WeakPolarHBondContact O-CD1 3.5Å; K51-F58 PolarHBondContact O-N 2.99Å; K51-K60 HydrophobicContact CD-CD 4.29Å
52Q88.6Confident91.3Very high55 Ų5546.7 Ų46.726%0.25722%0.218SC..EExtended strand (participates in β ladder)trans-102.1136.5173.6-155.3165.420.400110I31 Q32 L34 R57 E201I31-Q52 VanDerWaalsContact CA-O 3.32Å; I31-Q52 WeakPolarHBondContact CA-O 3.47Å; Q32-Q52 HydrophobicContact CB-CB 4.49Å; Q32-Q52 PolarHBondContact N-O 3.5Å; Q32-Q52 PolarHBondContact O-N 2.98Å; L34-Q52 HydrophobicContact CD1-CB 4.06Å; L34-Q52 HydrophobicContact CD2-CB 4.34Å; L34-Q52 HydrophobicContact CG-CB 4.2Å; Q52-R57 HydrophobicContact CG-CG 4.08Å; Q52-E201 PolarHBondContact NE2-OE1 2.85Å; Q52-E201 PolarHBondContact NE2-OE2 2.87Å; Q52-E201 VanDerWaalsContact NE2-OE2 3.16Å
53S83.8Confident91.5Very high38 Ų3841.9 Ų41.927%0.26620%0.196SC..EExtended strand (participates in β ladder)trans-127.4169.2172.5178.50000108.2R55 G56S53-R55 PolarHBondContact O-N 3Å; S53-G56 PolarHBondContact N-O 3.37Å; S53-G56 PolarHBondContact O-N 3.18Å
54V78.4Confident91.6Very high52 Ų5237.2 Ų37.232%0.31518%0.178SC..THydrogen-bonded Turntrans-60.5-9.7170.2-59.50000114F245V54-F245 HydrophobicContact CG1-CE1 4.41Å; V54-F245 HydrophobicContact CG1-CZ 3.96Å
55R76.8Confident91.3Very high166 Ų16639.9 Ų39.963%0.62619%0.188SC*.THydrogen-bonded Turntrans-100.821172.9-68.5-177.253.8148.91.9113.3S53 D236S53-R55 PolarHBondContact O-N 3Å; R55-D236 IonicContact NH1-OD1 3.55Å
56G84.4Confident90.7Very high32 Ų3239.4 Ų39.433%0.3319%0.19SC..EExtended strand (participates in β ladder)trans86.7-172-174.900000114.4S53S53-G56 PolarHBondContact N-O 3.37Å; S53-G56 PolarHBondContact O-N 3.18Å
57R91.6Very high89.5Confident52 Ų5240.5 Ų40.520%0.19620%0.202CC..EExtended strand (participates in β ladder)trans-81.7141-176.6-56.8177.3-174.4-178.1-1111.8L34 K51 Q52 M83 Y198 E201L34-R57 HydrophobicContact CD1-CG 4.17Å; K51-R57 CarbonylContact O-C 3.59Å; K51-R57 WeakPolarHBondContact O-CA 3.34Å; Q52-R57 HydrophobicContact CG-CG 4.08Å; R57-M83 HydrophobicContact CB-CB 4.03Å; R57-M83 HydrophobicContact CB-CG 3.58Å; R57-M83 PolarHBondContact O-N 3.36Å; R57-M83 VanDerWaalsContact O-N 3.14Å; R57-Y198 WeakPolarHBondContact CD-O 3.38Å; R57-Y198 VanDerWaalsContact NH1-C 3.35Å; R57-Y198 PolarHBondContact NH1-O 3.13Å; R57-E201 WeakPolarHBondContact CG-OE2 3.42Å; R57-E201 IonicContact CZ-OE1 2.67Å; R57-E201 IonicContact CZ-OE2 3.36Å; R57-E201 IonicContact NE-OE1 2.75Å; R57-E201 PolarHBondContact NE-OE1 2.82Å; R57-E201 IonicContact NE-OE2 2.77Å; R57-E201 PolarHBondContact NE-OE2 2.84Å; R57-E201 IonicContact NH2-OE1 2.66Å; R57-E201 PolarHBondContact NH2-OE1 2.91Å; R57-E201 IonicContact NH2-OE2 2.7Å
58F93.5Very high87.7Confident40 Ų4049.2 Ų49.218%0.17523%0.234CC..EExtended strand (participates in β ladder)trans-141.3148.8177.570.6-86.5000111.7I31 K51 K60 T80 L81I31-F58 HydrophobicContact CG2-CE1 3.99Å; I31-F58 HydrophobicContact CG2-CZ 3.83Å; K51-F58 HydrophobicContact CB-CD1 4.16Å; K51-F58 HydrophobicContact CB-CD2 4.39Å; K51-F58 HydrophobicContact CB-CE1 3.6Å; K51-F58 HydrophobicContact CB-CE2 3.9Å; K51-F58 HydrophobicContact CB-CZ 3.47Å; K51-F58 VanDerWaalsContact CB-CZ 3.47Å; K51-F58 HydrophobicContact CD-CE2 4.02Å; K51-F58 HydrophobicContact CD-CZ 3.87Å; K51-F58 HydrophobicContact CG-CE2 4.48Å; K51-F58 HydrophobicContact CG-CZ 4.29Å; K51-F58 PolarHBondContact N-O 3.4Å; K51-F58 VanDerWaalsContact O-CD1 3.28Å; K51-F58 WeakPolarHBondContact O-CD1 3.5Å; K51-F58 PolarHBondContact O-N 2.99Å; F58-K60 HydrophobicContact CD2-CB 4.46Å; F58-K60 HydrophobicContact CE2-CB 4.19Å; F58-T80 HydrophobicContact CD2-CG2 3.5Å; F58-T80 VanDerWaalsContact CD2-CG2 3.5Å; F58-T80 HydrophobicContact CE2-CG2 3.94Å; F58-T80 HydrophobicContact CG-CG2 4.44Å; F58-L81 WeakPolarHBondContact CA-O 3.49Å; F58-L81 WeakPolarHBondContact CB-O 3.48Å
59L95.4Very high85.7Confident0 Ų052.9 Ų52.90%027%0.272CS..EExtended strand (participates in β ladder)trans-98.6125.8174.3176.361.2000109.6L48 V50 I61 T80 L81 M83 L191 L194L48-L59 HydrophobicContact CB-CD1 4Å; V50-L59 HydrophobicContact CG2-CD1 4.14Å; L59-I61 HydrophobicContact CD2-CD1 4.09Å; L59-I61 HydrophobicContact CD2-CG1 4.23Å; L59-I61 HydrophobicContact CG-CD1 4.36Å; L59-I61 HydrophobicContact CG-CG1 3.95Å; L59-T80 WeakPolarHBondContact O-CA 3.47Å; L59-L81 HydrophobicContact CB-CD2 4.01Å; L59-L81 HydrophobicContact CB-CG 4.08Å; L59-L81 HydrophobicContact CD2-CD2 4.06Å; L59-L81 HydrophobicContact CG-CD2 4.02Å; L59-L81 PolarHBondContact N-O 2.92Å; L59-L81 PolarHBondContact O-N 2.97Å; L59-M83 HydrophobicContact CB-SD 3.86Å; L59-L191 HydrophobicContact CD2-CD1 3.32Å; L59-L194 HydrophobicContact CD1-CD1 4.31Å
60K95.4Very high83.6Confident65 Ų6560.7 Ų60.728%0.28330%0.3SS..EExtended strand (participates in β ladder)trans-109.4122174174.4-169.6156.9-121.60108.6D49 K51 F58D49-K60 HydrophobicContact CB-CB 4.37Å; D49-K60 PolarHBondContact N-O 2.97Å; D49-K60 PolarHBondContact O-N 2.9Å; D49-K60 IonicContact OD2-NZ 2.83Å; D49-K60 PolarHBondContact OD2-NZ 3.5Å; K51-K60 HydrophobicContact CD-CD 4.29Å; F58-K60 HydrophobicContact CD2-CB 4.46Å; F58-K60 HydrophobicContact CE2-CB 4.19Å
61I95.7Very high81.5Confident0 Ų068.8 Ų68.80%034%0.338CS..EExtended strand (participates in β ladder)trans-110.5121.5-179.4-44.4-173.1000108.6Y47 L48 L59 K78 L79 L81 L89 I177 F187Y47-I61 CarbonylContact O-C 3.48Å; Y47-I61 VanDerWaalsContact O-CA 3.29Å; Y47-I61 WeakPolarHBondContact O-CA 3.38Å; L48-I61 HydrophobicContact CD1-CG2 4.43Å; L48-I61 HydrophobicContact CG-CG2 4.4Å; L59-I61 HydrophobicContact CD2-CD1 4.09Å; L59-I61 HydrophobicContact CD2-CG1 4.23Å; L59-I61 HydrophobicContact CG-CD1 4.36Å; L59-I61 HydrophobicContact CG-CG1 3.95Å; I61-K78 CarbonylContact O-C 3.6Å; I61-K78 VanDerWaalsContact O-CA 3.27Å; I61-K78 WeakPolarHBondContact O-CA 3.49Å; I61-L79 HydrophobicContact CB-CB 4.32Å; I61-L79 PolarHBondContact N-O 3.18Å; I61-L79 PolarHBondContact O-N 2.8Å; I61-L81 HydrophobicContact CD1-CD2 3.8Å; I61-L81 HydrophobicContact CG1-CD2 4.05Å; I61-L89 HydrophobicContact CD1-CD2 4.41Å; I61-I177 HydrophobicContact CB-CD1 4.11Å; I61-I177 HydrophobicContact CD1-CD1 4.34Å; I61-I177 HydrophobicContact CG2-CD1 3.7Å; I61-F187 HydrophobicContact CD1-CE1 4.35Å; I61-F187 HydrophobicContact CD1-CZ 3.79Å; I61-F187 HydrophobicContact CG2-CE2 4.07Å; I61-F187 HydrophobicContact CG2-CZ 3.89Å
62A94.2Very high79.3Confident19 Ų1974.7 Ų74.716%0.15737%0.371CS..EExtended strand (participates in β ladder)trans-117125.4177.900000111.3F46 Y47 S77F46-A62 CarbonylContact C-O 3.58Å; F46-A62 VanDerWaalsContact CA-O 3.31Å; F46-A62 WeakPolarHBondContact CA-O 3.46Å; Y47-A62 PolarHBondContact N-O 3.49Å; Y47-A62 PolarHBondContact O-N 2.78Å; A62-S77 WeakPolarHBondContact CA-O 3.4Å
63E92.5Very high77.5Confident18 Ų1877.1 Ų77.18%0.08439%0.386CS..EExtended strand (participates in β ladder)trans-98.7128.8175.7176.7-169.8153.800110.3K44 R45 F46 K76 S77 I177 V178K44-E63 HydrophobicContact CD-CG 4.12Å; K44-E63 WeakPolarHBondContact CD-OE1 3.26Å; K44-E63 VanDerWaalsContact CE-OE1 3.25Å; K44-E63 WeakPolarHBondContact CE-OE1 3.38Å; K44-E63 IonicContact NZ-OE1 2.88Å; K44-E63 PolarHBondContact NZ-OE1 3.4Å; K44-E63 IonicContact NZ-OE2 3.65Å; R45-E63 WeakPolarHBondContact O-CA 3.46Å; F46-E63 HydrophobicContact CD1-CB 4.03Å; F46-E63 HydrophobicContact CD1-CG 4.33Å; F46-E63 HydrophobicContact CE1-CB 3.74Å; F46-E63 HydrophobicContact CE1-CG 3.67Å; F46-E63 HydrophobicContact CZ-CG 3.97Å; E63-K76 WeakPolarHBondContact O-CA 3.49Å; E63-S77 PolarHBondContact N-O 2.81Å; E63-S77 PolarHBondContact O-N 2.94Å; E63-S77 VanDerWaalsContact O-N 3.15Å; E63-I177 HydrophobicContact CB-CG2 4.07Å; E63-I177 WeakPolarHBondContact OE2-CA 3.33Å; E63-V178 PolarHBondContact OE2-N 3.01Å
64V90.6Very high76.1Confident33 Ų3379.1 Ų79.120%0.239%0.392CS..EExtended strand (participates in β ladder)trans-130.7128.9179.2-174.60000110.2K44 R45 Y47 I74K44-V64 CarbonylContact C-O 3.58Å; K44-V64 VanDerWaalsContact CA-O 3.29Å; K44-V64 WeakPolarHBondContact CA-O 3.03Å; R45-V64 PolarHBondContact N-O 3.07Å; R45-V64 PolarHBondContact O-N 2.81Å; Y47-V64 HydrophobicContact CD2-CG2 4.19Å; Y47-V64 HydrophobicContact CE2-CB 4.39Å; Y47-V64 HydrophobicContact CE2-CG2 3.93Å; V64-I74 HydrophobicContact CG1-CG2 4.2Å
65W86.3Confident75.2Confident78 Ų7886.2 Ų86.230%0.29541%0.414SS..EExtended strand (participates in β ladder)trans-84.9137.8174.5-173.2-93.2000111.4K43 K44 G67 R149K43-W65 HydrophobicContact CB-CD2 4.37Å; K43-W65 HydrophobicContact CB-CE3 4.36Å; K43-W65 HydrophobicContact CB-CH2 3.57Å; K43-W65 HydrophobicContact CB-CZ2 3.61Å; K43-W65 HydrophobicContact CB-CZ3 3.97Å; K43-W65 HydrophobicContact CD-CH2 4.11Å; K43-W65 HydrophobicContact CD-CZ2 3.79Å; K43-W65 HydrophobicContact CG-CH2 4.39Å; K43-W65 HydrophobicContact CG-CZ2 4.32Å; K44-W65 HydrophobicContact CD-CE3 4.37Å; K44-W65 HydrophobicContact CD-CZ3 4.48Å; K44-W65 HydrophobicContact CG-CE3 3.62Å; K44-W65 HydrophobicContact CG-CZ3 3.89Å; W65-G67 VanDerWaalsContact CD1-N 3.29Å; W65-R149 VanDerWaalsContact CH2-NH2 3.34Å
66I80.4Confident75Confident68 Ų6886 Ų8635%0.34942%0.417SS..  trans-110.9-5.3-172.7-26.5165000113.2K43 R45 R68K43-I66 PolarHBondContact O-N 2.83Å; R45-I66 HydrophobicContact CG-CD1 3.39Å; R45-I66 HydrophobicContact CG-CG1 3.71Å; I66-R68 PolarHBondContact O-N 3.13Å
67G71.4Confident75.1Confident24 Ų2486.2 Ų86.225%0.24741%0.413CS..  trans-67.1123.6-175.100000112.8W65 G69W65-G67 VanDerWaalsContact CD1-N 3.29Å; G67-G69 PolarHBondContact O-N 2.83Å
68R59.2Low75.1Confident258 Ų25889.4 Ų89.497%0.97443%0.429SS*.THydrogen-bonded Turntrans-55.6132.6167.4-62.1-171.4-175.1-156.73.5109.2I66I66-R68 PolarHBondContact O-N 3.13Å
69G56Low75Confident76 Ų7687.6 Ų87.678%0.78442%0.421SS*.THydrogen-bonded Turntrans121.7-1.7176.800000117.1G67G67-G69 PolarHBondContact O-N 2.83Å
70R52.1Low74.9Confident175 Ų17589.1 Ų89.166%0.6643%0.43SS*.  trans-133.285.6163.4-74.2-164.3-169.3-176.72.8110.7D72R70-D72 VanDerWaalsContact C-N 3.3Å
71H50.8Low74.7Confident171 Ų17186.1 Ų86.179%0.79242%0.417SS*.SBendtrans-71.5-28.3172-109.3-104.8000112.3
72D49Very low74.5Confident148 Ų14887.4 Ų87.479%0.79143%0.426SS*.SBendtrans-94.5-4.1-163.5-41.2-55.1000114.7R70R70-D72 VanDerWaalsContact C-N 3.3Å
73N50.4Low74.4Confident107 Ų10786.9 Ų86.957%0.57242%0.421SS*.  trans-155.654.4-176.3-104.1-61.4000113.2R75N73-R75 PolarHBondContact O-N 3.16Å
74I53.7Low74.3Confident80 Ų8087.2 Ų87.241%0.4143%0.425SS..  trans-68.987.2163.7-55.6177.2000107.9V64 K76V64-I74 HydrophobicContact CG1-CG2 4.2Å; I74-K76 VanDerWaalsContact C-N 3.3Å; I74-K76 HydrophobicContact CG2-CG 4.2Å; I74-K76 PolarHBondContact O-N 2.83Å
75R59.6Low74.3Confident201 Ų20186 Ų8676%0.75842%0.417SS*.  trans-64.190.3171.7-73.3-171.8176.9-172.6-0.8109.4N73 S77N73-R75 PolarHBondContact O-N 3.16Å; R75-S77 PolarHBondContact O-N 2.99Å; R75-S77 VanDerWaalsContact O-N 3.09Å
76K72.8Confident74.7Confident161 Ų16182.2 Ų82.270%0.740%0.403SS*.  trans-69.399.8170-67.8-178.8-178.5177.40108.2E63 I74E63-K76 WeakPolarHBondContact O-CA 3.49Å; I74-K76 VanDerWaalsContact C-N 3.3Å; I74-K76 HydrophobicContact CG2-CG 4.2Å; I74-K76 PolarHBondContact O-N 2.83Å
77S87Confident75.4Confident36 Ų3682.1 Ų82.125%0.25241%0.407SS..EExtended strand (participates in β ladder)trans-86.1147.8177.3-68.20000109.9A62 E63 R75 T176A62-S77 WeakPolarHBondContact CA-O 3.4Å; E63-S77 PolarHBondContact N-O 2.81Å; E63-S77 PolarHBondContact O-N 2.94Å; E63-S77 VanDerWaalsContact O-N 3.15Å; R75-S77 PolarHBondContact O-N 2.99Å; R75-S77 VanDerWaalsContact O-N 3.09Å; S77-T176 VanDerWaalsContact CB-O 3.28Å; S77-T176 WeakPolarHBondContact CB-O 3.46Å
78K90.9Very high76.6Confident120 Ų12083.1 Ų83.152%0.52241%0.412SS..EExtended strand (participates in β ladder)trans-143.5146.8-179.368.9-177.8-178.4-177.70112.2I61 Q175I61-K78 CarbonylContact O-C 3.6Å; I61-K78 VanDerWaalsContact O-CA 3.27Å; I61-K78 WeakPolarHBondContact O-CA 3.49Å; K78-Q175 WeakPolarHBondContact O-CA 3.49Å; K78-Q175 VanDerWaalsContact O-CB 3.29Å; K78-Q175 WeakPolarHBondContact O-CB 3.35Å
79L92.6Very high78.3Confident1 Ų171 Ų711%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-129.1146.7173.7-165.375000108.5I61 Y140 I155 Q157 Q175 I177I61-L79 HydrophobicContact CB-CB 4.32Å; I61-L79 PolarHBondContact N-O 3.18Å; I61-L79 PolarHBondContact O-N 2.8Å; L79-Y140 HydrophobicContact CD1-CD1 4.04Å; L79-Y140 HydrophobicContact CD1-CE1 4.11Å; L79-Y140 HydrophobicContact CD2-CD1 4.27Å; L79-Y140 HydrophobicContact CD2-CE1 4.49Å; L79-Y140 HydrophobicContact CG-CD1 4.32Å; L79-Y140 HydrophobicContact CG-CE1 4.18Å; L79-I155 HydrophobicContact CD1-CG2 4.49Å; L79-I155 HydrophobicContact CD2-CB 4.33Å; L79-I155 HydrophobicContact CD2-CG2 3.59Å; L79-Q157 HydrophobicContact CD1-CB 3.63Å; L79-Q175 HydrophobicContact CD1-CB 4.24Å; L79-Q175 WeakPolarHBondContact CD1-O 3.42Å; L79-I177 HydrophobicContact CB-CD1 4.16Å; L79-I177 HydrophobicContact CB-CG1 4.32Å; L79-I177 HydrophobicContact CB-CG2 4.18Å; L79-I177 HydrophobicContact CD2-CD1 3.93Å; L79-I177 HydrophobicContact CD2-CG1 4.18Å
80T91.7Very high80.3Confident33 Ų3372.6 Ų72.620%0.20235%0.349CS..EExtended strand (participates in β ladder)trans-134.9123.8174.2-44.40000109.7F58 L59 Y140 Q157 Q175F58-T80 HydrophobicContact CD2-CG2 3.5Å; F58-T80 VanDerWaalsContact CD2-CG2 3.5Å; F58-T80 HydrophobicContact CE2-CG2 3.94Å; F58-T80 HydrophobicContact CG-CG2 4.44Å; L59-T80 WeakPolarHBondContact O-CA 3.47Å; T80-Y140 PolarHBondContact O-OH 3.32Å; T80-Q157 PolarHBondContact O-OE1 3.04Å; T80-Q175 PolarHBondContact OG1-OE1 3.03Å
81L92.1Very high82.4Confident1 Ų172 Ų721%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-126155.5177.464.1151.6000111.1F58 L59 I61 M85 A86 L89 Y140F58-L81 WeakPolarHBondContact CA-O 3.49Å; F58-L81 WeakPolarHBondContact CB-O 3.48Å; L59-L81 HydrophobicContact CB-CD2 4.01Å; L59-L81 HydrophobicContact CB-CG 4.08Å; L59-L81 HydrophobicContact CD2-CD2 4.06Å; L59-L81 HydrophobicContact CG-CD2 4.02Å; L59-L81 PolarHBondContact N-O 2.92Å; L59-L81 PolarHBondContact O-N 2.97Å; I61-L81 HydrophobicContact CD1-CD2 3.8Å; I61-L81 HydrophobicContact CG1-CD2 4.05Å; L81-M85 HydrophobicContact CD1-CB 4.33Å; L81-A86 HydrophobicContact CD1-CB 4.24Å; L81-L89 HydrophobicContact CD1-CB 4.41Å; L81-L89 HydrophobicContact CD1-CD2 3.8Å; L81-L89 HydrophobicContact CD2-CD2 4.37Å; L81-Y140 WeakPolarHBondContact CA-OH 3.49Å; L81-Y140 HydrophobicContact CB-CE1 4.08Å
82S91.1Very high84.6Confident28 Ų2864.5 Ų64.520%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-63.8147168.6-173.20000109.7S84 M85 A86S82-S84 PolarHBondContact O-N 2.92Å; S82-S84 PolarHBondContact OG-N 3.46Å; S82-S84 PolarHBondContact OG-OG 3.46Å; S82-M85 PolarHBondContact O-N 3.19Å; S82-A86 PolarHBondContact O-N 2.8Å
83M92.8Very high86.9Confident7 Ų757.4 Ų57.43%0.03428%0.277CS..G310 helixtrans-59.2-33.5168.7-80.1-58.2-66.900110.9V50 R57 L59 M85 A86 P87 L194V50-M83 HydrophobicContact CG1-CG 4.36Å; V50-M83 HydrophobicContact CG1-SD 4.04Å; V50-M83 HydrophobicContact CG2-CE 4.46Å; V50-M83 HydrophobicContact CG2-SD 4.06Å; R57-M83 HydrophobicContact CB-CB 4.03Å; R57-M83 HydrophobicContact CB-CG 3.58Å; R57-M83 PolarHBondContact O-N 3.36Å; R57-M83 VanDerWaalsContact O-N 3.14Å; L59-M83 HydrophobicContact CB-SD 3.86Å; M83-M85 PolarHBondContact O-N 3.45Å; M83-M85 VanDerWaalsContact O-N 3.1Å; M83-A86 WeakPolarHBondContact O-CB 3.41Å; M83-A86 PolarHBondContact O-N 3.36Å; M83-P87 WeakPolarHBondContact O-CD 3.44Å; M83-L194 WeakPolarHBondContact CE-O 3.38Å
