G4VRE1_SCHMA Loading...

Putative mitochondrial import receptor subunit tom40

AlphaFold DB , UniProt , Accession G4VRE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.1Very low32.8Very low251 Ų251141.3 Ų141.3100%1.23685%0.851SS**  0101.20-86.1171.9164.700107.5
2G32.2Very low32.9Very low74 Ų74141.8 Ų141.876%0.76385%0.846SS**  trans-88.6130.7175.600000109.6
3N34Very low33.2Very low157 Ų157142.8 Ų142.884%0.8484%0.844SS**  trans-144.396.8154.7-96-13.4000105.8V5N3-V5 PolarHBondContact O-N 2.79Å
4A31.5Very low33.5Very low106 Ų106141.8 Ų141.888%0.87684%0.839SS**  trans-71.4113.3166.700000107.2
5V34.2Very low33.7Very low135 Ų135145.8 Ų145.882%0.81884%0.843SS**  trans-92.5116.8177.2-178.30000107.7N3N3-V5 PolarHBondContact O-N 2.79Å
6H31.1Very low33.8Very low183 Ų183142.7 Ų142.785%0.84784%0.839SS**  trans-55.4130.3179-100.2-81.5000112.1S8H6-S8 PolarHBondContact O-N 3.14Å
7A30.5Very low33.8Very low95 Ų95144.7 Ų144.779%0.78584%0.839SS**  trans-69.4115.2163.600000109.3
8S32.3Very low33.9Very low112 Ų112143.1 Ų143.178%0.78383%0.834SS**  trans-88.2108.3163.158.50000108.2H6H6-S8 PolarHBondContact O-N 3.14Å
9T31.3Very low34Very low130 Ų130144.9 Ų144.980%0.79883%0.834SS**PPolyproline II helixtrans-61.7132.4165.214.50000109.3K11T9-K11 PolarHBondContact O-N 3.24Å
10P34.4Very low34.1Very low120 Ų120143.7 Ų143.778%0.77983%0.831SS**PPolyproline II helixtrans-64.1130.3173.2-1.113.1000108.5D12P10-D12 PolarHBondContact O-N 3.39Å
11K32.4Very low34.2Very low191 Ų191143.3 Ų143.383%0.8383%0.831SS**PPolyproline II helixtrans-54.4133173.4-80.4174.4171176.60109.3T9 D13T9-K11 PolarHBondContact O-N 3.24Å; K11-D13 PolarHBondContact O-N 2.89Å
12D34Very low34.1Very low148 Ų148140.6 Ų140.679%0.79181%0.813SS**  trans-51.8105.8166.9-61.3-58.4000108.9P10 V14P10-D12 PolarHBondContact O-N 3.39Å; D12-V14 PolarHBondContact O-N 2.99Å
13D36.4Very low34.4Very low155 Ų155140.6 Ų140.683%0.82980%0.801SS**  trans-65.890.3164.2-79.7-33.8000106.3K11 F15K11-D13 PolarHBondContact O-N 2.89Å; D13-F15 PolarHBondContact O-N 2.74Å; D13-F15 VanDerWaalsContact O-N 3.08Å
14V38.2Very low34.6Very low128 Ų128141.5 Ų141.578%0.77680%0.8SS**  trans-48.6116.6170.7174.30000107D12 A16D12-V14 PolarHBondContact O-N 2.99Å; V14-A16 PolarHBondContact O-N 2.84Å
15F35.7Very low35.2Very low202 Ų202140.7 Ų140.789%0.88678%0.781SS**  trans-44.2101.3171-80.1-98.9000109.1D13 E17D13-F15 PolarHBondContact O-N 2.74Å; D13-F15 VanDerWaalsContact O-N 3.08Å; F15-E17 PolarHBondContact O-N 2.86Å
16A35.6Very low35.5Very low96 Ų96138.9 Ų138.979%0.79377%0.774SS**  trans-66.1106.6171.400000106.9V14V14-A16 PolarHBondContact O-N 2.84Å
17E33.7Very low36.2Very low177 Ų177134.5 Ų134.583%0.82776%0.762SS**PPolyproline II helixtrans-57.3126.5173.7-165.5160.2-171.600108.5F15 E19F15-E17 PolarHBondContact O-N 2.86Å; E17-E19 PolarHBondContact O-N 2.93Å
18P36.5Very low37.2Very low115 Ų115132.2 Ų132.275%0.74774%0.737SS**PPolyproline II helixtrans-61.7123.6-175.722.2-30.5000109.5
19E35.3Very low38.2Very low178 Ų178133.1 Ų133.183%0.83274%0.737SS**PPolyproline II helixtrans-51.8130.1174.6-68.9-171.7160.600109.3E17 T21E17-E19 PolarHBondContact O-N 2.93Å; E19-T21 PolarHBondContact O-N 3.34Å
20P36.4Very low39.7Very low120 Ų120135.6 Ų135.678%0.77974%0.74SS**  trans-59.3115.7178.922.6-30.8000107.7K22P20-K22 PolarHBondContact O-N 2.69Å
21T35.8Very low41.8Very low137 Ų137130.2 Ų130.284%0.8471%0.706SS**  trans-53.2109.6176.4-380000106.1E19 S23E19-T21 PolarHBondContact O-N 3.34Å; T21-S23 VanDerWaalsContact C-N 3.34Å; T21-S23 PolarHBondContact O-N 2.83Å
22K35.2Very low44.4Very low194 Ų194121.2 Ų121.284%0.84367%0.667SS**  trans-50.6103.4178.4-75.9176.9177.9171.50106.7P20 Q24P20-K22 PolarHBondContact O-N 2.69Å; K22-Q24 VanDerWaalsContact C-N 3.28Å; K22-Q24 PolarHBondContact O-N 3.05Å
23S38.9Very low47Very low74 Ų74115 Ų11552%0.51764%0.638SS.*  trans-60.6101.7174.845.70000105.3T21 D25T21-S23 VanDerWaalsContact C-N 3.34Å; T21-S23 PolarHBondContact O-N 2.83Å; S23-D25 PolarHBondContact O-N 2.82Å; S23-D25 VanDerWaalsContact O-N 3.08Å
24Q38.3Very low49.6Very low176 Ų176107.8 Ų107.882%0.82260%0.6SS**  trans-52.9122.4177-70.5-175.5-16.700105.4K22 S26K22-Q24 VanDerWaalsContact C-N 3.28Å; K22-Q24 PolarHBondContact O-N 3.05Å; Q24-S26 PolarHBondContact O-N 2.82Å
25D42.4Very low52.3Low89 Ų89102 Ų10248%0.47656%0.564SS.*  trans-52.682.9177-170.547.3000107S23 P27 R180S23-D25 PolarHBondContact O-N 2.82Å; S23-D25 VanDerWaalsContact O-N 3.08Å; D25-P27 WeakPolarHBondContact O-CD 3.04Å; D25-R180 IonicContact OD1-CZ 3.92Å; D25-R180 IonicContact OD1-NE 4Å; D25-R180 IonicContact OD1-NH2 2.97Å; D25-R180 PolarHBondContact OD1-NH2 2.92Å
26S41Very low54.7Low97 Ų9799 Ų9968%0.67855%0.553SS**  trans-71.8106.5-17348.90000105.1Q24 N28Q24-S26 PolarHBondContact O-N 2.82Å; S26-N28 PolarHBondContact O-N 2.85Å
27P47Very low57.3Low91 Ų9198.1 Ų98.159%0.59154%0.535SS*.  trans-59.6148.2178.127-31.6000107.2D25 V29D25-P27 WeakPolarHBondContact O-CD 3.04Å; P27-V29 HydrophobicContact CG-CG2 4.38Å; P27-V29 WeakPolarHBondContact O-CG2 3.2Å; P27-V29 PolarHBondContact O-N 2.75Å
28N49.5Very low60.2Low47 Ų4789.8 Ų89.825%0.25150%0.496SS..  trans-62.589.5172.7-165.1-24.4000108.7S26 E30 G31S26-N28 PolarHBondContact O-N 2.85Å; N28-E30 PolarHBondContact O-N 2.75Å; N28-E30 PolarHBondContact OD1-N 2.81Å; N28-G31 PolarHBondContact OD1-O 2.8Å
29V53.5Low63Low130 Ų13085.1 Ų85.179%0.78846%0.464SS*.THydrogen-bonded Turntrans-67.9-25.4-178.8179.30000110.1P27 G31P27-V29 HydrophobicContact CG-CG2 4.38Å; P27-V29 WeakPolarHBondContact O-CG2 3.2Å; P27-V29 PolarHBondContact O-N 2.75Å; V29-G31 VanDerWaalsContact C-N 3.25Å; V29-G31 PolarHBondContact O-N 2.88Å
30E64.5Low65.8Low183 Ų18379.6 Ų79.686%0.85544%0.44SS*.THydrogen-bonded Turntrans-81.23.5-172.5-66.5-179.8167.300114.4N28N28-E30 PolarHBondContact O-N 2.75Å; N28-E30 PolarHBondContact OD1-N 2.81Å
31G78.6Confident68.5Low7 Ų777.6 Ų77.67%0.07242%0.42CS..  trans73.8-179.2-177.700000112.9N28 V29 G33N28-G31 PolarHBondContact OD1-O 2.8Å; V29-G31 VanDerWaalsContact C-N 3.25Å; V29-G31 PolarHBondContact O-N 2.88Å; G31-G33 VanDerWaalsContact C-N 3.28Å; G31-G33 PolarHBondContact O-N 2.79Å
32P86.3Confident71.3Confident1 Ų171.1 Ų71.11%0.00638%0.38CS..  trans-72.5-17.4-170.428.4-34.9000114.1Q152 M174 Q176 A182 K208P32-Q152 HydrophobicContact CG-CB 4.06Å; P32-M174 HydrophobicContact CB-CB 4.32Å; P32-M174 HydrophobicContact CB-CG 3.73Å; P32-M174 HydrophobicContact CG-CB 4.49Å; P32-M174 HydrophobicContact CG-CG 4.42Å; P32-Q176 HydrophobicContact CB-CB 4.29Å; P32-A182 HydrophobicContact CB-CB 4.05Å; P32-K208 PolarHBondContact O-NZ 2.68Å
33G88.3Confident74.1Confident18 Ų1866.7 Ų66.719%0.18636%0.362CS..  trans76.1-164.2-170.300000111.9G31 Q152 M174G31-G33 VanDerWaalsContact C-N 3.28Å; G31-G33 PolarHBondContact O-N 2.79Å; G33-Q152 VanDerWaalsContact CA-OE1 3.24Å; G33-Q152 WeakPolarHBondContact O-CB 3.46Å; G33-Q152 PolarHBondContact O-OE1 2.86Å; G33-M174 WeakPolarHBondContact O-CB 3.21Å; G33-M174 WeakPolarHBondContact O-CG 3.38Å
34T92Very high76.8Confident4 Ų468 Ų683%0.02536%0.363CS..  trans-111.3160.3170.154.20000109.6E36 N37 I38 Q152 D172T34-E36 PolarHBondContact O-N 3.16Å; T34-N37 PolarHBondContact O-N 3.17Å; T34-N37 PolarHBondContact OG1-N 2.89Å; T34-N37 PolarHBondContact OG1-ND2 2.94Å; T34-I38 WeakPolarHBondContact O-CG2 3.5Å; T34-I38 PolarHBondContact O-N 2.79Å; T34-Q152 HydrophobicContact CG2-CG 4.17Å; T34-D172 WeakPolarHBondContact CA-OD1 3.25Å; T34-D172 WeakPolarHBondContact CB-OD1 3.33Å
35V93.1Very high79.4Confident5 Ų559.9 Ų59.93%0.0333%0.325CS..G310 helixtrans-56.8-37.8174.8177.60000110.7N37 I38 D172 M174 A186 T219V35-N37 VanDerWaalsContact C-N 3.27Å; V35-N37 PolarHBondContact O-N 3.13Å; V35-I38 WeakPolarHBondContact O-CG1 3.36Å; V35-D172 WeakPolarHBondContact CA-OD2 3.48Å; V35-D172 VanDerWaalsContact CB-OD2 3.25Å; V35-D172 WeakPolarHBondContact CB-OD2 3.48Å; V35-D172 PolarHBondContact N-OD1 2.87Å; V35-D172 VanDerWaalsContact N-OD1 3.1Å; V35-D172 PolarHBondContact N-OD2 2.93Å; V35-M174 HydrophobicContact CG2-SD 3.88Å; V35-A186 HydrophobicContact CB-CB 4.13Å; V35-A186 HydrophobicContact CG1-CB 4.35Å; V35-A186 HydrophobicContact CG2-CB 4.41Å; V35-T219 HydrophobicContact CG1-CG2 4.26Å
36E86.5Confident81.9Confident141 Ų14156.1 Ų56.166%0.65931%0.305SS*.G310 helixtrans-58.5-36.3175.7-171.6178.8-172.200113.3T34 D172T34-E36 PolarHBondContact O-N 3.16Å; E36-D172 PolarHBondContact N-OD2 2.83Å
37N91.4Very high84.5Confident76 Ų7651.9 Ų51.941%0.40628%0.275SS..G310 helixtrans-98.6-0.2-171-71.4-42.1000114.4T34 V35 H39 N40T34-N37 PolarHBondContact O-N 3.17Å; T34-N37 PolarHBondContact OG1-N 2.89Å; T34-N37 PolarHBondContact OG1-ND2 2.94Å; V35-N37 VanDerWaalsContact C-N 3.27Å; V35-N37 PolarHBondContact O-N 3.13Å; N37-H39 PolarHBondContact O-N 2.76Å; N37-N40 WeakPolarHBondContact CB-ND2 3.29Å; N37-N40 WeakPolarHBondContact O-CB 3.44Å; N37-N40 PolarHBondContact O-N 2.84Å; N37-N40 PolarHBondContact OD1-ND2 3.5Å
38I94.3Very high86.6Confident3 Ų353.1 Ų53.12%0.01528%0.28CS..THydrogen-bonded Turntrans-64.7-22.5-175.767.1-174.1000113.3T34 V35 M174 K208 A217 T219T34-I38 WeakPolarHBondContact O-CG2 3.5Å; T34-I38 PolarHBondContact O-N 2.79Å; V35-I38 WeakPolarHBondContact O-CG1 3.36Å; I38-M174 HydrophobicContact CG2-CE 3.75Å; I38-M174 HydrophobicContact CG2-SD 4.27Å; I38-K208 HydrophobicContact CB-CB 4.21Å; I38-K208 HydrophobicContact CB-CD 4.25Å; I38-K208 HydrophobicContact CG2-CB 4.11Å; I38-K208 HydrophobicContact CG2-CD 4.27Å; I38-A217 HydrophobicContact CB-CB 3.99Å; I38-A217 HydrophobicContact CD1-CB 4.06Å; I38-A217 HydrophobicContact CG1-CB 3.81Å; I38-T219 WeakPolarHBondContact CD1-OG1 3.23Å
39H95.1Very high88.4Confident16 Ų1652.4 Ų52.47%0.07428%0.278CS..THydrogen-bonded Turntrans-88-17.8-178.8-58.9-63.1000113.2N37 K41 A42 H43 T219 H228 S230N37-H39 PolarHBondContact O-N 2.76Å; H39-K41 PolarHBondContact O-N 2.96Å; H39-A42 PolarHBondContact O-N 3.12Å; H39-H43 PolarHBondContact O-N 2.77Å; H39-H43 VanDerWaalsContact O-N 3.09Å; H39-T219 WeakPolarHBondContact NE2-CB 3.45Å; H39-T219 PolarHBondContact NE2-OG1 3.23Å; H39-H228 AromaticContact CD2-CD2 3.73Å; H39-H228 AromaticContact CD2-NE2 3.82Å; H39-H228 AromaticContact CE1-CD2 3.25Å; H39-H228 PolarHBondContact CE1-CD2 2.81Å; H39-H228 AromaticContact CE1-CG 3.98Å; H39-H228 AromaticContact CE1-NE2 3.87Å; H39-H228 AromaticContact CG-CD2 3.59Å; H39-H228 AromaticContact CG-NE2 3.38Å; H39-H228 AromaticContact ND1-CD2 3.29Å; H39-H228 PolarHBondContact ND1-CD2 2.81Å; H39-H228 VanDerWaalsContact ND1-CD2 3.29Å; H39-H228 AromaticContact ND1-NE2 3.43Å; H39-H228 PolarHBondContact ND1-NE2 2.84Å; H39-H228 AromaticContact NE2-CD2 3.56Å; H39-H228 AromaticContact NE2-CG 3.88Å; H39-S230 WeakPolarHBondContact ND1-CB 3.31Å; H39-S230 PolarHBondContact ND1-OG 2.84Å
40N94.4Very high90.2Very high62 Ų6247.9 Ų47.933%0.33225%0.248SC..Hα-helixtrans-52.6-37.7-172.2-65.75.5000113.6N37 A42 H43 D44N37-N40 WeakPolarHBondContact CB-ND2 3.29Å; N37-N40 WeakPolarHBondContact O-CB 3.44Å; N37-N40 PolarHBondContact O-N 2.84Å; N37-N40 PolarHBondContact OD1-ND2 3.5Å; N40-A42 VanDerWaalsContact C-N 3.29Å; N40-A42 PolarHBondContact O-N 2.82Å; N40-H43 PolarHBondContact O-N 2.85Å; N40-D44 VanDerWaalsContact O-CB 3.32Å; N40-D44 WeakPolarHBondContact O-CB 3.45Å; N40-D44 PolarHBondContact O-N 2.77Å
41K92.6Very high91.4Very high79 Ų7943.5 Ų43.534%0.34323%0.228SC..Hα-helixtrans-62.3-35.2-179.1-165.5177.3-174.2-176.70113.2H39 Q215 H232H39-K41 PolarHBondContact O-N 2.96Å; K41-Q215 VanDerWaalsContact CB-NE2 3.29Å; K41-Q215 HydrophobicContact CD-CB 4.03Å; K41-Q215 HydrophobicContact CD-CG 4.46Å; K41-H232 WeakPolarHBondContact CE-ND1 3.39Å; K41-H232 HydrophobicContact CG-CB 4.37Å
42A94.3Very high92Very high1 Ų144.4 Ų44.41%0.00824%0.237CC..Hα-helixtrans-78.6-46.517400000109.8H39 N40 D44 I45 H232 A242 E244H39-A42 PolarHBondContact O-N 3.12Å; N40-A42 VanDerWaalsContact C-N 3.29Å; N40-A42 PolarHBondContact O-N 2.82Å; A42-D44 VanDerWaalsContact C-N 3.3Å; A42-D44 PolarHBondContact O-N 3.01Å; A42-I45 VanDerWaalsContact O-CB 3.3Å; A42-I45 WeakPolarHBondContact O-CB 3.38Å; A42-I45 WeakPolarHBondContact O-CG1 3.31Å; A42-I45 PolarHBondContact O-N 2.87Å; A42-I45 VanDerWaalsContact O-N 3.1Å; A42-H232 HydrophobicContact CB-CB 4.37Å; A42-A242 HydrophobicContact CB-CB 4.17Å; A42-A242 WeakPolarHBondContact O-CB 3.18Å; A42-E244 HydrophobicContact CB-CG 4.24Å
43H94.7Very high92.3Very high101 Ų10145.7 Ų45.747%0.46825%0.25SS..Hα-helixtrans-58-37.5-178.8-171.7-91.9000113.6H39 N40 I45 F46 E244H39-H43 PolarHBondContact O-N 2.77Å; H39-H43 VanDerWaalsContact O-N 3.09Å; N40-H43 PolarHBondContact O-N 2.85Å; H43-I45 PolarHBondContact O-N 3.42Å; H43-F46 WeakPolarHBondContact O-CB 3.24Å; H43-F46 PolarHBondContact O-N 2.75Å; H43-F46 VanDerWaalsContact O-N 3.07Å; H43-E244 WeakPolarHBondContact CA-OE1 3.48Å; H43-E244 WeakPolarHBondContact CB-OE1 3.3Å; H43-E244 IonicContact CD2-OE2 3.32Å; H43-E244 PolarHBondContact N-OE1 2.89Å
44D93.9Very high92.6Very high100 Ų10049.8 Ų49.854%0.53526%0.26SS..THydrogen-bonded Turntrans-68-15.8-179.5-71.8-19000113.7N40 A42 F46 K272N40-D44 VanDerWaalsContact O-CB 3.32Å; N40-D44 WeakPolarHBondContact O-CB 3.45Å; N40-D44 PolarHBondContact O-N 2.77Å; A42-D44 VanDerWaalsContact C-N 3.3Å; A42-D44 PolarHBondContact O-N 3.01Å; D44-F46 VanDerWaalsContact C-N 3.32Å; D44-K272 PolarHBondContact O-NZ 2.8Å
45I94.6Very high92.7Very high7 Ų752.8 Ų52.84%0.03628%0.276CS..THydrogen-bonded Turntrans-74-30.2173.8-56.7-50000110.9A42 H43 Q240 A242 K261 K272A42-I45 VanDerWaalsContact O-CB 3.3Å; A42-I45 WeakPolarHBondContact O-CB 3.38Å; A42-I45 WeakPolarHBondContact O-CG1 3.31Å; A42-I45 PolarHBondContact O-N 2.87Å; A42-I45 VanDerWaalsContact O-N 3.1Å; H43-I45 PolarHBondContact O-N 3.42Å; I45-Q240 HydrophobicContact CD1-CB 3.96Å; I45-A242 HydrophobicContact CB-CB 3.68Å; I45-A242 HydrophobicContact CG1-CB 3.91Å; I45-A242 HydrophobicContact CG2-CB 3.87Å; I45-K261 HydrophobicContact CD1-CB 4.34Å; I45-K261 HydrophobicContact CD1-CD 4.31Å; I45-K261 HydrophobicContact CG2-CB 3.72Å; I45-K272 WeakPolarHBondContact O-CD 3.48Å
46F95.2Very high92.7Very high10 Ų1052.9 Ų52.94%0.04428%0.276CS..SBendtrans-69.6145.6-179.2-63.5-42.6000111.8H43 D44 A242 E244 T257 Q274H43-F46 WeakPolarHBondContact O-CB 3.24Å; H43-F46 PolarHBondContact O-N 2.75Å; H43-F46 VanDerWaalsContact O-N 3.07Å; D44-F46 VanDerWaalsContact C-N 3.32Å; F46-A242 HydrophobicContact CE1-CB 3.89Å; F46-A242 HydrophobicContact CE2-CB 4.47Å; F46-A242 HydrophobicContact CZ-CB 3.79Å; F46-E244 HydrophobicContact CE2-CB 3.98Å; F46-E244 VanDerWaalsContact CE2-CD 3.43Å; F46-E244 HydrophobicContact CE2-CG 3.67Å; F46-E244 WeakPolarHBondContact CE2-OE2 3.31Å; F46-E244 HydrophobicContact CZ-CB 4.19Å; F46-E244 HydrophobicContact CZ-CG 4.12Å; F46-T257 HydrophobicContact CD1-CG2 4.22Å; F46-T257 HydrophobicContact CE1-CG2 3.89Å; F46-T257 HydrophobicContact CE2-CG2 4.39Å; F46-T257 HydrophobicContact CZ-CG2 3.99Å; F46-Q274 HydrophobicContact CD1-CB 3.89Å; F46-Q274 VanDerWaalsContact CG-OE1 3.31Å
47P94.1Very high93.1Very high7 Ų748.5 Ų48.55%0.04526%0.259CS..  trans-66.7144.8174.128.8-33.8000110.1P49 K272 Q274 A282 S284P47-P49 VanDerWaalsContact C-CD 3.46Å; P47-P49 WeakPolarHBondContact O-CD 3.35Å; P47-K272 HydrophobicContact CB-CB 3.98Å; P47-Q274 HydrophobicContact CG-CB 4.27Å; P47-Q274 HydrophobicContact CG-CG 3.75Å; P47-A282 HydrophobicContact CG-CB 3.96Å; P47-S284 WeakPolarHBondContact CB-OG 3.26Å
48V91.4Very high93.2Very high117 Ų11747.4 Ų47.471%0.70925%0.253SS*.  trans-103.284.2166.6-175.80000107
49P88.5Confident93.1Very high32 Ų3253.4 Ų53.421%0.20828%0.279CS..  trans-68.4151.7-176.131.6-38000110.9P47 A282 C299 M301P47-P49 VanDerWaalsContact C-CD 3.46Å; P47-P49 WeakPolarHBondContact O-CD 3.35Å; P49-A282 HydrophobicContact CB-CB 4.33Å; P49-A282 HydrophobicContact CG-CB 3.95Å; P49-C299 HydrophobicContact CB-CB 4.26Å; P49-M301 HydrophobicContact CB-CG 3.32Å; P49-M301 HydrophobicContact CB-SD 3.58Å; P49-M301 VanDerWaalsContact CB-SD 3.58Å; P49-M301 HydrophobicContact CG-CE 3.78Å; P49-M301 HydrophobicContact CG-CG 3.59Å; P49-M301 HydrophobicContact CG-SD 3.42Å; P49-M301 WeakPolarHBondContact CG-SD 3.25Å
50F89.9Confident93Very high36 Ų3655.4 Ų55.416%0.15830%0.304CS..  trans-135.2159.2170.862.8-90.7000109R54 C299 G312F50-R54 HydrophobicContact CD2-CB 4.06Å; F50-R54 HydrophobicContact CE2-CB 3.77Å; F50-R54 HydrophobicContact CZ-CB 4.31Å; F50-C299 HydrophobicContact CD1-CB 4.16Å; F50-C299 VanDerWaalsContact CD1-SG 3.53Å; F50-C299 HydrophobicContact CE1-CB 4.16Å; F50-C299 WeakPolarHBondContact CE1-SG 3.46Å; F50-G312 VanDerWaalsContact O-CA 3.29Å; F50-G312 WeakPolarHBondContact O-CA 3.39Å; F50-G312 PolarHBondContact O-N 2.86Å
51E89.8Confident92.9Very high91 Ų9157.4 Ų57.443%0.42532%0.315SS..  trans-110.5147.9178.7-179.4171.317200110.5S310E51-S310 VanDerWaalsContact CD-CB 3.5Å; E51-S310 VanDerWaalsContact OE2-CB 3.26Å; E51-S310 WeakPolarHBondContact OE2-CB 3.47Å
52G91.9Very high92.9Very high26 Ų2656.4 Ų56.427%0.26832%0.318SS..EExtended strand (participates in β ladder)trans79.7-153.9175.300000113.7L73 F311 G312 I313G52-L73 WeakPolarHBondContact CA-O 3.26Å; G52-F311 PolarHBondContact N-O 2.82Å; G52-G312 CarbonylContact O-C 3.55Å; G52-G312 VanDerWaalsContact O-CA 3.23Å; G52-G312 WeakPolarHBondContact O-CA 3.4Å; G52-I313 PolarHBondContact O-N 2.89Å
53G92.8Very high92.6Very high27 Ų2762.6 Ų62.628%0.27836%0.358SS..EExtended strand (participates in β ladder)trans-92.6133.9-178.700000111.8S72 L73 I313G53-S72 CarbonylContact O-C 3.53Å; G53-S72 WeakPolarHBondContact O-CA 3.4Å; G53-L73 PolarHBondContact N-O 2.78Å; G53-L73 PolarHBondContact O-N 2.99Å; G53-I313 CarbonylContact C-O 3.43Å; G53-I313 WeakPolarHBondContact CA-O 3.48Å
54R93Very high92.5Very high104 Ų10459.4 Ų59.439%0.39234%0.344SS..EExtended strand (participates in β ladder)trans-127.9128.8171.8-169.5177.6177.7-179-1.6111.1F50 V56 L71 I313 G314 L315F50-R54 HydrophobicContact CD2-CB 4.06Å; F50-R54 HydrophobicContact CE2-CB 3.77Å; F50-R54 HydrophobicContact CZ-CB 4.31Å; R54-V56 HydrophobicContact CG-CG2 4.05Å; R54-L71 CarbonylContact C-O 3.58Å; R54-L71 WeakPolarHBondContact CA-O 3.29Å; R54-I313 PolarHBondContact N-O 2.95Å; R54-G314 CarbonylContact O-C 3.55Å; R54-G314 WeakPolarHBondContact O-CA 3.4Å; R54-L315 PolarHBondContact O-N 3.08Å
55L94.5Very high92.5Very high68 Ų6858 Ų5836%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-123.2118.9172.1176.965.8000108.6V57 S70 L71 L315 V317L55-V57 HydrophobicContact CD1-CG2 4.41Å; L55-V57 HydrophobicContact CG-CG2 4.29Å; L55-S70 CarbonylContact O-C 3.53Å; L55-S70 WeakPolarHBondContact O-CA 3.37Å; L55-L71 HydrophobicContact CB-CB 4.34Å; L55-L71 PolarHBondContact N-O 3.22Å; L55-L71 PolarHBondContact O-N 2.81Å; L55-L315 CarbonylContact C-O 3.53Å; L55-L315 WeakPolarHBondContact CA-O 3.34Å; L55-L315 HydrophobicContact CD1-CB 4.1Å; L55-L315 HydrophobicContact CD1-CD2 4.18Å; L55-L315 HydrophobicContact CD1-CG 4.35Å; L55-V317 HydrophobicContact CD1-CG2 4.31Å
56V94.7Very high92.5Very high6 Ų662.4 Ų62.44%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-115.4127.2176.9-1780000108.4R54 N68 H69 L315 M316 V317R54-V56 HydrophobicContact CG-CG2 4.05Å; V56-N68 WeakPolarHBondContact CG1-OD1 3.45Å; V56-H69 CarbonylContact C-O 3.59Å; V56-H69 VanDerWaalsContact CA-O 3.31Å; V56-H69 WeakPolarHBondContact CA-O 3.18Å; V56-L315 PolarHBondContact N-O 2.9Å; V56-M316 HydrophobicContact CB-CB 4.29Å; V56-M316 HydrophobicContact CB-CG 4.08Å; V56-M316 HydrophobicContact CG1-CE 4.39Å; V56-M316 HydrophobicContact CG1-CG 4.18Å; V56-M316 CarbonylContact O-C 3.53Å; V56-M316 VanDerWaalsContact O-CA 3.25Å; V56-M316 WeakPolarHBondContact O-CA 3.42Å; V56-V317 PolarHBondContact O-N 2.94Å
57V94.5Very high92.6Very high49 Ų4962.5 Ų62.530%0.29736%0.355SS..EExtended strand (participates in β ladder)trans-122.4109.6175.2-174.80000108.5L55 N68 H69 V317L55-V57 HydrophobicContact CD1-CG2 4.41Å; L55-V57 HydrophobicContact CG-CG2 4.29Å; V57-N68 CarbonylContact O-C 3.51Å; V57-N68 WeakPolarHBondContact O-CA 3.13Å; V57-H69 HydrophobicContact CB-CB 4.18Å; V57-H69 PolarHBondContact N-O 2.79Å; V57-H69 PolarHBondContact O-N 2.91Å; V57-V317 CarbonylContact C-O 3.55Å; V57-V317 VanDerWaalsContact CA-O 3.29Å; V57-V317 WeakPolarHBondContact CA-O 3.18Å; V57-V317 HydrophobicContact CG1-CB 4.35Å; V57-V317 HydrophobicContact CG2-CB 4.24Å; V57-V317 HydrophobicContact CG2-CG2 4.37Å
58N92.8Very high92.7Very high54 Ų5464.9 Ų64.929%0.28937%0.367SS..EExtended strand (participates in β ladder)trans-99.8127.7175.8-69.2-44.2000109.3N68 V317 G318N58-N68 VanDerWaalsContact OD1-CB 3.31Å; N58-N68 WeakPolarHBondContact OD1-CB 3.38Å; N58-N68 PolarHBondContact OD1-ND2 2.88Å; N58-N68 PolarHBondContact OD1-OD1 2.87Å; N58-V317 PolarHBondContact N-O 3.3Å; N58-G318 WeakPolarHBondContact O-CA 3.33Å
59K93.3Very high92.9Very high128 Ų12862.4 Ų62.456%0.55735%0.348SS*.EExtended strand (participates in β ladder)trans-134.8115.2178-169.9176.2-179.1176.70110.4L61 V67K59-L61 HydrophobicContact CD-CD2 3.91Å; K59-L61 HydrophobicContact CG-CD2 4Å; K59-L61 PolarHBondContact O-N 3.22Å; K59-V67 PolarHBondContact N-O 3.42Å; K59-V67 PolarHBondContact O-N 2.82Å
60G91.8Very high93.1Very high59 Ų5961.3 Ų61.361%0.60834%0.341SS*.EExtended strand (participates in β ladder)trans-71.8117.6164.900000109.8
61L92.5Very high93.4Very high104 Ų10462.5 Ų62.555%0.54535%0.349SS..EExtended strand (participates in β ladder)trans-89.4-27172.9-54.8-176.2000111.5K59 F65 V67K59-L61 HydrophobicContact CD-CD2 3.91Å; K59-L61 HydrophobicContact CG-CD2 4Å; K59-L61 PolarHBondContact O-N 3.22Å; L61-F65 HydrophobicContact CB-CD1 4.02Å; L61-F65 HydrophobicContact CD1-CD1 3.86Å; L61-F65 HydrophobicContact CD1-CE1 3.74Å; L61-F65 HydrophobicContact CG-CD1 4.15Å; L61-F65 HydrophobicContact CG-CE1 4.46Å; L61-F65 PolarHBondContact N-O 3.19Å; L61-V67 HydrophobicContact CD1-CG2 3.74Å; L61-V67 HydrophobicContact CG-CG2 4.07Å
62S92.3Very high93.5Very high58 Ų5859.7 Ų59.741%0.40634%0.339SS..EExtended strand (participates in β ladder)trans-148.6168.9170.777.80000109.5N64 F65S62-N64 PolarHBondContact O-N 2.95Å; S62-N64 PolarHBondContact OG-N 3.46Å; S62-F65 PolarHBondContact N-O 3.16Å; S62-F65 VanDerWaalsContact N-O 3.14Å; S62-F65 PolarHBondContact O-N 3.47Å; S62-F65 VanDerWaalsContact O-N 3.11Å; S62-F65 VanDerWaalsContact O-O 3.07Å; S62-F65 VanDerWaalsContact OG-CB 3.26Å; S62-F65 WeakPolarHBondContact OG-CB 3.4Å; S62-F65 PolarHBondContact OG-N 3.44Å; S62-F65 VanDerWaalsContact OG-N 3.11Å
63P88Confident93.4Very high131 Ų13163.5 Ų63.585%0.85135%0.353SS*.THydrogen-bonded Turntrans-56.4-22175.5-25.535.4000114.1
64N92.5Very high93Very high34 Ų3464.1 Ų64.118%0.18235%0.35CS..THydrogen-bonded Turntrans-109.9-3.1-176.2-66.998.4000112.7S62 Y87 V88 H90S62-N64 PolarHBondContact O-N 2.95Å; S62-N64 PolarHBondContact OG-N 3.46Å; N64-Y87 HydrophobicContact CB-CD2 4.42Å; N64-Y87 HydrophobicContact CB-CE2 4.11Å; N64-Y87 CarbonylContact O-C 3.48Å; N64-Y87 VanDerWaalsContact O-CA 3.25Å; N64-Y87 WeakPolarHBondContact O-CA 3.38Å; N64-Y87 VanDerWaalsContact O-CD2 3.28Å; N64-Y87 WeakPolarHBondContact O-CD2 3.44Å; N64-V88 WeakPolarHBondContact CB-O 3.04Å; N64-V88 PolarHBondContact ND2-O 3.29Å; N64-V88 PolarHBondContact O-N 2.84Å; N64-H90 PolarHBondContact OD1-CE1 2.98Å; N64-H90 VanDerWaalsContact OD1-CE1 3.27Å
65F95.4Very high92.3Very high70 Ų7064 Ų6431%0.30737%0.365SS..EExtended strand (participates in β ladder)trans-139.6119-172.8-168.2-92.6000111.7L61 S62 V67 V85 T86 Y87L61-F65 HydrophobicContact CB-CD1 4.02Å; L61-F65 HydrophobicContact CD1-CD1 3.86Å; L61-F65 HydrophobicContact CD1-CE1 3.74Å; L61-F65 HydrophobicContact CG-CD1 4.15Å; L61-F65 HydrophobicContact CG-CE1 4.46Å; L61-F65 PolarHBondContact N-O 3.19Å; S62-F65 PolarHBondContact N-O 3.16Å; S62-F65 VanDerWaalsContact N-O 3.14Å; S62-F65 PolarHBondContact O-N 3.47Å; S62-F65 VanDerWaalsContact O-N 3.11Å; S62-F65 VanDerWaalsContact O-O 3.07Å; S62-F65 VanDerWaalsContact OG-CB 3.26Å; S62-F65 WeakPolarHBondContact OG-CB 3.4Å; S62-F65 PolarHBondContact OG-N 3.44Å; S62-F65 VanDerWaalsContact OG-N 3.11Å; F65-V67 HydrophobicContact CD1-CG2 4.09Å; F65-V67 HydrophobicContact CE1-CG2 3.47Å; F65-V67 VanDerWaalsContact CE1-CG2 3.47Å; F65-V67 HydrophobicContact CZ-CG2 4.32Å; F65-V85 HydrophobicContact CD2-CG1 4.22Å; F65-V85 HydrophobicContact CE1-CG1 4.08Å; F65-V85 HydrophobicContact CE2-CG1 3.28Å; F65-V85 HydrophobicContact CZ-CG1 3.22Å; F65-T86 WeakPolarHBondContact CA-O 3.31Å; F65-Y87 HydrophobicContact CD2-CD2 4.29Å