84S90Very high89.1Confident26 Ų2653.1 Ų53.118%0.18226%0.258CS..G310 helixtrans-70.5-2176.266.40000114.7S82 R135 E202S82-S84 PolarHBondContact O-N 2.92Å; S82-S84 PolarHBondContact OG-N 3.46Å; S82-S84 PolarHBondContact OG-OG 3.46Å; S84-R135 VanDerWaalsContact CB-NH1 3.31Å; S84-R135 PolarHBondContact O-NH1 3.02Å; S84-R135 VanDerWaalsContact OG-CZ 3.29Å; S84-R135 PolarHBondContact OG-NH2 3.46Å; S84-E202 VanDerWaalsContact CB-OE2 3.31Å; S84-E202 WeakPolarHBondContact CB-OE2 3.25Å; S84-E202 PolarHBondContact OG-OE1 3.21Å
85M91.4Very high91.2Very high6 Ų651.9 Ų51.93%0.0325%0.252CS..G310 helixtrans-104.2-10.5165.9-63.5-175.780.900113.5L81 S82 M83 A88 L89 I133 R135 Y140L81-M85 HydrophobicContact CD1-CB 4.33Å; S82-M85 PolarHBondContact O-N 3.19Å; M83-M85 PolarHBondContact O-N 3.45Å; M83-M85 VanDerWaalsContact O-N 3.1Å; M85-A88 PolarHBondContact O-N 3.22Å; M85-L89 PolarHBondContact O-N 3.28Å; M85-L89 VanDerWaalsContact O-N 3.16Å; M85-I133 HydrophobicContact CE-CB 4.43Å; M85-I133 HydrophobicContact CE-CD1 4.24Å; M85-I133 HydrophobicContact CE-CG1 4.09Å; M85-R135 HydrophobicContact CE-CB 3.75Å; M85-R135 HydrophobicContact CG-CB 3.78Å; M85-R135 HydrophobicContact CG-CG 4.43Å; M85-R135 HydrophobicContact SD-CB 3.76Å; M85-Y140 HydrophobicContact CE-CD2 3.57Å; M85-Y140 HydrophobicContact CE-CE2 3.56Å; M85-Y140 HydrophobicContact SD-CD2 4.22Å; M85-Y140 HydrophobicContact SD-CE2 3.59Å; M85-Y140 VanDerWaalsContact SD-CE2 3.59Å
86A94.8Very high93Very high0 Ų042.3 Ų42.30%022%0.216CC..Hα-helixtrans-63.3-38.4-176.400000113.3L81 S82 M83 A88 L89 R90 L191 I195L81-A86 HydrophobicContact CD1-CB 4.24Å; S82-A86 PolarHBondContact O-N 2.8Å; M83-A86 WeakPolarHBondContact O-CB 3.41Å; M83-A86 PolarHBondContact O-N 3.36Å; A86-A88 PolarHBondContact O-N 3.44Å; A86-L89 PolarHBondContact O-N 3.46Å; A86-R90 PolarHBondContact O-N 2.66Å; A86-L191 HydrophobicContact CB-CD1 4.18Å; A86-I195 VanDerWaalsContact C-CD1 3.49Å; A86-I195 HydrophobicContact CB-CD1 3.83Å; A86-I195 HydrophobicContact CB-CG1 3.7Å; A86-I195 WeakPolarHBondContact O-CD1 3.35Å
87P94.9Very high94.1Very high66 Ų6635.4 Ų35.443%0.42919%0.187SC..Hα-helixtrans-59.4-40.9173.7-26.335.7000113.7M83 R90 Y91 I195M83-P87 WeakPolarHBondContact O-CD 3.44Å; P87-R90 WeakPolarHBondContact O-CB 3.37Å; P87-R90 PolarHBondContact O-N 2.85Å; P87-Y91 PolarHBondContact O-N 2.92Å; P87-I195 HydrophobicContact CG-CG2 4.12Å
88A95Very high94.5Very high44 Ų4437.8 Ų37.836%0.36420%0.196SC..Hα-helixtrans-65.6-41.5176.700000111.5M85 A86 Y91 C92 I133M85-A88 PolarHBondContact O-N 3.22Å; A86-A88 PolarHBondContact O-N 3.44Å; A88-Y91 PolarHBondContact O-N 3.07Å; A88-C92 PolarHBondContact O-N 3.4Å; A88-C92 PolarHBondContact O-SG 3.05Å; A88-C92 VanDerWaalsContact O-SG 3.35Å; A88-I133 HydrophobicContact CB-CG2 4.04Å
89L96.3Very high94.7Very high3 Ų335.5 Ų35.52%0.01619%0.185CC..Hα-helixtrans-61.4-43.9173.2175.659.3000112I61 L81 M85 A86 Y91 C92 L93 I133 L142 I155 L191I61-L89 HydrophobicContact CD1-CD2 4.41Å; L81-L89 HydrophobicContact CD1-CB 4.41Å; L81-L89 HydrophobicContact CD1-CD2 3.8Å; L81-L89 HydrophobicContact CD2-CD2 4.37Å; M85-L89 PolarHBondContact O-N 3.28Å; M85-L89 VanDerWaalsContact O-N 3.16Å; A86-L89 PolarHBondContact O-N 3.46Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 3.43Å; L89-C92 PolarHBondContact O-N 3.48Å; L89-L93 HydrophobicContact CD1-CD1 4.28Å; L89-L93 HydrophobicContact CD1-CG 4.3Å; L89-L93 HydrophobicContact CG-CD1 4.18Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 2.94Å; L89-I133 HydrophobicContact CB-CD1 4.06Å; L89-L142 HydrophobicContact CD1-CD2 3.72Å; L89-I155 HydrophobicContact CD1-CD1 3.96Å; L89-L191 HydrophobicContact CB-CD2 4.21Å; L89-L191 HydrophobicContact CD2-CD2 3.91Å; L89-L191 HydrophobicContact CG-CD2 3.75Å
90R97.1Very high94.8Very high111 Ų11138.4 Ų38.442%0.41920%0.196SC..Hα-helixtrans-58.9-44.3175.3178.9-165.2-179.5-125.812111.6A86 P87 L93 G94 R188 L191 S192 I195 E196A86-R90 PolarHBondContact O-N 2.66Å; P87-R90 WeakPolarHBondContact O-CB 3.37Å; P87-R90 PolarHBondContact O-N 2.85Å; R90-L93 PolarHBondContact O-N 3.19Å; R90-G94 PolarHBondContact O-N 3.15Å; R90-R188 HydrophobicContact CG-CG 4.22Å; R90-L191 HydrophobicContact CB-CD2 4.02Å; R90-L191 HydrophobicContact CB-CG 4.43Å; R90-S192 WeakPolarHBondContact CD-OG 3.05Å; R90-S192 PolarHBondContact NE-OG 3.33Å; R90-I195 HydrophobicContact CB-CD1 3.88Å; R90-I195 HydrophobicContact CG-CD1 4.43Å; R90-E196 IonicContact NH2-OE1 3.93Å
91Y96.5Very high94.8Very high163 Ų16339.4 Ų39.464%0.63921%0.208SC*.Hα-helixtrans-61.4-53.8177.8-177.6-86.2000111.4P87 A88 L89 L93 G94 D95P87-Y91 PolarHBondContact O-N 2.92Å; A88-Y91 PolarHBondContact O-N 3.07Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 3.43Å; Y91-L93 VanDerWaalsContact C-N 3.26Å; Y91-L93 PolarHBondContact O-N 3.28Å; Y91-G94 WeakPolarHBondContact O-CA 3.31Å; Y91-G94 PolarHBondContact O-N 2.81Å; Y91-D95 WeakPolarHBondContact CE1-OD2 3.35Å; Y91-D95 PolarHBondContact O-N 3.22Å
92C97.1Very high94.8Very high12 Ų1247.1 Ų47.18%0.08124%0.237CC..Hα-helixtrans-58.5-36.5178.2-64.20000112.6A88 L89 G94 D95 F96 L142A88-C92 PolarHBondContact O-N 3.4Å; A88-C92 PolarHBondContact O-SG 3.05Å; A88-C92 VanDerWaalsContact O-SG 3.35Å; L89-C92 PolarHBondContact O-N 3.48Å; C92-G94 VanDerWaalsContact C-N 3.27Å; C92-G94 PolarHBondContact O-N 3.01Å; C92-D95 PolarHBondContact O-N 3.46Å; C92-F96 HydrophobicContact CB-CE2 4.38Å; C92-F96 WeakPolarHBondContact O-CD2 3.34Å; C92-F96 PolarHBondContact O-N 3.08Å; C92-L142 HydrophobicContact CB-CD2 4.13Å
93L97.3Very high94.6Very high0 Ų047.1 Ų47.10%024%0.235CC..Hα-helixtrans-60.4-36.9174.1-75.1166.9000112L89 R90 Y91 F96 I97 L153 L184 F187 R188 L191L89-L93 HydrophobicContact CD1-CD1 4.28Å; L89-L93 HydrophobicContact CD1-CG 4.3Å; L89-L93 HydrophobicContact CG-CD1 4.18Å; L89-L93 VanDerWaalsContact O-CG 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.45Å; L89-L93 PolarHBondContact O-N 2.94Å; R90-L93 PolarHBondContact O-N 3.19Å; Y91-L93 VanDerWaalsContact C-N 3.26Å; Y91-L93 PolarHBondContact O-N 3.28Å; L93-F96 PolarHBondContact O-N 2.96Å; L93-I97 VanDerWaalsContact O-CD1 3.28Å; L93-I97 WeakPolarHBondContact O-CD1 3.31Å; L93-I97 WeakPolarHBondContact O-CG1 3.47Å; L93-I97 PolarHBondContact O-N 2.84Å; L93-L153 HydrophobicContact CD2-CD2 3.56Å; L93-L184 HydrophobicContact CD2-CD2 3.88Å; L93-F187 HydrophobicContact CD1-CD1 3.84Å; L93-F187 HydrophobicContact CD1-CE1 4.22Å; L93-R188 HydrophobicContact CB-CB 4.14Å; L93-R188 HydrophobicContact CB-CG 4.2Å; L93-R188 HydrophobicContact CD1-CB 4.34Å; L93-L191 HydrophobicContact CD1-CD2 3.89Å
94G97.1Very high94.1Very high17 Ų1748.5 Ų48.518%0.17525%0.251CS..Hα-helixtrans-57-54.1170.600000112.3R90 Y91 C92 F96 I97 D98R90-G94 PolarHBondContact O-N 3.15Å; Y91-G94 WeakPolarHBondContact O-CA 3.31Å; Y91-G94 PolarHBondContact O-N 2.81Å; C92-G94 VanDerWaalsContact C-N 3.27Å; C92-G94 PolarHBondContact O-N 3.01Å; G94-F96 VanDerWaalsContact C-N 3.25Å; G94-F96 PolarHBondContact O-N 2.9Å; G94-I97 WeakPolarHBondContact O-CB 3.09Å; G94-I97 PolarHBondContact O-N 2.97Å; G94-D98 PolarHBondContact O-N 2.99Å
95D96.9Very high93.2Very high53 Ų5352.5 Ų52.528%0.28327%0.27SS..Hα-helixtrans-57.6-36.7178.1-66.8-28.9000112.9Y91 C92 Y99Y91-D95 WeakPolarHBondContact CE1-OD2 3.35Å; Y91-D95 PolarHBondContact O-N 3.22Å; C92-D95 PolarHBondContact O-N 3.46Å; D95-Y99 VanDerWaalsContact O-CB 3.26Å; D95-Y99 WeakPolarHBondContact O-CB 3.22Å; D95-Y99 PolarHBondContact O-N 3.01Å
96F97.3Very high92.2Very high0 Ų058.7 Ų58.70%030%0.296CS..Hα-helixtrans-70.8-36.5175.8-76.9-63.3000113C92 L93 G94 Y100 K129 E131 L142 L144 L153 L184C92-F96 HydrophobicContact CB-CE2 4.38Å; C92-F96 WeakPolarHBondContact O-CD2 3.34Å; C92-F96 PolarHBondContact O-N 3.08Å; L93-F96 PolarHBondContact O-N 2.96Å; G94-F96 VanDerWaalsContact C-N 3.25Å; G94-F96 PolarHBondContact O-N 2.9Å; F96-Y100 WeakPolarHBondContact O-CB 3.32Å; F96-Y100 PolarHBondContact O-N 3.37Å; F96-K129 HydrophobicContact CD1-CB 4.29Å; F96-K129 HydrophobicContact CD1-CD 3.85Å; F96-K129 HydrophobicContact CD1-CG 4.13Å; F96-K129 HydrophobicContact CE1-CB 3.84Å; F96-K129 HydrophobicContact CE1-CD 3.8Å; F96-K129 HydrophobicContact CE1-CG 3.59Å; F96-K129 HydrophobicContact CZ-CG 4.38Å; F96-E131 HydrophobicContact CE1-CG 4.46Å; F96-E131 HydrophobicContact CE2-CB 3.97Å; F96-E131 HydrophobicContact CE2-CG 3.93Å; F96-E131 HydrophobicContact CZ-CB 3.8Å; F96-E131 HydrophobicContact CZ-CG 3.64Å; F96-L142 HydrophobicContact CE2-CB 3.62Å; F96-L142 HydrophobicContact CE2-CD2 3.98Å; F96-L142 HydrophobicContact CE2-CG 4.45Å; F96-L142 HydrophobicContact CZ-CB 3.86Å; F96-L142 WeakPolarHBondContact CZ-O 3.26Å; F96-L144 HydrophobicContact CD1-CB 3.71Å; F96-L144 HydrophobicContact CD1-CD2 4.24Å; F96-L144 HydrophobicContact CE1-CB 3.76Å; F96-L153 HydrophobicContact CD1-CD1 4.02Å; F96-L153 HydrophobicContact CD2-CD1 3.83Å; F96-L153 HydrophobicContact CD2-CD2 4.21Å; F96-L153 HydrophobicContact CE1-CD1 3.95Å; F96-L153 HydrophobicContact CE2-CD1 3.81Å; F96-L153 HydrophobicContact CG-CD1 3.98Å; F96-L153 HydrophobicContact CZ-CD1 3.87Å; F96-L184 HydrophobicContact CB-CD1 4.42Å
97I96.6Very high90.8Very high17 Ų1760.2 Ų60.29%0.08731%0.309CS..Hα-helixtrans-65.1-49175.5-70.8157.2000110L93 G94 Y99 Y100 A101 L184 I185 R188L93-I97 VanDerWaalsContact O-CD1 3.28Å; L93-I97 WeakPolarHBondContact O-CD1 3.31Å; L93-I97 WeakPolarHBondContact O-CG1 3.47Å; L93-I97 PolarHBondContact O-N 2.84Å; G94-I97 WeakPolarHBondContact O-CB 3.09Å; G94-I97 PolarHBondContact O-N 2.97Å; I97-Y99 VanDerWaalsContact C-N 3.34Å; I97-Y99 PolarHBondContact O-N 2.9Å; I97-Y100 PolarHBondContact O-N 2.93Å; I97-A101 PolarHBondContact O-N 3.31Å; I97-L184 HydrophobicContact CD1-CB 4.2Å; I97-L184 HydrophobicContact CG1-CB 3.66Å; I97-I185 HydrophobicContact CD1-CG1 3.9Å; I97-I185 HydrophobicContact CG1-CG1 4.05Å; I97-I185 HydrophobicContact CG2-CD1 4.2Å; I97-I185 HydrophobicContact CG2-CG1 3.84Å; I97-R188 HydrophobicContact CD1-CB 4.08Å; I97-R188 HydrophobicContact CD1-CG 4.47Å
98D95.8Very high89.1Confident85 Ų8566.8 Ų66.846%0.45533%0.325SS..Hα-helixtrans-61.2-43.6178.8-8213000111.8G94 A101 R102G94-D98 PolarHBondContact O-N 2.99Å; D98-A101 PolarHBondContact O-N 2.94Å; D98-R102 VanDerWaalsContact O-CG 3.31Å; D98-R102 WeakPolarHBondContact O-CG 3.45Å; D98-R102 PolarHBondContact O-N 2.9Å
99Y94.7Very high87.4Confident72 Ų7270.8 Ų70.828%0.28234%0.336SS..Hα-helixtrans-63-45.7174.4-178.8-86.9000111.5D95 I97 A101 R102 I103 L128 K129 L144D95-Y99 VanDerWaalsContact O-CB 3.26Å; D95-Y99 WeakPolarHBondContact O-CB 3.22Å; D95-Y99 PolarHBondContact O-N 3.01Å; I97-Y99 VanDerWaalsContact C-N 3.34Å; I97-Y99 PolarHBondContact O-N 2.9Å; Y99-A101 VanDerWaalsContact C-N 3.33Å; Y99-A101 PolarHBondContact O-N 3.31Å; Y99-R102 PolarHBondContact O-N 2.86Å; Y99-I103 HydrophobicContact CD1-CD1 4.23Å; Y99-I103 HydrophobicContact CD1-CG2 4.3Å; Y99-I103 HydrophobicContact CE1-CD1 3.88Å; Y99-I103 HydrophobicContact CE1-CG1 4.44Å; Y99-I103 HydrophobicContact CE1-CG2 3.73Å; Y99-I103 HydrophobicContact CE2-CG2 4.43Å; Y99-I103 WeakPolarHBondContact O-CG1 3.19Å; Y99-I103 PolarHBondContact O-N 2.97Å; Y99-I103 VanDerWaalsContact O-N 3.11Å; Y99-L128 HydrophobicContact CE1-CB 3.94Å; Y99-L128 PolarHBondContact OH-O 2.79Å; Y99-L128 VanDerWaalsContact OH-O 3.1Å; Y99-K129 HydrophobicContact CD1-CB 4.28Å; Y99-K129 HydrophobicContact CD1-CD 4.43Å; Y99-K129 HydrophobicContact CD2-CD 4.11Å; Y99-K129 HydrophobicContact CE1-CB 4.23Å; Y99-K129 HydrophobicContact CG-CB 4.5Å; Y99-K129 HydrophobicContact CG-CD 3.93Å; Y99-L144 HydrophobicContact CD1-CD2 3.68Å; Y99-L144 HydrophobicContact CE1-CD2 4.05Å
100Y93.6Very high85.5Confident62 Ų6278 Ų7824%0.24337%0.37CS..Hα-helixtrans-59.9-39.6178.5176.7-106.1000112.4F96 I97 I103 G104 R151 A181F96-Y100 WeakPolarHBondContact O-CB 3.32Å; F96-Y100 PolarHBondContact O-N 3.37Å; I97-Y100 PolarHBondContact O-N 2.93Å; Y100-I103 HydrophobicContact CD2-CD1 4.4Å; Y100-I103 WeakPolarHBondContact O-CG1 3.24Å; Y100-G104 PolarHBondContact O-N 3.06Å; Y100-G104 VanDerWaalsContact O-N 3.08Å; Y100-R151 HydrophobicContact CD2-CB 4.43Å; Y100-R151 HydrophobicContact CE2-CB 4.02Å; Y100-R151 HydrophobicContact CE2-CG 4.43Å; Y100-A181 HydrophobicContact CD2-CB 3.71Å; Y100-A181 HydrophobicContact CE2-CB 3.46Å; Y100-A181 VanDerWaalsContact CE2-CB 3.46Å; Y100-A181 HydrophobicContact CG-CB 4.34Å
101A93.1Very high83.4Confident55 Ų5580.9 Ų80.946%0.45539%0.388SS..Hα-helixtrans-61.9-48.2174.100000111.9I97 D98 Y99 I103 G104 L105I97-A101 PolarHBondContact O-N 3.31Å; D98-A101 PolarHBondContact O-N 2.94Å; Y99-A101 VanDerWaalsContact C-N 3.33Å; Y99-A101 PolarHBondContact O-N 3.31Å; A101-I103 PolarHBondContact O-N 2.85Å; A101-G104 PolarHBondContact O-N 3.17Å; A101-G104 VanDerWaalsContact O-N 3.08Å; A101-L105 PolarHBondContact O-N 3.35Å
102R90.9Very high81.4Confident162 Ų16276.9 Ų76.961%0.61139%0.389SS*.Hα-helixtrans-60.3-41.8179.8-66.5171.1-154.7-175.88.1112.8D98 Y99 G104 L105 K106D98-R102 VanDerWaalsContact O-CG 3.31Å; D98-R102 WeakPolarHBondContact O-CG 3.45Å; D98-R102 PolarHBondContact O-N 2.9Å; Y99-R102 PolarHBondContact O-N 2.86Å; R102-G104 VanDerWaalsContact C-N 3.31Å; R102-L105 PolarHBondContact O-N 3.04Å; R102-K106 PolarHBondContact O-N 3Å
103I88.3Confident78.9Confident29 Ų2980 Ų8015%0.14941%0.411CS..Hα-helixtrans-75.8-18.3176.963.5169.4000113.3Y99 Y100 A101 L128 R151Y99-I103 HydrophobicContact CD1-CD1 4.23Å; Y99-I103 HydrophobicContact CD1-CG2 4.3Å; Y99-I103 HydrophobicContact CE1-CD1 3.88Å; Y99-I103 HydrophobicContact CE1-CG1 4.44Å; Y99-I103 HydrophobicContact CE1-CG2 3.73Å; Y99-I103 HydrophobicContact CE2-CG2 4.43Å; Y99-I103 WeakPolarHBondContact O-CG1 3.19Å; Y99-I103 PolarHBondContact O-N 2.97Å; Y99-I103 VanDerWaalsContact O-N 3.11Å; Y100-I103 HydrophobicContact CD2-CD1 4.4Å; Y100-I103 WeakPolarHBondContact O-CG1 3.24Å; A101-I103 PolarHBondContact O-N 2.85Å; I103-L128 HydrophobicContact CD1-CD1 3.72Å; I103-R151 PolarHBondContact O-NH1 3.23Å
104G80.7Confident76.5Confident36 Ų3686.4 Ų86.437%0.37145%0.452SS..Hα-helixtrans-69.6-41.4170.300000112.1Y100 A101 R102 R108Y100-G104 PolarHBondContact O-N 3.06Å; Y100-G104 VanDerWaalsContact O-N 3.08Å; A101-G104 PolarHBondContact O-N 3.17Å; A101-G104 VanDerWaalsContact O-N 3.08Å; R102-G104 VanDerWaalsContact C-N 3.31Å; G104-R108 PolarHBondContact O-N 2.79Å
105L72.7Confident73.9Confident110 Ų11091.3 Ų91.358%0.57648%0.479SS*.Hα-helixtrans-66.5-50.2178.2-64.6172.3000112A101 R102 A107 R108 E109A101-L105 PolarHBondContact O-N 3.35Å; R102-L105 PolarHBondContact O-N 3.04Å; L105-A107 VanDerWaalsContact C-N 3.3Å; L105-A107 PolarHBondContact O-N 2.82Å; L105-R108 WeakPolarHBondContact O-CA 3.4Å; L105-R108 WeakPolarHBondContact O-CB 3.28Å; L105-R108 PolarHBondContact O-N 2.8Å; L105-E109 PolarHBondContact O-N 2.94Å
106K70.6Confident71.8Confident135 Ų13593 Ų9359%0.58751%0.508SS*.Hα-helixtrans-59.4-35.5-178.6-69.7-171.3175.5-168.50114.2R102 R108 E109 Q110R102-K106 PolarHBondContact O-N 3Å; K106-R108 VanDerWaalsContact C-N 3.32Å; K106-E109 PolarHBondContact O-N 2.9Å; K106-Q110 WeakPolarHBondContact O-CG 3.44Å; K106-Q110 PolarHBondContact O-N 3.26Å; K106-Q110 VanDerWaalsContact O-N 3.14Å