66Q94.8Very high91.4Very high100 Ų10065.1 Ų65.147%0.46737%0.371SS..EExtended strand (participates in β ladder)trans-122.5147.117762.6177.512.300111T86Q66-T86 VanDerWaalsContact CG-CB 3.48Å; Q66-T86 HydrophobicContact CG-CG2 4.36Å; Q66-T86 PolarHBondContact N-O 3.01Å; Q66-T86 PolarHBondContact NE2-OG1 2.82Å; Q66-T86 VanDerWaalsContact NE2-OG1 3.16Å; Q66-T86 PolarHBondContact O-N 2.91Å
67V96.3Very high90.3Very high12 Ų1274.4 Ų74.47%0.07341%0.414CS..EExtended strand (participates in β ladder)trans-121.6138.4176.5179.50000108.5K59 L61 F65 H69 F83 G84K59-V67 PolarHBondContact N-O 3.42Å; K59-V67 PolarHBondContact O-N 2.82Å; L61-V67 HydrophobicContact CD1-CG2 3.74Å; L61-V67 HydrophobicContact CG-CG2 4.07Å; F65-V67 HydrophobicContact CD1-CG2 4.09Å; F65-V67 HydrophobicContact CE1-CG2 3.47Å; F65-V67 VanDerWaalsContact CE1-CG2 3.47Å; F65-V67 HydrophobicContact CZ-CG2 4.32Å; V67-H69 WeakPolarHBondContact CG1-NE2 3.29Å; V67-F83 HydrophobicContact CG1-CD2 4.12Å; V67-F83 HydrophobicContact CG1-CE2 3.23Å; V67-F83 HydrophobicContact CG1-CZ 3.7Å; V67-G84 CarbonylContact C-O 3.54Å; V67-G84 WeakPolarHBondContact CA-O 3.27Å
68N95.2Very high89.4Confident56 Ų5679.7 Ų79.730%0.29944%0.436SS..EExtended strand (participates in β ladder)trans-124.7126178.9-179-1.3000109.4V56 V57 N58 G84V56-N68 WeakPolarHBondContact CG1-OD1 3.45Å; V57-N68 CarbonylContact O-C 3.51Å; V57-N68 WeakPolarHBondContact O-CA 3.13Å; N58-N68 VanDerWaalsContact OD1-CB 3.31Å; N58-N68 WeakPolarHBondContact OD1-CB 3.38Å; N58-N68 PolarHBondContact OD1-ND2 2.88Å; N58-N68 PolarHBondContact OD1-OD1 2.87Å; N68-G84 PolarHBondContact N-O 2.83Å; N68-G84 PolarHBondContact O-N 2.83Å
69H95.7Very high89Confident65 Ų6579 Ų7930%0.30144%0.435SS..EExtended strand (participates in β ladder)trans-109.8113.9171.6-60.7-94.8000108.3V56 V57 V67 Y81 F83V56-H69 CarbonylContact C-O 3.59Å; V56-H69 VanDerWaalsContact CA-O 3.31Å; V56-H69 WeakPolarHBondContact CA-O 3.18Å; V57-H69 HydrophobicContact CB-CB 4.18Å; V57-H69 PolarHBondContact N-O 2.79Å; V57-H69 PolarHBondContact O-N 2.91Å; V67-H69 WeakPolarHBondContact CG1-NE2 3.29Å; H69-Y81 HydrophobicContact CB-CE2 3.97Å; H69-Y81 PolarHBondContact CE1-OH 3.01Å; H69-Y81 AromaticContact ND1-CE2 3.71Å; H69-Y81 AromaticContact ND1-CZ 3.6Å; H69-Y81 PolarHBondContact ND1-OH 2.74Å; H69-F83 AromaticContact CE1-CD2 3.67Å; H69-F83 AromaticContact CE1-CE2 3.52Å; H69-F83 AromaticContact ND1-CD2 3.75Å; H69-F83 AromaticContact NE2-CE2 3.96Å
70S94.3Very high88.9Confident10 Ų1073.8 Ų73.87%0.0742%0.418CS..EExtended strand (participates in β ladder)trans-118.5110.9177.9-178.40000109.9L55 R82L55-S70 CarbonylContact O-C 3.53Å; L55-S70 WeakPolarHBondContact O-CA 3.37Å; S70-R82 PolarHBondContact N-O 2.85Å; S70-R82 WeakPolarHBondContact O-CB 3.1Å; S70-R82 PolarHBondContact O-N 3.08Å
71L94.4Very high89Confident60 Ų6076.2 Ų76.231%0.31441%0.41SS..EExtended strand (participates in β ladder)trans-98.5121.8170.7177.466.7000108.9R54 L55 L73R54-L71 CarbonylContact C-O 3.58Å; R54-L71 WeakPolarHBondContact CA-O 3.29Å; L55-L71 HydrophobicContact CB-CB 4.34Å; L55-L71 PolarHBondContact N-O 3.22Å; L55-L71 PolarHBondContact O-N 2.81Å; L71-L73 HydrophobicContact CD1-CD2 4.26Å; L71-L73 HydrophobicContact CG-CD2 4.37Å; L71-L73 HydrophobicContact CG-CG 4.34Å
72S92.3Very high89.1Confident33 Ų3375.6 Ų75.623%0.23140%0.4CS..EExtended strand (participates in β ladder)trans-112.7132.9172.1-62.30000109.2G53 S79 G80G53-S72 CarbonylContact O-C 3.53Å; G53-S72 WeakPolarHBondContact O-CA 3.4Å; S72-S79 PolarHBondContact O-OG 3.1Å; S72-G80 PolarHBondContact N-O 2.82Å; S72-G80 PolarHBondContact O-N 2.9Å
73L90.7Very high89.3Confident105 Ų10576.1 Ų76.155%0.5540%0.395SS..EExtended strand (participates in β ladder)trans-120.384.5179.2-62.3174.3000108G52 G53 L71G52-L73 WeakPolarHBondContact CA-O 3.26Å; G53-L73 PolarHBondContact N-O 2.78Å; G53-L73 PolarHBondContact O-N 2.99Å; L71-L73 HydrophobicContact CD1-CD2 4.26Å; L71-L73 HydrophobicContact CG-CD2 4.37Å; L71-L73 HydrophobicContact CG-CG 4.34Å
74N84.2Confident89.7Confident40 Ų4070.3 Ų70.321%0.21436%0.36CS..  trans-126.5174.3174.359.6-6.8000110.6D76 S79N74-D76 VanDerWaalsContact C-N 3.29Å; N74-S79 PolarHBondContact N-OG 3.17Å; N74-S79 VanDerWaalsContact N-OG 3.14Å; N74-S79 WeakPolarHBondContact O-CB 3.36Å; N74-S79 PolarHBondContact O-OG 3.21Å; N74-S79 WeakPolarHBondContact OD1-CA 3.44Å; N74-S79 WeakPolarHBondContact OD1-CB 3.4Å; N74-S79 PolarHBondContact OD1-N 3.17Å; N74-S79 VanDerWaalsContact OD1-N 3.12Å; N74-S79 PolarHBondContact OD1-OG 3.23Å
75S77.7Confident90Very high102 Ų10270.3 Ų70.371%0.71336%0.36SS*.SBendtrans-78-12.5178.149.90000114
76D76Confident90Very high92 Ų9268 Ų6849%0.49235%0.352SS..SBendtrans-83.5163.1-173.9-59.2-29.7000112.1N74 Q78 S79N74-D76 VanDerWaalsContact C-N 3.29Å; D76-Q78 PolarHBondContact O-N 2.77Å; D76-S79 WeakPolarHBondContact O-CB 3.28Å; D76-S79 PolarHBondContact O-N 3.4Å
77E71.8Confident90.1Very high201 Ų20166.8 Ų66.894%0.93934%0.344SS*.THydrogen-bonded Turntrans-61.8-13.2175.8-62.8-169.3159.900113.8S79E77-S79 PolarHBondContact O-N 2.92Å
78Q74.8Confident90Very high159 Ų15968.3 Ų68.374%0.74335%0.353SS*.THydrogen-bonded Turntrans-82.2-1.4174.7-62.2-168.3-2.900113.5D76D76-Q78 PolarHBondContact O-N 2.77Å
79S84.3Confident89.9Confident39 Ų3965.7 Ų65.727%0.27334%0.339SS..  trans-63.7141.4174.1-158.50000110.8S72 N74 D76 E77 P108S72-S79 PolarHBondContact O-OG 3.1Å; N74-S79 PolarHBondContact N-OG 3.17Å; N74-S79 VanDerWaalsContact N-OG 3.14Å; N74-S79 WeakPolarHBondContact O-CB 3.36Å; N74-S79 PolarHBondContact O-OG 3.21Å; N74-S79 WeakPolarHBondContact OD1-CA 3.44Å; N74-S79 WeakPolarHBondContact OD1-CB 3.4Å; N74-S79 PolarHBondContact OD1-N 3.17Å; N74-S79 VanDerWaalsContact OD1-N 3.12Å; N74-S79 PolarHBondContact OD1-OG 3.23Å; D76-S79 WeakPolarHBondContact O-CB 3.28Å; D76-S79 PolarHBondContact O-N 3.4Å; E77-S79 PolarHBondContact O-N 2.92Å; S79-P108 WeakPolarHBondContact O-CB 3.4Å
80G92.5Very high89.5Confident20 Ų2069 Ų6921%0.20636%0.355CS..EExtended strand (participates in β ladder)trans127.4-163.9174.600000113.1S72S72-G80 PolarHBondContact N-O 2.82Å; S72-G80 PolarHBondContact O-N 2.9Å
81Y94Very high89.2Confident109 Ų10973.1 Ų73.143%0.42738%0.376SS..EExtended strand (participates in β ladder)trans-96.5127.7-171171.1-99.5000111.4H69 F83H69-Y81 HydrophobicContact CB-CE2 3.97Å; H69-Y81 PolarHBondContact CE1-OH 3.01Å; H69-Y81 AromaticContact ND1-CE2 3.71Å; H69-Y81 AromaticContact ND1-CZ 3.6Å; H69-Y81 PolarHBondContact ND1-OH 2.74Å; Y81-F83 HydrophobicContact CE1-CB 3.81Å; Y81-F83 VanDerWaalsContact OH-CD2 3.31Å; Y81-F83 WeakPolarHBondContact OH-CD2 3.38Å
82R94.5Very high88.7Confident92 Ų9277.5 Ų77.535%0.34739%0.392SS..EExtended strand (participates in β ladder)trans-114.4131.4175.8-170.7-176.2-131.9-164.1-6.4109.1S70 E105 L106S70-R82 PolarHBondContact N-O 2.85Å; S70-R82 WeakPolarHBondContact O-CB 3.1Å; S70-R82 PolarHBondContact O-N 3.08Å; R82-E105 VanDerWaalsContact CD-CD 3.43Å; R82-E105 WeakPolarHBondContact CD-OE2 3.39Å; R82-E105 HydrophobicContact CG-CG 3.74Å; R82-E105 IonicContact CZ-OE1 2.81Å; R82-E105 IonicContact CZ-OE2 2.88Å; R82-E105 IonicContact NE-OE1 2.74Å; R82-E105 PolarHBondContact NE-OE1 3.32Å; R82-E105 IonicContact NE-OE2 3.01Å; R82-E105 PolarHBondContact NE-OE2 3.2Å; R82-E105 IonicContact NH1-OE1 3.77Å; R82-E105 IonicContact NH1-OE2 3.08Å; R82-E105 PolarHBondContact NH1-OE2 3.07Å; R82-E105 VanDerWaalsContact NH1-OE2 3.08Å; R82-E105 VanDerWaalsContact NH2-CD 3.28Å; R82-E105 IonicContact NH2-OE1 2.87Å; R82-E105 PolarHBondContact NH2-OE1 3.21Å; R82-E105 IonicContact NH2-OE2 2.58Å; R82-E105 PolarHBondContact NH2-OE2 3.19Å; R82-L106 VanDerWaalsContact CA-O 3.27Å; R82-L106 WeakPolarHBondContact CA-O 3.32Å; R82-L106 VanDerWaalsContact CG-O 3.31Å; R82-L106 WeakPolarHBondContact CG-O 3.39Å
83F96Very high88.3Confident68 Ų6878.4 Ų78.430%0.29840%0.396SS..EExtended strand (participates in β ladder)trans-115.6116.9178.2179.4-108.2000109.8V67 H69 Y81 V85 E105 L106V67-F83 HydrophobicContact CG1-CD2 4.12Å; V67-F83 HydrophobicContact CG1-CE2 3.23Å; V67-F83 HydrophobicContact CG1-CZ 3.7Å; H69-F83 AromaticContact CE1-CD2 3.67Å; H69-F83 AromaticContact CE1-CE2 3.52Å; H69-F83 AromaticContact ND1-CD2 3.75Å; H69-F83 AromaticContact NE2-CE2 3.96Å; Y81-F83 HydrophobicContact CE1-CB 3.81Å; Y81-F83 VanDerWaalsContact OH-CD2 3.31Å; Y81-F83 WeakPolarHBondContact OH-CD2 3.38Å; F83-V85 HydrophobicContact CD1-CG2 4.2Å; F83-V85 HydrophobicContact CE1-CG2 3.41Å; F83-V85 VanDerWaalsContact CE1-CG2 3.41Å; F83-V85 HydrophobicContact CZ-CG2 3.68Å; F83-E105 CarbonylContact O-C 3.51Å; F83-E105 VanDerWaalsContact O-CA 3.28Å; F83-E105 WeakPolarHBondContact O-CA 3.47Å; F83-L106 HydrophobicContact CB-CB 4.34Å; F83-L106 PolarHBondContact N-O 3.16Å; F83-L106 PolarHBondContact O-N 3.22Å
84G96.7Very high87.7Confident10 Ų1075.7 Ų75.710%0.10339%0.386CS..EExtended strand (participates in β ladder)trans-111.9145.3178.800000111.6V67 N68 G104V67-G84 CarbonylContact C-O 3.54Å; V67-G84 WeakPolarHBondContact CA-O 3.27Å; N68-G84 PolarHBondContact N-O 2.83Å; N68-G84 PolarHBondContact O-N 2.83Å; G84-G104 CarbonylContact C-O 3.56Å; G84-G104 WeakPolarHBondContact CA-O 3.31Å
85V97.4Very high87.4Confident33 Ų3381.8 Ų81.820%0.242%0.419CS..EExtended strand (participates in β ladder)trans-132.1138.9173.3177.90000107.7F65 F83 M103 G104F65-V85 HydrophobicContact CD2-CG1 4.22Å; F65-V85 HydrophobicContact CE1-CG1 4.08Å; F65-V85 HydrophobicContact CE2-CG1 3.28Å; F65-V85 HydrophobicContact CZ-CG1 3.22Å; F83-V85 HydrophobicContact CD1-CG2 4.2Å; F83-V85 HydrophobicContact CE1-CG2 3.41Å; F83-V85 VanDerWaalsContact CE1-CG2 3.41Å; F83-V85 HydrophobicContact CZ-CG2 3.68Å; V85-M103 WeakPolarHBondContact O-CA 3.28Å; V85-G104 PolarHBondContact N-O 2.82Å; V85-G104 PolarHBondContact O-N 2.77Å
86T96.7Very high87.4Confident21 Ų2183 Ų8313%0.12942%0.422CS..EExtended strand (participates in β ladder)trans-132.3131.2169.9-49.10000109.7F65 Q66 V88 V101 L102 M103F65-T86 WeakPolarHBondContact CA-O 3.31Å; Q66-T86 VanDerWaalsContact CG-CB 3.48Å; Q66-T86 HydrophobicContact CG-CG2 4.36Å; Q66-T86 PolarHBondContact N-O 3.01Å; Q66-T86 PolarHBondContact NE2-OG1 2.82Å; Q66-T86 VanDerWaalsContact NE2-OG1 3.16Å; Q66-T86 PolarHBondContact O-N 2.91Å; T86-V88 HydrophobicContact CG2-CG2 4.23Å; T86-V101 HydrophobicContact CG2-CG1 4.13Å; T86-L102 CarbonylContact C-O 3.54Å; T86-L102 VanDerWaalsContact CA-O 3.29Å; T86-L102 WeakPolarHBondContact CA-O 3.4Å; T86-M103 HydrophobicContact CG2-CE 4.03Å; T86-M103 HydrophobicContact CG2-CG 3.83Å
87Y96.3Very high87.9Confident75 Ų7581.7 Ų81.729%0.29441%0.413SS..EExtended strand (participates in β ladder)trans-115.1134.6170171.4-100000109.5N64 F65 V101 L102N64-Y87 HydrophobicContact CB-CD2 4.42Å; N64-Y87 HydrophobicContact CB-CE2 4.11Å; N64-Y87 CarbonylContact O-C 3.48Å; N64-Y87 VanDerWaalsContact O-CA 3.25Å; N64-Y87 WeakPolarHBondContact O-CA 3.38Å; N64-Y87 VanDerWaalsContact O-CD2 3.28Å; N64-Y87 WeakPolarHBondContact O-CD2 3.44Å; F65-Y87 HydrophobicContact CD2-CD2 4.29Å; Y87-V101 CarbonylContact O-C 3.56Å; Y87-V101 WeakPolarHBondContact O-CA 3.36Å; Y87-L102 HydrophobicContact CD1-CB 4.47Å; Y87-L102 HydrophobicContact CD1-CD1 3.8Å; Y87-L102 HydrophobicContact CD1-CG 4.01Å; Y87-L102 HydrophobicContact CE1-CD1 4.47Å; Y87-L102 PolarHBondContact N-O 2.74Å; Y87-L102 PolarHBondContact O-N 2.71Å
88V94.5Very high88.7Confident44 Ų4472.9 Ų72.927%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-120118.7177.6176.40000107.6N64 T86 V101N64-V88 WeakPolarHBondContact CB-O 3.04Å; N64-V88 PolarHBondContact ND2-O 3.29Å; N64-V88 PolarHBondContact O-N 2.84Å; T86-V88 HydrophobicContact CG2-CG2 4.23Å; V88-V101 HydrophobicContact CG2-CG1 4.34Å
89G92.4Very high89.5Confident1 Ų166 Ų661%0.0134%0.341CS..EExtended strand (participates in β ladder)trans-67.5174.8-175.700000114.2S98 P100G89-S98 WeakPolarHBondContact O-CB 3.37Å; G89-P100 PolarHBondContact N-O 2.77Å
90H87.9Confident90.1Very high135 Ų13566.1 Ų66.163%0.62534%0.34SS*.EExtended strand (participates in β ladder)trans-86.8-11.6-174.3-61.5-75.2000114.3N64 K92N64-H90 PolarHBondContact OD1-CE1 2.98Å; N64-H90 VanDerWaalsContact OD1-CE1 3.27Å; H90-K92 VanDerWaalsContact C-N 3.33Å; H90-K92 PolarHBondContact O-N 3.11Å
91N87.5Confident90.2Very high97 Ų9766.1 Ų66.152%0.51934%0.336SS..EExtended strand (participates in β ladder)trans-78.584.8-178.1-167.47.1000110.1S98 Y99N91-S98 WeakPolarHBondContact O-CA 3.35Å; N91-Y99 WeakPolarHBondContact CB-O 3.33Å; N91-Y99 PolarHBondContact N-O 3.23Å; N91-Y99 PolarHBondContact O-N 3.16Å
92K84Confident90.4Very high152 Ų15264.2 Ų64.266%0.66133%0.333SS*.EExtended strand (participates in β ladder)trans-72.1123.9177.2-73-170.2170.5-164.90110.5H90 S98H90-K92 VanDerWaalsContact C-N 3.33Å; H90-K92 PolarHBondContact O-N 3.11Å; K92-S98 WeakPolarHBondContact CG-OG 3.36Å
93V83.7Confident90.5Very high52 Ų5263.3 Ų63.332%0.31533%0.334SS..SBendtrans-102.7-36.7177-179.30000110.5E97 Y99V93-E97 PolarHBondContact N-O 2.9Å; V93-Y99 HydrophobicContact CG2-CD2 3.83Å; V93-Y99 HydrophobicContact CG2-CE2 4.1Å
94S79.7Confident90.5Very high47 Ų4761.3 Ų61.333%0.32933%0.333SS..SBendtrans-139.817817265.80000108.9T96 E97S94-T96 PolarHBondContact O-N 3.02Å; S94-T96 PolarHBondContact OG-N 3.11Å; S94-T96 PolarHBondContact OG-OG1 3.32Å; S94-E97 PolarHBondContact N-O 2.93Å; S94-E97 WeakPolarHBondContact OG-CB 3.48Å; S94-E97 PolarHBondContact OG-N 3.14Å
95D76.8Confident90.4Very high168 Ų16862.8 Ų62.890%0.89834%0.337SS*.SBendtrans-62.4-23.5173.4-64.4-33.3000112.6
96T77.7Confident90.3Very high127 Ų12764.6 Ų64.678%0.77935%0.345SS*.SBendtrans-100.4-27.4-177.653.90000113.6S94S94-T96 PolarHBondContact O-N 3.02Å; S94-T96 PolarHBondContact OG-N 3.11Å; S94-T96 PolarHBondContact OG-OG1 3.32Å
97E85.8Confident90Very high65 Ų6565.9 Ų65.930%0.30435%0.35SS..  trans-116.3125.6-171-62.4-169.1-175.100112.8V93 S94 Y99V93-E97 PolarHBondContact N-O 2.9Å; S94-E97 PolarHBondContact N-O 2.93Å; S94-E97 WeakPolarHBondContact OG-CB 3.48Å; S94-E97 PolarHBondContact OG-N 3.14Å; E97-Y99 HydrophobicContact CB-CE2 3.93Å; E97-Y99 WeakPolarHBondContact OE2-CE2 3.25Å; E97-Y99 PolarHBondContact OE2-OH 2.88Å
98S90.4Very high89.6Confident16 Ų1665 Ų6511%0.11235%0.353CS..EExtended strand (participates in β ladder)trans-136.4146.5171.5-440000110.6G89 N91 K92 V101G89-S98 WeakPolarHBondContact O-CB 3.37Å; N91-S98 WeakPolarHBondContact O-CA 3.35Å; K92-S98 WeakPolarHBondContact CG-OG 3.36Å; S98-V101 VanDerWaalsContact O-CG2 3.25Å; S98-V101 WeakPolarHBondContact O-CG2 3.42Å
99Y91.5Very high89.2Confident15 Ų1566.7 Ų66.76%0.05937%0.366CS..EExtended strand (participates in β ladder)trans-131.3156.3-174.8-63.3-81.5000112.6N91 V93 E97 V101 I117 R119 Y125N91-Y99 WeakPolarHBondContact CB-O 3.33Å; N91-Y99 PolarHBondContact N-O 3.23Å; N91-Y99 PolarHBondContact O-N 3.16Å; V93-Y99 HydrophobicContact CG2-CD2 3.83Å; V93-Y99 HydrophobicContact CG2-CE2 4.1Å; E97-Y99 HydrophobicContact CB-CE2 3.93Å; E97-Y99 WeakPolarHBondContact OE2-CE2 3.25Å; E97-Y99 PolarHBondContact OE2-OH 2.88Å; Y99-V101 HydrophobicContact CD1-CG2 4.47Å; Y99-I117 HydrophobicContact CD1-CG2 4.42Å; Y99-I117 HydrophobicContact CE1-CG2 3.93Å; Y99-R119 HydrophobicContact CD1-CB 4.28Å; Y99-R119 HydrophobicContact CD2-CB 3.78Å; Y99-R119 HydrophobicContact CE2-CB 4.18Å; Y99-R119 HydrophobicContact CG-CB 3.84Å; Y99-Y125 HydrophobicContact CE1-CD1 4.18Å; Y99-Y125 HydrophobicContact CE1-CE1 4.29Å; Y99-Y125 AromaticContact CE2-CE1 3.91Å; Y99-Y125 HydrophobicContact CE2-CE1 3.91Å; Y99-Y125 AromaticContact CZ-CD1 3.94Å; Y99-Y125 AromaticContact CZ-CE1 3.6Å; Y99-Y125 WeakPolarHBondContact OH-CE1 3.22Å
100P95.1Very high89Confident41 Ų4169 Ų6927%0.26639%0.391SS..EExtended strand (participates in β ladder)cis-70.6154.3-9.730.7-35.4000112.7G89 L102 I117 H118G89-P100 PolarHBondContact N-O 2.77Å; P100-L102 HydrophobicContact CB-CD2 4.36Å; P100-I117 CarbonylContact C-O 3.6Å; P100-I117 WeakPolarHBondContact CA-O 3.42Å; P100-H118 HydrophobicContact CB-CB 4.26Å
101V96.1Very high89.1Confident20 Ų2064.1 Ų64.112%0.12137%0.369CS..EExtended strand (participates in β ladder)trans-103.1122.2166.9-1750000108.1T86 Y87 V88 S98 Y99 M103 I116 I117T86-V101 HydrophobicContact CG2-CG1 4.13Å; Y87-V101 CarbonylContact O-C 3.56Å; Y87-V101 WeakPolarHBondContact O-CA 3.36Å; V88-V101 HydrophobicContact CG2-CG1 4.34Å; S98-V101 VanDerWaalsContact O-CG2 3.25Å; S98-V101 WeakPolarHBondContact O-CG2 3.42Å; Y99-V101 HydrophobicContact CD1-CG2 4.47Å; V101-M103 HydrophobicContact CG1-CE 3.65Å; V101-M103 HydrophobicContact CG1-CG 4.25Å; V101-I116 CarbonylContact O-C 3.52Å; V101-I116 WeakPolarHBondContact O-CA 3.27Å; V101-I117 HydrophobicContact CB-CB 4.25Å; V101-I117 PolarHBondContact N-O 2.82Å; V101-I117 PolarHBondContact O-N 2.78Å
102L97.3Very high89.4Confident69 Ų6963.8 Ų63.836%0.36137%0.366SS..EExtended strand (participates in β ladder)trans-113128.4176.6-49176.4000107.7T86 Y87 P100 Q115 I116T86-L102 CarbonylContact C-O 3.54Å; T86-L102 VanDerWaalsContact CA-O 3.29Å; T86-L102 WeakPolarHBondContact CA-O 3.4Å; Y87-L102 HydrophobicContact CD1-CB 4.47Å; Y87-L102 HydrophobicContact CD1-CD1 3.8Å; Y87-L102 HydrophobicContact CD1-CG 4.01Å; Y87-L102 HydrophobicContact CE1-CD1 4.47Å; Y87-L102 PolarHBondContact N-O 2.74Å; Y87-L102 PolarHBondContact O-N 2.71Å; P100-L102 HydrophobicContact CB-CD2 4.36Å; L102-Q115 CarbonylContact C-O 3.6Å; L102-Q115 WeakPolarHBondContact CA-O 3.47Å; L102-I116 HydrophobicContact CD2-CB 4.1Å; L102-I116 HydrophobicContact CD2-CD1 4.17Å; L102-I116 HydrophobicContact CD2-CG1 3.73Å; L102-I116 HydrophobicContact CD2-CG2 3.71Å
103M96.4Very high89.9Confident74 Ų7459.1 Ų59.137%0.36535%0.346SS..EExtended strand (participates in β ladder)trans-124.3135.8173.9-59.4-179.4-17900108.3V85 T86 V101 A114 Q115V85-M103 WeakPolarHBondContact O-CA 3.28Å; T86-M103 HydrophobicContact CG2-CE 4.03Å; T86-M103 HydrophobicContact CG2-CG 3.83Å; V101-M103 HydrophobicContact CG1-CE 3.65Å; V101-M103 HydrophobicContact CG1-CG 4.25Å; M103-A114 CarbonylContact O-C 3.56Å; M103-A114 WeakPolarHBondContact O-CA 3.42Å; M103-Q115 HydrophobicContact CB-CB 4.28Å; M103-Q115 PolarHBondContact N-O 3.37Å; M103-Q115 PolarHBondContact O-N 2.76Å
104G96.5Very high90.4Very high26 Ų2658.4 Ų58.427%0.26835%0.346SS..EExtended strand (participates in β ladder)trans-137.1137.3176.200000108.7G84 V85 Q113G84-G104 CarbonylContact C-O 3.56Å; G84-G104 WeakPolarHBondContact CA-O 3.31Å; V85-G104 PolarHBondContact N-O 2.82Å; V85-G104 PolarHBondContact O-N 2.77Å; G104-Q113 CarbonylContact C-O 3.58Å; G104-Q113 WeakPolarHBondContact CA-O 3.27Å
105E95.3Very high91.3Very high41 Ų4158.2 Ų58.219%0.19234%0.34CS..EExtended strand (participates in β ladder)trans-144.3129.7-174.9-164.8-160.77300111R82 F83 M112 Q113R82-E105 VanDerWaalsContact CD-CD 3.43Å; R82-E105 WeakPolarHBondContact CD-OE2 3.39Å; R82-E105 HydrophobicContact CG-CG 3.74Å; R82-E105 IonicContact CZ-OE1 2.81Å; R82-E105 IonicContact CZ-OE2 2.88Å; R82-E105 IonicContact NE-OE1 2.74Å; R82-E105 PolarHBondContact NE-OE1 3.32Å; R82-E105 IonicContact NE-OE2 3.01Å; R82-E105 PolarHBondContact NE-OE2 3.2Å; R82-E105 IonicContact NH1-OE1 3.77Å; R82-E105 IonicContact NH1-OE2 3.08Å; R82-E105 PolarHBondContact NH1-OE2 3.07Å; R82-E105 VanDerWaalsContact NH1-OE2 3.08Å; R82-E105 VanDerWaalsContact NH2-CD 3.28Å; R82-E105 IonicContact NH2-OE1 2.87Å; R82-E105 PolarHBondContact NH2-OE1 3.21Å; R82-E105 IonicContact NH2-OE2 2.58Å; R82-E105 PolarHBondContact NH2-OE2 3.19Å; F83-E105 CarbonylContact O-C 3.51Å; F83-E105 VanDerWaalsContact O-CA 3.28Å; F83-E105 WeakPolarHBondContact O-CA 3.47Å; E105-M112 CarbonylContact O-C 3.46Å; E105-M112 VanDerWaalsContact O-CA 3.27Å; E105-M112 WeakPolarHBondContact O-CA 3.45Å; E105-Q113 PolarHBondContact N-O 3.32Å; E105-Q113 PolarHBondContact O-N 2.78Å
106L94.2Very high92.2Very high71 Ų7153.9 Ų53.937%0.37232%0.316SS..EExtended strand (participates in β ladder)trans-102.2124.2174.4-175.268.5000108.8R82 F83R82-L106 VanDerWaalsContact CA-O 3.27Å; R82-L106 WeakPolarHBondContact CA-O 3.32Å; R82-L106 VanDerWaalsContact CG-O 3.31Å; R82-L106 WeakPolarHBondContact CG-O 3.39Å; F83-L106 HydrophobicContact CB-CB 4.34Å; F83-L106 PolarHBondContact N-O 3.16Å; F83-L106 PolarHBondContact O-N 3.22Å
107Q90.7Very high93.1Very high48 Ų4849.6 Ų49.622%0.22429%0.288CS..  trans-89.2159.6179.2-60.8174.312.400110.9S109 G110 N111Q107-S109 PolarHBondContact O-N 2.85Å; Q107-S109 VanDerWaalsContact O-N 3.13Å; Q107-G110 PolarHBondContact O-N 2.96Å; Q107-N111 HydrophobicContact CB-CB 4.47Å; Q107-N111 WeakPolarHBondContact CB-O 3.47Å; Q107-N111 PolarHBondContact N-O 2.82Å
108P88.6Confident93.5Very high56 Ų5649.9 Ų49.936%0.36429%0.289SS..THydrogen-bonded Turntrans-56.3-31.6179.7-26.434.4000114.3S79 G110S79-P108 WeakPolarHBondContact O-CB 3.4Å; P108-G110 PolarHBondContact O-N 2.75Å; P108-G110 VanDerWaalsContact O-N 3.17Å
109S85.8Confident93.7Very high79 Ų7952.1 Ų52.155%0.55230%0.295SS*.THydrogen-bonded Turntrans-69.2-5.117656.80000114.3Q107 N111Q107-S109 PolarHBondContact O-N 2.85Å; Q107-S109 VanDerWaalsContact O-N 3.13Å; S109-N111 VanDerWaalsContact C-N 3.26Å; S109-N111 PolarHBondContact OG-ND2 3.3Å
110G87Confident93.6Very high50 Ų5057 Ų5752%0.51532%0.319SS..SBendtrans81.90.7-172.500000113.9Q107 P108Q107-G110 PolarHBondContact O-N 2.96Å; P108-G110 PolarHBondContact O-N 2.75Å; P108-G110 VanDerWaalsContact O-N 3.17Å
111N91.2Very high93.4Very high32 Ų3260.9 Ų60.917%0.17133%0.333CS..  trans-71.9144.2173.2-65.5-26.5000110.4Q107 S109 L132 Q133Q107-N111 HydrophobicContact CB-CB 4.47Å; Q107-N111 WeakPolarHBondContact CB-O 3.47Å; Q107-N111 PolarHBondContact N-O 2.82Å; S109-N111 VanDerWaalsContact C-N 3.26Å; S109-N111 PolarHBondContact OG-ND2 3.3Å; N111-L132 CarbonylContact C-O 3.6Å; N111-L132 WeakPolarHBondContact CA-O 3.43Å; N111-Q133 HydrophobicContact CB-CG 4.46Å; N111-Q133 WeakPolarHBondContact OD1-CA 3.26Å
112M92.9Very high93Very high91 Ų9164.4 Ų64.445%0.44836%0.355SS..EExtended strand (participates in β ladder)trans-113137.3178.4177.8-178.1-96.300110.2E105 Q131 L132E105-M112 CarbonylContact O-C 3.46Å; E105-M112 VanDerWaalsContact O-CA 3.27Å; E105-M112 WeakPolarHBondContact O-CA 3.45Å; M112-Q131 CarbonylContact O-C 3.59Å; M112-Q131 WeakPolarHBondContact O-CA 3.29Å; M112-L132 HydrophobicContact CB-CB 4.17Å; M112-L132 PolarHBondContact N-O 2.58Å; M112-L132 PolarHBondContact O-N 2.82Å
113Q94.3Very high92.7Very high53 Ų5362.8 Ų62.825%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-114.7126.4167.8-174.517122.200109G104 E105 I129 A130 Q131G104-Q113 CarbonylContact C-O 3.58Å; G104-Q113 WeakPolarHBondContact CA-O 3.27Å; E105-Q113 PolarHBondContact N-O 3.32Å; E105-Q113 PolarHBondContact O-N 2.78Å; Q113-I129 HydrophobicContact CG-CG2 4.34Å; Q113-A130 CarbonylContact C-O 3.57Å; Q113-A130 WeakPolarHBondContact CA-O 3.35Å; Q113-Q131 HydrophobicContact CG-CG 4.22Å
114A96Very high92.6Very high38 Ų3860.9 Ų60.931%0.31434%0.342SS..EExtended strand (participates in β ladder)trans-119.3140.6175.600000109.5M103 I129 A130M103-A114 CarbonylContact O-C 3.56Å; M103-A114 WeakPolarHBondContact O-CA 3.42Å; A114-I129 CarbonylContact O-C 3.52Å; A114-I129 WeakPolarHBondContact O-CA 3.35Å; A114-A130 PolarHBondContact N-O 2.62Å; A114-A130 PolarHBondContact O-N 3.45Å
115Q96.8Very high92.5Very high43 Ų4360.8 Ų60.820%0.20133%0.334CS..EExtended strand (participates in β ladder)trans-137.1135.9177.9174.5175.66.200110.2L102 M103 I117 Y128 I129L102-Q115 CarbonylContact C-O 3.6Å; L102-Q115 WeakPolarHBondContact CA-O 3.47Å; M103-Q115 HydrophobicContact CB-CB 4.28Å; M103-Q115 PolarHBondContact N-O 3.37Å; M103-Q115 PolarHBondContact O-N 2.76Å; Q115-I117 HydrophobicContact CG-CG1 4.17Å; Q115-Y128 CarbonylContact C-O 3.59Å; Q115-Y128 VanDerWaalsContact CA-O 3.26Å; Q115-Y128 WeakPolarHBondContact CA-O 3.41Å; Q115-I129 HydrophobicContact CB-CG1 4.14Å; Q115-I129 HydrophobicContact CG-CG1 3.84Å