107A63.9Low69Low32 Ų3298.4 Ų98.426%0.26455%0.546SS..Hα-helixtrans-65.3-37.9175.100000111.7L105 Q110 H111L105-A107 VanDerWaalsContact C-N 3.3Å; L105-A107 PolarHBondContact O-N 2.82Å; A107-Q110 PolarHBondContact O-N 3.01Å; A107-H111 PolarHBondContact O-CD2 3.27Å; A107-H111 PolarHBondContact O-N 3.01Å
108R59.7Low66.9Low204 Ų204105.1 Ų105.177%0.7759%0.588SS**Hα-helixtrans-70.6-34.2178.4-169.9173.5178.8168.8-1.6112.5G104 L105 K106G104-R108 PolarHBondContact O-N 2.79Å; L105-R108 WeakPolarHBondContact O-CA 3.4Å; L105-R108 WeakPolarHBondContact O-CB 3.28Å; L105-R108 PolarHBondContact O-N 2.8Å; K106-R108 VanDerWaalsContact C-N 3.32Å
109E59.7Low64.2Low129 Ų129103.8 Ų103.860%0.60360%0.595SS**Hα-helixtrans-66.7-41.1173.4-68.8165.9173.300111.9L105 K106 H111 A112L105-E109 PolarHBondContact O-N 2.94Å; K106-E109 PolarHBondContact O-N 2.9Å; E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 2.77Å; E109-A112 WeakPolarHBondContact O-CB 3.42Å; E109-A112 PolarHBondContact O-N 2.91Å; E109-A112 VanDerWaalsContact O-N 3.11Å
110Q56.1Low61.8Low153 Ų153104.8 Ų104.872%0.71561%0.612SS**Hα-helixtrans-65.9-32.3177.5-73.2176-11.600113.1K106 A107 A112K106-Q110 WeakPolarHBondContact O-CG 3.44Å; K106-Q110 PolarHBondContact O-N 3.26Å; K106-Q110 VanDerWaalsContact O-N 3.14Å; A107-Q110 PolarHBondContact O-N 3.01Å; Q110-A112 VanDerWaalsContact C-N 3.26Å; Q110-A112 PolarHBondContact O-N 3.1Å
111H52.9Low59.2Low172 Ų172110.4 Ų110.480%0.79665%0.646SS**THydrogen-bonded Turntrans-77-4.4173.8-73-60.8000114.5A107 E109A107-H111 PolarHBondContact O-CD2 3.27Å; A107-H111 PolarHBondContact O-N 3.01Å; E109-H111 VanDerWaalsContact C-N 3.32Å; E109-H111 PolarHBondContact O-N 2.77Å
112A53.8Low56.9Low80 Ų80113.8 Ų113.866%0.66166%0.656SS**THydrogen-bonded Turntrans-90.8-5.5177.100000113.9E109 Q110E109-A112 WeakPolarHBondContact O-CB 3.42Å; E109-A112 PolarHBondContact O-N 2.91Å; E109-A112 VanDerWaalsContact O-N 3.11Å; Q110-A112 VanDerWaalsContact C-N 3.26Å; Q110-A112 PolarHBondContact O-N 3.1Å
113S45Very low54.8Low78 Ų78112.8 Ų112.855%0.54566%0.658SS.*SBendtrans-114.2117.6-178.3-66.10000111.3T115S113-T115 VanDerWaalsContact C-N 3.33Å; S113-T115 PolarHBondContact O-N 3.27Å
114P47.2Very low52.9Low134 Ų134114.9 Ų114.987%0.8768%0.681SS**  trans-85.968.1-175.235.8-36.1000111.9
115T43.5Very low51.9Low119 Ų119119.3 Ų119.373%0.7369%0.691SS**  trans-132.2107.316946.20000110S113 S117S113-T115 VanDerWaalsContact C-N 3.33Å; S113-T115 PolarHBondContact O-N 3.27Å; T115-S117 PolarHBondContact O-N 3.32Å
116G51Low52.4Low88 Ų88122.6 Ų122.691%0.90770%0.696SS**  trans-66.1126.6-17800000112
117S39.8Very low53.4Low114 Ų114119.2 Ų119.280%0.79769%0.686SS**  trans-123.5114.1166.545.20000109.1T115 G119T115-S117 PolarHBondContact O-N 3.32Å; S117-G119 PolarHBondContact O-N 2.82Å
118V51.7Low54.8Low159 Ų159119.2 Ų119.296%0.96468%0.682SS**  trans-68.1114.5178.8-178.20000108.3
119G40Very low56.4Low57 Ų57111.8 Ų111.859%0.58866%0.655SS**  trans-128.773.7-163.200000115.1S117S117-G119 PolarHBondContact O-N 2.82Å
120S42.8Very low58.2Low93 Ų93108.6 Ų108.665%0.6565%0.647SS**  trans45.5119.6157.3-157.30000119.6D122 H123S120-D122 PolarHBondContact O-N 3.14Å; S120-H123 PolarHBondContact O-ND1 2.83Å
121D40.5Very low60.1Low179 Ų179104.4 Ų104.496%0.95763%0.627SS**SBendtrans-69.947.2171.4-86.7-43.1000114.2
122D44.8Very low62Low126 Ų126101.9 Ų101.967%0.67461%0.614SS**  trans-118.236.5177.1-156.820000112.7S120 A124S120-D122 PolarHBondContact O-N 3.14Å; D122-A124 PolarHBondContact O-N 2.96Å; D122-A124 VanDerWaalsContact O-N 3.11Å
123H46.2Very low63.9Low141 Ų14198.9 Ų98.965%0.65359%0.587SS**  trans-78.419176.6-7567.8000113.2S120 H125S120-H123 PolarHBondContact O-ND1 2.83Å; H123-H125 PolarHBondContact O-N 2.87Å; H123-H125 VanDerWaalsContact O-N 3.08Å
124A48.3Very low66Low74 Ų7499.4 Ų99.461%0.61258%0.581SS**SBendtrans-79.48618000000111.7D122D122-A124 PolarHBondContact O-N 2.96Å; D122-A124 VanDerWaalsContact O-N 3.11Å
125H59.5Low67.6Low128 Ų12897.4 Ų97.459%0.59356%0.556SS**  trans67.150.2168.6-55.5-64.3000116.8H123 V127H123-H125 PolarHBondContact O-N 2.87Å; H123-H125 VanDerWaalsContact O-N 3.08Å; H125-V127 PolarHBondContact O-N 3.41Å
126R83.8Confident68.9Low180 Ų18097.2 Ų97.268%0.67955%0.55SS**  trans-60.6128.6171.2-170.5174.8-177.3171.63.4111.8L128 K145 E146R126-L128 HydrophobicContact CG-CD2 4.24Å; R126-K145 WeakPolarHBondContact O-CA 3.5Å; R126-E146 PolarHBondContact O-N 3.31Å
127V90.9Very high70.1Confident64 Ų6498.7 Ų98.739%0.38854%0.537SS..EExtended strand (participates in β ladder)trans-84.7131.1166.1-171.40000108.4H125 S130 D143 K145H125-V127 PolarHBondContact O-N 3.41Å; V127-S130 WeakPolarHBondContact CG1-OG 3.31Å; V127-D143 HydrophobicContact CG1-CB 4.49Å; V127-K145 HydrophobicContact CG1-CG 4.45Å; V127-K145 HydrophobicContact CG2-CD 3.9Å; V127-K145 HydrophobicContact CG2-CG 4.19Å
128L93Very high72.2Confident32 Ų3297.1 Ų97.117%0.16851%0.514CS..EExtended strand (participates in β ladder)trans-100.6-43.4-176.1-59.6177.6000112.2Y99 I103 R126 L144 E146 R151Y99-L128 HydrophobicContact CE1-CB 3.94Å; Y99-L128 PolarHBondContact OH-O 2.79Å; Y99-L128 VanDerWaalsContact OH-O 3.1Å; I103-L128 HydrophobicContact CD1-CD1 3.72Å; R126-L128 HydrophobicContact CG-CD2 4.24Å; L128-L144 HydrophobicContact CB-CD2 4.43Å; L128-L144 HydrophobicContact CB-CG 4.4Å; L128-L144 HydrophobicContact CD1-CD2 4.46Å; L128-L144 HydrophobicContact CD1-CG 4.36Å; L128-L144 PolarHBondContact N-O 2.94Å; L128-E146 HydrophobicContact CD1-CB 4.06Å; L128-E146 HydrophobicContact CD2-CB 4.48Å; L128-E146 HydrophobicContact CG-CB 4.31Å; L128-R151 HydrophobicContact CD1-CG 4.15Å
129K94.3Very high74Confident47 Ų4792.4 Ų92.420%0.20448%0.481CS..EExtended strand (participates in β ladder)trans-150.9141.1175.2178.3177.3161.869.70108.3F96 Y99 E131 L144F96-K129 HydrophobicContact CD1-CB 4.29Å; F96-K129 HydrophobicContact CD1-CD 3.85Å; F96-K129 HydrophobicContact CD1-CG 4.13Å; F96-K129 HydrophobicContact CE1-CB 3.84Å; F96-K129 HydrophobicContact CE1-CD 3.8Å; F96-K129 HydrophobicContact CE1-CG 3.59Å; F96-K129 HydrophobicContact CZ-CG 4.38Å; Y99-K129 HydrophobicContact CD1-CB 4.28Å; Y99-K129 HydrophobicContact CD1-CD 4.43Å; Y99-K129 HydrophobicContact CD2-CD 4.11Å; Y99-K129 HydrophobicContact CE1-CB 4.23Å; Y99-K129 HydrophobicContact CG-CB 4.5Å; Y99-K129 HydrophobicContact CG-CD 3.93Å; K129-E131 IonicContact NZ-OE1 3.23Å; K129-E131 PolarHBondContact NZ-OE1 2.92Å; K129-L144 HydrophobicContact CB-CB 4.47Å; K129-L144 PolarHBondContact N-O 2.73Å; K129-L144 PolarHBondContact O-N 3.18Å
130S96.1Very high76.6Confident62 Ų6289.8 Ų89.843%0.43445%0.453SS..EExtended strand (participates in β ladder)trans-127.1142.3172.4-72.90000109.7V127 L142 D143V127-S130 WeakPolarHBondContact CG1-OG 3.31Å; S130-L142 CarbonylContact C-O 3.54Å; S130-L142 VanDerWaalsContact CA-O 3.29Å; S130-L142 WeakPolarHBondContact CA-O 3.24Å; S130-D143 WeakPolarHBondContact CB-OD1 3.46Å; S130-D143 PolarHBondContact OG-OD1 3.39Å
131E96.2Very high79.1Confident65 Ų6588.3 Ų88.330%0.30444%0.435SS..EExtended strand (participates in β ladder)trans-136.3165.2172.8-67.6-59.2160.100109.3F96 K129 L142F96-E131 HydrophobicContact CE1-CG 4.46Å; F96-E131 HydrophobicContact CE2-CB 3.97Å; F96-E131 HydrophobicContact CE2-CG 3.93Å; F96-E131 HydrophobicContact CZ-CB 3.8Å; F96-E131 HydrophobicContact CZ-CG 3.64Å; K129-E131 IonicContact NZ-OE1 3.23Å; K129-E131 PolarHBondContact NZ-OE1 2.92Å; E131-L142 HydrophobicContact CB-CB 4.41Å; E131-L142 PolarHBondContact N-O 3.42Å; E131-L142 PolarHBondContact O-N 3.22Å
132F93.4Very high81.8Confident120 Ų12079.8 Ų79.853%0.52639%0.389SS..EExtended strand (participates in β ladder)trans-141.9151.416974.7-82.2000111.9E134 Y140 F141F132-E134 HydrophobicContact CD2-CB 4.47Å; F132-E134 HydrophobicContact CE2-CB 4.47Å; F132-Y140 CarbonylContact C-O 3.57Å; F132-Y140 WeakPolarHBondContact CA-O 3.21Å; F132-Y140 WeakPolarHBondContact CB-O 3.37Å; F132-F141 HydrophobicContact CB-CD1 4.06Å; F132-F141 HydrophobicContact CB-CE1 4.34Å
133I93.4Very high84.3Confident16 Ų1675 Ų758%0.08236%0.364CS..EExtended strand (participates in β ladder)trans-123136.7170.159.7176.2000109.2M85 A88 L89 K139 Y140 L142M85-I133 HydrophobicContact CE-CB 4.43Å; M85-I133 HydrophobicContact CE-CD1 4.24Å; M85-I133 HydrophobicContact CE-CG1 4.09Å; A88-I133 HydrophobicContact CB-CG2 4.04Å; L89-I133 HydrophobicContact CB-CD1 4.06Å; I133-K139 WeakPolarHBondContact O-CA 3.4Å; I133-Y140 HydrophobicContact CD1-CD2 4.49Å; I133-Y140 HydrophobicContact CG1-CD2 4.14Å; I133-Y140 HydrophobicContact CG1-CG 4.24Å; I133-Y140 PolarHBondContact N-O 3.05Å; I133-Y140 PolarHBondContact O-N 3.33Å; I133-L142 HydrophobicContact CG1-CD1 4.2Å
134E88.8Confident86.7Confident89 Ų8968.2 Ų68.242%0.41633%0.333SS..EExtended strand (participates in β ladder)trans-131.2133.1-179.1178.5162.6-151.400111.1F132 R138 K139F132-E134 HydrophobicContact CD2-CB 4.47Å; F132-E134 HydrophobicContact CE2-CB 4.47Å; E134-R138 WeakPolarHBondContact CA-O 3.35Å; E134-K139 HydrophobicContact CB-CG 4.19Å; E134-K139 HydrophobicContact CG-CG 3.94Å; E134-K139 WeakPolarHBondContact OE1-CE 3.4Å; E134-K139 WeakPolarHBondContact OE1-CG 3.48Å; E134-K139 IonicContact OE1-NZ 3.02Å; E134-K139 PolarHBondContact OE1-NZ 3.18Å; E134-K139 WeakPolarHBondContact OE2-CE 3.2Å; E134-K139 IonicContact OE2-NZ 2.79Å; E134-K139 PolarHBondContact OE2-NZ 3.46Å
135R80.6Confident88.9Confident92 Ų9266.6 Ų66.635%0.34731%0.311SS..EExtended strand (participates in β ladder)trans-155.9144.8168-161171.2165.6161.2-6.1108.1S84 M85 N137 R138 E202S84-R135 VanDerWaalsContact CB-NH1 3.31Å; S84-R135 PolarHBondContact O-NH1 3.02Å; S84-R135 VanDerWaalsContact OG-CZ 3.29Å; S84-R135 PolarHBondContact OG-NH2 3.46Å; M85-R135 HydrophobicContact CE-CB 3.75Å; M85-R135 HydrophobicContact CG-CB 3.78Å; M85-R135 HydrophobicContact CG-CG 4.43Å; M85-R135 HydrophobicContact SD-CB 3.76Å; R135-N137 PolarHBondContact O-N 3.11Å; R135-R138 PolarHBondContact N-O 2.78Å; R135-R138 VanDerWaalsContact N-O 3.15Å; R135-R138 WeakPolarHBondContact O-CB 3.41Å; R135-R138 PolarHBondContact O-N 3.31Å; R135-E202 IonicContact CZ-OE2 3.95Å; R135-E202 IonicContact NH1-OE2 3.01Å; R135-E202 IonicContact NH2-OE1 2.59Å; R135-E202 PolarHBondContact NH2-OE1 3.25Å; R135-E202 IonicContact NH2-OE2 3.32Å; R135-E202 PolarHBondContact NH2-OE2 2.86Å
136D71.8Confident90.5Very high115 Ų11563.3 Ų63.362%0.61530%0.297SS*.THydrogen-bonded Turntrans48.547.4172.1-44.1-32.8000115.4R138D136-R138 PolarHBondContact O-N 3.26Å
137N76.6Confident90.7Very high119 Ų11957 Ų5764%0.63628%0.276SS*.THydrogen-bonded Turntrans60.918.1-176.4-65.3-75.7000115.6R135 S160R135-N137 PolarHBondContact O-N 3.11Å; N137-S160 PolarHBondContact O-N 3.31Å
138R83.3Confident90.6Very high81 Ų8163.2 Ų63.231%0.30630%0.301SS..EExtended strand (participates in β ladder)trans-110.5122.3171.4-58.5-177-179.1-175.65.9109.6E134 R135 D136 Y140 V159E134-R138 WeakPolarHBondContact CA-O 3.35Å; R135-R138 PolarHBondContact N-O 2.78Å; R135-R138 VanDerWaalsContact N-O 3.15Å; R135-R138 WeakPolarHBondContact O-CB 3.41Å; R135-R138 PolarHBondContact O-N 3.31Å; D136-R138 PolarHBondContact O-N 3.26Å; R138-Y140 HydrophobicContact CB-CE2 3.68Å; R138-V159 HydrophobicContact CG-CG1 4.47Å
139K90.3Very high90.2Very high60 Ų6070.6 Ų70.626%0.26133%0.327SS..EExtended strand (participates in β ladder)trans-108.6127.2174.2-61.2-178.6-168.6-101.40108.6I133 E134 F141 T158 S160I133-K139 WeakPolarHBondContact O-CA 3.4Å; E134-K139 HydrophobicContact CB-CG 4.19Å; E134-K139 HydrophobicContact CG-CG 3.94Å; E134-K139 WeakPolarHBondContact OE1-CE 3.4Å; E134-K139 WeakPolarHBondContact OE1-CG 3.48Å; E134-K139 IonicContact OE1-NZ 3.02Å; E134-K139 PolarHBondContact OE1-NZ 3.18Å; E134-K139 WeakPolarHBondContact OE2-CE 3.2Å; E134-K139 IonicContact OE2-NZ 2.79Å; E134-K139 PolarHBondContact OE2-NZ 3.46Å; K139-F141 HydrophobicContact CB-CE2 4.05Å; K139-F141 HydrophobicContact CB-CZ 4.41Å; K139-F141 HydrophobicContact CD-CZ 4.44Å; K139-T158 PolarHBondContact N-O 2.83Å; K139-T158 PolarHBondContact O-N 3.47Å; K139-T158 PolarHBondContact O-OG1 3.41Å; K139-S160 VanDerWaalsContact CE-OG 3.28Å; K139-S160 WeakPolarHBondContact CE-OG 3.43Å
140Y93.9Very high90.1Very high3 Ų369.5 Ų69.51%0.01233%0.329CS..EExtended strand (participates in β ladder)trans-110.5120.2172.1-56.5-108.5000107L79 T80 L81 M85 F132 I133 R138 L142 R156 Q157L79-Y140 HydrophobicContact CD1-CD1 4.04Å; L79-Y140 HydrophobicContact CD1-CE1 4.11Å; L79-Y140 HydrophobicContact CD2-CD1 4.27Å; L79-Y140 HydrophobicContact CD2-CE1 4.49Å; L79-Y140 HydrophobicContact CG-CD1 4.32Å; L79-Y140 HydrophobicContact CG-CE1 4.18Å; T80-Y140 PolarHBondContact O-OH 3.32Å; L81-Y140 WeakPolarHBondContact CA-OH 3.49Å; L81-Y140 HydrophobicContact CB-CE1 4.08Å; M85-Y140 HydrophobicContact CE-CD2 3.57Å; M85-Y140 HydrophobicContact CE-CE2 3.56Å; M85-Y140 HydrophobicContact SD-CD2 4.22Å; M85-Y140 HydrophobicContact SD-CE2 3.59Å; M85-Y140 VanDerWaalsContact SD-CE2 3.59Å; F132-Y140 CarbonylContact C-O 3.57Å; F132-Y140 WeakPolarHBondContact CA-O 3.21Å; F132-Y140 WeakPolarHBondContact CB-O 3.37Å; I133-Y140 HydrophobicContact CD1-CD2 4.49Å; I133-Y140 HydrophobicContact CG1-CD2 4.14Å; I133-Y140 HydrophobicContact CG1-CG 4.24Å; I133-Y140 PolarHBondContact N-O 3.05Å; I133-Y140 PolarHBondContact O-N 3.33Å; R138-Y140 HydrophobicContact CB-CE2 3.68Å; Y140-L142 WeakPolarHBondContact O-CD1 3.19Å; Y140-R156 CarbonylContact C-O 3.51Å; Y140-R156 WeakPolarHBondContact CA-O 3.35Å; Y140-Q157 HydrophobicContact CD1-CB 3.64Å; Y140-Q157 HydrophobicContact CD1-CG 3.98Å; Y140-Q157 HydrophobicContact CE1-CB 3.57Å; Y140-Q157 HydrophobicContact CE1-CG 3.52Å; Y140-Q157 HydrophobicContact CE2-CG 4.41Å; Y140-Q157 HydrophobicContact CG-CB 4.43Å; Y140-Q157 PolarHBondContact OH-NE2 2.79Å
141F95.5Very high90Very high61 Ų6168.7 Ų68.727%0.26832%0.316SS..EExtended strand (participates in β ladder)trans-93.6133174.2-64.5-86.5000109F132 K139 I155 R156 T158F132-F141 HydrophobicContact CB-CD1 4.06Å; F132-F141 HydrophobicContact CB-CE1 4.34Å; K139-F141 HydrophobicContact CB-CE2 4.05Å; K139-F141 HydrophobicContact CB-CZ 4.41Å; K139-F141 HydrophobicContact CD-CZ 4.44Å; F141-I155 CarbonylContact O-C 3.55Å; F141-I155 WeakPolarHBondContact O-CA 3.47Å; F141-R156 VanDerWaalsContact CD2-NH2 3.34Å; F141-R156 PolarHBondContact N-O 2.81Å; F141-R156 PolarHBondContact O-N 2.68Å; F141-T158 HydrophobicContact CD2-CG2 4.15Å; F141-T158 HydrophobicContact CE2-CG2 4.04Å; F141-T158 WeakPolarHBondContact CE2-OG1 3.5Å
142L97.2Very high90Very high0 Ų067 Ų670%031%0.308CS..EExtended strand (participates in β ladder)trans-119.8107.5-179.2-66.287.7000107.8L89 C92 F96 S130 E131 I133 Y140 L153 R154 I155L89-L142 HydrophobicContact CD1-CD2 3.72Å; C92-L142 HydrophobicContact CB-CD2 4.13Å; F96-L142 HydrophobicContact CE2-CB 3.62Å; F96-L142 HydrophobicContact CE2-CD2 3.98Å; F96-L142 HydrophobicContact CE2-CG 4.45Å; F96-L142 HydrophobicContact CZ-CB 3.86Å; F96-L142 WeakPolarHBondContact CZ-O 3.26Å; S130-L142 CarbonylContact C-O 3.54Å; S130-L142 VanDerWaalsContact CA-O 3.29Å; S130-L142 WeakPolarHBondContact CA-O 3.24Å; E131-L142 HydrophobicContact CB-CB 4.41Å; E131-L142 PolarHBondContact N-O 3.42Å; E131-L142 PolarHBondContact O-N 3.22Å; I133-L142 HydrophobicContact CG1-CD1 4.2Å; Y140-L142 WeakPolarHBondContact O-CD1 3.19Å; L142-L153 HydrophobicContact CB-CD1 4.28Å; L142-R154 WeakPolarHBondContact CA-O 3.45Å; L142-I155 HydrophobicContact CD2-CD1 4.37Å; L142-I155 HydrophobicContact CD2-CG1 4.36Å; L142-I155 HydrophobicContact CG-CG1 4.22Å; L142-I155 HydrophobicContact CG-CG2 4.33Å