116I97.1Very high92.5Very high76 Ų7661 Ų6139%0.3934%0.338SS..EExtended strand (participates in β ladder)trans-124.2128.2176.1-57.7-176.4000107.2V101 L102 R127 Y128V101-I116 CarbonylContact O-C 3.52Å; V101-I116 WeakPolarHBondContact O-CA 3.27Å; L102-I116 HydrophobicContact CD2-CB 4.1Å; L102-I116 HydrophobicContact CD2-CD1 4.17Å; L102-I116 HydrophobicContact CD2-CG1 3.73Å; L102-I116 HydrophobicContact CD2-CG2 3.71Å; I116-R127 CarbonylContact O-C 3.51Å; I116-R127 VanDerWaalsContact O-CA 3.25Å; I116-R127 WeakPolarHBondContact O-CA 3.25Å; I116-Y128 PolarHBondContact N-O 2.76Å; I116-Y128 PolarHBondContact O-N 3.27Å
117I95.9Very high92.6Very high38 Ų3860.8 Ų60.820%0.19533%0.333CS..EExtended strand (participates in β ladder)trans-121.8121.2172-50.3171.7000107.2Y99 P100 V101 Q115 V126 R127Y99-I117 HydrophobicContact CD1-CG2 4.42Å; Y99-I117 HydrophobicContact CE1-CG2 3.93Å; P100-I117 CarbonylContact C-O 3.6Å; P100-I117 WeakPolarHBondContact CA-O 3.42Å; V101-I117 HydrophobicContact CB-CB 4.25Å; V101-I117 PolarHBondContact N-O 2.82Å; V101-I117 PolarHBondContact O-N 2.78Å; Q115-I117 HydrophobicContact CG-CG1 4.17Å; I117-V126 WeakPolarHBondContact CA-O 3.05Å; I117-R127 HydrophobicContact CG1-CG 4.22Å
118H95.1Very high92.9Very high71 Ų7162.1 Ų62.133%0.32934%0.336SS..EExtended strand (participates in β ladder)trans-138.4137.7-178.3-171.953.6000111.8P100 M120 Y125 V126P100-H118 HydrophobicContact CB-CB 4.26Å; H118-M120 PolarHBondContact O-N 3.02Å; H118-Y125 CarbonylContact O-C 3.53Å; H118-Y125 WeakPolarHBondContact O-CA 3.37Å; H118-V126 PolarHBondContact N-O 2.82Å; H118-V126 PolarHBondContact O-N 2.82Å
119R93.3Very high93.3Very high63 Ų6360.5 Ų60.524%0.23832%0.324CS..EExtended strand (participates in β ladder)trans-86.593.8170.7-175.4-178.9-178.5-144.37.5108.8Y99 F121 P122 Y125Y99-R119 HydrophobicContact CD1-CB 4.28Å; Y99-R119 HydrophobicContact CD2-CB 3.78Å; Y99-R119 HydrophobicContact CE2-CB 4.18Å; Y99-R119 HydrophobicContact CG-CB 3.84Å; R119-F121 VanDerWaalsContact CG-O 3.28Å; R119-F121 WeakPolarHBondContact CG-O 3.19Å; R119-P122 PolarHBondContact NE-O 2.72Å; R119-P122 VanDerWaalsContact NE-O 3.09Å; R119-P122 PolarHBondContact NH2-O 3.41Å; R119-Y125 HydrophobicContact CB-CD1 4.03Å; R119-Y125 HydrophobicContact CB-CE1 3.92Å; R119-Y125 HydrophobicContact CG-CD1 4.21Å; R119-Y125 HydrophobicContact CG-CE1 3.81Å
120M90Very high93.7Very high116 Ų11657.1 Ų57.157%0.57130%0.301SS*.EExtended strand (participates in β ladder)trans-70.7-40.1-177.5-168.9172.9-164.800111.9H118 V124 V126H118-M120 PolarHBondContact O-N 3.02Å; M120-V124 PolarHBondContact N-O 2.97Å; M120-V126 HydrophobicContact CB-CG2 4.08Å; M120-V126 HydrophobicContact SD-CG2 4.25Å
121F91.1Very high94Very high124 Ų12458.5 Ų58.554%0.54429%0.294SS..EExtended strand (participates in β ladder)trans-135.3165172.6-61.2-76.1000109.7R119 S123 V124R119-F121 VanDerWaalsContact CG-O 3.28Å; R119-F121 WeakPolarHBondContact CG-O 3.19Å; F121-S123 PolarHBondContact O-N 2.74Å; F121-V124 HydrophobicContact CB-CB 4.01Å; F121-V124 HydrophobicContact CB-CG2 4.12Å; F121-V124 HydrophobicContact CD2-CB 4.13Å; F121-V124 HydrophobicContact CD2-CG2 4.26Å; F121-V124 PolarHBondContact N-O 2.9Å; F121-V124 PolarHBondContact O-N 2.96Å; F121-V124 VanDerWaalsContact O-O 3.1Å
122P87.5Confident94.1Very high93 Ų9359.3 Ų59.360%0.60430%0.298SS*.THydrogen-bonded Turntrans-51.8-28.6-174.2-33.137.9000116.5R119R119-P122 PolarHBondContact NE-O 2.72Å; R119-P122 VanDerWaalsContact NE-O 3.09Å; R119-P122 PolarHBondContact NH2-O 3.41Å
123S90.3Very high93.8Very high36 Ų3659.6 Ų59.625%0.25230%0.298SS..THydrogen-bonded Turntrans-117.74.4177.5-59.50000114F121 Y146 R147F121-S123 PolarHBondContact O-N 2.74Å; S123-Y146 CarbonylContact O-C 3.59Å; S123-Y146 VanDerWaalsContact O-CA 3.32Å; S123-Y146 WeakPolarHBondContact O-CA 3.37Å; S123-Y146 WeakPolarHBondContact O-CD2 3.41Å; S123-R147 WeakPolarHBondContact CB-O 3.15Å; S123-R147 PolarHBondContact O-N 2.83Å
124V94.4Very high93.3Very high33 Ų3367.8 Ų67.820%0.233%0.327CS..EExtended strand (participates in β ladder)trans-119.3115.7-176.9-176.70000109.4M120 F121 V144 E145 Y146M120-V124 PolarHBondContact N-O 2.97Å; F121-V124 HydrophobicContact CB-CB 4.01Å; F121-V124 HydrophobicContact CB-CG2 4.12Å; F121-V124 HydrophobicContact CD2-CB 4.13Å; F121-V124 HydrophobicContact CD2-CG2 4.26Å; F121-V124 PolarHBondContact N-O 2.9Å; F121-V124 PolarHBondContact O-N 2.96Å; F121-V124 VanDerWaalsContact O-O 3.1Å; V124-V144 HydrophobicContact CG1-CG1 3.86Å; V124-E145 CarbonylContact C-O 3.48Å; V124-E145 WeakPolarHBondContact CA-O 3.46Å; V124-Y146 HydrophobicContact CG2-CD2 4.03Å
125Y94.4Very high92.4Very high24 Ų2474.5 Ų74.59%0.09435%0.352CS..EExtended strand (participates in β ladder)trans-107.4137176.8-60.7-99000108.3Y99 H118 R119 V144 E145 R147Y99-Y125 HydrophobicContact CE1-CD1 4.18Å; Y99-Y125 HydrophobicContact CE1-CE1 4.29Å; Y99-Y125 AromaticContact CE2-CE1 3.91Å; Y99-Y125 HydrophobicContact CE2-CE1 3.91Å; Y99-Y125 AromaticContact CZ-CD1 3.94Å; Y99-Y125 AromaticContact CZ-CE1 3.6Å; Y99-Y125 WeakPolarHBondContact OH-CE1 3.22Å; H118-Y125 CarbonylContact O-C 3.53Å; H118-Y125 WeakPolarHBondContact O-CA 3.37Å; R119-Y125 HydrophobicContact CB-CD1 4.03Å; R119-Y125 HydrophobicContact CB-CE1 3.92Å; R119-Y125 HydrophobicContact CG-CD1 4.21Å; R119-Y125 HydrophobicContact CG-CE1 3.81Å; Y125-V144 WeakPolarHBondContact O-CA 3.03Å; Y125-E145 PolarHBondContact N-O 3.05Å; Y125-E145 PolarHBondContact O-N 2.8Å; Y125-R147 HydrophobicContact CD2-CB 4.14Å; Y125-R147 HydrophobicContact CD2-CG 3.82Å; Y125-R147 HydrophobicContact CE2-CB 3.91Å; Y125-R147 HydrophobicContact CE2-CG 4.02Å
126V96.7Very high91.8Very high46 Ų4682 Ų8228%0.27938%0.378SS..EExtended strand (participates in β ladder)trans-119.6129.7176.9-179.10000107.2I117 H118 M120 C143 V144I117-V126 WeakPolarHBondContact CA-O 3.05Å; H118-V126 PolarHBondContact N-O 2.82Å; H118-V126 PolarHBondContact O-N 2.82Å; M120-V126 HydrophobicContact CB-CG2 4.08Å; M120-V126 HydrophobicContact SD-CG2 4.25Å; V126-C143 CarbonylContact C-O 3.59Å; V126-C143 WeakPolarHBondContact CA-O 3.16Å; V126-V144 HydrophobicContact CG2-CG2 4.45Å
127R96.3Very high91.1Very high67 Ų6784.4 Ų84.425%0.25339%0.386SS..EExtended strand (participates in β ladder)trans-122.6129.1174.3174.4175.761-179-1.2108.7I116 I117 I129 C143 E145I116-R127 CarbonylContact O-C 3.51Å; I116-R127 VanDerWaalsContact O-CA 3.25Å; I116-R127 WeakPolarHBondContact O-CA 3.25Å; I117-R127 HydrophobicContact CG1-CG 4.22Å; R127-I129 HydrophobicContact CG-CG1 4.32Å; R127-C143 HydrophobicContact CB-CB 4.2Å; R127-C143 PolarHBondContact N-O 2.83Å; R127-C143 PolarHBondContact O-N 3.18Å; R127-E145 IonicContact CZ-OE1 2.87Å; R127-E145 IonicContact NH2-OE1 3.69Å
128Y97Very high90.4Very high75 Ų7584.9 Ų84.929%0.29440%0.4SS..EExtended strand (participates in β ladder)trans-125.6131.2174.4178.7-106.6000109.2Q115 I116 A130 Q140 Q141 A142Q115-Y128 CarbonylContact C-O 3.59Å; Q115-Y128 VanDerWaalsContact CA-O 3.26Å; Q115-Y128 WeakPolarHBondContact CA-O 3.41Å; I116-Y128 PolarHBondContact N-O 2.76Å; I116-Y128 PolarHBondContact O-N 3.27Å; Y128-A130 HydrophobicContact CE1-CB 3.75Å; Y128-Q140 HydrophobicContact CE2-CB 4.38Å; Y128-Q140 PolarHBondContact OH-OE1 2.83Å; Y128-Q141 CarbonylContact C-O 3.51Å; Y128-Q141 WeakPolarHBondContact CA-O 3.33Å; Y128-Q141 WeakPolarHBondContact CD2-O 3.39Å; Y128-A142 HydrophobicContact CD2-CB 4.16Å
129I96.2Very high90.1Very high22 Ų2281.9 Ų81.911%0.11339%0.388CS..EExtended strand (participates in β ladder)trans-123.8129.7177.3-58.3169.6000107.3Q113 A114 Q115 R127 Q140 Q141Q113-I129 HydrophobicContact CG-CG2 4.34Å; A114-I129 CarbonylContact O-C 3.52Å; A114-I129 WeakPolarHBondContact O-CA 3.35Å; Q115-I129 HydrophobicContact CB-CG1 4.14Å; Q115-I129 HydrophobicContact CG-CG1 3.84Å; R127-I129 HydrophobicContact CG-CG1 4.32Å; I129-Q140 CarbonylContact O-C 3.6Å; I129-Q140 WeakPolarHBondContact O-CA 3.35Å; I129-Q141 HydrophobicContact CB-CB 4.29Å; I129-Q141 PolarHBondContact N-O 2.82Å; I129-Q141 PolarHBondContact O-N 3.06Å
130A95Very high90.1Very high8 Ų882.3 Ų82.37%0.06639%0.393CS..EExtended strand (participates in β ladder)trans-125.9135.8174.700000110.1Q113 A114 Y128 F137Q113-A130 CarbonylContact C-O 3.57Å; Q113-A130 WeakPolarHBondContact CA-O 3.35Å; A114-A130 PolarHBondContact N-O 2.62Å; A114-A130 PolarHBondContact O-N 3.45Å; Y128-A130 HydrophobicContact CE1-CB 3.75Å; A130-F137 HydrophobicContact CB-CD1 4.1Å; A130-F137 HydrophobicContact CB-CE1 3.97Å
131Q93.3Very high90.3Very high79 Ų7979.4 Ų79.437%0.36938%0.378SS..EExtended strand (participates in β ladder)trans-112.6117.2172.5-68.2-179.7-10.100108.6M112 Q113 G138 G139M112-Q131 CarbonylContact O-C 3.59Å; M112-Q131 WeakPolarHBondContact O-CA 3.29Å; Q113-Q131 HydrophobicContact CG-CG 4.22Å; Q131-G138 PolarHBondContact O-N 2.8Å; Q131-G139 PolarHBondContact N-O 3.1Å; Q131-G139 PolarHBondContact O-N 2.79Å
132L92.1Very high90.6Very high50 Ų5075.4 Ų75.426%0.26237%0.368SS..EExtended strand (participates in β ladder)trans-101.7120.6179.1-133.370.3000109.3N111 M112 R136 F137N111-L132 CarbonylContact C-O 3.6Å; N111-L132 WeakPolarHBondContact CA-O 3.43Å; M112-L132 HydrophobicContact CB-CB 4.17Å; M112-L132 PolarHBondContact N-O 2.58Å; M112-L132 PolarHBondContact O-N 2.82Å; L132-R136 CarbonylContact C-O 3.57Å; L132-R136 WeakPolarHBondContact CA-O 3.37Å; L132-F137 HydrophobicContact CD1-CB 4.39Å; L132-F137 HydrophobicContact CD1-CD1 3.35Å; L132-F137 HydrophobicContact CD1-CD2 3.99Å; L132-F137 HydrophobicContact CD1-CE1 3.42Å; L132-F137 VanDerWaalsContact CD1-CE1 3.42Å; L132-F137 HydrophobicContact CD1-CE2 4.05Å; L132-F137 HydrophobicContact CD1-CG 3.65Å; L132-F137 HydrophobicContact CD1-CZ 3.78Å
133Q87.9Confident91Very high97 Ų9771 Ų7145%0.45334%0.34SS..EExtended strand (participates in β ladder)trans-119.1118.4175.5-61.4-176.4-15.800108.4N111 H135 R136N111-Q133 HydrophobicContact CB-CG 4.46Å; N111-Q133 WeakPolarHBondContact OD1-CA 3.26Å; Q133-H135 VanDerWaalsContact C-N 3.3Å; Q133-H135 PolarHBondContact O-N 2.77Å; Q133-R136 PolarHBondContact N-O 2.67Å; Q133-R136 PolarHBondContact O-N 2.79Å
134R82.3Confident91.3Very high224 Ų22472.6 Ų72.685%0.84535%0.347SS*.THydrogen-bonded Turntrans46.750.4179.5-57.2-177.9179.9-177.60.3113.1R136R134-R136 PolarHBondContact O-N 2.84Å
135H76.9Confident91.4Very high180 Ų18071.6 Ų71.683%0.83334%0.341SS*.THydrogen-bonded Turntrans68.27.3179.8-41.1-73.8000116.3Q133Q133-H135 VanDerWaalsContact C-N 3.3Å; Q133-H135 PolarHBondContact O-N 2.77Å
136R84.2Confident91.4Very high200 Ų20074.7 Ų74.776%0.75535%0.353SS*.EExtended strand (participates in β ladder)trans-111.9146.9173.4-63.4-174.6179.7-175.4-0110.4L132 Q133 R134 G138L132-R136 CarbonylContact C-O 3.57Å; L132-R136 WeakPolarHBondContact CA-O 3.37Å; Q133-R136 PolarHBondContact N-O 2.67Å; Q133-R136 PolarHBondContact O-N 2.79Å; R134-R136 PolarHBondContact O-N 2.84Å; R136-G138 PolarHBondContact O-N 2.76Å; R136-G138 VanDerWaalsContact O-N 3.16Å
137F82.4Confident91.2Very high126 Ų12676.3 Ų76.355%0.55335%0.354SS*.EExtended strand (participates in β ladder)trans-70107.9168.9-69.6-83.1000108.7A130 L132 Q140A130-F137 HydrophobicContact CB-CD1 4.1Å; A130-F137 HydrophobicContact CB-CE1 3.97Å; L132-F137 HydrophobicContact CD1-CB 4.39Å; L132-F137 HydrophobicContact CD1-CD1 3.35Å; L132-F137 HydrophobicContact CD1-CD2 3.99Å; L132-F137 HydrophobicContact CD1-CE1 3.42Å; L132-F137 VanDerWaalsContact CD1-CE1 3.42Å; L132-F137 HydrophobicContact CD1-CE2 4.05Å; L132-F137 HydrophobicContact CD1-CG 3.65Å; L132-F137 HydrophobicContact CD1-CZ 3.78Å; F137-Q140 HydrophobicContact CB-CG 4.28Å; F137-Q140 HydrophobicContact CD1-CG 4.19Å
138G82.1Confident91Very high48 Ų4878 Ų7850%0.49536%0.363SS..EExtended strand (participates in β ladder)trans-86-37.2176.700000112.1Q131 R136Q131-G138 PolarHBondContact O-N 2.8Å; R136-G138 PolarHBondContact O-N 2.76Å; R136-G138 VanDerWaalsContact O-N 3.16Å
139G88.5Confident90.6Very high8 Ų879.7 Ų79.78%0.08238%0.383CS..EExtended strand (participates in β ladder)trans-145.1143.7176.700000111.9Q131 N159Q131-G139 PolarHBondContact N-O 3.1Å; Q131-G139 PolarHBondContact O-N 2.79Å; G139-N159 WeakPolarHBondContact CA-OD1 3.48Å