143D96.4Very high90.2Very high25 Ų2561.3 Ų61.313%0.13428%0.283CS..EExtended strand (participates in β ladder)trans-113.4116179.4-62.8-30.4000110.7V127 S130 K145 L153 R154V127-D143 HydrophobicContact CG1-CB 4.49Å; S130-D143 WeakPolarHBondContact CB-OD1 3.46Å; S130-D143 PolarHBondContact OG-OD1 3.39Å; D143-K145 HydrophobicContact CB-CD 4.2Å; D143-K145 HydrophobicContact CB-CG 3.93Å; D143-K145 WeakPolarHBondContact OD2-CE 3.36Å; D143-K145 IonicContact OD2-NZ 3.98Å; D143-K145 PolarHBondContact OD2-NZ 3.11Å; D143-L153 CarbonylContact O-C 3.55Å; D143-L153 WeakPolarHBondContact O-CA 3.38Å; D143-R154 PolarHBondContact N-O 2.93Å; D143-R154 PolarHBondContact O-N 3.15Å
144L97.1Very high90.3Very high0 Ų064.1 Ų64.10%029%0.293CS..EExtended strand (participates in β ladder)trans-80117.5164.8-176.767.2000108.4F96 Y99 L128 K129 L153 A181F96-L144 HydrophobicContact CD1-CB 3.71Å; F96-L144 HydrophobicContact CD1-CD2 4.24Å; F96-L144 HydrophobicContact CE1-CB 3.76Å; Y99-L144 HydrophobicContact CD1-CD2 3.68Å; Y99-L144 HydrophobicContact CE1-CD2 4.05Å; L128-L144 HydrophobicContact CB-CD2 4.43Å; L128-L144 HydrophobicContact CB-CG 4.4Å; L128-L144 HydrophobicContact CD1-CD2 4.46Å; L128-L144 HydrophobicContact CD1-CG 4.36Å; L128-L144 PolarHBondContact N-O 2.94Å; K129-L144 HydrophobicContact CB-CB 4.47Å; K129-L144 PolarHBondContact N-O 2.73Å; K129-L144 PolarHBondContact O-N 3.18Å; L144-L153 HydrophobicContact CB-CD1 4.25Å; L144-A181 HydrophobicContact CD1-CB 4.2Å
145K95.6Very high90.6Very high39 Ų3960 Ų6017%0.1727%0.273CS..EExtended strand (participates in β ladder)trans-126159.5-177.2-52.9-161.5-177.3-157.90111.7R126 V127 D143 R151 F152R126-K145 WeakPolarHBondContact O-CA 3.5Å; V127-K145 HydrophobicContact CG1-CG 4.45Å; V127-K145 HydrophobicContact CG2-CD 3.9Å; V127-K145 HydrophobicContact CG2-CG 4.19Å; D143-K145 HydrophobicContact CB-CD 4.2Å; D143-K145 HydrophobicContact CB-CG 3.93Å; D143-K145 WeakPolarHBondContact OD2-CE 3.36Å; D143-K145 IonicContact OD2-NZ 3.98Å; D143-K145 PolarHBondContact OD2-NZ 3.11Å; K145-R151 CarbonylContact O-C 3.56Å; K145-R151 VanDerWaalsContact O-CA 3.28Å; K145-R151 WeakPolarHBondContact O-CA 3.44Å; K145-F152 HydrophobicContact CB-CD2 4.47Å; K145-F152 HydrophobicContact CB-CE1 4Å; K145-F152 HydrophobicContact CB-CE2 3.89Å; K145-F152 HydrophobicContact CB-CZ 3.63Å; K145-F152 HydrophobicContact CG-CE2 4.37Å; K145-F152 HydrophobicContact CG-CZ 4.44Å; K145-F152 PolarHBondContact N-O 2.89Å; K145-F152 PolarHBondContact O-N 3.32Å
146E92.3Very high91.2Very high60 Ų6058.6 Ų58.628%0.2827%0.268SS..EExtended strand (participates in β ladder)trans-119142.1176-169.7152.8-143.400110.6R126 L128 R151R126-E146 PolarHBondContact O-N 3.31Å; L128-E146 HydrophobicContact CD1-CB 4.06Å; L128-E146 HydrophobicContact CD2-CB 4.48Å; L128-E146 HydrophobicContact CG-CB 4.31Å; E146-R151 HydrophobicContact CB-CG 4.13Å; E146-R151 HydrophobicContact CG-CG 3.91Å; E146-R151 IonicContact OE1-CZ 2.94Å; E146-R151 VanDerWaalsContact OE1-CZ 3.23Å; E146-R151 IonicContact OE1-NE 3.96Å; E146-R151 PolarHBondContact OE1-NE 3.4Å; E146-R151 IonicContact OE1-NH2 3.56Å; E146-R151 PolarHBondContact OE1-NH2 3.26Å; E146-R151 IonicContact OE2-CZ 3.69Å; E146-R151 IonicContact OE2-NE 2.54Å; E146-R151 PolarHBondContact OE2-NE 3.19Å; E146-R151 IonicContact OE2-NH2 3.9Å
147N88.3Confident92.1Very high47 Ų4754 Ų5425%0.25124%0.243SC..EExtended strand (participates in β ladder)trans-146.9179.2169.469.622000110R149 G150 F152N147-R149 PolarHBondContact O-N 2.72Å; N147-R149 WeakPolarHBondContact OD1-CA 3.39Å; N147-R149 WeakPolarHBondContact OD1-CB 3.42Å; N147-R149 PolarHBondContact OD1-N 2.54Å; N147-G150 PolarHBondContact N-O 2.88Å; N147-G150 VanDerWaalsContact N-O 3.08Å; N147-G150 PolarHBondContact O-N 2.98Å; N147-G150 PolarHBondContact OD1-N 2.84Å; N147-G150 PolarHBondContact OD1-O 3.08Å; N147-F152 HydrophobicContact CB-CE1 4.16Å; N147-F152 WeakPolarHBondContact ND2-CE1 3.34Å
148Q88.2Confident92.3Very high195 Ų19550 Ų5091%0.91122%0.223SC*.THydrogen-bonded Turntrans-54.5-17.9178-64.4174.8-9.600115.2
149R86Confident91.6Very high187 Ų18750.5 Ų50.571%0.70623%0.234SC*.THydrogen-bonded Turntrans-97.93.8177.6-61.7175.152.6-169.1-8.1113.1W65 N147W65-R149 VanDerWaalsContact CH2-NH2 3.34Å; N147-R149 PolarHBondContact O-N 2.72Å; N147-R149 WeakPolarHBondContact OD1-CA 3.39Å; N147-R149 WeakPolarHBondContact OD1-CB 3.42Å; N147-R149 PolarHBondContact OD1-N 2.54Å
150G90.9Very high89.9Confident24 Ų2449.9 Ų49.925%0.24724%0.238CC..EExtended strand (participates in β ladder)trans107.6-165.8-178.600000114N147N147-G150 PolarHBondContact N-O 2.88Å; N147-G150 VanDerWaalsContact N-O 3.08Å; N147-G150 PolarHBondContact O-N 2.98Å; N147-G150 PolarHBondContact OD1-N 2.84Å; N147-G150 PolarHBondContact OD1-O 3.08Å
151R94.8Very high88Confident45 Ų4555.8 Ų55.817%0.1726%0.263CS..EExtended strand (participates in β ladder)trans-93.1144.3-176-59.5178.2-172.3144.98111.6Y100 I103 L128 K145 E146 A181Y100-R151 HydrophobicContact CD2-CB 4.43Å; Y100-R151 HydrophobicContact CE2-CB 4.02Å; Y100-R151 HydrophobicContact CE2-CG 4.43Å; I103-R151 PolarHBondContact O-NH1 3.23Å; L128-R151 HydrophobicContact CD1-CG 4.15Å; K145-R151 CarbonylContact O-C 3.56Å; K145-R151 VanDerWaalsContact O-CA 3.28Å; K145-R151 WeakPolarHBondContact O-CA 3.44Å; E146-R151 HydrophobicContact CB-CG 4.13Å; E146-R151 HydrophobicContact CG-CG 3.91Å; E146-R151 IonicContact OE1-CZ 2.94Å; E146-R151 VanDerWaalsContact OE1-CZ 3.23Å; E146-R151 IonicContact OE1-NE 3.96Å; E146-R151 PolarHBondContact OE1-NE 3.4Å; E146-R151 IonicContact OE1-NH2 3.56Å; E146-R151 PolarHBondContact OE1-NH2 3.26Å; E146-R151 IonicContact OE2-CZ 3.69Å; E146-R151 IonicContact OE2-NE 2.54Å; E146-R151 PolarHBondContact OE2-NE 3.19Å; E146-R151 IonicContact OE2-NH2 3.9Å; R151-A181 HydrophobicContact CB-CB 3.78Å; R151-A181 VanDerWaalsContact O-CB 3.29Å; R151-A181 WeakPolarHBondContact O-CB 3.35Å; R151-A181 PolarHBondContact O-N 3.01Å
152F95.7Very high85.4Confident30 Ų3055.7 Ų55.713%0.13228%0.28CS..EExtended strand (participates in β ladder)trans-150.1145.6-179.462.5-86.8000111.8K145 N147 R154 V178 L179K145-F152 HydrophobicContact CB-CD2 4.47Å; K145-F152 HydrophobicContact CB-CE1 4Å; K145-F152 HydrophobicContact CB-CE2 3.89Å; K145-F152 HydrophobicContact CB-CZ 3.63Å; K145-F152 HydrophobicContact CG-CE2 4.37Å; K145-F152 HydrophobicContact CG-CZ 4.44Å; K145-F152 PolarHBondContact N-O 2.89Å; K145-F152 PolarHBondContact O-N 3.32Å; N147-F152 HydrophobicContact CB-CE1 4.16Å; N147-F152 WeakPolarHBondContact ND2-CE1 3.34Å; F152-R154 HydrophobicContact CD2-CB 4.44Å; F152-R154 HydrophobicContact CE2-CB 4.32Å; F152-V178 HydrophobicContact CB-CG1 4.04Å; F152-V178 HydrophobicContact CD2-CG1 3.53Å; F152-V178 HydrophobicContact CE2-CG1 4.24Å; F152-V178 HydrophobicContact CG-CG1 3.98Å; F152-L179 CarbonylContact C-O 3.57Å; F152-L179 WeakPolarHBondContact CA-O 3.42Å; F152-L179 WeakPolarHBondContact CB-O 3.48Å
153L97.1Very high82.5Confident0 Ų065.7 Ų65.70%033%0.326CS..EExtended strand (participates in β ladder)trans-92.7116.7170.5-174.568.3000109L93 F96 L142 D143 L144 I155 V178 L179 L184L93-L153 HydrophobicContact CD2-CD2 3.56Å; F96-L153 HydrophobicContact CD1-CD1 4.02Å; F96-L153 HydrophobicContact CD2-CD1 3.83Å; F96-L153 HydrophobicContact CD2-CD2 4.21Å; F96-L153 HydrophobicContact CE1-CD1 3.95Å; F96-L153 HydrophobicContact CE2-CD1 3.81Å; F96-L153 HydrophobicContact CG-CD1 3.98Å; F96-L153 HydrophobicContact CZ-CD1 3.87Å; L142-L153 HydrophobicContact CB-CD1 4.28Å; D143-L153 CarbonylContact O-C 3.55Å; D143-L153 WeakPolarHBondContact O-CA 3.38Å; L144-L153 HydrophobicContact CB-CD1 4.25Å; L153-I155 HydrophobicContact CD2-CD1 4.2Å; L153-I155 HydrophobicContact CD2-CG1 4.17Å; L153-I155 HydrophobicContact CG-CG1 4.15Å; L153-V178 CarbonylContact O-C 3.46Å; L153-V178 WeakPolarHBondContact O-CA 3.17Å; L153-L179 HydrophobicContact CB-CB 4.45Å; L153-L179 PolarHBondContact N-O 2.94Å; L153-L179 PolarHBondContact O-N 2.87Å; L153-L184 HydrophobicContact CB-CD2 3.87Å; L153-L184 HydrophobicContact CD2-CD2 3.67Å; L153-L184 HydrophobicContact CG-CD2 4.43Å
154R95.5Very high79.8Confident75 Ų7568.2 Ų68.228%0.28336%0.358SS..EExtended strand (participates in β ladder)trans-93.2117.3169.3179.8177.2179.1-163.9-7.6108.7L142 D143 F152 E174 T176 V178L142-R154 WeakPolarHBondContact CA-O 3.45Å; D143-R154 PolarHBondContact N-O 2.93Å; D143-R154 PolarHBondContact O-N 3.15Å; F152-R154 HydrophobicContact CD2-CB 4.44Å; F152-R154 HydrophobicContact CE2-CB 4.32Å; R154-E174 IonicContact NH2-OE2 2.66Å; R154-E174 PolarHBondContact NH2-OE2 2.9Å; R154-T176 PolarHBondContact NE-OG1 2.86Å; R154-V178 HydrophobicContact CB-CG2 4.37Å; R154-V178 HydrophobicContact CG-CG2 4.17Å
155I95.6Very high77.2Confident2 Ų271.5 Ų71.51%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-100.5130.6170.2-51.9179.7000107.6L79 L89 F141 L142 L153 T176 I177 L179L79-I155 HydrophobicContact CD1-CG2 4.49Å; L79-I155 HydrophobicContact CD2-CB 4.33Å; L79-I155 HydrophobicContact CD2-CG2 3.59Å; L89-I155 HydrophobicContact CD1-CD1 3.96Å; F141-I155 CarbonylContact O-C 3.55Å; F141-I155 WeakPolarHBondContact O-CA 3.47Å; L142-I155 HydrophobicContact CD2-CD1 4.37Å; L142-I155 HydrophobicContact CD2-CG1 4.36Å; L142-I155 HydrophobicContact CG-CG1 4.22Å; L142-I155 HydrophobicContact CG-CG2 4.33Å; L153-I155 HydrophobicContact CD2-CD1 4.2Å; L153-I155 HydrophobicContact CD2-CG1 4.17Å; L153-I155 HydrophobicContact CG-CG1 4.15Å; I155-T176 CarbonylContact O-C 3.59Å; I155-T176 WeakPolarHBondContact O-CA 3.31Å; I155-T176 WeakPolarHBondContact O-CB 3.34Å; I155-T176 PolarHBondContact O-OG1 2.88Å; I155-I177 HydrophobicContact CB-CG1 3.96Å; I155-I177 HydrophobicContact CD1-CD1 4.42Å; I155-I177 PolarHBondContact N-O 2.99Å; I155-I177 PolarHBondContact O-N 2.75Å; I155-L179 HydrophobicContact CD1-CD1 3.83Å; I155-L179 HydrophobicContact CG1-CD1 4.05Å
156R93.4Very high74.8Confident62 Ų6278.7 Ų78.723%0.23442%0.418CS..EExtended strand (participates in β ladder)trans-137.5114.4-176.2179.2-175.669.3124.1-1.7110.4Y140 F141 E174Y140-R156 CarbonylContact C-O 3.51Å; Y140-R156 WeakPolarHBondContact CA-O 3.35Å; F141-R156 VanDerWaalsContact CD2-NH2 3.34Å; F141-R156 PolarHBondContact N-O 2.81Å; F141-R156 PolarHBondContact O-N 2.68Å; R156-E174 WeakPolarHBondContact CD-OE1 3.43Å; R156-E174 VanDerWaalsContact CD-OE2 3.3Å; R156-E174 WeakPolarHBondContact CD-OE2 3.45Å; R156-E174 HydrophobicContact CG-CB 4.43Å; R156-E174 IonicContact CZ-OE1 3.35Å; R156-E174 IonicContact NH1-OE1 2.72Å; R156-E174 PolarHBondContact NH1-OE1 2.89Å
157Q89.5Confident72Confident20 Ų2078.5 Ų78.59%0.09343%0.432CS..EExtended strand (participates in β ladder)trans-79.8130.1170.2-178.7-179.4-8.700110.5L79 T80 Y140 Q175L79-Q157 HydrophobicContact CD1-CB 3.63Å; T80-Q157 PolarHBondContact O-OE1 3.04Å; Y140-Q157 HydrophobicContact CD1-CB 3.64Å; Y140-Q157 HydrophobicContact CD1-CG 3.98Å; Y140-Q157 HydrophobicContact CE1-CB 3.57Å; Y140-Q157 HydrophobicContact CE1-CG 3.52Å; Y140-Q157 HydrophobicContact CE2-CG 4.41Å; Y140-Q157 HydrophobicContact CG-CB 4.43Å; Y140-Q157 PolarHBondContact OH-NE2 2.79Å; Q157-Q175 HydrophobicContact CB-CB 4.14Å; Q157-Q175 PolarHBondContact N-O 3.15Å
158T82.2Confident69.5Low34 Ų3486.9 Ų86.921%0.20946%0.462CS..EExtended strand (participates in β ladder)trans-117.1149.3159.169.40000109K139 F141K139-T158 PolarHBondContact N-O 2.83Å; K139-T158 PolarHBondContact O-N 3.47Å; K139-T158 PolarHBondContact O-OG1 3.41Å; F141-T158 HydrophobicContact CD2-CG2 4.15Å; F141-T158 HydrophobicContact CE2-CG2 4.04Å; F141-T158 WeakPolarHBondContact CE2-OG1 3.5Å
159V67.5Low66.9Low91 Ų9188 Ų8855%0.55246%0.459SS*.EExtended strand (participates in β ladder)trans-92.9140.6160.8-75.40000107.4R138 K161R138-V159 HydrophobicContact CG-CG1 4.47Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 2.93Å
160S56Low64.5Low48 Ų4882.2 Ų82.234%0.33646%0.458SS..  trans-60.295.8174.5-71.80000109.5N137 K139 G162N137-S160 PolarHBondContact O-N 3.31Å; K139-S160 VanDerWaalsContact CE-OG 3.28Å; K139-S160 WeakPolarHBondContact CE-OG 3.43Å; S160-G162 PolarHBondContact O-N 3.31Å
161K54.3Low62Low126 Ų12689.2 Ų89.255%0.54848%0.484SS..  trans-62.5115166.6-77.8-178.4161.9-153.20106.4V159 S165V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 PolarHBondContact O-N 2.93Å; K161-S165 PolarHBondContact NZ-OG 3.3Å
162G40.8Very low59.8Low60 Ų6089.8 Ų89.862%0.61950%0.503SS*.  trans-53.5145.4168.900000110.3S160 G164S160-G162 PolarHBondContact O-N 3.31Å; G162-G164 PolarHBondContact O-N 3.42Å
163H35.7Very low57.8Low209 Ų20996 Ų9697%0.96854%0.537SS*.THydrogen-bonded Turntrans-50.3125.6177.5-86.270.7000109.9
164G39.9Very low56.3Low78 Ų7899 Ų9980%0.80455%0.551SS**THydrogen-bonded Turntrans131-9.4-176.900000116.1G162 M166G162-G164 PolarHBondContact O-N 3.42Å; G164-M166 VanDerWaalsContact C-N 3.29Å; G164-M166 PolarHBondContact O-N 3.25Å
165S41.4Very low55.9Low69 Ų6998.1 Ų98.148%0.48355%0.55SS..  trans-9152.3176.8-168.70000113.1K161K161-S165 PolarHBondContact NZ-OG 3.3Å
166M45.4Very low55.7Low190 Ų19099.4 Ų99.494%0.93656%0.558SS**  trans-94.685159.9-17169.9115.600107.2G164G164-M166 VanDerWaalsContact C-N 3.29Å; G164-M166 PolarHBondContact O-N 3.25Å
167G33.7Very low55.7Low57 Ų5796.5 Ų96.559%0.58855%0.547SS*.  trans-141.1133.4-173.200000111Y169G167-Y169 PolarHBondContact O-N 2.9Å
168Y35.6Very low55.9Low222 Ų22297.4 Ų97.487%0.87155%0.553SS**SBendtrans-68.50.7-155.2-105.6-104.8000117.9
169Y34Very low56.6Low220 Ų22095.8 Ų95.886%0.86354%0.543SS*.SBendtrans-141.2130-179.7-70.3-83000112.7G167G167-Y169 PolarHBondContact O-N 2.9Å
170G34.8Very low57.9Low65 Ų6591.8 Ų91.867%0.6752%0.52SS*.  trans97.291.1166.300000115.6G172G170-G172 PolarHBondContact O-N 3.16Å; G170-G172 VanDerWaalsContact O-N 3.16Å
171Q39.7Very low59.8Low171 Ų17189.7 Ų89.780%0.79951%0.505SS*.  trans-56.8117.7149-73.9178-48.400107.8I173Q171-I173 PolarHBondContact O-N 3.21Å
172G48Very low61.7Low56 Ų5687.9 Ų87.958%0.57750%0.498SS*.  trans-58.3125.9165.400000107.6G170 E174G170-G172 PolarHBondContact O-N 3.16Å; G170-G172 VanDerWaalsContact O-N 3.16Å; G172-E174 PolarHBondContact O-N 2.9Å
173I53.4Low64.4Low162 Ų16285 Ų8583%0.83147%0.469SS*.  trans-47.9105.9-169.1-60.6169000109.6Q171 Q175Q171-I173 PolarHBondContact O-N 3.21Å; I173-Q175 PolarHBondContact O-N 3.19Å
174E65.1Low67.3Low63 Ų6375.1 Ų75.129%0.29442%0.423SS..  trans-64.1111.2-177.6-66.3-162.8138.500108.3R154 R156 G172 T176R154-E174 IonicContact NH2-OE2 2.66Å; R154-E174 PolarHBondContact NH2-OE2 2.9Å; R156-E174 WeakPolarHBondContact CD-OE1 3.43Å; R156-E174 VanDerWaalsContact CD-OE2 3.3Å; R156-E174 WeakPolarHBondContact CD-OE2 3.45Å; R156-E174 HydrophobicContact CG-CB 4.43Å; R156-E174 IonicContact CZ-OE1 3.35Å; R156-E174 IonicContact NH1-OE1 2.72Å; R156-E174 PolarHBondContact NH1-OE1 2.89Å; G172-E174 PolarHBondContact O-N 2.9Å; E174-T176 PolarHBondContact O-N 2.82Å
175Q87.1Confident70Confident56 Ų5675.2 Ų75.226%0.26241%0.405SS..EExtended strand (participates in β ladder)trans-70.2101.8171.8-74.8-170.227.200107.2K78 L79 T80 Q157 I173K78-Q175 WeakPolarHBondContact O-CA 3.49Å; K78-Q175 VanDerWaalsContact O-CB 3.29Å; K78-Q175 WeakPolarHBondContact O-CB 3.35Å; L79-Q175 HydrophobicContact CD1-CB 4.24Å; L79-Q175 WeakPolarHBondContact CD1-O 3.42Å; T80-Q175 PolarHBondContact OG1-OE1 3.03Å; Q157-Q175 HydrophobicContact CB-CB 4.14Å; Q157-Q175 PolarHBondContact N-O 3.15Å; I173-Q175 PolarHBondContact O-N 3.19Å
176T91.8Very high72.7Confident29 Ų2976.8 Ų76.818%0.17840%0.404CS..EExtended strand (participates in β ladder)trans-135.2141.6-175.3-168.40000110.2S77 R154 I155 E174S77-T176 VanDerWaalsContact CB-O 3.28Å; S77-T176 WeakPolarHBondContact CB-O 3.46Å; R154-T176 PolarHBondContact NE-OG1 2.86Å; I155-T176 CarbonylContact O-C 3.59Å; I155-T176 WeakPolarHBondContact O-CA 3.31Å; I155-T176 WeakPolarHBondContact O-CB 3.34Å; I155-T176 PolarHBondContact O-OG1 2.88Å; E174-T176 PolarHBondContact O-N 2.82Å
177I94.1Very high75.2Confident0 Ų067.8 Ų67.80%036%0.36CS..EExtended strand (participates in β ladder)trans-129153.6172.656.7173.9000108.7I61 E63 L79 I155 L179 F187I61-I177 HydrophobicContact CB-CD1 4.11Å; I61-I177 HydrophobicContact CD1-CD1 4.34Å; I61-I177 HydrophobicContact CG2-CD1 3.7Å; E63-I177 HydrophobicContact CB-CG2 4.07Å; E63-I177 WeakPolarHBondContact OE2-CA 3.33Å; L79-I177 HydrophobicContact CB-CD1 4.16Å; L79-I177 HydrophobicContact CB-CG1 4.32Å; L79-I177 HydrophobicContact CB-CG2 4.18Å; L79-I177 HydrophobicContact CD2-CD1 3.93Å; L79-I177 HydrophobicContact CD2-CG1 4.18Å; I155-I177 HydrophobicContact CB-CG1 3.96Å; I155-I177 HydrophobicContact CD1-CD1 4.42Å; I155-I177 PolarHBondContact N-O 2.99Å; I155-I177 PolarHBondContact O-N 2.75Å; I177-L179 HydrophobicContact CD1-CD1 3.87Å; I177-L179 HydrophobicContact CG1-CD1 3.86Å; I177-F187 HydrophobicContact CD1-CZ 4.5Å
178V94.4Very high78.3Confident39 Ų3968.2 Ų68.224%0.23634%0.344CS..EExtended strand (participates in β ladder)trans-130102.1-174175.60000109.6K44 E63 F152 L153 R154K44-V178 PolarHBondContact NZ-O 3.34Å; E63-V178 PolarHBondContact OE2-N 3.01Å; F152-V178 HydrophobicContact CB-CG1 4.04Å; F152-V178 HydrophobicContact CD2-CG1 3.53Å; F152-V178 HydrophobicContact CE2-CG1 4.24Å; F152-V178 HydrophobicContact CG-CG1 3.98Å; L153-V178 CarbonylContact O-C 3.46Å; L153-V178 WeakPolarHBondContact O-CA 3.17Å; R154-V178 HydrophobicContact CB-CG2 4.37Å; R154-V178 HydrophobicContact CG-CG2 4.17Å
179L95Very high81.2Confident0 Ų060.5 Ų60.50%032%0.317CS..EExtended strand (participates in β ladder)trans-91.2125.6-178.3-60.977.4000109.4F46 F152 L153 I155 I177 A181 L184 F187F46-L179 HydrophobicContact CE1-CD1 4.49Å; F46-L179 HydrophobicContact CE1-CG 4.06Å; F46-L179 HydrophobicContact CZ-CB 4.46Å; F46-L179 HydrophobicContact CZ-CG 4.16Å; F152-L179 CarbonylContact C-O 3.57Å; F152-L179 WeakPolarHBondContact CA-O 3.42Å; F152-L179 WeakPolarHBondContact CB-O 3.48Å; L153-L179 HydrophobicContact CB-CB 4.45Å; L153-L179 PolarHBondContact N-O 2.94Å; L153-L179 PolarHBondContact O-N 2.87Å; I155-L179 HydrophobicContact CD1-CD1 3.83Å; I155-L179 HydrophobicContact CG1-CD1 4.05Å; I177-L179 HydrophobicContact CD1-CD1 3.87Å; I177-L179 HydrophobicContact CG1-CD1 3.86Å; L179-A181 PolarHBondContact O-N 2.83Å; L179-L184 HydrophobicContact CB-CD2 4.25Å; L179-L184 HydrophobicContact CD2-CD2 4.26Å; L179-F187 HydrophobicContact CD2-CB 4.13Å; L179-F187 HydrophobicContact CD2-CD1 3.6Å; L179-F187 HydrophobicContact CD2-CD2 3.53Å; L179-F187 HydrophobicContact CD2-CE1 3.75Å; L179-F187 HydrophobicContact CD2-CE2 3.66Å; L179-F187 HydrophobicContact CD2-CG 3.47Å; L179-F187 VanDerWaalsContact CD2-CG 3.47Å; L179-F187 HydrophobicContact CD2-CZ 3.75Å; L179-F187 HydrophobicContact CG-CD2 4.45Å; L179-F187 HydrophobicContact CG-CE2 4.37Å
180P96.1Very high84.3Confident8 Ų850.6 Ų50.65%0.05228%0.281CS..EExtended strand (participates in β ladder)trans-59.5135.7168.1-20.733.3000110.2I41 Q42 K44 Q182 G183I41-P180 HydrophobicContact CG2-CB 3.85Å; I41-P180 HydrophobicContact CG2-CG 3.74Å; Q42-P180 HydrophobicContact CG-CB 4.33Å; Q42-P180 HydrophobicContact CG-CG 4.42Å; K44-P180 HydrophobicContact CD-CG 4.43Å; P180-Q182 PolarHBondContact O-N 3.43Å; P180-Q182 VanDerWaalsContact O-N 3.13Å; P180-G183 PolarHBondContact O-N 3.09Å
181A95.8Very high87.2Confident3 Ų347.5 Ų47.53%0.02525%0.249CC..G310 helixtrans-62.3-26.2-172.400000113.2Y100 L144 R151 L179 G183 L184Y100-A181 HydrophobicContact CD2-CB 3.71Å; Y100-A181 HydrophobicContact CE2-CB 3.46Å; Y100-A181 VanDerWaalsContact CE2-CB 3.46Å; Y100-A181 HydrophobicContact CG-CB 4.34Å; L144-A181 HydrophobicContact CD1-CB 4.2Å; R151-A181 HydrophobicContact CB-CB 3.78Å; R151-A181 VanDerWaalsContact O-CB 3.29Å; R151-A181 WeakPolarHBondContact O-CB 3.35Å; R151-A181 PolarHBondContact O-N 3.01Å; L179-A181 PolarHBondContact O-N 2.83Å; A181-G183 PolarHBondContact O-N 2.91Å; A181-L184 HydrophobicContact CB-CD1 4.23Å; A181-L184 WeakPolarHBondContact O-CG 3.43Å; A181-L184 PolarHBondContact O-N 3.04Å
182Q94.4Very high90Very high88 Ų8839.7 Ų39.741%0.41121%0.214SC..G310 helixtrans-62.6-25.1176.1-62.982.80.700113.7P180P180-Q182 PolarHBondContact O-N 3.43Å; P180-Q182 VanDerWaalsContact O-N 3.13Å
183G96.3Very high92.3Very high0 Ų041.4 Ų41.40%021%0.207CC..G310 helixtrans-10416.3-176.900000114.6I41 P180 A181 I185 E186 F187I41-G183 WeakPolarHBondContact CD1-O 3.29Å; P180-G183 PolarHBondContact O-N 3.09Å; A181-G183 PolarHBondContact O-N 2.91Å; G183-I185 VanDerWaalsContact C-N 3.33Å; G183-E186 VanDerWaalsContact C-OE2 3.31Å; G183-E186 VanDerWaalsContact CA-OE2 3.22Å; G183-E186 WeakPolarHBondContact CA-OE2 3.26Å; G183-F187 VanDerWaalsContact O-CB 3.3Å; G183-F187 WeakPolarHBondContact O-CB 3.42Å; G183-F187 PolarHBondContact O-N 3.41Å
184L97.3Very high94.3Very high1 Ų133.7 Ų33.71%0.00517%0.167CC..Hα-helixtrans-69.4-31.6-177.3-70173.6000112.4L93 F96 I97 L153 L179 A181 R188L93-L184 HydrophobicContact CD2-CD2 3.88Å; F96-L184 HydrophobicContact CB-CD1 4.42Å; I97-L184 HydrophobicContact CD1-CB 4.2Å; I97-L184 HydrophobicContact CG1-CB 3.66Å; L153-L184 HydrophobicContact CB-CD2 3.87Å; L153-L184 HydrophobicContact CD2-CD2 3.67Å; L153-L184 HydrophobicContact CG-CD2 4.43Å; L179-L184 HydrophobicContact CB-CD2 4.25Å; L179-L184 HydrophobicContact CD2-CD2 4.26Å; A181-L184 HydrophobicContact CB-CD1 4.23Å; A181-L184 WeakPolarHBondContact O-CG 3.43Å; A181-L184 PolarHBondContact O-N 3.04Å; L184-R188 VanDerWaalsContact O-CB 3.27Å; L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 PolarHBondContact O-N 2.91Å
185I97.3Very high95.7Very high81 Ų8132 Ų3242%0.41516%0.159SC..Hα-helixtrans-68.5-54.1-179.6-65.4169.7000109.4I97 G183 F187 R188 D189I97-I185 HydrophobicContact CD1-CG1 3.9Å; I97-I185 HydrophobicContact CG1-CG1 4.05Å; I97-I185 HydrophobicContact CG2-CD1 4.2Å; I97-I185 HydrophobicContact CG2-CG1 3.84Å; G183-I185 VanDerWaalsContact C-N 3.33Å; I185-F187 PolarHBondContact O-N 2.64Å; I185-R188 WeakPolarHBondContact O-CB 3.38Å; I185-R188 PolarHBondContact O-N 2.67Å; I185-R188 VanDerWaalsContact O-N 3.09Å; I185-D189 WeakPolarHBondContact CG2-OD2 3.47Å; I185-D189 WeakPolarHBondContact O-CB 3.46Å; I185-D189 PolarHBondContact O-N 3.41Å
186E97.9Very high96.1Very high102 Ų10235.3 Ų35.348%0.47718%0.175SC..Hα-helixtrans-60.2-36.1179.3-56.793.1139.400111.6V39 G183 A190V39-E186 HydrophobicContact CG1-CB 3.9Å; G183-E186 VanDerWaalsContact C-OE2 3.31Å; G183-E186 VanDerWaalsContact CA-OE2 3.22Å; G183-E186 WeakPolarHBondContact CA-OE2 3.26Å; E186-A190 VanDerWaalsContact O-CB 3.26Å; E186-A190 WeakPolarHBondContact O-CB 3.26Å; E186-A190 PolarHBondContact O-N 3.41Å
187F97.9Very high96.1Very high0 Ų038.2 Ų38.20%019%0.19CC..Hα-helixtrans-70.6-42.4175.2-166.8-82.7000112.5F46 L48 I61 L93 I177 L179 G183 I185 D189 L191F46-F187 HydrophobicContact CB-CD2 4.27Å; F46-F187 HydrophobicContact CB-CE2 3.95Å; F46-F187 HydrophobicContact CD1-CE2 4.06Å; F46-F187 HydrophobicContact CG-CD2 4.32Å; F46-F187 HydrophobicContact CG-CE2 4.04Å; L48-F187 HydrophobicContact CD1-CD2 4.26Å; L48-F187 HydrophobicContact CD1-CE2 3.82Å; L48-F187 HydrophobicContact CD1-CZ 4.39Å; L48-F187 HydrophobicContact CD2-CE2 4.42Å; L48-F187 HydrophobicContact CD2-CZ 4.31Å; L48-F187 HydrophobicContact CG-CE2 4.42Å; I61-F187 HydrophobicContact CD1-CE1 4.35Å; I61-F187 HydrophobicContact CD1-CZ 3.79Å; I61-F187 HydrophobicContact CG2-CE2 4.07Å; I61-F187 HydrophobicContact CG2-CZ 3.89Å; L93-F187 HydrophobicContact CD1-CD1 3.84Å; L93-F187 HydrophobicContact CD1-CE1 4.22Å; I177-F187 HydrophobicContact CD1-CZ 4.5Å; L179-F187 HydrophobicContact CD2-CB 4.13Å; L179-F187 HydrophobicContact CD2-CD1 3.6Å; L179-F187 HydrophobicContact CD2-CD2 3.53Å; L179-F187 HydrophobicContact CD2-CE1 3.75Å; L179-F187 HydrophobicContact CD2-CE2 3.66Å; L179-F187 HydrophobicContact CD2-CG 3.47Å; L179-F187 VanDerWaalsContact CD2-CG 3.47Å; L179-F187 HydrophobicContact CD2-CZ 3.75Å; L179-F187 HydrophobicContact CG-CD2 4.45Å; L179-F187 HydrophobicContact CG-CE2 4.37Å; G183-F187 VanDerWaalsContact O-CB 3.3Å; G183-F187 WeakPolarHBondContact O-CB 3.42Å; G183-F187 PolarHBondContact O-N 3.41Å; I185-F187 PolarHBondContact O-N 2.64Å; F187-D189 VanDerWaalsContact C-N 3.33Å; F187-L191 VanDerWaalsContact O-CB 3.26Å; F187-L191 WeakPolarHBondContact O-CB 3.47Å; F187-L191 PolarHBondContact O-N 3.02Å
188R97.8Very high96.1Very high67 Ų6741.2 Ų41.225%0.25320%0.201SC..Hα-helixtrans-62-41.5173.5-179.2-157.564.5-168.9-2.2110.9R90 L93 I97 L184 I185 L191 S192R90-R188 HydrophobicContact CG-CG 4.22Å; L93-R188 HydrophobicContact CB-CB 4.14Å; L93-R188 HydrophobicContact CB-CG 4.2Å; L93-R188 HydrophobicContact CD1-CB 4.34Å; I97-R188 HydrophobicContact CD1-CB 4.08Å; I97-R188 HydrophobicContact CD1-CG 4.47Å; L184-R188 VanDerWaalsContact O-CB 3.27Å; L184-R188 WeakPolarHBondContact O-CB 3.45Å; L184-R188 PolarHBondContact O-N 2.91Å; I185-R188 WeakPolarHBondContact O-CB 3.38Å; I185-R188 PolarHBondContact O-N 2.67Å; I185-R188 VanDerWaalsContact O-N 3.09Å; R188-L191 WeakPolarHBondContact O-CB 3.49Å; R188-L191 PolarHBondContact O-N 3.23Å; R188-S192 WeakPolarHBondContact O-CB 3.44Å; R188-S192 PolarHBondContact O-N 3.49Å; R188-S192 PolarHBondContact O-OG 3.48Å
189D97.8Very high95.5Very high59 Ų5940.5 Ų40.532%0.31620%0.202SC..Hα-helixtrans-74.9-41.3-174.4-63.8-9.5000110.7I185 F187 L191 S192 Q193I185-D189 WeakPolarHBondContact CG2-OD2 3.47Å; I185-D189 WeakPolarHBondContact O-CB 3.46Å; I185-D189 PolarHBondContact O-N 3.41Å; F187-D189 VanDerWaalsContact C-N 3.33Å; D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 2.92Å; D189-S192 WeakPolarHBondContact O-CB 3.27Å; D189-S192 PolarHBondContact O-N 3.24Å; D189-Q193 WeakPolarHBondContact O-CG 3.22Å; D189-Q193 PolarHBondContact O-N 3.01Å; D189-Q193 VanDerWaalsContact O-N 3.08Å
190A97.8Very high94.1Very high12 Ų1245.2 Ų45.210%0.09923%0.227CC..Hα-helixtrans-59.4-4016900000112.3V39 E186 L194V39-A190 HydrophobicContact CG2-CB 3.63Å; E186-A190 VanDerWaalsContact O-CB 3.26Å; E186-A190 WeakPolarHBondContact O-CB 3.26Å; E186-A190 PolarHBondContact O-N 3.41Å; A190-L194 WeakPolarHBondContact O-CG 3.3Å; A190-L194 PolarHBondContact O-N 2.99Å
191L97.3Very high92.3Very high1 Ų149 Ų491%0.00524%0.244CC..Hα-helixtrans-66.9-39.2174.6-179.862.9000112.2L48 L59 A86 L89 R90 L93 F187 R188 D189 L194 I195L48-L191 HydrophobicContact CD2-CB 4.45Å; L59-L191 HydrophobicContact CD2-CD1 3.32Å; A86-L191 HydrophobicContact CB-CD1 4.18Å; L89-L191 HydrophobicContact CB-CD2 4.21Å; L89-L191 HydrophobicContact CD2-CD2 3.91Å; L89-L191 HydrophobicContact CG-CD2 3.75Å; R90-L191 HydrophobicContact CB-CD2 4.02Å; R90-L191 HydrophobicContact CB-CG 4.43Å; L93-L191 HydrophobicContact CD1-CD2 3.89Å; F187-L191 VanDerWaalsContact O-CB 3.26Å; F187-L191 WeakPolarHBondContact O-CB 3.47Å; F187-L191 PolarHBondContact O-N 3.02Å; R188-L191 WeakPolarHBondContact O-CB 3.49Å; R188-L191 PolarHBondContact O-N 3.23Å; D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 2.92Å; L191-L194 PolarHBondContact O-N 2.83Å; L191-I195 HydrophobicContact CD1-CD1 4.21Å; L191-I195 HydrophobicContact CG-CD1 3.89Å; L191-I195 WeakPolarHBondContact O-CD1 3.47Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.21Å; L191-I195 PolarHBondContact O-N 3.26Å
192S97.3Very high90.2Very high7 Ų754.9 Ų54.95%0.04927%0.271CS..Hα-helixtrans-59.7-52.1179.1-58.40000110.6R90 R188 D189 L194 I195 E196R90-S192 WeakPolarHBondContact CD-OG 3.05Å; R90-S192 PolarHBondContact NE-OG 3.33Å; R188-S192 WeakPolarHBondContact O-CB 3.44Å; R188-S192 PolarHBondContact O-N 3.49Å; R188-S192 PolarHBondContact O-OG 3.48Å; D189-S192 WeakPolarHBondContact O-CB 3.27Å; D189-S192 PolarHBondContact O-N 3.24Å; S192-L194 VanDerWaalsContact C-N 3.3Å; S192-L194 PolarHBondContact O-N 3.23Å; S192-I195 WeakPolarHBondContact O-CA 3.48Å; S192-I195 WeakPolarHBondContact O-CB 3.44Å; S192-I195 PolarHBondContact O-N 2.95Å; S192-E196 WeakPolarHBondContact O-CG 3.28Å; S192-E196 PolarHBondContact O-N 2.84Å
193Q96.3Very high87.9Confident92 Ų9253.7 Ų53.743%0.4328%0.276SS..Hα-helixtrans-59.9-39.4176.9-61.7169.94.600111.8D189 I195 E196 D197D189-Q193 WeakPolarHBondContact O-CG 3.22Å; D189-Q193 PolarHBondContact O-N 3.01Å; D189-Q193 VanDerWaalsContact O-N 3.08Å; Q193-I195 VanDerWaalsContact C-N 3.25Å; Q193-I195 PolarHBondContact O-N 2.96Å; Q193-E196 PolarHBondContact O-N 3.35Å; Q193-D197 VanDerWaalsContact O-CB 3.24Å; Q193-D197 WeakPolarHBondContact O-CB 3.48Å; Q193-D197 PolarHBondContact O-N 2.66Å
194L95.9Very high85.4Confident0 Ų057.3 Ų57.30%030%0.296CS..Hα-helixtrans-67.1-24.9176.3-70.6173.9000113.7A35 K37 L48 V50 L59 M83 A190 L191 S192 Y198A35-L194 HydrophobicContact CB-CD2 3.93Å; K37-L194 HydrophobicContact CB-CD1 4.36Å; K37-L194 HydrophobicContact CD-CD1 4.45Å; K37-L194 HydrophobicContact CD-CD2 3.85Å; K37-L194 HydrophobicContact CD-CG 3.92Å; K37-L194 HydrophobicContact CG-CD2 4.03Å; K37-L194 HydrophobicContact CG-CG 4.38Å; L48-L194 HydrophobicContact CB-CD1 3.69Å; L48-L194 HydrophobicContact CD2-CD1 4.14Å; V50-L194 HydrophobicContact CG2-CB 4.06Å; V50-L194 HydrophobicContact CG2-CD1 4.09Å; V50-L194 HydrophobicContact CG2-CD2 3.83Å; V50-L194 HydrophobicContact CG2-CG 4.2Å; L59-L194 HydrophobicContact CD1-CD1 4.31Å; M83-L194 WeakPolarHBondContact CE-O 3.38Å; A190-L194 WeakPolarHBondContact O-CG 3.3Å; A190-L194 PolarHBondContact O-N 2.99Å; L191-L194 PolarHBondContact O-N 2.83Å; S192-L194 VanDerWaalsContact C-N 3.3Å; S192-L194 PolarHBondContact O-N 3.23Å; L194-Y198 HydrophobicContact CD2-CD2 4.21Å; L194-Y198 HydrophobicContact CD2-CE2 4.24Å; L194-Y198 WeakPolarHBondContact O-CB 3.47Å; L194-Y198 PolarHBondContact O-N 2.77Å
195I95.1Very high83.1Confident26 Ų2664.2 Ų64.213%0.13333%0.328CS..Hα-helixtrans-78.2-41.5172.5-67.1158.5000109.9A86 P87 R90 L191 S192 Q193 G199A86-I195 VanDerWaalsContact C-CD1 3.49Å; A86-I195 HydrophobicContact CB-CD1 3.83Å; A86-I195 HydrophobicContact CB-CG1 3.7Å; A86-I195 WeakPolarHBondContact O-CD1 3.35Å; P87-I195 HydrophobicContact CG-CG2 4.12Å; R90-I195 HydrophobicContact CB-CD1 3.88Å; R90-I195 HydrophobicContact CG-CD1 4.43Å; L191-I195 HydrophobicContact CD1-CD1 4.21Å; L191-I195 HydrophobicContact CG-CD1 3.89Å; L191-I195 WeakPolarHBondContact O-CD1 3.47Å; L191-I195 VanDerWaalsContact O-CG1 3.31Å; L191-I195 WeakPolarHBondContact O-CG1 3.21Å; L191-I195 PolarHBondContact O-N 3.26Å; S192-I195 WeakPolarHBondContact O-CA 3.48Å; S192-I195 WeakPolarHBondContact O-CB 3.44Å; S192-I195 PolarHBondContact O-N 2.95Å; Q193-I195 VanDerWaalsContact C-N 3.25Å; Q193-I195 PolarHBondContact O-N 2.96Å; I195-G199 WeakPolarHBondContact O-CA 3.41Å; I195-G199 PolarHBondContact O-N 2.84Å