140Q92.9Very high90.4Very high72 Ų7285.9 Ų85.934%0.33641%0.409SS..EExtended strand (participates in β ladder)trans-138.9135.7178.1-62.6-174.551.600109.4Y128 I129 F137 N159Y128-Q140 HydrophobicContact CE2-CB 4.38Å; Y128-Q140 PolarHBondContact OH-OE1 2.83Å; I129-Q140 CarbonylContact O-C 3.6Å; I129-Q140 WeakPolarHBondContact O-CA 3.35Å; F137-Q140 HydrophobicContact CB-CG 4.28Å; F137-Q140 HydrophobicContact CD1-CG 4.19Å; Q140-N159 PolarHBondContact N-OD1 3.19Å; Q140-N159 WeakPolarHBondContact O-CA 3.07Å; Q140-N159 PolarHBondContact O-N 2.92Å; Q140-N159 PolarHBondContact O-OD1 3.21Å
141Q95Very high90.3Very high56 Ų5687.5 Ų87.526%0.26242%0.418SS..EExtended strand (participates in β ladder)trans-134.9123.6176.3176.4179.5-6.600109.1Y128 I129 T156 L157 I158Y128-Q141 CarbonylContact C-O 3.51Å; Y128-Q141 WeakPolarHBondContact CA-O 3.33Å; Y128-Q141 WeakPolarHBondContact CD2-O 3.39Å; I129-Q141 HydrophobicContact CB-CB 4.29Å; I129-Q141 PolarHBondContact N-O 2.82Å; I129-Q141 PolarHBondContact O-N 3.06Å; Q141-T156 HydrophobicContact CG-CG2 3.67Å; Q141-T156 VanDerWaalsContact NE2-CG2 3.32Å; Q141-L157 CarbonylContact C-O 3.43Å; Q141-L157 VanDerWaalsContact CA-O 3.28Å; Q141-L157 WeakPolarHBondContact CA-O 3.3Å; Q141-I158 HydrophobicContact CG-CG1 4.1Å
142A96.5Very high90.4Very high40 Ų4084.7 Ų84.733%0.33141%0.405SS..EExtended strand (participates in β ladder)trans-115.5127.1175.200000108.8Y128 T156 L157Y128-A142 HydrophobicContact CD2-CB 4.16Å; A142-T156 CarbonylContact O-C 3.52Å; A142-T156 WeakPolarHBondContact O-CA 3.28Å; A142-L157 PolarHBondContact N-O 2.79Å; A142-L157 PolarHBondContact O-N 3.07Å
143C96.6Very high90.7Very high1 Ų184.5 Ų84.51%0.00741%0.406CS..EExtended strand (participates in β ladder)trans-128.9128.7-177.2-178.40000109.1V126 R127 L155 T156V126-C143 CarbonylContact C-O 3.59Å; V126-C143 WeakPolarHBondContact CA-O 3.16Å; R127-C143 HydrophobicContact CB-CB 4.2Å; R127-C143 PolarHBondContact N-O 2.83Å; R127-C143 PolarHBondContact O-N 3.18Å; C143-L155 CarbonylContact C-O 3.46Å; C143-L155 WeakPolarHBondContact CA-O 3.35Å; C143-T156 HydrophobicContact CB-CG2 4.2Å; C143-T156 PolarHBondContact SG-OG1 2.9Å
144V97.7Very high91.1Very high68 Ų6880.2 Ų80.241%0.41239%0.387SS..EExtended strand (participates in β ladder)trans-114.9121172.5-177.50000107.6V124 Y125 V126 S154 L155V124-V144 HydrophobicContact CG1-CG1 3.86Å; Y125-V144 WeakPolarHBondContact O-CA 3.03Å; V126-V144 HydrophobicContact CG2-CG2 4.45Å; V144-S154 WeakPolarHBondContact O-CA 3.39Å; V144-L155 PolarHBondContact N-O 3.17Å; V144-L155 PolarHBondContact O-N 3.38Å
145E95.5Very high91.8Very high13 Ų1373.6 Ų73.66%0.06137%0.368CS..EExtended strand (participates in β ladder)trans-115.2124.3-179.6-58.6-177.3-159.800110.3V124 Y125 R127 R147 T153V124-E145 CarbonylContact C-O 3.48Å; V124-E145 WeakPolarHBondContact CA-O 3.46Å; Y125-E145 PolarHBondContact N-O 3.05Å; Y125-E145 PolarHBondContact O-N 2.8Å; R127-E145 IonicContact CZ-OE1 2.87Å; R127-E145 IonicContact NH2-OE1 3.69Å; E145-R147 HydrophobicContact CB-CG 4.46Å; E145-R147 IonicContact OE1-NH2 2.67Å; E145-R147 IonicContact OE2-CZ 3.85Å; E145-R147 IonicContact OE2-NE 3.07Å; E145-R147 PolarHBondContact OE2-NE 3.34Å; E145-R147 IonicContact OE2-NH2 3.45Å; E145-R147 PolarHBondContact OE2-NH2 2.76Å; E145-T153 CarbonylContact C-O 3.59Å; E145-T153 WeakPolarHBondContact CA-O 3.36Å
146Y95.2Very high92.7Very high89 Ų8965.4 Ų65.435%0.34933%0.33SS..EExtended strand (participates in β ladder)trans-96.3115.9168.1-175.6-109.2000109.5S123 V124 K148 Q152 T153S123-Y146 CarbonylContact O-C 3.59Å; S123-Y146 VanDerWaalsContact O-CA 3.32Å; S123-Y146 WeakPolarHBondContact O-CA 3.37Å; S123-Y146 WeakPolarHBondContact O-CD2 3.41Å; V124-Y146 HydrophobicContact CG2-CD2 4.03Å; Y146-K148 HydrophobicContact CE1-CD 3.88Å; Y146-K148 HydrophobicContact CE1-CG 4.03Å; Y146-K148 WeakPolarHBondContact OH-CD 3.34Å; Y146-K148 WeakPolarHBondContact OH-CE 3.22Å; Y146-K148 PolarHBondContact OH-NZ 3.38Å; Y146-Q152 CarbonylContact O-C 3.55Å; Y146-Q152 VanDerWaalsContact O-CA 3.32Å; Y146-Q152 WeakPolarHBondContact O-CA 3.45Å; Y146-T153 PolarHBondContact N-O 2.92Å; Y146-T153 PolarHBondContact O-N 2.83Å
147R92.5Very high93.3Very high80 Ų8058.6 Ų58.630%0.30231%0.309SS..EExtended strand (participates in β ladder)trans-116.7122.9-177.7-57.4-174.8-171.9168.5-2.7111.2S123 Y125 E145 Q152S123-R147 WeakPolarHBondContact CB-O 3.15Å; S123-R147 PolarHBondContact O-N 2.83Å; Y125-R147 HydrophobicContact CD2-CB 4.14Å; Y125-R147 HydrophobicContact CD2-CG 3.82Å; Y125-R147 HydrophobicContact CE2-CB 3.91Å; Y125-R147 HydrophobicContact CE2-CG 4.02Å; E145-R147 HydrophobicContact CB-CG 4.46Å; E145-R147 IonicContact OE1-NH2 2.67Å; E145-R147 IonicContact OE2-CZ 3.85Å; E145-R147 IonicContact OE2-NE 3.07Å; E145-R147 PolarHBondContact OE2-NE 3.34Å; E145-R147 IonicContact OE2-NH2 3.45Å; E145-R147 PolarHBondContact OE2-NH2 2.76Å; R147-Q152 HydrophobicContact CG-CG 4.18Å
148K90.9Very high93.8Very high101 Ų10154.2 Ų54.244%0.43929%0.291SS..EExtended strand (participates in β ladder)trans-132.2159.4167.8-85.3-172165.6167.90109.7Y146 K150 V151Y146-K148 HydrophobicContact CE1-CD 3.88Å; Y146-K148 HydrophobicContact CE1-CG 4.03Å; Y146-K148 WeakPolarHBondContact OH-CD 3.34Å; Y146-K148 WeakPolarHBondContact OH-CE 3.22Å; Y146-K148 PolarHBondContact OH-NZ 3.38Å; K148-K150 PolarHBondContact O-N 2.82Å; K148-V151 CarbonylContact C-O 3.55Å; K148-V151 WeakPolarHBondContact CA-O 3.34Å; K148-V151 HydrophobicContact CB-CG1 3.85Å; K148-V151 PolarHBondContact N-O 2.81Å; K148-V151 CarbonylContact O-C 3.51Å; K148-V151 PolarHBondContact O-N 3.36Å; K148-V151 VanDerWaalsContact O-N 3.14Å
149P88.8Confident94.1Very high111 Ų11155.5 Ų55.572%0.72129%0.286SS*.THydrogen-bonded Turntrans-54.9-29.9-174.6-29.235.6000115.6
150K92.1Very high93.9Very high153 Ų15357.9 Ų57.967%0.66530%0.3SS*.THydrogen-bonded Turntrans-109.3-8.7-179.1-64.6-173.8179.6-179.20114.4K148 R175 Q176K148-K150 PolarHBondContact O-N 2.82Å; K150-R175 WeakPolarHBondContact O-CA 3.28Å; K150-R175 WeakPolarHBondContact O-CG 3.34Å; K150-Q176 HydrophobicContact CB-CB 4.42Å; K150-Q176 PolarHBondContact O-N 2.71Å
151V94Very high93.5Very high42 Ų4257.1 Ų57.126%0.25530%0.299SS..EExtended strand (participates in β ladder)trans-149.2133.2-173.860.50000110.3K148 M174K148-V151 CarbonylContact C-O 3.55Å; K148-V151 WeakPolarHBondContact CA-O 3.34Å; K148-V151 HydrophobicContact CB-CG1 3.85Å; K148-V151 PolarHBondContact N-O 2.81Å; K148-V151 CarbonylContact O-C 3.51Å; K148-V151 PolarHBondContact O-N 3.36Å; K148-V151 VanDerWaalsContact O-N 3.14Å; V151-M174 WeakPolarHBondContact CA-O 3.25Å
152Q95.5Very high92.5Very high19 Ų1961.3 Ų61.39%0.08933%0.328CS..EExtended strand (participates in β ladder)trans-128132.4173.3-178.3164.7-5.800108.5P32 G33 T34 Y146 R147 M174P32-Q152 HydrophobicContact CG-CB 4.06Å; G33-Q152 VanDerWaalsContact CA-OE1 3.24Å; G33-Q152 WeakPolarHBondContact O-CB 3.46Å; G33-Q152 PolarHBondContact O-OE1 2.86Å; T34-Q152 HydrophobicContact CG2-CG 4.17Å; Y146-Q152 CarbonylContact O-C 3.55Å; Y146-Q152 VanDerWaalsContact O-CA 3.32Å; Y146-Q152 WeakPolarHBondContact O-CA 3.45Å; R147-Q152 HydrophobicContact CG-CG 4.18Å; Q152-M174 PolarHBondContact N-O 2.81Å; Q152-M174 PolarHBondContact O-N 2.81Å
153T96.5Very high91.7Very high46 Ų4663 Ų6328%0.28235%0.349SS..EExtended strand (participates in β ladder)trans-131.4135.3178.2-620000108.2E145 Y146 D172 V173E145-T153 CarbonylContact C-O 3.59Å; E145-T153 WeakPolarHBondContact CA-O 3.36Å; Y146-T153 PolarHBondContact N-O 2.92Å; Y146-T153 PolarHBondContact O-N 2.83Å; T153-D172 CarbonylContact C-O 3.58Å; T153-D172 WeakPolarHBondContact CA-O 3.33Å; T153-V173 HydrophobicContact CG2-CG2 3.89Å
154S96.5Very high90.8Very high7 Ų771 Ų715%0.04938%0.379CS..EExtended strand (participates in β ladder)trans-130.2142.5174760000111.3V144 L171 D172V144-S154 WeakPolarHBondContact O-CA 3.39Å; S154-L171 WeakPolarHBondContact O-CA 3.21Å; S154-D172 PolarHBondContact N-O 3.08Å; S154-D172 PolarHBondContact O-N 3.43Å; S154-D172 WeakPolarHBondContact OG-CB 3.26Å
155L97.4Very high90Very high85 Ų8569.7 Ų69.745%0.44538%0.379SS..EExtended strand (participates in β ladder)trans-121.4118.3169.2167.763.8000107.1C143 V144 V169 A170 L171C143-L155 CarbonylContact C-O 3.46Å; C143-L155 WeakPolarHBondContact CA-O 3.35Å; V144-L155 PolarHBondContact N-O 3.17Å; V144-L155 PolarHBondContact O-N 3.38Å; L155-V169 HydrophobicContact CD1-CG1 3.49Å; L155-V169 VanDerWaalsContact CD1-CG1 3.49Å; L155-A170 WeakPolarHBondContact CA-O 3.15Å; L155-L171 HydrophobicContact CB-CD2 4.04Å; L155-L171 HydrophobicContact CD1-CD2 3.44Å; L155-L171 VanDerWaalsContact CD1-CD2 3.44Å; L155-L171 HydrophobicContact CD1-CG 4.12Å; L155-L171 HydrophobicContact CG-CD2 4.25Å
156T96.5Very high89.5Confident8 Ų871.1 Ų71.15%0.04939%0.386CS..EExtended strand (participates in β ladder)trans-117.7123.4-180-55.70000109.5Q141 A142 C143 I158 V169 A170Q141-T156 HydrophobicContact CG-CG2 3.67Å; Q141-T156 VanDerWaalsContact NE2-CG2 3.32Å; A142-T156 CarbonylContact O-C 3.52Å; A142-T156 WeakPolarHBondContact O-CA 3.28Å; C143-T156 HydrophobicContact CB-CG2 4.2Å; C143-T156 PolarHBondContact SG-OG1 2.9Å; T156-I158 HydrophobicContact CG2-CD1 4.28Å; T156-I158 HydrophobicContact CG2-CG1 3.8Å; T156-V169 CarbonylContact O-C 3.56Å; T156-V169 VanDerWaalsContact O-CA 3.3Å; T156-V169 WeakPolarHBondContact O-CA 3.44Å; T156-A170 PolarHBondContact N-O 2.73Å; T156-A170 PolarHBondContact O-N 3.05Å
157L95.8Very high89.1Confident57 Ų5768.9 Ų68.930%0.29838%0.383SS..EExtended strand (participates in β ladder)trans-102.5124.7170.9-176.165.4000108.2Q141 A142 P160 V169Q141-L157 CarbonylContact C-O 3.43Å; Q141-L157 VanDerWaalsContact CA-O 3.28Å; Q141-L157 WeakPolarHBondContact CA-O 3.3Å; A142-L157 PolarHBondContact N-O 2.79Å; A142-L157 PolarHBondContact O-N 3.07Å; L157-P160 HydrophobicContact CD1-CB 4.08Å; L157-P160 HydrophobicContact CD2-CB 3.86Å; L157-P160 HydrophobicContact CD2-CG 3.7Å; L157-P160 HydrophobicContact CG-CB 3.94Å; L157-P160 HydrophobicContact CG-CG 3.85Å; L157-V169 HydrophobicContact CD1-CG2 3.79Å
158I93.2Very high89.1Confident35 Ų3567.2 Ų67.218%0.17938%0.379CS..EExtended strand (participates in β ladder)trans-118.8129.1-176.8-53.4171000108.2Q141 T156 M168 F188Q141-I158 HydrophobicContact CG-CG1 4.1Å; T156-I158 HydrophobicContact CG2-CD1 4.28Å; T156-I158 HydrophobicContact CG2-CG1 3.8Å; I158-M168 HydrophobicContact CB-CB 3.94Å; I158-M168 PolarHBondContact N-O 3.06Å; I158-M168 WeakPolarHBondContact O-CB 3.49Å; I158-M168 PolarHBondContact O-N 2.8Å; I158-F188 HydrophobicContact CD1-CE2 4.37Å
159N89.5Confident89.3Confident75 Ų7564 Ų6440%0.40137%0.368SS..EExtended strand (participates in β ladder)trans40.555.8176.3-61.6-22.7000114.3G139 Q140 D161G139-N159 WeakPolarHBondContact CA-OD1 3.48Å; Q140-N159 PolarHBondContact N-OD1 3.19Å; Q140-N159 WeakPolarHBondContact O-CA 3.07Å; Q140-N159 PolarHBondContact O-N 2.92Å; Q140-N159 PolarHBondContact O-OD1 3.21Å; N159-D161 PolarHBondContact O-N 3Å
160P83.8Confident89.7Confident58 Ų5859.9 Ų59.938%0.37734%0.343SS..EExtended strand (participates in β ladder)trans-68.6120.217830-34.6000110.5L157L157-P160 HydrophobicContact CD1-CB 4.08Å; L157-P160 HydrophobicContact CD2-CB 3.86Å; L157-P160 HydrophobicContact CD2-CG 3.7Å; L157-P160 HydrophobicContact CG-CB 3.94Å; L157-P160 HydrophobicContact CG-CG 3.85Å
161D83.7Confident89.9Confident56 Ų5656.3 Ų56.330%0.29933%0.331SS..EExtended strand (participates in β ladder)trans-123.193.2172-171-20.9000109.5N159 G163 R164 G165 Q166N159-D161 PolarHBondContact O-N 3Å; D161-G163 PolarHBondContact O-N 3.31Å; D161-G163 WeakPolarHBondContact OD1-CA 3.11Å; D161-G163 PolarHBondContact OD1-N 3.27Å; D161-R164 HydrophobicContact CB-CB 4.32Å; D161-R164 PolarHBondContact O-N 3.27Å; D161-R164 PolarHBondContact OD1-N 3.24Å; D161-R164 WeakPolarHBondContact OD2-CD 3.36Å; D161-R164 VanDerWaalsContact OD2-CG 3.28Å; D161-R164 WeakPolarHBondContact OD2-CG 3.4Å; D161-R164 IonicContact OD2-NE 3.58Å; D161-G165 PolarHBondContact O-N 2.91Å; D161-Q166 CarbonylContact C-O 3.53Å; D161-Q166 HydrophobicContact CB-CB 4.24Å; D161-Q166 PolarHBondContact N-O 3.02Å; D161-Q166 PolarHBondContact O-N 2.8Å