196E94.3Very high80.7Confident126 Ų12668.6 Ų68.659%0.58935%0.346SS*.Hα-helixtrans-63.5-42.2175.2-68.3150.1-155.600111.4R90 S192 Q193R90-E196 IonicContact NH2-OE1 3.93Å; S192-E196 WeakPolarHBondContact O-CG 3.28Å; S192-E196 PolarHBondContact O-N 2.84Å; Q193-E196 PolarHBondContact O-N 3.35Å
197D93.2Very high78.1Confident91 Ų9166.1 Ų66.149%0.48735%0.347SS..Hα-helixtrans-74.9-31.7-179.6-63.2-33.5000113K37 Q193K37-D197 IonicContact NZ-OD2 3.08Å; K37-D197 PolarHBondContact NZ-OD2 2.96Å; Q193-D197 VanDerWaalsContact O-CB 3.24Å; Q193-D197 WeakPolarHBondContact O-CB 3.48Å; Q193-D197 PolarHBondContact O-N 2.66Å
198Y92.7Very high75.4Confident63 Ų6377.8 Ų77.825%0.24739%0.391CS..Hα-helixtrans-142.26-166.9-56-78.4000116.9L34 A35 V50 R57 L194L34-Y198 HydrophobicContact CB-CD1 4.04Å; L34-Y198 HydrophobicContact CB-CE1 3.88Å; L34-Y198 HydrophobicContact CD1-CD1 4.15Å; L34-Y198 PolarHBondContact O-OH 3.32Å; A35-Y198 HydrophobicContact CB-CD2 4.19Å; A35-Y198 HydrophobicContact CB-CE2 3.37Å; V50-Y198 HydrophobicContact CB-CD2 4.46Å; V50-Y198 HydrophobicContact CG1-CD2 4.4Å; V50-Y198 HydrophobicContact CG1-CG 4.08Å; V50-Y198 HydrophobicContact CG2-CD2 4.29Å; R57-Y198 WeakPolarHBondContact CD-O 3.38Å; R57-Y198 VanDerWaalsContact NH1-C 3.35Å; R57-Y198 PolarHBondContact NH1-O 3.13Å; L194-Y198 HydrophobicContact CD2-CD2 4.21Å; L194-Y198 HydrophobicContact CD2-CE2 4.24Å; L194-Y198 WeakPolarHBondContact O-CB 3.47Å; L194-Y198 PolarHBondContact O-N 2.77Å
199G82.4Confident73Confident24 Ų2483.5 Ų83.525%0.24743%0.426CS..  trans-73.9-37.8-174.200000114.8I195 E201I195-G199 WeakPolarHBondContact O-CA 3.41Å; I195-G199 PolarHBondContact O-N 2.84Å; G199-E201 PolarHBondContact O-N 3.01Å
200D64.9Low70.1Confident99 Ų9984.1 Ų84.153%0.52945%0.446SS..THydrogen-bonded Turntrans-87.989.3-171.2-67.2-40.8000112.7A203D200-A203 WeakPolarHBondContact OD1-CB 3.01Å
201E59.1Low67.2Low87 Ų8788.5 Ų88.541%0.40748%0.477SS..THydrogen-bonded Turntrans-123-11.2154.9-113.7174.8-162.400112.7Q52 R57 G199Q52-E201 PolarHBondContact NE2-OE1 2.85Å; Q52-E201 PolarHBondContact NE2-OE2 2.87Å; Q52-E201 VanDerWaalsContact NE2-OE2 3.16Å; R57-E201 WeakPolarHBondContact CG-OE2 3.42Å; R57-E201 IonicContact CZ-OE1 2.67Å; R57-E201 IonicContact CZ-OE2 3.36Å; R57-E201 IonicContact NE-OE1 2.75Å; R57-E201 PolarHBondContact NE-OE1 2.82Å; R57-E201 IonicContact NE-OE2 2.77Å; R57-E201 PolarHBondContact NE-OE2 2.84Å; R57-E201 IonicContact NH2-OE1 2.66Å; R57-E201 PolarHBondContact NH2-OE1 2.91Å; R57-E201 IonicContact NH2-OE2 2.7Å; G199-E201 PolarHBondContact O-N 3.01Å
202E50.5Low64.5Low127 Ų127100.8 Ų100.859%0.59352%0.523SS*.SBendtrans-96.6-16.5173.2-73.2179-173.400113.3S84 R135S84-E202 VanDerWaalsContact CB-OE2 3.31Å; S84-E202 WeakPolarHBondContact CB-OE2 3.25Å; S84-E202 PolarHBondContact OG-OE1 3.21Å; R135-E202 IonicContact CZ-OE2 3.95Å; R135-E202 IonicContact NH1-OE2 3.01Å; R135-E202 IonicContact NH2-OE1 2.59Å; R135-E202 PolarHBondContact NH2-OE1 3.25Å; R135-E202 IonicContact NH2-OE2 3.32Å; R135-E202 PolarHBondContact NH2-OE2 2.86Å
203A46.4Very low62Low62 Ų62106.2 Ų106.251%0.51256%0.556SS.*SBendtrans-99.6-20.2-171.300000115.5D200 E205D200-A203 WeakPolarHBondContact OD1-CB 3.01Å; A203-E205 PolarHBondContact O-N 2.79Å
204D43.6Very low59.4Low77 Ų77110.2 Ų110.241%0.41257%0.567SS.*G310 helixtrans-67.8-13.9-172.6-95.5-2.1000114.9H206 R214D204-H206 VanDerWaalsContact C-N 3.25Å; D204-H206 PolarHBondContact O-N 3.43Å; D204-R214 IonicContact OD2-CZ 3.33Å; D204-R214 IonicContact OD2-NH1 2.72Å; D204-R214 PolarHBondContact OD2-NH1 3.04Å; D204-R214 IonicContact OD2-NH2 3.33Å; D204-R214 PolarHBondContact OD2-NH2 2.99Å
205E49.4Very low57Low145 Ų145118.4 Ų118.468%0.67861%0.61SS**G310 helixtrans-72.1-16.7-169.9-155.9-172.6144.600113.7A203A203-E205 PolarHBondContact O-N 2.79Å
206H48.2Very low54.8Low174 Ų174124.4 Ų124.481%0.80664%0.643SS**G310 helixtrans-123.111.5-173.1-69.378.9000114.4D204D204-H206 VanDerWaalsContact C-N 3.25Å; D204-H206 PolarHBondContact O-N 3.43Å
207G42.3Very low52.7Low49 Ų49124.2 Ų124.251%0.50565%0.645SS.*SBendtrans-138.269.7-161.800000117.9
208R41.8Very low51.1Low245 Ų245123.4 Ų123.493%0.92565%0.645SS**  trans7399.5159.7-53.1-179177.2-160.5-2118.6G210R208-G210 PolarHBondContact O-N 2.84Å
209L47.2Very low49.9Very low187 Ų187128.8 Ų128.898%0.97967%0.672SS**  trans28.489.7131.3-16773.2000117.7
210G36Very low49.9Very low72 Ų72130.1 Ų130.174%0.74267%0.674SS**  trans-174121.4167.900000115.6R208R208-G210 PolarHBondContact O-N 2.84Å
211S36.9Very low50.7Low105 Ų105129.4 Ų129.473%0.73467%0.674SS**  trans71.570.4158.8-134.50000120.6T213S211-T213 VanDerWaalsContact C-N 3.31Å; S211-T213 PolarHBondContact O-N 2.98Å
212R41.2Very low51.5Low258 Ų258134.3 Ų134.397%0.97470%0.697SS**SBend44.116118.6-58.4-175.574.5158.32.5122.6
213T44.3Very low53Low122 Ų122130.6 Ų130.675%0.74869%0.688SS**  trans-131.810.2-178.8-28.90000115.2S211S211-T213 VanDerWaalsContact C-N 3.31Å; S211-T213 PolarHBondContact O-N 2.98Å
214R42.9Very low54.8Low175 Ų175130.5 Ų130.566%0.6669%0.687SS**  trans-100.617.1-169-116.2178177.7139-3.6116.3D204D204-R214 IonicContact OD2-CZ 3.33Å; D204-R214 IonicContact OD2-NH1 2.72Å; D204-R214 PolarHBondContact OD2-NH1 3.04Å; D204-R214 IonicContact OD2-NH2 3.33Å; D204-R214 PolarHBondContact OD2-NH2 2.99Å
215L44.2Very low57.1Low173 Ų173129.5 Ų129.591%0.90669%0.686SS**SBendtrans-81.2-14.3-177.3-81.5171.3000115.6
216D49.2Very low58.9Low152 Ų152127.6 Ų127.681%0.81368%0.676SS**SBendtrans-103.80.6-165.9-69.6-30.9000116.2
217N50.3Low61Low121 Ų121126.7 Ų126.765%0.64767%0.666SS**SBendtrans-118.197.6176.5-157.936.3000110.3S239N217-S239 PolarHBondContact OD1-OG 3.24Å
218P58.7Low63.3Low74 Ų74127.5 Ų127.548%0.48166%0.66SS.*PPolyproline II helixtrans-64.6137.3179.927-33.9000110.2L220 V244P218-L220 HydrophobicContact CG-CD2 4.36Å; P218-L220 WeakPolarHBondContact O-CD2 3.31Å; P218-L220 WeakPolarHBondContact O-CG 3.34Å; P218-L220 PolarHBondContact O-N 3.39Å; P218-V244 HydrophobicContact CG-CG2 4.19Å
219E68.7Low65.7Low176 Ų176122.6 Ų122.682%0.82265%0.653SS**PPolyproline II helixtrans-58127.8170.4-163.9-175.2166.600109.3
220L81.9Confident67.6Low53 Ų53118.5 Ų118.528%0.27763%0.632SS.*PPolyproline II helixtrans-101.3140-172.3-58.8-178.1000110.4P218 V237 V244P218-L220 HydrophobicContact CG-CD2 4.36Å; P218-L220 WeakPolarHBondContact O-CD2 3.31Å; P218-L220 WeakPolarHBondContact O-CG 3.34Å; P218-L220 PolarHBondContact O-N 3.39Å; L220-V237 HydrophobicContact CB-CG1 4.34Å; L220-V237 HydrophobicContact CD2-CG1 4.18Å; L220-V244 HydrophobicContact CD2-CG1 4.35Å; L220-V244 HydrophobicContact CD2-CG2 4.19Å
221P80.9Confident70.4Confident83 Ų83118.8 Ų118.854%0.53961%0.613SS.*PPolyproline II helixtrans-65.2152.8-178.828.6-36.9000112.3V237P221-V237 HydrophobicContact CG-CB 4.04Å; P221-V237 HydrophobicContact CG-CG1 4.19Å; P221-V237 HydrophobicContact CG-CG2 3.85Å
222E76.1Confident73.1Confident191 Ų191118.4 Ų118.489%0.89360%0.595SS**PPolyproline II helixtrans-57140.7179.6-165.6-174.7169.700112.3A224E222-A224 PolarHBondContact O-N 3.01Å
223A83.3Confident75.7Confident49 Ų49108.4 Ų108.441%0.40556%0.559SS.*PPolyproline II helixtrans-74.3117.3-178.700000112.1F235A223-F235 WeakPolarHBondContact CA-O 3.28Å
224A83.9Confident78.1Confident59 Ų59106.1 Ų106.149%0.48854%0.537SS..EExtended strand (participates in β ladder)trans-82.2149.7177.400000112.4E222 F235E222-A224 PolarHBondContact O-N 3.01Å; A224-F235 HydrophobicContact CB-CB 4.25Å; A224-F235 PolarHBondContact N-O 2.59Å; A224-F235 PolarHBondContact O-N 3.18Å
225S91.4Very high80.6Confident56 Ų56100.4 Ų100.439%0.39252%0.517SS..EExtended strand (participates in β ladder)trans-151.6146.4168.278.10000112.5F233S225-F233 WeakPolarHBondContact CA-O 3.27Å; S225-F233 VanDerWaalsContact CB-O 3.24Å; S225-F233 WeakPolarHBondContact CB-O 3.29Å
226F88Confident82.9Confident106 Ų10692.5 Ų92.547%0.46548%0.476SS..EExtended strand (participates in β ladder)trans-141.2166.3173.865-97.2000111.5V228 R232 F233 F235F226-V228 HydrophobicContact CD2-CG2 3.79Å; F226-V228 HydrophobicContact CE2-CG2 3.67Å; F226-R232 WeakPolarHBondContact O-CA 3.3Å; F226-R232 WeakPolarHBondContact O-CG 3.41Å; F226-F233 HydrophobicContact CD2-CD2 4.21Å; F226-F233 HydrophobicContact CE1-CB 4.3Å; F226-F233 HydrophobicContact CE2-CB 4.22Å; F226-F233 AromaticContact CE2-CD2 3.64Å; F226-F233 HydrophobicContact CE2-CD2 3.64Å; F226-F233 HydrophobicContact CE2-CE2 4.4Å; F226-F233 HydrophobicContact CE2-CG 4.2Å; F226-F233 HydrophobicContact CZ-CB 4.08Å; F226-F233 HydrophobicContact CZ-CD2 4.13Å; F226-F233 HydrophobicContact CZ-CG 4.26Å; F226-F233 PolarHBondContact N-O 3.05Å; F226-F233 PolarHBondContact O-N 2.79Å; F226-F235 AromaticContact CD1-CE2 3.84Å; F226-F235 HydrophobicContact CD1-CE2 3.84Å; F226-F235 HydrophobicContact CE1-CD2 4.35Å; F226-F235 AromaticContact CE1-CE2 3.31Å; F226-F235 HydrophobicContact CE1-CE2 3.31Å; F226-F235 AromaticContact CE1-CZ 3.7Å; F226-F235 HydrophobicContact CE1-CZ 3.7Å; F226-F235 HydrophobicContact CZ-CE2 4.1Å; F226-F235 HydrophobicContact CZ-CZ 4.22Å
227R91.1Very high84.9Confident155 Ų15586.2 Ų86.259%0.58544%0.443SS*.EExtended strand (participates in β ladder)trans-118.6136.3-179.7-174-175172.8136.27.5109.9D229 K231R227-D229 VanDerWaalsContact CZ-O 3.28Å; R227-D229 PolarHBondContact NE-O 3.26Å; R227-D229 PolarHBondContact NH2-O 2.85Å; R227-K231 WeakPolarHBondContact CA-O 3.47Å; R227-K231 VanDerWaalsContact CG-O 3.3Å; R227-K231 WeakPolarHBondContact CG-O 3.22Å
228V91.4Very high86.6Confident65 Ų6580.5 Ų80.539%0.39441%0.412SS..EExtended strand (participates in β ladder)trans-132.1126.9168.7-175.30000107.1F226 N230 K231 F233F226-V228 HydrophobicContact CD2-CG2 3.79Å; F226-V228 HydrophobicContact CE2-CG2 3.67Å; V228-N230 PolarHBondContact O-N 2.84Å; V228-K231 PolarHBondContact N-O 2.8Å; V228-K231 CarbonylContact O-C 3.59Å; V228-K231 WeakPolarHBondContact O-CA 3.31Å; V228-K231 WeakPolarHBondContact O-CB 3.44Å; V228-K231 PolarHBondContact O-N 2.96Å; V228-F233 HydrophobicContact CB-CE2 4.38Å; V228-F233 HydrophobicContact CG2-CE2 4.42Å
229D90.9Very high87.9Confident142 Ų14278.3 Ų78.376%0.75940%0.399SS*.THydrogen-bonded Turntrans49.6-120.2-177.1-49.3-38.9000113.4R227R227-D229 VanDerWaalsContact CZ-O 3.28Å; R227-D229 PolarHBondContact NE-O 3.26Å; R227-D229 PolarHBondContact NH2-O 2.85Å
230N89.2Confident88.4Confident101 Ų10173.2 Ų73.254%0.5438%0.377SS..THydrogen-bonded Turntrans-100.921.2174.5-161.121000113V228V228-N230 PolarHBondContact O-N 2.84Å
231K93.7Very high88.3Confident79 Ų7979 Ų7934%0.34340%0.395SS..EExtended strand (participates in β ladder)trans-116.9143.6176.8-59.4-176.8174.6-154.90110.2R227 V228 F233 E250 V251 R252R227-K231 WeakPolarHBondContact CA-O 3.47Å; R227-K231 VanDerWaalsContact CG-O 3.3Å; R227-K231 WeakPolarHBondContact CG-O 3.22Å; V228-K231 PolarHBondContact N-O 2.8Å; V228-K231 CarbonylContact O-C 3.59Å; V228-K231 WeakPolarHBondContact O-CA 3.31Å; V228-K231 WeakPolarHBondContact O-CB 3.44Å; V228-K231 PolarHBondContact O-N 2.96Å; K231-F233 HydrophobicContact CB-CE2 3.97Å; K231-F233 HydrophobicContact CB-CZ 4.26Å; K231-F233 HydrophobicContact CD-CE2 4.49Å; K231-F233 HydrophobicContact CD-CZ 4.09Å; K231-E250 HydrophobicContact CD-CG 4.3Å; K231-E250 VanDerWaalsContact CD-OE1 3.22Å; K231-E250 WeakPolarHBondContact CD-OE1 3.43Å; K231-E250 WeakPolarHBondContact CE-OE1 3.49Å; K231-E250 IonicContact NZ-OE1 3.78Å; K231-E250 PolarHBondContact NZ-OE1 2.94Å; K231-E250 IonicContact NZ-OE2 2.66Å; K231-V251 WeakPolarHBondContact CA-O 3.46Å; K231-R252 HydrophobicContact CG-CB 4.37Å
232R94.3Very high88.4Confident97 Ų9783.5 Ų83.537%0.36640%0.402SS..EExtended strand (participates in β ladder)trans-121.5131.6167.7-175.4179.7-77.9-100.85.7109.2F226 Y234 V251F226-R232 WeakPolarHBondContact O-CA 3.3Å; F226-R232 WeakPolarHBondContact O-CG 3.41Å; R232-Y234 HydrophobicContact CB-CE2 4.27Å; R232-Y234 WeakPolarHBondContact CD-OH 3.46Å; R232-Y234 HydrophobicContact CG-CD2 4.26Å; R232-Y234 HydrophobicContact CG-CE2 3.76Å; R232-V251 PolarHBondContact N-O 3.48Å; R232-V251 PolarHBondContact O-N 3.46Å
233F95.8Very high88.8Confident48 Ų4876.1 Ų76.121%0.21138%0.378CS..EExtended strand (participates in β ladder)trans-104.5132.6176.5-62.4-85.8000109.3S225 F226 V228 K231 F235 S249 E250S225-F233 WeakPolarHBondContact CA-O 3.27Å; S225-F233 VanDerWaalsContact CB-O 3.24Å; S225-F233 WeakPolarHBondContact CB-O 3.29Å; F226-F233 HydrophobicContact CD2-CD2 4.21Å; F226-F233 HydrophobicContact CE1-CB 4.3Å; F226-F233 HydrophobicContact CE2-CB 4.22Å; F226-F233 AromaticContact CE2-CD2 3.64Å; F226-F233 HydrophobicContact CE2-CD2 3.64Å; F226-F233 HydrophobicContact CE2-CE2 4.4Å; F226-F233 HydrophobicContact CE2-CG 4.2Å; F226-F233 HydrophobicContact CZ-CB 4.08Å; F226-F233 HydrophobicContact CZ-CD2 4.13Å; F226-F233 HydrophobicContact CZ-CG 4.26Å; F226-F233 PolarHBondContact N-O 3.05Å; F226-F233 PolarHBondContact O-N 2.79Å; V228-F233 HydrophobicContact CB-CE2 4.38Å; V228-F233 HydrophobicContact CG2-CE2 4.42Å; K231-F233 HydrophobicContact CB-CE2 3.97Å; K231-F233 HydrophobicContact CB-CZ 4.26Å; K231-F233 HydrophobicContact CD-CE2 4.49Å; K231-F233 HydrophobicContact CD-CZ 4.09Å; F233-F235 HydrophobicContact CB-CE2 3.7Å; F233-F235 HydrophobicContact CB-CZ 4.27Å; F233-S249 WeakPolarHBondContact CA-O 3.29Å; F233-E250 HydrophobicContact CD1-CB 4.09Å; F233-E250 HydrophobicContact CD1-CG 4.33Å; F233-E250 HydrophobicContact CE1-CB 3.82Å; F233-E250 HydrophobicContact CE1-CG 3.72Å; F233-E250 HydrophobicContact CZ-CG 4.15Å
234Y93.6Very high89.2Confident73 Ų7375.3 Ų75.329%0.28637%0.368SS..EExtended strand (participates in β ladder)trans-118.9142.1174.1-61.7-96.7000109.8R232 I248 S249 V251R232-Y234 HydrophobicContact CB-CE2 4.27Å; R232-Y234 WeakPolarHBondContact CD-OH 3.46Å; R232-Y234 HydrophobicContact CG-CD2 4.26Å; R232-Y234 HydrophobicContact CG-CE2 3.76Å; Y234-I248 CarbonylContact O-C 3.55Å; Y234-I248 WeakPolarHBondContact O-CA 3.49Å; Y234-S249 PolarHBondContact N-O 3.23Å; Y234-S249 PolarHBondContact O-N 2.71Å; Y234-V251 HydrophobicContact CD2-CG2 3.92Å; Y234-V251 HydrophobicContact CE2-CB 4.24Å; Y234-V251 HydrophobicContact CE2-CG2 3.74Å
235F95.6Very high89.6Confident55 Ų5573.7 Ų73.724%0.24135%0.35CS..EExtended strand (participates in β ladder)trans-126.583.9-179-63.1-97.7000107A223 A224 F226 F233 L246 I248A223-F235 WeakPolarHBondContact CA-O 3.28Å; A224-F235 HydrophobicContact CB-CB 4.25Å; A224-F235 PolarHBondContact N-O 2.59Å; A224-F235 PolarHBondContact O-N 3.18Å; F226-F235 AromaticContact CD1-CE2 3.84Å; F226-F235 HydrophobicContact CD1-CE2 3.84Å; F226-F235 HydrophobicContact CE1-CD2 4.35Å; F226-F235 AromaticContact CE1-CE2 3.31Å; F226-F235 HydrophobicContact CE1-CE2 3.31Å; F226-F235 AromaticContact CE1-CZ 3.7Å; F226-F235 HydrophobicContact CE1-CZ 3.7Å; F226-F235 HydrophobicContact CZ-CE2 4.1Å; F226-F235 HydrophobicContact CZ-CZ 4.22Å; F233-F235 HydrophobicContact CB-CE2 3.7Å; F233-F235 HydrophobicContact CB-CZ 4.27Å; F235-L246 HydrophobicContact CB-CD1 4.09Å; F235-I248 HydrophobicContact CD1-CD1 4.3Å; F235-I248 HydrophobicContact CD1-CG1 3.95Å; F235-I248 HydrophobicContact CD1-CG2 4.28Å; F235-I248 HydrophobicContact CE1-CD1 4.1Å; F235-I248 HydrophobicContact CE1-CG1 4.1Å; F235-I248 HydrophobicContact CE1-CG2 3.86Å; F235-I248 HydrophobicContact CZ-CG2 4.2Å