162V75.3Confident90.1Very high144 Ų14454.7 Ų54.787%0.87332%0.321SS*.THydrogen-bonded Turntrans-61.2-32.3178.7-177.80000111.3
163G78Confident90.2Very high76 Ų7656.8 Ų56.878%0.78434%0.335SS*.THydrogen-bonded Turntrans-72.3-36.2-178.100000112.7D161D161-G163 PolarHBondContact O-N 3.31Å; D161-G163 WeakPolarHBondContact OD1-CA 3.11Å; D161-G163 PolarHBondContact OD1-N 3.27Å
164R78.9Confident90.2Very high168 Ų16854.6 Ų54.663%0.63432%0.321SS*.THydrogen-bonded Turntrans-93.5-2.1178-63.8-175.1-179.7-170.8-2.9114D161 Q166 P193D161-R164 HydrophobicContact CB-CB 4.32Å; D161-R164 PolarHBondContact O-N 3.27Å; D161-R164 PolarHBondContact OD1-N 3.24Å; D161-R164 WeakPolarHBondContact OD2-CD 3.36Å; D161-R164 VanDerWaalsContact OD2-CG 3.28Å; D161-R164 WeakPolarHBondContact OD2-CG 3.4Å; D161-R164 IonicContact OD2-NE 3.58Å; R164-Q166 VanDerWaalsContact C-N 3.26Å; R164-Q166 HydrophobicContact CB-CG 3.93Å; R164-Q166 PolarHBondContact O-N 2.98Å; R164-P193 WeakPolarHBondContact O-CG 3.3Å
165G79.8Confident90.2Very high40 Ų4061.8 Ų61.841%0.41235%0.348SS..THydrogen-bonded Turntrans64.331.6-174.700000112.8D161D161-G165 PolarHBondContact O-N 2.91Å
166Q85.8Confident90.1Very high43 Ų4359 Ų5920%0.20133%0.332CS..EExtended strand (participates in β ladder)trans-103.7129.3178.1-57-177.7-38.600109.9D161 R164 C191 S192 Q194D161-Q166 CarbonylContact C-O 3.53Å; D161-Q166 HydrophobicContact CB-CB 4.24Å; D161-Q166 PolarHBondContact N-O 3.02Å; D161-Q166 PolarHBondContact O-N 2.8Å; R164-Q166 VanDerWaalsContact C-N 3.26Å; R164-Q166 HydrophobicContact CB-CG 3.93Å; R164-Q166 PolarHBondContact O-N 2.98Å; Q166-C191 WeakPolarHBondContact CA-O 3.43Å; Q166-S192 WeakPolarHBondContact CG-OG 3.48Å; Q166-S192 PolarHBondContact NE2-OG 2.97Å; Q166-Q194 VanDerWaalsContact NE2-CD 3.26Å
167C86.8Confident90Very high43 Ų4362.9 Ų62.929%0.29135%0.352SS..EExtended strand (participates in β ladder)trans-150.6129.4178.8-173.40000109.7V169 Q190 C191C167-V169 VanDerWaalsContact SG-CG2 3.58Å; C167-Q190 WeakPolarHBondContact O-CA 3.22Å; C167-C191 PolarHBondContact N-O 2.91Å; C167-C191 PolarHBondContact O-N 3.32Å
168M92.6Very high89.8Confident45 Ų4563.6 Ų63.622%0.22236%0.359CS..EExtended strand (participates in β ladder)trans-119.9127172.5-64.9164.873.100108.7I158 F188 Y189 Q190I158-M168 HydrophobicContact CB-CB 3.94Å; I158-M168 PolarHBondContact N-O 3.06Å; I158-M168 WeakPolarHBondContact O-CB 3.49Å; I158-M168 PolarHBondContact O-N 2.8Å; M168-F188 HydrophobicContact CE-CE2 4.35Å; M168-F188 HydrophobicContact CE-CZ 3.59Å; M168-Y189 CarbonylContact C-O 3.58Å; M168-Y189 WeakPolarHBondContact CA-O 3.22Å; M168-Q190 HydrophobicContact CG-CB 4.04Å; M168-Q190 HydrophobicContact CG-CG 3.69Å; M168-Q190 HydrophobicContact SD-CG 4.5Å
169V95.3Very high89.6Confident32 Ų3269.8 Ų69.819%0.19438%0.384CS..EExtended strand (participates in β ladder)trans-131.7131.3-176.6-175.10000109.1L155 T156 L157 C167 F188 Y189L155-V169 HydrophobicContact CD1-CG1 3.49Å; L155-V169 VanDerWaalsContact CD1-CG1 3.49Å; T156-V169 CarbonylContact O-C 3.56Å; T156-V169 VanDerWaalsContact O-CA 3.3Å; T156-V169 WeakPolarHBondContact O-CA 3.44Å; L157-V169 HydrophobicContact CD1-CG2 3.79Å; C167-V169 VanDerWaalsContact SG-CG2 3.58Å; V169-F188 WeakPolarHBondContact O-CA 3.32Å; V169-Y189 PolarHBondContact N-O 3.15Å; V169-Y189 PolarHBondContact O-N 2.88Å
170A96Very high89.8Confident25 Ų2570.5 Ų70.521%0.20738%0.381CS..EExtended strand (participates in β ladder)trans-116.7124.9169.500000109.6L155 T156 F187 F188L155-A170 WeakPolarHBondContact CA-O 3.15Å; T156-A170 PolarHBondContact N-O 2.73Å; T156-A170 PolarHBondContact O-N 3.05Å; A170-F187 CarbonylContact C-O 3.54Å; A170-F187 WeakPolarHBondContact CA-O 3.45Å; A170-F188 HydrophobicContact CB-CD2 4.03Å
171L97.7Very high90.3Very high78 Ų7870 Ų7041%0.40838%0.375SS..EExtended strand (participates in β ladder)trans-108.2130.4171.3-73.8169.2000108.1S154 L155 A186 F187S154-L171 WeakPolarHBondContact O-CA 3.21Å; L155-L171 HydrophobicContact CB-CD2 4.04Å; L155-L171 HydrophobicContact CD1-CD2 3.44Å; L155-L171 VanDerWaalsContact CD1-CD2 3.44Å; L155-L171 HydrophobicContact CD1-CG 4.12Å; L155-L171 HydrophobicContact CG-CD2 4.25Å; L171-A186 CarbonylContact O-C 3.56Å; L171-A186 WeakPolarHBondContact O-CA 3.37Å; L171-F187 HydrophobicContact CB-CB 4.45Å; L171-F187 HydrophobicContact CD1-CD1 4.48Å; L171-F187 PolarHBondContact N-O 3.09Å; L171-F187 PolarHBondContact O-N 2.96Å
172D97.6Very high90.9Very high8 Ų867.4 Ų67.44%0.04336%0.361CS..EExtended strand (participates in β ladder)trans-132129.9177.1-170.1-63.5000109T34 V35 E36 T153 S154 A186T34-D172 WeakPolarHBondContact CA-OD1 3.25Å; T34-D172 WeakPolarHBondContact CB-OD1 3.33Å; V35-D172 WeakPolarHBondContact CA-OD2 3.48Å; V35-D172 VanDerWaalsContact CB-OD2 3.25Å; V35-D172 WeakPolarHBondContact CB-OD2 3.48Å; V35-D172 PolarHBondContact N-OD1 2.87Å; V35-D172 VanDerWaalsContact N-OD1 3.1Å; V35-D172 PolarHBondContact N-OD2 2.93Å; E36-D172 PolarHBondContact N-OD2 2.83Å; T153-D172 CarbonylContact C-O 3.58Å; T153-D172 WeakPolarHBondContact CA-O 3.33Å; S154-D172 PolarHBondContact N-O 3.08Å; S154-D172 PolarHBondContact O-N 3.43Å; S154-D172 WeakPolarHBondContact OG-CB 3.26Å; D172-A186 HydrophobicContact CB-CB 4.44Å
173V97.5Very high92Very high63 Ų6364.1 Ų64.138%0.38234%0.338SS..EExtended strand (participates in β ladder)trans-131.7118.3174.4-177.80000108.3T153 G184 S185T153-V173 HydrophobicContact CG2-CG2 3.89Å; V173-G184 CarbonylContact O-C 3.58Å; V173-G184 WeakPolarHBondContact O-CA 3.47Å; V173-S185 PolarHBondContact N-O 2.58Å; V173-S185 PolarHBondContact O-N 3.01Å
174M96.5Very high92.9Very high0 Ų061.1 Ų61.10%031%0.307CS..EExtended strand (participates in β ladder)trans-122.9134.3177.1-164.978.3-178.800110P32 G33 V35 I38 V151 Q152 A182 L183 G184 K208P32-M174 HydrophobicContact CB-CB 4.32Å; P32-M174 HydrophobicContact CB-CG 3.73Å; P32-M174 HydrophobicContact CG-CB 4.49Å; P32-M174 HydrophobicContact CG-CG 4.42Å; G33-M174 WeakPolarHBondContact O-CB 3.21Å; G33-M174 WeakPolarHBondContact O-CG 3.38Å; V35-M174 HydrophobicContact CG2-SD 3.88Å; I38-M174 HydrophobicContact CG2-CE 3.75Å; I38-M174 HydrophobicContact CG2-SD 4.27Å; V151-M174 WeakPolarHBondContact CA-O 3.25Å; Q152-M174 PolarHBondContact N-O 2.81Å; Q152-M174 PolarHBondContact O-N 2.81Å; M174-A182 HydrophobicContact CE-CB 3.48Å; M174-A182 VanDerWaalsContact CE-CB 3.48Å; M174-A182 WeakPolarHBondContact CE-O 3.25Å; M174-L183 VanDerWaalsContact SD-C 3.52Å; M174-G184 WeakPolarHBondContact SD-CA 3.33Å; M174-G184 PolarHBondContact SD-N 3.07Å; M174-G184 VanDerWaalsContact SD-N 3.4Å; M174-K208 HydrophobicContact CE-CB 4.05Å
175R96.1Very high93.8Very high159 Ų15955.5 Ų55.560%0.629%0.294SS*.EExtended strand (participates in β ladder)trans-131.2132.6-179-173.1175177.2169.2-1.7111.4K150 I177 A182 L183K150-R175 WeakPolarHBondContact O-CA 3.28Å; K150-R175 WeakPolarHBondContact O-CG 3.34Å; R175-I177 HydrophobicContact CB-CD1 4.28Å; R175-I177 HydrophobicContact CG-CD1 4.1Å; R175-I177 PolarHBondContact O-N 2.86Å; R175-A182 CarbonylContact O-C 3.52Å; R175-A182 VanDerWaalsContact O-CA 3.3Å; R175-A182 WeakPolarHBondContact O-CA 3.28Å; R175-L183 PolarHBondContact N-O 3.37Å; R175-L183 PolarHBondContact O-N 2.87Å
176Q94.6Very high94.6Very high25 Ų2554.4 Ų54.412%0.11728%0.281CS..EExtended strand (participates in β ladder)trans-74.7110.1169.7-165.169.840.400108.9P32 K150 T178 L181P32-Q176 HydrophobicContact CB-CB 4.29Å; K150-Q176 HydrophobicContact CB-CB 4.42Å; K150-Q176 PolarHBondContact O-N 2.71Å; Q176-T178 WeakPolarHBondContact CG-O 3.45Å; Q176-T178 PolarHBondContact NE2-O 2.83Å; Q176-L181 PolarHBondContact NE2-O 2.76Å
177I94.7Very high95.2Very high91 Ų9154.9 Ų54.947%0.46728%0.282SS..  trans-86.5-47.6-177-55.4-57.9000110.5R175 L181 L183R175-I177 HydrophobicContact CB-CD1 4.28Å; R175-I177 HydrophobicContact CG-CD1 4.1Å; R175-I177 PolarHBondContact O-N 2.86Å; I177-L181 PolarHBondContact N-O 2.84Å; I177-L183 HydrophobicContact CG1-CB 4.06Å; I177-L183 HydrophobicContact CG1-CD1 4Å; I177-L183 HydrophobicContact CG1-CG 3.9Å
178T93.3Very high95.5Very high72 Ų7255.7 Ų55.744%0.44228%0.281SS..SBendtrans-124.1177.717474.30000109.2Q176 R180 L181Q176-T178 WeakPolarHBondContact CG-O 3.45Å; Q176-T178 PolarHBondContact NE2-O 2.83Å; T178-R180 PolarHBondContact O-N 3.34Å; T178-R180 PolarHBondContact OG1-N 2.82Å; T178-L181 HydrophobicContact CG2-CB 4.45Å; T178-L181 PolarHBondContact N-O 2.78Å; T178-L181 VanDerWaalsContact N-O 3.08Å; T178-L181 WeakPolarHBondContact OG1-CB 3.38Å; T178-L181 PolarHBondContact OG1-N 3.03Å
179K88.9Confident95.6Very high165 Ų16556.9 Ų56.972%0.71728%0.283SS*.SBendtrans-58.9-21.3175.8-65.5-175.5179.5-177.50113.8
180R92.7Very high95.5Very high90 Ų9057.8 Ų57.834%0.3429%0.286SS..SBendtrans-117.3-27.9-173.5-64.9-172.8179.9175.9-1.9113.8D25 T178 Y209 T210D25-R180 IonicContact OD1-CZ 3.92Å; D25-R180 IonicContact OD1-NE 4Å; D25-R180 IonicContact OD1-NH2 2.97Å; D25-R180 PolarHBondContact OD1-NH2 2.92Å; T178-R180 PolarHBondContact O-N 3.34Å; T178-R180 PolarHBondContact OG1-N 2.82Å; R180-Y209 HydrophobicContact CB-CE1 4.35Å; R180-Y209 HydrophobicContact CB-CE2 4.1Å; R180-Y209 CarbonylContact O-C 3.54Å; R180-Y209 WeakPolarHBondContact O-CA 3.28Å; R180-T210 WeakPolarHBondContact CB-O 3.37Å; R180-T210 VanDerWaalsContact CG-O 3.31Å; R180-T210 WeakPolarHBondContact CG-O 3.32Å; R180-T210 PolarHBondContact O-N 2.97Å
181L95Very high95.1Very high48 Ų4858.5 Ų58.525%0.25129%0.289SS..EExtended strand (participates in β ladder)trans-104125.9-177.2-178.367000111.1Q176 I177 T178 L183 K208 Y209Q176-L181 PolarHBondContact NE2-O 2.76Å; I177-L181 PolarHBondContact N-O 2.84Å; T178-L181 HydrophobicContact CG2-CB 4.45Å; T178-L181 PolarHBondContact N-O 2.78Å; T178-L181 VanDerWaalsContact N-O 3.08Å; T178-L181 WeakPolarHBondContact OG1-CB 3.38Å; T178-L181 PolarHBondContact OG1-N 3.03Å; L181-L183 HydrophobicContact CD1-CD2 4.04Å; L181-L183 HydrophobicContact CD2-CD2 4.5Å; L181-L183 HydrophobicContact CD2-CG 4.46Å; L181-L183 HydrophobicContact CG-CD2 4.3Å; L181-L183 HydrophobicContact CG-CG 4.33Å; L181-K208 WeakPolarHBondContact CA-O 3.19Å; L181-Y209 HydrophobicContact CB-CD2 4.27Å; L181-Y209 HydrophobicContact CD1-CD2 4.2Å
182A96.4Very high94.6Very high0 Ų055 Ų550%027%0.271CS..EExtended strand (participates in β ladder)trans-117.5139.5166.500000109.6P32 M174 R175 A207 K208P32-A182 HydrophobicContact CB-CB 4.05Å; M174-A182 HydrophobicContact CE-CB 3.48Å; M174-A182 VanDerWaalsContact CE-CB 3.48Å; M174-A182 WeakPolarHBondContact CE-O 3.25Å; R175-A182 CarbonylContact O-C 3.52Å; R175-A182 VanDerWaalsContact O-CA 3.3Å; R175-A182 WeakPolarHBondContact O-CA 3.28Å; A182-A207 WeakPolarHBondContact O-CA 3.44Å; A182-K208 HydrophobicContact CB-CB 4.48Å; A182-K208 PolarHBondContact N-O 3.42Å; A182-K208 PolarHBondContact O-N 2.81Å
183L97.8Very high93.9Very high76 Ų7659 Ų5940%0.39830%0.297SS..EExtended strand (participates in β ladder)trans-124.9147.7175.8-61.7-179.8000108.9M174 R175 I177 L181 G206 A207M174-L183 VanDerWaalsContact SD-C 3.52Å; R175-L183 PolarHBondContact N-O 3.37Å; R175-L183 PolarHBondContact O-N 2.87Å; I177-L183 HydrophobicContact CG1-CB 4.06Å; I177-L183 HydrophobicContact CG1-CD1 4Å; I177-L183 HydrophobicContact CG1-CG 3.9Å; L181-L183 HydrophobicContact CD1-CD2 4.04Å; L181-L183 HydrophobicContact CD2-CD2 4.5Å; L181-L183 HydrophobicContact CD2-CG 4.46Å; L181-L183 HydrophobicContact CG-CD2 4.3Å; L181-L183 HydrophobicContact CG-CG 4.33Å; L183-G206 CarbonylContact C-O 3.53Å; L183-G206 WeakPolarHBondContact CA-O 3.38Å; L183-A207 HydrophobicContact CD2-CB 3.5Å; L183-A207 VanDerWaalsContact CD2-CB 3.5Å
184G97.3Very high93.2Very high12 Ų1262.3 Ų62.312%0.12431%0.309CS..EExtended strand (participates in β ladder)trans-153.4166.1176.500000113.3V173 M174 G206V173-G184 CarbonylContact O-C 3.58Å; V173-G184 WeakPolarHBondContact O-CA 3.47Å; M174-G184 WeakPolarHBondContact SD-CA 3.33Å; M174-G184 PolarHBondContact SD-N 3.07Å; M174-G184 VanDerWaalsContact SD-N 3.4Å; G184-G206 PolarHBondContact N-O 2.83Å; G184-G206 PolarHBondContact O-N 3.42Å