236D92.2Very high89.8Confident8 Ų872.6 Ų72.64%0.04334%0.339CS..EExtended strand (participates in β ladder)trans-91.9117.2178.6-46.1-82.1000108.6R55 K247R55-D236 IonicContact NH1-OD1 3.55Å; D236-K247 HydrophobicContact CB-CB 4.28Å; D236-K247 PolarHBondContact N-O 3.08Å; D236-K247 WeakPolarHBondContact O-CB 3.2Å; D236-K247 PolarHBondContact O-N 3.13Å
237V91.4Very high90.2Very high20 Ų2068.8 Ų68.812%0.12132%0.323CS..EExtended strand (participates in β ladder)trans-80.1140.3166.1177.30000109.1L220 P221 V244 F245 L246 W266L220-V237 HydrophobicContact CB-CG1 4.34Å; L220-V237 HydrophobicContact CD2-CG1 4.18Å; P221-V237 HydrophobicContact CG-CB 4.04Å; P221-V237 HydrophobicContact CG-CG1 4.19Å; P221-V237 HydrophobicContact CG-CG2 3.85Å; V237-V244 HydrophobicContact CG1-CG1 3.75Å; V237-F245 WeakPolarHBondContact CA-O 3.42Å; V237-L246 HydrophobicContact CG2-CD1 3.86Å; V237-W266 HydrophobicContact CB-CH2 4.48Å; V237-W266 HydrophobicContact CG1-CH2 3.81Å; V237-W266 HydrophobicContact CG1-CZ2 4.3Å; V237-W266 HydrophobicContact CG2-CH2 3.76Å; V237-W266 HydrophobicContact CG2-CZ2 4.31Å
238G86.3Confident90.4Very high0 Ų062.6 Ų62.60%030%0.301CS..EExtended strand (participates in β ladder)trans-144.3153.3178.900000112V244 F245G238-V244 CarbonylContact O-C 3.57Å; G238-V244 WeakPolarHBondContact O-CA 3.48Å; G238-F245 PolarHBondContact N-O 3.28Å; G238-F245 WeakPolarHBondContact O-CD1 3.4Å; G238-F245 PolarHBondContact O-N 3.04Å
239S85.6Confident90.6Very high29 Ų2959.5 Ų59.520%0.20328%0.282CS..EExtended strand (participates in β ladder)trans-107.8152.6168.961.80000110.5N217N217-S239 PolarHBondContact OD1-OG 3.24Å
240N79.8Confident90.8Very high68 Ų6855 Ų5536%0.36426%0.257SS..EExtended strand (participates in β ladder)trans-154-177.7164.366.946.9000109.3Y242 G243 F245N240-Y242 PolarHBondContact O-N 2.93Å; N240-Y242 WeakPolarHBondContact OD1-CA 3.21Å; N240-Y242 VanDerWaalsContact OD1-CB 3.27Å; N240-Y242 WeakPolarHBondContact OD1-CB 3.2Å; N240-Y242 PolarHBondContact OD1-N 3.11Å; N240-G243 PolarHBondContact N-O 2.8Å; N240-G243 VanDerWaalsContact N-O 3.08Å; N240-G243 PolarHBondContact O-N 3.09Å; N240-F245 HydrophobicContact CB-CE1 4.23Å; N240-F245 WeakPolarHBondContact ND2-CD1 3.26Å; N240-F245 WeakPolarHBondContact ND2-CE1 3.27Å
241R80.3Confident90.9Very high176 Ų17651.8 Ų51.866%0.66424%0.24SC*.THydrogen-bonded Turntrans-58.4-12.9179.973.6179.4-177.8-142.6-1.9116.2Y30Y30-R241 PolarHBondContact OH-NH2 2.83Å; Y30-R241 VanDerWaalsContact OH-NH2 3.08Å
242Y81.8Confident90.8Very high176 Ų17654.1 Ų54.169%0.6925%0.247SC*.THydrogen-bonded Turntrans-100.25175.8-55.5-75.3000112.8N240N240-Y242 PolarHBondContact O-N 2.93Å; N240-Y242 WeakPolarHBondContact OD1-CA 3.21Å; N240-Y242 VanDerWaalsContact OD1-CB 3.27Å; N240-Y242 WeakPolarHBondContact OD1-CB 3.2Å; N240-Y242 PolarHBondContact OD1-N 3.11Å
243G85.8Confident89.8Confident36 Ų3657.8 Ų57.837%0.37127%0.268SS..EExtended strand (participates in β ladder)trans106.8-168.8179.100000114.3N240N240-G243 PolarHBondContact N-O 2.8Å; N240-G243 VanDerWaalsContact N-O 3.08Å; N240-G243 PolarHBondContact O-N 3.09Å
244V90.1Very high89Confident32 Ų3260.9 Ų60.919%0.19429%0.293CS..EExtended strand (participates in β ladder)trans-80.8144.1179.3178.90000111P218 L220 V237 G238 L263 W266P218-V244 HydrophobicContact CG-CG2 4.19Å; L220-V244 HydrophobicContact CD2-CG1 4.35Å; L220-V244 HydrophobicContact CD2-CG2 4.19Å; V237-V244 HydrophobicContact CG1-CG1 3.75Å; G238-V244 CarbonylContact O-C 3.57Å; G238-V244 WeakPolarHBondContact O-CA 3.48Å; V244-L263 HydrophobicContact CB-CB 4.14Å; V244-L263 HydrophobicContact CB-CD2 4.07Å; V244-L263 HydrophobicContact CG1-CB 4.49Å; V244-L263 VanDerWaalsContact O-CB 3.31Å; V244-L263 WeakPolarHBondContact O-CB 3.37Å; V244-L263 PolarHBondContact O-N 3.15Å; V244-W266 HydrophobicContact CG1-CH2 3.91Å; V244-W266 HydrophobicContact CG1-CZ2 3.96Å
245F93.4Very high88.7Confident25 Ų2565 Ų6511%0.1131%0.309CS..EExtended strand (participates in β ladder)trans-146.6155179.566-90.9000112.1V54 V237 G238 N240 K247 T260 V261V54-F245 HydrophobicContact CG1-CE1 4.41Å; V54-F245 HydrophobicContact CG1-CZ 3.96Å; V237-F245 WeakPolarHBondContact CA-O 3.42Å; G238-F245 PolarHBondContact N-O 3.28Å; G238-F245 WeakPolarHBondContact O-CD1 3.4Å; G238-F245 PolarHBondContact O-N 3.04Å; N240-F245 HydrophobicContact CB-CE1 4.23Å; N240-F245 WeakPolarHBondContact ND2-CD1 3.26Å; N240-F245 WeakPolarHBondContact ND2-CE1 3.27Å; F245-K247 HydrophobicContact CD2-CB 4.49Å; F245-K247 HydrophobicContact CE2-CB 4.3Å; F245-T260 HydrophobicContact CB-CG2 3.91Å; F245-T260 HydrophobicContact CD2-CG2 3.52Å; F245-T260 HydrophobicContact CE2-CG2 4.21Å; F245-T260 HydrophobicContact CG-CG2 3.86Å; F245-V261 CarbonylContact C-O 3.35Å; F245-V261 WeakPolarHBondContact CA-O 3.03Å
246L95.1Very high88.5Confident33 Ų3368.2 Ų68.217%0.17332%0.32CS..EExtended strand (participates in β ladder)trans-106.9124.8174.7175.764.4000108.6F235 V237 I248 V261 W266F235-L246 HydrophobicContact CB-CD1 4.09Å; V237-L246 HydrophobicContact CG2-CD1 3.86Å; L246-I248 HydrophobicContact CD2-CD1 3.98Å; L246-I248 HydrophobicContact CD2-CG1 3.97Å; L246-I248 HydrophobicContact CG-CD1 4.42Å; L246-I248 HydrophobicContact CG-CG1 3.89Å; L246-V261 PolarHBondContact N-O 3.03Å; L246-V261 PolarHBondContact O-N 3Å; L246-W266 HydrophobicContact CB-CD2 4.39Å; L246-W266 HydrophobicContact CB-CZ2 3.62Å
247K96Very high88.6Confident27 Ų2772.6 Ų72.612%0.11734%0.344CS..EExtended strand (participates in β ladder)trans-101.5107.5176.7-176.2-175-175176.50109.2D236 F245 T258 I259D236-K247 HydrophobicContact CB-CB 4.28Å; D236-K247 PolarHBondContact N-O 3.08Å; D236-K247 WeakPolarHBondContact O-CB 3.2Å; D236-K247 PolarHBondContact O-N 3.13Å; F245-K247 HydrophobicContact CD2-CB 4.49Å; F245-K247 HydrophobicContact CE2-CB 4.3Å; K247-T258 HydrophobicContact CD-CG2 4.26Å; K247-T258 HydrophobicContact CG-CG2 3.58Å; K247-I259 WeakPolarHBondContact CA-O 3.48Å
248I95.7Very high88.7Confident24 Ų2474.5 Ų74.512%0.12336%0.355CS..EExtended strand (participates in β ladder)trans-97.3118.1177.9-52.5178.1000108Y234 F235 L246 T258 I259 V261 F269Y234-I248 CarbonylContact O-C 3.55Å; Y234-I248 WeakPolarHBondContact O-CA 3.49Å; F235-I248 HydrophobicContact CD1-CD1 4.3Å; F235-I248 HydrophobicContact CD1-CG1 3.95Å; F235-I248 HydrophobicContact CD1-CG2 4.28Å; F235-I248 HydrophobicContact CE1-CD1 4.1Å; F235-I248 HydrophobicContact CE1-CG1 4.1Å; F235-I248 HydrophobicContact CE1-CG2 3.86Å; F235-I248 HydrophobicContact CZ-CG2 4.2Å; L246-I248 HydrophobicContact CD2-CD1 3.98Å; L246-I248 HydrophobicContact CD2-CG1 3.97Å; L246-I248 HydrophobicContact CG-CD1 4.42Å; L246-I248 HydrophobicContact CG-CG1 3.89Å; I248-T258 VanDerWaalsContact O-CA 3.31Å; I248-T258 WeakPolarHBondContact O-CA 3.28Å; I248-I259 HydrophobicContact CB-CD1 4.35Å; I248-I259 HydrophobicContact CB-CG1 3.85Å; I248-I259 HydrophobicContact CD1-CD1 4.35Å; I248-I259 PolarHBondContact N-O 3.22Å; I248-I259 PolarHBondContact O-N 2.85Å; I248-V261 HydrophobicContact CD1-CG2 4.4Å; I248-F269 HydrophobicContact CD1-CE1 4.09Å; I248-F269 HydrophobicContact CD1-CZ 4.27Å
249S95.4Very high89.1Confident0 Ų078.7 Ų78.70%038%0.377CS..EExtended strand (participates in β ladder)trans-119.7116.1-177-50.20000111.8F233 Y234 R256 N257 T258F233-S249 WeakPolarHBondContact CA-O 3.29Å; Y234-S249 PolarHBondContact N-O 3.23Å; Y234-S249 PolarHBondContact O-N 2.71Å; S249-R256 PolarHBondContact OG-NH2 2.78Å; S249-N257 CarbonylContact C-O 3.55Å; S249-N257 WeakPolarHBondContact CA-O 3.47Å; S249-T258 WeakPolarHBondContact CB-OG1 3.35Å; S249-T258 PolarHBondContact OG-OG1 2.66Å
250E94.8Very high89.6Confident49 Ų4981.5 Ų81.523%0.22939%0.393CS..EExtended strand (participates in β ladder)trans-86.3125.8165.8-178.8-168.4164.200109.2K231 F233 R256 N257K231-E250 HydrophobicContact CD-CG 4.3Å; K231-E250 VanDerWaalsContact CD-OE1 3.22Å; K231-E250 WeakPolarHBondContact CD-OE1 3.43Å; K231-E250 WeakPolarHBondContact CE-OE1 3.49Å; K231-E250 IonicContact NZ-OE1 3.78Å; K231-E250 PolarHBondContact NZ-OE1 2.94Å; K231-E250 IonicContact NZ-OE2 2.66Å; F233-E250 HydrophobicContact CD1-CB 4.09Å; F233-E250 HydrophobicContact CD1-CG 4.33Å; F233-E250 HydrophobicContact CE1-CB 3.82Å; F233-E250 HydrophobicContact CE1-CG 3.72Å; F233-E250 HydrophobicContact CZ-CG 4.15Å; E250-R256 CarbonylContact O-C 3.56Å; E250-R256 WeakPolarHBondContact O-CA 3.48Å; E250-N257 HydrophobicContact CB-CB 4.38Å; E250-N257 PolarHBondContact N-O 2.94Å; E250-N257 PolarHBondContact O-N 2.82Å; E250-N257 VanDerWaalsContact O-O 3.12Å
251V92.4Very high90.4Very high33 Ų3378.9 Ų78.920%0.238%0.379CS..EExtended strand (participates in β ladder)trans-122.5118.6178.1-177.40000110.2K231 R232 Y234 R256K231-V251 WeakPolarHBondContact CA-O 3.46Å; R232-V251 PolarHBondContact N-O 3.48Å; R232-V251 PolarHBondContact O-N 3.46Å; Y234-V251 HydrophobicContact CD2-CG2 3.92Å; Y234-V251 HydrophobicContact CE2-CB 4.24Å; Y234-V251 HydrophobicContact CE2-CG2 3.74Å; V251-R256 HydrophobicContact CG2-CB 4.37Å; V251-R256 HydrophobicContact CG2-CG 4.02Å
252R92.1Very high91.1Very high128 Ų12873.4 Ų73.448%0.48337%0.366SS..EExtended strand (participates in β ladder)trans-135.7101.2169175.9-172.7177.9-127.51.2107.2K231 Y255K231-R252 HydrophobicContact CG-CB 4.37Å; R252-Y255 CarbonylContact C-O 3.57Å; R252-Y255 PolarHBondContact N-O 2.91Å; R252-Y255 CarbonylContact O-C 3.5Å; R252-Y255 WeakPolarHBondContact O-CA 3.37Å; R252-Y255 WeakPolarHBondContact O-CB 3.25Å; R252-Y255 PolarHBondContact O-N 2.8Å
253Q73Confident91.6Very high173 Ų17369.2 Ų69.281%0.80836%0.356SS*.THydrogen-bonded Turntrans-51136.4-173.4-70.2-175.5-8.900112.2
254P79.3Confident92Very high114 Ų11476.8 Ų76.874%0.7438%0.378SS*.THydrogen-bonded Turncis-80.8-4.71.534.4-38000115.1
255Y86.8Confident92.3Very high158 Ų15876.8 Ų76.862%0.6238%0.382SS*.EExtended strand (participates in β ladder)trans-84.7146.8-169.7-51.8-75.3000113.6R252R252-Y255 CarbonylContact C-O 3.57Å; R252-Y255 PolarHBondContact N-O 2.91Å; R252-Y255 CarbonylContact O-C 3.5Å; R252-Y255 WeakPolarHBondContact O-CA 3.37Å; R252-Y255 WeakPolarHBondContact O-CB 3.25Å; R252-Y255 PolarHBondContact O-N 2.8Å
256R92Very high92.4Very high123 Ų12379 Ų7946%0.46439%0.389SS..EExtended strand (participates in β ladder)trans-136.8117.5168.9172.7175.1-177.5159.610.8109.1S249 E250 V251 T258S249-R256 PolarHBondContact OG-NH2 2.78Å; E250-R256 CarbonylContact O-C 3.56Å; E250-R256 WeakPolarHBondContact O-CA 3.48Å; V251-R256 HydrophobicContact CG2-CB 4.37Å; V251-R256 HydrophobicContact CG2-CG 4.02Å; R256-T258 PolarHBondContact NE-OG1 2.79Å; R256-T258 VanDerWaalsContact NE-OG1 3.15Å
257N93.3Very high92.3Very high101 Ų10180.6 Ų80.654%0.5441%0.407SS..EExtended strand (participates in β ladder)trans-97.3145.6167.9-62.6-24.9000108.2S249 E250S249-N257 CarbonylContact C-O 3.55Å; S249-N257 WeakPolarHBondContact CA-O 3.47Å; E250-N257 HydrophobicContact CB-CB 4.38Å; E250-N257 PolarHBondContact N-O 2.94Å; E250-N257 PolarHBondContact O-N 2.82Å; E250-N257 VanDerWaalsContact O-O 3.12Å
258T93.6Very high92.3Very high59 Ų5988 Ų8836%0.36244%0.435SS..EExtended strand (participates in β ladder)trans-152.9132.8-178-62.70000110.3K247 I248 S249 R256K247-T258 HydrophobicContact CD-CG2 4.26Å; K247-T258 HydrophobicContact CG-CG2 3.58Å; I248-T258 VanDerWaalsContact O-CA 3.31Å; I248-T258 WeakPolarHBondContact O-CA 3.28Å; S249-T258 WeakPolarHBondContact CB-OG1 3.35Å; S249-T258 PolarHBondContact OG-OG1 2.66Å; R256-T258 PolarHBondContact NE-OG1 2.79Å; R256-T258 VanDerWaalsContact NE-OG1 3.15Å
259I95.9Very high92.4Very high88 Ų8891.6 Ų91.645%0.45145%0.45SS..EExtended strand (participates in β ladder)trans-115.1157.8170.362.8171.7000110.1K247 I248 V261 F269K247-I259 WeakPolarHBondContact CA-O 3.48Å; I248-I259 HydrophobicContact CB-CD1 4.35Å; I248-I259 HydrophobicContact CB-CG1 3.85Å; I248-I259 HydrophobicContact CD1-CD1 4.35Å; I248-I259 PolarHBondContact N-O 3.22Å; I248-I259 PolarHBondContact O-N 2.85Å; I259-V261 HydrophobicContact CD1-CG2 4.05Å; I259-V261 HydrophobicContact CG1-CG2 4.38Å; I259-F269 HydrophobicContact CD1-CE2 4.28Å; I259-F269 HydrophobicContact CD1-CZ 4.22Å
260T95.6Very high92.3Very high88 Ų8893 Ų9354%0.5446%0.464SS..EExtended strand (participates in β ladder)trans-124.1118175.7-62.70000108.3F245F245-T260 HydrophobicContact CB-CG2 3.91Å; F245-T260 HydrophobicContact CD2-CG2 3.52Å; F245-T260 HydrophobicContact CE2-CG2 4.21Å; F245-T260 HydrophobicContact CG-CG2 3.86Å
261V95.3Very high92.4Very high14 Ų1496.3 Ų96.39%0.08548%0.48CS..EExtended strand (participates in β ladder)trans-110115.8-177.7-1690000108.6F245 L246 I248 I259 A265 W266 F269F245-V261 CarbonylContact C-O 3.35Å; F245-V261 WeakPolarHBondContact CA-O 3.03Å; L246-V261 PolarHBondContact N-O 3.03Å; L246-V261 PolarHBondContact O-N 3Å; I248-V261 HydrophobicContact CD1-CG2 4.4Å; I259-V261 HydrophobicContact CD1-CG2 4.05Å; I259-V261 HydrophobicContact CG1-CG2 4.38Å; V261-A265 HydrophobicContact CG1-CB 3.98Å; V261-W266 PolarHBondContact O-NE1 3.18Å; V261-F269 HydrophobicContact CG1-CD2 4.37Å; V261-F269 HydrophobicContact CG2-CD2 4.37Å; V261-F269 HydrophobicContact CG2-CE2 4.34Å
262P95.3Very high92.6Very high60 Ų6098.1 Ų98.139%0.3949%0.488SS..EExtended strand (participates in β ladder)trans-68.9148.8179.130.2-35.3000110.9K264 A265P262-K264 HydrophobicContact CB-CG 4.28Å; P262-K264 HydrophobicContact CG-CG 4.27Å; P262-K264 PolarHBondContact O-N 3.16Å; P262-K264 VanDerWaalsContact O-N 3.09Å; P262-A265 HydrophobicContact CG-CB 4.23Å; P262-A265 WeakPolarHBondContact O-CB 3.45Å; P262-A265 PolarHBondContact O-N 2.9Å
263L92.4Very high92.7Very high89 Ų8998.7 Ų98.747%0.46649%0.494SS..G310 helixtrans-47.2-44.3-175.917761.1000113.4V244 A265 W266V244-L263 HydrophobicContact CB-CB 4.14Å; V244-L263 HydrophobicContact CB-CD2 4.07Å; V244-L263 HydrophobicContact CG1-CB 4.49Å; V244-L263 VanDerWaalsContact O-CB 3.31Å; V244-L263 WeakPolarHBondContact O-CB 3.37Å; V244-L263 PolarHBondContact O-N 3.15Å; L263-A265 PolarHBondContact O-N 2.87Å; L263-W266 HydrophobicContact CB-CZ2 4.48Å; L263-W266 HydrophobicContact CD1-CD2 3.65Å; L263-W266 HydrophobicContact CD1-CE3 3.47Å; L263-W266 VanDerWaalsContact CD1-CE3 3.47Å; L263-W266 HydrophobicContact CD1-CG 4.3Å; L263-W266 HydrophobicContact CD1-CH2 3.91Å; L263-W266 HydrophobicContact CD1-CZ2 4.08Å; L263-W266 HydrophobicContact CD1-CZ3 3.62Å; L263-W266 WeakPolarHBondContact O-CB 3.22Å; L263-W266 PolarHBondContact O-N 3.23Å
264K94.5Very high93.8Very high194 Ų19494.9 Ų94.984%0.84348%0.478SS*.G310 helixtrans-58.1-11.3177.767.3179179.7-178.90115.9P262P262-K264 HydrophobicContact CB-CG 4.28Å; P262-K264 HydrophobicContact CG-CG 4.27Å; P262-K264 PolarHBondContact O-N 3.16Å; P262-K264 VanDerWaalsContact O-N 3.09Å
265A96.3Very high94.6Very high33 Ų3396.2 Ų96.227%0.27347%0.469SS..G310 helixtrans-110.3-5.7178.400000113.7V261 P262 L263 A267 R268 F269V261-A265 HydrophobicContact CG1-CB 3.98Å; P262-A265 HydrophobicContact CG-CB 4.23Å; P262-A265 WeakPolarHBondContact O-CB 3.45Å; P262-A265 PolarHBondContact O-N 2.9Å; L263-A265 PolarHBondContact O-N 2.87Å; A265-A267 PolarHBondContact O-N 3.41Å; A265-R268 PolarHBondContact O-N 2.82Å; A265-F269 WeakPolarHBondContact O-CB 3.38Å; A265-F269 PolarHBondContact O-N 3.49Å
266W95.3Very high95.1Very high71 Ų7195 Ų9527%0.26946%0.464SS..Hα-helixtrans-62.9-45.5-174-68.68.3000112.8V237 V244 L246 V261 L263 R268 F269 G270V237-W266 HydrophobicContact CB-CH2 4.48Å; V237-W266 HydrophobicContact CG1-CH2 3.81Å; V237-W266 HydrophobicContact CG1-CZ2 4.3Å; V237-W266 HydrophobicContact CG2-CH2 3.76Å; V237-W266 HydrophobicContact CG2-CZ2 4.31Å; V244-W266 HydrophobicContact CG1-CH2 3.91Å; V244-W266 HydrophobicContact CG1-CZ2 3.96Å; L246-W266 HydrophobicContact CB-CD2 4.39Å; L246-W266 HydrophobicContact CB-CZ2 3.62Å; V261-W266 PolarHBondContact O-NE1 3.18Å; L263-W266 HydrophobicContact CB-CZ2 4.48Å; L263-W266 HydrophobicContact CD1-CD2 3.65Å; L263-W266 HydrophobicContact CD1-CE3 3.47Å; L263-W266 VanDerWaalsContact CD1-CE3 3.47Å; L263-W266 HydrophobicContact CD1-CG 4.3Å; L263-W266 HydrophobicContact CD1-CH2 3.91Å; L263-W266 HydrophobicContact CD1-CZ2 4.08Å; L263-W266 HydrophobicContact CD1-CZ3 3.62Å; L263-W266 WeakPolarHBondContact O-CB 3.22Å; L263-W266 PolarHBondContact O-N 3.23Å; W266-R268 PolarHBondContact O-N 2.88Å; W266-F269 WeakPolarHBondContact O-CB 3.12Å; W266-F269 PolarHBondContact O-N 2.79Å; W266-F269 VanDerWaalsContact O-N 3.12Å; W266-G270 PolarHBondContact O-N 3.44Å
267A94.6Very high95.2Very high67 Ų6793.5 Ų93.555%0.55446%0.462SS*.Hα-helixtrans-54.8-53.7178.300000111.1A265 F269 G270 E271A265-A267 PolarHBondContact O-N 3.41Å; A267-F269 VanDerWaalsContact C-N 3.29Å; A267-F269 PolarHBondContact O-N 2.99Å; A267-G270 PolarHBondContact O-N 2.89Å; A267-G270 VanDerWaalsContact O-N 3.13Å; A267-E271 WeakPolarHBondContact O-CB 3.48Å; A267-E271 VanDerWaalsContact O-CG 3.26Å; A267-E271 WeakPolarHBondContact O-CG 3.42Å; A267-E271 PolarHBondContact O-N 2.87Å
268R95.9Very high95.3Very high183 Ų18393.4 Ų93.469%0.69146%0.459SS*.Hα-helixtrans-59.8-35.8176.5-65.6-175.5-179.8-175.4-0.1113.3A265 W266 E271 N272A265-R268 PolarHBondContact O-N 2.82Å; W266-R268 PolarHBondContact O-N 2.88Å; R268-E271 WeakPolarHBondContact CA-OE2 3.42Å; R268-N272 PolarHBondContact O-N 2.83Å; R268-N272 PolarHBondContact O-ND2 2.84Å
269F96.4Very high95.3Very high99 Ų9994.2 Ų94.243%0.43446%0.458SS..Hα-helixtrans-67.2-43.8176.9-161.6-81.1000111.1I248 I259 V261 A265 W266 A267 F273I248-F269 HydrophobicContact CD1-CE1 4.09Å; I248-F269 HydrophobicContact CD1-CZ 4.27Å; I259-F269 HydrophobicContact CD1-CE2 4.28Å; I259-F269 HydrophobicContact CD1-CZ 4.22Å; V261-F269 HydrophobicContact CG1-CD2 4.37Å; V261-F269 HydrophobicContact CG2-CD2 4.37Å; V261-F269 HydrophobicContact CG2-CE2 4.34Å; A265-F269 WeakPolarHBondContact O-CB 3.38Å; A265-F269 PolarHBondContact O-N 3.49Å; W266-F269 WeakPolarHBondContact O-CB 3.12Å; W266-F269 PolarHBondContact O-N 2.79Å; W266-F269 VanDerWaalsContact O-N 3.12Å; A267-F269 VanDerWaalsContact C-N 3.29Å; A267-F269 PolarHBondContact O-N 2.99Å; F269-F273 WeakPolarHBondContact O-CB 3.37Å; F269-F273 PolarHBondContact O-N 3.22Å; F269-F273 VanDerWaalsContact O-N 3.11Å
270G94.1Very high95.2Very high30 Ų3094.5 Ų94.531%0.30946%0.459SS..Hα-helixtrans-65.6-47175.500000113.2W266 A267 N272 F273 I274W266-G270 PolarHBondContact O-N 3.44Å; A267-G270 PolarHBondContact O-N 2.89Å; A267-G270 VanDerWaalsContact O-N 3.13Å; G270-N272 PolarHBondContact O-N 3.2Å; G270-F273 WeakPolarHBondContact O-CB 3.48Å; G270-F273 PolarHBondContact O-N 3.11Å; G270-F273 VanDerWaalsContact O-N 3.08Å; G270-I274 WeakPolarHBondContact O-CG1 3.16Å; G270-I274 PolarHBondContact O-N 2.66Å
271E95.8Very high95.1Very high118 Ų11897.6 Ų97.655%0.55146%0.46SS*.Hα-helixtrans-54.2-48.3176.3-73.9159.7-164.800112A267 R268 F273 R275A267-E271 WeakPolarHBondContact O-CB 3.48Å; A267-E271 VanDerWaalsContact O-CG 3.26Å; A267-E271 WeakPolarHBondContact O-CG 3.42Å; A267-E271 PolarHBondContact O-N 2.87Å; R268-E271 WeakPolarHBondContact CA-OE2 3.42Å; E271-F273 VanDerWaalsContact C-N 3.35Å; E271-R275 WeakPolarHBondContact O-CB 3.28Å; E271-R275 PolarHBondContact O-N 3.2Å
272N97Very high94.9Very high70 Ų70104.4 Ų104.437%0.37449%0.485SS..Hα-helixtrans-65.3-39176.8-79.3-80.2000111.7R268 G270 R275 Y276R268-N272 PolarHBondContact O-N 2.83Å; R268-N272 PolarHBondContact O-ND2 2.84Å; G270-N272 PolarHBondContact O-N 3.2Å; N272-R275 PolarHBondContact O-N 3.3Å; N272-Y276 HydrophobicContact CB-CD2 4.43Å; N272-Y276 HydrophobicContact CB-CE2 4.26Å; N272-Y276 WeakPolarHBondContact O-CB 3.31Å; N272-Y276 WeakPolarHBondContact O-CD2 3.46Å; N272-Y276 PolarHBondContact O-N 2.89Å
273F95.6Very high94.7Very high141 Ų141105 Ų10562%0.61848%0.484SS*.Hα-helixtrans-63.6-47.6178.5-165.1-88.9000112.1F269 G270 E271 Y276 E277F269-F273 WeakPolarHBondContact O-CB 3.37Å; F269-F273 PolarHBondContact O-N 3.22Å; F269-F273 VanDerWaalsContact O-N 3.11Å; G270-F273 WeakPolarHBondContact O-CB 3.48Å; G270-F273 PolarHBondContact O-N 3.11Å; G270-F273 VanDerWaalsContact O-N 3.08Å; E271-F273 VanDerWaalsContact C-N 3.35Å; F273-Y276 PolarHBondContact O-N 3.02Å; F273-E277 WeakPolarHBondContact O-CB 3.29Å; F273-E277 PolarHBondContact O-N 2.88Å
274I95.9Very high94.3Very high92 Ų92107.3 Ų107.347%0.47249%0.491SS..Hα-helixtrans-60.5-48.7176.8-66164.9000110.3G270 Y276 E277 E278G270-I274 WeakPolarHBondContact O-CG1 3.16Å; G270-I274 PolarHBondContact O-N 2.66Å; I274-Y276 VanDerWaalsContact C-N 3.35Å; I274-Y276 PolarHBondContact O-N 3.46Å; I274-E277 WeakPolarHBondContact O-CB 3.37Å; I274-E277 PolarHBondContact O-N 2.83Å; I274-E277 VanDerWaalsContact O-N 3.13Å; I274-E278 WeakPolarHBondContact O-CG 3.29Å; I274-E278 PolarHBondContact O-N 2.89Å
275R96.1Very high93.7Very high143 Ų143101 Ų10154%0.5447%0.471SS..Hα-helixtrans-55-48.8177.3176-173.2162.1174.1-0.3111.8E271 N272 E277 E278 E279E271-R275 WeakPolarHBondContact O-CB 3.28Å; E271-R275 PolarHBondContact O-N 3.2Å; N272-R275 PolarHBondContact O-N 3.3Å; R275-E277 VanDerWaalsContact C-N 3.33Å; R275-E278 PolarHBondContact O-N 3.2Å; R275-E279 IonicContact NE-OE2 2.96Å; R275-E279 WeakPolarHBondContact O-CB 3.2Å; R275-E279 PolarHBondContact O-N 3.08Å
276Y96.4Very high92.5Very high131 Ų131102.1 Ų102.151%0.51448%0.476SS..Hα-helixtrans-69.1-31.4179.8-71.8-51.1000112.5N272 F273 I274 E279 M280N272-Y276 HydrophobicContact CB-CD2 4.43Å; N272-Y276 HydrophobicContact CB-CE2 4.26Å; N272-Y276 WeakPolarHBondContact O-CB 3.31Å; N272-Y276 WeakPolarHBondContact O-CD2 3.46Å; N272-Y276 PolarHBondContact O-N 2.89Å; F273-Y276 PolarHBondContact O-N 3.02Å; I274-Y276 VanDerWaalsContact C-N 3.35Å; I274-Y276 PolarHBondContact O-N 3.46Å; Y276-E279 PolarHBondContact O-N 3.08Å; Y276-M280 WeakPolarHBondContact O-CB 3.38Å; Y276-M280 WeakPolarHBondContact O-CG 3.34Å; Y276-M280 PolarHBondContact O-N 2.87Å
277E94.8Very high91.1Very high92 Ų92104.4 Ų104.443%0.4349%0.489SS..Hα-helixtrans-62.2-48.4172.4-161.7-154.7144.700111.3F273 I274 R275 E279 M280 R281F273-E277 WeakPolarHBondContact O-CB 3.29Å; F273-E277 PolarHBondContact O-N 2.88Å; I274-E277 WeakPolarHBondContact O-CB 3.37Å; I274-E277 PolarHBondContact O-N 2.83Å; I274-E277 VanDerWaalsContact O-N 3.13Å; R275-E277 VanDerWaalsContact C-N 3.33Å; E277-E279 PolarHBondContact O-N 3.4Å; E277-M280 PolarHBondContact O-N 2.96Å; E277-R281 VanDerWaalsContact O-CB 3.26Å; E277-R281 WeakPolarHBondContact O-CB 3.35Å; E277-R281 PolarHBondContact O-N 3.4Å; E277-R281 IonicContact OE1-CZ 3.38Å; E277-R281 IonicContact OE1-NE 3.85Å; E277-R281 IonicContact OE1-NH2 2.97Å; E277-R281 PolarHBondContact OE1-NH2 3.08Å
278E94.2Very high89.5Confident100 Ų100108.8 Ų108.847%0.46750%0.496SS..Hα-helixtrans-64.3-37.6177-69177.8176.200113.2I274 R275 R282I274-E278 WeakPolarHBondContact O-CG 3.29Å; I274-E278 PolarHBondContact O-N 2.89Å; R275-E278 PolarHBondContact O-N 3.2Å; E278-R282 WeakPolarHBondContact O-CG 3.3Å; E278-R282 PolarHBondContact O-N 3.5Å; E278-R282 VanDerWaalsContact O-N 3.07Å; E278-R282 PolarHBondContact O-NE 3.46Å; E278-R282 VanDerWaalsContact O-NE 3.13Å
279E94.8Very high87.8Confident76 Ų76105.7 Ų105.736%0.35549%0.489SS..Hα-helixtrans-67.2-47.8177.3-168.1168.2168.300110.6R275 Y276 E277 R281 R282 I283R275-E279 IonicContact NE-OE2 2.96Å; R275-E279 WeakPolarHBondContact O-CB 3.2Å; R275-E279 PolarHBondContact O-N 3.08Å; Y276-E279 PolarHBondContact O-N 3.08Å; E277-E279 PolarHBondContact O-N 3.4Å; E279-R281 PolarHBondContact O-N 2.85Å; E279-R282 PolarHBondContact O-N 3.44Å; E279-I283 HydrophobicContact CG-CD1 4.45Å; E279-I283 WeakPolarHBondContact O-CG1 3.22Å; E279-I283 PolarHBondContact O-N 2.81Å
280M93Very high85.9Confident93 Ų93107.1 Ų107.146%0.45850%0.495SS..Hα-helixtrans-63.4-39.7174.4-69.5-66.4-68.400112.1Y276 E277 R282 I283 F284Y276-M280 WeakPolarHBondContact O-CB 3.38Å; Y276-M280 WeakPolarHBondContact O-CG 3.34Å; Y276-M280 PolarHBondContact O-N 2.87Å; E277-M280 PolarHBondContact O-N 2.96Å; M280-R282 VanDerWaalsContact C-N 3.34Å; M280-R282 PolarHBondContact O-N 3.34Å; M280-I283 PolarHBondContact O-N 3.1Å; M280-I283 HydrophobicContact SD-CD1 4.26Å; M280-F284 HydrophobicContact CB-CD2 4.45Å; M280-F284 HydrophobicContact CB-CE2 4.28Å; M280-F284 HydrophobicContact CE-CE2 3.68Å; M280-F284 HydrophobicContact CE-CZ 3.85Å; M280-F284 WeakPolarHBondContact O-CD2 2.97Å; M280-F284 PolarHBondContact O-N 3.44Å
281R93Very high84.1Confident153 Ų153115.4 Ų115.458%0.57752%0.517SS*.Hα-helixtrans-59.4-43.9176-166.4-174.6-64.9-176.10.8111.3E277 E279 F284 S285E277-R281 VanDerWaalsContact O-CB 3.26Å; E277-R281 WeakPolarHBondContact O-CB 3.35Å; E277-R281 PolarHBondContact O-N 3.4Å; E277-R281 IonicContact OE1-CZ 3.38Å; E277-R281 IonicContact OE1-NE 3.85Å; E277-R281 IonicContact OE1-NH2 2.97Å; E277-R281 PolarHBondContact OE1-NH2 3.08Å; E279-R281 PolarHBondContact O-N 2.85Å; R281-F284 PolarHBondContact O-N 2.87Å; R281-S285 PolarHBondContact O-N 2.88Å; R281-S285 PolarHBondContact O-OG 3.19Å
282R91.1Very high82.2Confident157 Ų157114.4 Ų114.459%0.59252%0.52SS*.Hα-helixtrans-62-44.6174-79.1177.1-81.1-178.5-10.8112.4E278 E279 M280 F284 S285 C286E278-R282 WeakPolarHBondContact O-CG 3.3Å; E278-R282 PolarHBondContact O-N 3.5Å; E278-R282 VanDerWaalsContact O-N 3.07Å; E278-R282 PolarHBondContact O-NE 3.46Å; E278-R282 VanDerWaalsContact O-NE 3.13Å; E279-R282 PolarHBondContact O-N 3.44Å; M280-R282 VanDerWaalsContact C-N 3.34Å; M280-R282 PolarHBondContact O-N 3.34Å; R282-F284 PolarHBondContact O-N 2.84Å; R282-S285 PolarHBondContact O-N 3.35Å; R282-C286 PolarHBondContact O-N 2.95Å; R282-C286 VanDerWaalsContact O-N 3.07Å
283I91.4Very high80Confident74 Ų74118.4 Ų118.438%0.37954%0.536SS..Hα-helixtrans-59.1-47.6177-68165.4000110.6E279 M280 C286 H287E279-I283 HydrophobicContact CG-CD1 4.45Å; E279-I283 WeakPolarHBondContact O-CG1 3.22Å; E279-I283 PolarHBondContact O-N 2.81Å; M280-I283 PolarHBondContact O-N 3.1Å; M280-I283 HydrophobicContact SD-CD1 4.26Å; I283-C286 PolarHBondContact O-N 3.35Å; I283-H287 PolarHBondContact O-N 2.97Å; I283-H287 VanDerWaalsContact O-N 3.11Å; I283-H287 PolarHBondContact O-ND1 3.12Å
284F84.3Confident77.9Confident137 Ų137118.7 Ų118.760%0.60154%0.544SS*.Hα-helixtrans-66.4-38-179.9-73.3-59.4000113.4M280 R281 R282 H287 K288M280-F284 HydrophobicContact CB-CD2 4.45Å; M280-F284 HydrophobicContact CB-CE2 4.28Å; M280-F284 HydrophobicContact CE-CE2 3.68Å; M280-F284 HydrophobicContact CE-CZ 3.85Å; M280-F284 WeakPolarHBondContact O-CD2 2.97Å; M280-F284 PolarHBondContact O-N 3.44Å; R281-F284 PolarHBondContact O-N 2.87Å; R282-F284 PolarHBondContact O-N 2.84Å; F284-H287 PolarHBondContact O-N 3.27Å; F284-K288 PolarHBondContact O-N 3.45Å
285S82.1Confident75.5Confident61 Ų61128 Ų12843%0.42757%0.573SS.*Hα-helixtrans-62.9-47.9174.7-64.80000112R281 R282 H287 K288 E289R281-S285 PolarHBondContact O-N 2.88Å; R281-S285 PolarHBondContact O-OG 3.19Å; R282-S285 PolarHBondContact O-N 3.35Å; S285-H287 VanDerWaalsContact C-N 3.29Å; S285-H287 PolarHBondContact O-N 3.25Å; S285-K288 WeakPolarHBondContact O-CA 3.4Å; S285-K288 VanDerWaalsContact O-CB 3.31Å; S285-K288 WeakPolarHBondContact O-CB 3.49Å; S285-K288 PolarHBondContact O-N 2.72Å; S285-E289 PolarHBondContact O-N 2.96Å; S285-E289 VanDerWaalsContact O-N 3.08Å
286C71.1Confident74.5Confident56 Ų56127.3 Ų127.338%0.37858%0.575SS.*Hα-helixtrans-62.4-34.5179-176.90000112.7R282 I283 K288 K290R282-C286 PolarHBondContact O-N 2.95Å; R282-C286 VanDerWaalsContact O-N 3.07Å; I283-C286 PolarHBondContact O-N 3.35Å; C286-K288 VanDerWaalsContact C-N 3.29Å; C286-K288 PolarHBondContact O-N 3.47Å; C286-K290 PolarHBondContact O-N 3.07Å
287H65.3Low73.3Confident120 Ų120127.1 Ų127.156%0.55658%0.578SS**Hα-helixtrans-70.7-22.8173.3-7878.2000113.6I283 F284 S285 R291I283-H287 PolarHBondContact O-N 2.97Å; I283-H287 VanDerWaalsContact O-N 3.11Å; I283-H287 PolarHBondContact O-ND1 3.12Å; F284-H287 PolarHBondContact O-N 3.27Å; S285-H287 VanDerWaalsContact C-N 3.29Å; S285-H287 PolarHBondContact O-N 3.25Å; H287-R291 WeakPolarHBondContact O-CG 3.42Å
288K61.8Low72.1Confident158 Ų158129.1 Ų129.169%0.68759%0.586SS**Hα-helixtrans-78.2-43.6176.1-168.1-176.3177.5-170.90110.9F284 S285 C286 R291 T292F284-K288 PolarHBondContact O-N 3.45Å; S285-K288 WeakPolarHBondContact O-CA 3.4Å; S285-K288 VanDerWaalsContact O-CB 3.31Å; S285-K288 WeakPolarHBondContact O-CB 3.49Å; S285-K288 PolarHBondContact O-N 2.72Å; C286-K288 VanDerWaalsContact C-N 3.29Å; C286-K288 PolarHBondContact O-N 3.47Å; K288-R291 PolarHBondContact O-N 3.14Å; K288-T292 PolarHBondContact O-N 3.08Å; K288-T292 PolarHBondContact O-OG1 3.11Å
289E58.9Low70.8Confident118 Ų118130.8 Ų130.855%0.55159%0.593SS**Hα-helixtrans-61.9-48179.2-71.6162.1169.900111.7S285 R291 T292 E293S285-E289 PolarHBondContact O-N 2.96Å; S285-E289 VanDerWaalsContact O-N 3.08Å; E289-R291 VanDerWaalsContact C-N 3.27Å; E289-R291 PolarHBondContact O-N 3.41Å; E289-T292 WeakPolarHBondContact CA-OG1 3.44Å; E289-T292 PolarHBondContact O-N 3.11Å; E289-T292 PolarHBondContact O-OG1 3.41Å; E289-E293 PolarHBondContact O-N 3.41Å
290K58.1Low69.3Low130 Ų130134.2 Ų134.257%0.56561%0.608SS**Hα-helixtrans-58.4-35176.6-72.9-176.4173.7-174.80114C286 T292 E293 D294C286-K290 PolarHBondContact O-N 3.07Å; K290-T292 PolarHBondContact O-N 3.29Å; K290-E293 PolarHBondContact O-N 3.01Å; K290-D294 PolarHBondContact O-N 3.25Å
291R55.3Low67.7Low203 Ų203136.9 Ų136.977%0.76662%0.618SS**Hα-helixtrans-74.5-12.5176.4-74.3-172.6-176-168.22.8114.2H287 K288 E289H287-R291 WeakPolarHBondContact O-CG 3.42Å; K288-R291 PolarHBondContact O-N 3.14Å; E289-R291 VanDerWaalsContact C-N 3.27Å; E289-R291 PolarHBondContact O-N 3.41Å
292T56.2Low65.9Low98 Ų98135.8 Ų135.860%0.60162%0.621SS**Hα-helixtrans-98.6-14.2174.342.20000113.3K288 E289 K290K288-T292 PolarHBondContact O-N 3.08Å; K288-T292 PolarHBondContact O-OG1 3.11Å; E289-T292 WeakPolarHBondContact CA-OG1 3.44Å; E289-T292 PolarHBondContact O-N 3.11Å; E289-T292 PolarHBondContact O-OG1 3.41Å; K290-T292 PolarHBondContact O-N 3.29Å
293E51.5Low64Low153 Ų153134.2 Ų134.272%0.71562%0.623SS**Hα-helixtrans-87.7-30.7172.6-67.4177.614300112.4E289 K290 R295E289-E293 PolarHBondContact O-N 3.41Å; K290-E293 PolarHBondContact O-N 3.01Å; E293-R295 PolarHBondContact O-N 2.81Å; E293-R295 VanDerWaalsContact O-N 3.11Å
294D51.5Low61.7Low148 Ų148139.2 Ų139.279%0.79164%0.644SS**  trans-79.931.4174.6-72.3-30.9000113.4K290K290-D294 PolarHBondContact O-N 3.25Å
295R44.7Very low59.7Low288 Ų288139.4 Ų139.4100%1.08765%0.648SS**  trans-143.50-174.1-116.3-170.8176.8-160-2.6114.8E293E293-R295 PolarHBondContact O-N 2.81Å; E293-R295 VanDerWaalsContact O-N 3.11Å

Retrieved 295 of 295 residues in 108.1 ms (Link to these results)