185S97.9Very high92.6Very high50 Ų5064 Ų6435%0.3532%0.318SS..EExtended strand (participates in β ladder)trans-130.1142.4172.5540000109.1V173 S204V173-S185 PolarHBondContact N-O 2.58Å; V173-S185 PolarHBondContact O-N 3.01Å; S185-S204 CarbonylContact C-O 3.53Å; S185-S204 VanDerWaalsContact CA-O 3.29Å; S185-S204 WeakPolarHBondContact CA-O 3.49Å
186A97Very high91.9Very high18 Ų1863.4 Ų63.415%0.14933%0.334CS..EExtended strand (participates in β ladder)trans-125.8142.817100000109.7V35 L171 D172 S204V35-A186 HydrophobicContact CB-CB 4.13Å; V35-A186 HydrophobicContact CG1-CB 4.35Å; V35-A186 HydrophobicContact CG2-CB 4.41Å; L171-A186 CarbonylContact O-C 3.56Å; L171-A186 WeakPolarHBondContact O-CA 3.37Å; D172-A186 HydrophobicContact CB-CB 4.44Å; A186-S204 PolarHBondContact N-O 3.49Å; A186-S204 PolarHBondContact O-N 3.01Å
187F96.7Very high91.4Very high53 Ų5366.1 Ų66.123%0.23236%0.361CS..EExtended strand (participates in β ladder)trans-126120.5174178.6-119.5000108.8A170 L171 Y189 V202 F203A170-F187 CarbonylContact C-O 3.54Å; A170-F187 WeakPolarHBondContact CA-O 3.45Å; L171-F187 HydrophobicContact CB-CB 4.45Å; L171-F187 HydrophobicContact CD1-CD1 4.48Å; L171-F187 PolarHBondContact N-O 3.09Å; L171-F187 PolarHBondContact O-N 2.96Å; F187-Y189 HydrophobicContact CE1-CD2 4.39Å; F187-Y189 HydrophobicContact CE1-CG 4.27Å; F187-Y189 HydrophobicContact CZ-CD2 4.06Å; F187-Y189 HydrophobicContact CZ-CG 4.35Å; F187-V202 WeakPolarHBondContact CA-O 3.49Å; F187-F203 HydrophobicContact CB-CD1 4Å; F187-F203 HydrophobicContact CB-CE1 3.82Å; F187-F203 HydrophobicContact CB-CZ 4.5Å; F187-F203 AromaticContact CD2-CD1 3.58Å; F187-F203 HydrophobicContact CD2-CD1 3.58Å; F187-F203 AromaticContact CD2-CD2 3.67Å; F187-F203 HydrophobicContact CD2-CD2 3.67Å; F187-F203 AromaticContact CD2-CE1 3.36Å; F187-F203 HydrophobicContact CD2-CE1 3.36Å; F187-F203 AromaticContact CD2-CE2 3.44Å; F187-F203 HydrophobicContact CD2-CE2 3.44Å; F187-F203 VanDerWaalsContact CD2-CE2 3.44Å; F187-F203 AromaticContact CD2-CG 3.74Å; F187-F203 HydrophobicContact CD2-CG 3.74Å; F187-F203 AromaticContact CD2-CZ 3.28Å; F187-F203 HydrophobicContact CD2-CZ 3.28Å; F187-F203 HydrophobicContact CE2-CD1 4.44Å; F187-F203 AromaticContact CE2-CD2 3.77Å; F187-F203 HydrophobicContact CE2-CD2 3.77Å; F187-F203 HydrophobicContact CE2-CE1 4.04Å; F187-F203 AromaticContact CE2-CE2 3.3Å; F187-F203 HydrophobicContact CE2-CE2 3.3Å; F187-F203 HydrophobicContact CE2-CG 4.32Å; F187-F203 AromaticContact CE2-CZ 3.45Å; F187-F203 HydrophobicContact CE2-CZ 3.45Å; F187-F203 VanDerWaalsContact CE2-CZ 3.45Å; F187-F203 HydrophobicContact CG-CD1 4.11Å; F187-F203 AromaticContact CG-CE1 3.68Å; F187-F203 HydrophobicContact CG-CE1 3.68Å; F187-F203 HydrophobicContact CG-CE2 4.44Å; F187-F203 AromaticContact CG-CZ 3.87Å; F187-F203 HydrophobicContact CG-CZ 3.87Å; F187-F203 HydrophobicContact CZ-CE2 4.2Å; F187-F203 HydrophobicContact CZ-CZ 4.14Å
188F94.9Very high90.9Very high60 Ų6063.1 Ų63.126%0.26335%0.352SS..EExtended strand (participates in β ladder)trans-106.7126.3173.8-178.4-94.8000108.7I158 M168 V169 A170 Q190 G201 V202I158-F188 HydrophobicContact CD1-CE2 4.37Å; M168-F188 HydrophobicContact CE-CE2 4.35Å; M168-F188 HydrophobicContact CE-CZ 3.59Å; V169-F188 WeakPolarHBondContact O-CA 3.32Å; A170-F188 HydrophobicContact CB-CD2 4.03Å; F188-Q190 HydrophobicContact CE1-CB 4.02Å; F188-G201 CarbonylContact O-C 3.57Å; F188-G201 WeakPolarHBondContact O-CA 3.39Å; F188-V202 HydrophobicContact CB-CB 4.33Å; F188-V202 PolarHBondContact N-O 3.05Å; F188-V202 PolarHBondContact O-N 2.79Å
189Y93.8Very high90.6Very high69 Ų6964.9 Ų64.927%0.27136%0.355SS..EExtended strand (participates in β ladder)trans-126.7131.3179.8179.3-105.6000109.8M168 V169 F187 C191 Q199 D200M168-Y189 CarbonylContact C-O 3.58Å; M168-Y189 WeakPolarHBondContact CA-O 3.22Å; V169-Y189 PolarHBondContact N-O 3.15Å; V169-Y189 PolarHBondContact O-N 2.88Å; F187-Y189 HydrophobicContact CE1-CD2 4.39Å; F187-Y189 HydrophobicContact CE1-CG 4.27Å; F187-Y189 HydrophobicContact CZ-CD2 4.06Å; F187-Y189 HydrophobicContact CZ-CG 4.35Å; Y189-C191 HydrophobicContact CE1-CB 3.9Å; Y189-Q199 HydrophobicContact CE2-CB 3.95Å; Y189-Q199 PolarHBondContact OH-OE1 3.04Å; Y189-D200 WeakPolarHBondContact CA-O 3.47Å; Y189-D200 WeakPolarHBondContact CD2-O 3.28Å
190Q92.6Very high90.7Very high51 Ų5160.6 Ų60.624%0.23834%0.341CS..EExtended strand (participates in β ladder)trans-129.5119.2177.1174.2168.1-2.900109.1C167 M168 F188 L195 Q199 D200C167-Q190 WeakPolarHBondContact O-CA 3.22Å; M168-Q190 HydrophobicContact CG-CB 4.04Å; M168-Q190 HydrophobicContact CG-CG 3.69Å; M168-Q190 HydrophobicContact SD-CG 4.5Å; F188-Q190 HydrophobicContact CE1-CB 4.02Å; Q190-L195 HydrophobicContact CG-CD1 4.22Å; Q190-L195 HydrophobicContact CG-CD2 4.1Å; Q190-Q199 CarbonylContact O-C 3.47Å; Q190-Q199 WeakPolarHBondContact O-CA 3.32Å; Q190-D200 PolarHBondContact N-O 3.34Å; Q190-D200 PolarHBondContact O-N 3.33Å
191C89.1Confident90.6Very high41 Ų4157.9 Ų57.928%0.27734%0.34SS..EExtended strand (participates in β ladder)trans-106.3126.3167.8-175.10000108.2Q166 C167 Y189Q166-C191 WeakPolarHBondContact CA-O 3.43Å; C167-C191 PolarHBondContact N-O 2.91Å; C167-C191 PolarHBondContact O-N 3.32Å; Y189-C191 HydrophobicContact CE1-CB 3.9Å
192S86.9Confident90.5Very high5 Ų556 Ų564%0.03533%0.331CS..  trans-158.5138173.1-1670000110.9Q166 Q194 L195 G198Q166-S192 WeakPolarHBondContact CG-OG 3.48Å; Q166-S192 PolarHBondContact NE2-OG 2.97Å; S192-Q194 PolarHBondContact O-N 2.89Å; S192-Q194 PolarHBondContact OG-OE1 3.37Å; S192-L195 WeakPolarHBondContact O-CB 3.38Å; S192-L195 PolarHBondContact O-N 3.02Å; S192-G198 CarbonylContact C-O 3.56Å; S192-G198 PolarHBondContact N-O 3.23Å; S192-G198 CarbonylContact O-C 3.58Å; S192-G198 VanDerWaalsContact O-O 3.06Å
193P83Confident90.5Very high90 Ų9060.1 Ų60.158%0.58435%0.349SS*.THydrogen-bonded Turntrans-59-17.6175.4-2534.4000115R164R164-P193 WeakPolarHBondContact O-CG 3.3Å
194Q82.1Confident90.4Very high134 Ų13457 Ų5763%0.62633%0.334SS*.THydrogen-bonded Turntrans-85.6-8.7176.4-53.490.823.800113.9Q166 S192Q166-Q194 VanDerWaalsContact NE2-CD 3.26Å; S192-Q194 PolarHBondContact O-N 2.89Å; S192-Q194 PolarHBondContact OG-OE1 3.37Å
195L84.3Confident90.4Very high36 Ų3660.9 Ų60.919%0.18835%0.347CS..SBendtrans-76.5141.3174.4-95.170.1000109.9Q190 S192 A197 G198 D200Q190-L195 HydrophobicContact CG-CD1 4.22Å; Q190-L195 HydrophobicContact CG-CD2 4.1Å; S192-L195 WeakPolarHBondContact O-CB 3.38Å; S192-L195 PolarHBondContact O-N 3.02Å; L195-A197 VanDerWaalsContact C-N 3.25Å; L195-A197 PolarHBondContact O-N 2.93Å; L195-A197 VanDerWaalsContact O-N 3.16Å; L195-G198 PolarHBondContact O-N 3.29Å; L195-D200 HydrophobicContact CD2-CB 3.43Å; L195-D200 VanDerWaalsContact CD2-CB 3.43Å
196P81.7Confident90.4Very high145 Ų14558.7 Ų58.794%0.94233%0.333SS*.THydrogen-bonded Turntrans-55.3-36.6-177.5-27.534.4000114.6
197A82.7Confident90.4Very high83 Ų8359.5 Ų59.569%0.68634%0.339SS*.THydrogen-bonded Turntrans-99.67.9177.200000113.2L195 Q199L195-A197 VanDerWaalsContact C-N 3.25Å; L195-A197 PolarHBondContact O-N 2.93Å; L195-A197 VanDerWaalsContact O-N 3.16Å; A197-Q199 PolarHBondContact O-N 2.97Å
198G84.4Confident90.4Very high28 Ų2857.8 Ų57.829%0.28933%0.332SS..SBendtrans72-22.8-172.300000114.8S192 L195S192-G198 CarbonylContact C-O 3.56Å; S192-G198 PolarHBondContact N-O 3.23Å; S192-G198 CarbonylContact O-C 3.58Å; S192-G198 VanDerWaalsContact O-O 3.06Å; L195-G198 PolarHBondContact O-N 3.29Å
199Q88.2Confident90.4Very high108 Ų10859.1 Ų59.151%0.50534%0.336SS..EExtended strand (participates in β ladder)trans-144.6153.1177.862.4-176-8.900111.6Y189 Q190 A197Y189-Q199 HydrophobicContact CE2-CB 3.95Å; Y189-Q199 PolarHBondContact OH-OE1 3.04Å; Q190-Q199 CarbonylContact O-C 3.47Å; Q190-Q199 WeakPolarHBondContact O-CA 3.32Å; A197-Q199 PolarHBondContact O-N 2.97Å
200D90Very high90.4Very high76 Ų7657 Ų5741%0.40633%0.33SS..EExtended strand (participates in β ladder)trans-137.3147.5170.6-174.628.5000109.8Y189 Q190 L195Y189-D200 WeakPolarHBondContact CA-O 3.47Å; Y189-D200 WeakPolarHBondContact CD2-O 3.28Å; Q190-D200 PolarHBondContact N-O 3.34Å; Q190-D200 PolarHBondContact O-N 3.33Å; L195-D200 HydrophobicContact CD2-CB 3.43Å; L195-D200 VanDerWaalsContact CD2-CB 3.43Å
201G92.2Very high90.4Very high32 Ų3255.6 Ų55.633%0.3333%0.326SS..EExtended strand (participates in β ladder)trans-145.3126.3-173.200000110.9F188F188-G201 CarbonylContact O-C 3.57Å; F188-G201 WeakPolarHBondContact O-CA 3.39Å
202V92.5Very high90.4Very high9 Ų956.5 Ų56.56%0.05533%0.332CS..EExtended strand (participates in β ladder)trans-126.1116.4-174.4-175.70000109.8F187 F188 R221 Q224F187-V202 WeakPolarHBondContact CA-O 3.49Å; F188-V202 HydrophobicContact CB-CB 4.33Å; F188-V202 PolarHBondContact N-O 3.05Å; F188-V202 PolarHBondContact O-N 2.79Å; V202-R221 HydrophobicContact CG1-CB 4.46Å; V202-R221 HydrophobicContact CG1-CG 4.5Å; V202-Q224 VanDerWaalsContact CG1-CD 3.49Å; V202-Q224 HydrophobicContact CG1-CG 4.24Å; V202-Q224 HydrophobicContact CG2-CG 4.48Å
203F95.6Very high90.6Very high87 Ų8760.8 Ų60.838%0.38235%0.352SS..EExtended strand (participates in β ladder)trans-93.2130.2169.8-75.2-82.6000110.7F187 R221 W223F187-F203 HydrophobicContact CB-CD1 4Å; F187-F203 HydrophobicContact CB-CE1 3.82Å; F187-F203 HydrophobicContact CB-CZ 4.5Å; F187-F203 AromaticContact CD2-CD1 3.58Å; F187-F203 HydrophobicContact CD2-CD1 3.58Å; F187-F203 AromaticContact CD2-CD2 3.67Å; F187-F203 HydrophobicContact CD2-CD2 3.67Å; F187-F203 AromaticContact CD2-CE1 3.36Å; F187-F203 HydrophobicContact CD2-CE1 3.36Å; F187-F203 AromaticContact CD2-CE2 3.44Å; F187-F203 HydrophobicContact CD2-CE2 3.44Å; F187-F203 VanDerWaalsContact CD2-CE2 3.44Å; F187-F203 AromaticContact CD2-CG 3.74Å; F187-F203 HydrophobicContact CD2-CG 3.74Å; F187-F203 AromaticContact CD2-CZ 3.28Å; F187-F203 HydrophobicContact CD2-CZ 3.28Å; F187-F203 HydrophobicContact CE2-CD1 4.44Å; F187-F203 AromaticContact CE2-CD2 3.77Å; F187-F203 HydrophobicContact CE2-CD2 3.77Å; F187-F203 HydrophobicContact CE2-CE1 4.04Å; F187-F203 AromaticContact CE2-CE2 3.3Å; F187-F203 HydrophobicContact CE2-CE2 3.3Å; F187-F203 HydrophobicContact CE2-CG 4.32Å; F187-F203 AromaticContact CE2-CZ 3.45Å; F187-F203 HydrophobicContact CE2-CZ 3.45Å; F187-F203 VanDerWaalsContact CE2-CZ 3.45Å; F187-F203 HydrophobicContact CG-CD1 4.11Å; F187-F203 AromaticContact CG-CE1 3.68Å; F187-F203 HydrophobicContact CG-CE1 3.68Å; F187-F203 HydrophobicContact CG-CE2 4.44Å; F187-F203 AromaticContact CG-CZ 3.87Å; F187-F203 HydrophobicContact CG-CZ 3.87Å; F187-F203 HydrophobicContact CZ-CE2 4.2Å; F187-F203 HydrophobicContact CZ-CZ 4.14Å; F203-R221 WeakPolarHBondContact O-CA 3.49Å; F203-W223 HydrophobicContact CB-CE3 3.95Å; F203-W223 HydrophobicContact CB-CZ3 3.73Å; F203-W223 HydrophobicContact CD2-CE3 4.42Å; F203-W223 HydrophobicContact CD2-CH2 4.49Å; F203-W223 HydrophobicContact CD2-CZ3 4.15Å; F203-W223 HydrophobicContact CG-CZ3 4.22Å
204S96.2Very high91.2Very high11 Ų1160.6 Ų60.68%0.07734%0.339CS..EExtended strand (participates in β ladder)trans-122139.4175.9-50.70000109.6S185 A186 I220 R221S185-S204 CarbonylContact C-O 3.53Å; S185-S204 VanDerWaalsContact CA-O 3.29Å; S185-S204 WeakPolarHBondContact CA-O 3.49Å; A186-S204 PolarHBondContact N-O 3.49Å; A186-S204 PolarHBondContact O-N 3.01Å; S204-I220 CarbonylContact C-O 3.47Å; S204-I220 WeakPolarHBondContact CA-O 3.39Å; S204-R221 WeakPolarHBondContact OG-CD 3.48Å; S204-R221 WeakPolarHBondContact OG-CG 3.23Å; S204-R221 PolarHBondContact OG-NE 3.04Å
205F97.5Very high91.8Very high92 Ų9255 Ų5540%0.40431%0.313SS..EExtended strand (participates in β ladder)trans-118.4126.6171.6-60.2-80.2000108.9T219 I220 P222F205-T219 CarbonylContact O-C 3.46Å; F205-T219 VanDerWaalsContact O-CA 3.26Å; F205-T219 WeakPolarHBondContact O-CA 3.35Å; F205-I220 HydrophobicContact CB-CD1 4.46Å; F205-I220 HydrophobicContact CB-CG1 3.91Å; F205-I220 HydrophobicContact CD2-CG1 4.43Å; F205-I220 PolarHBondContact N-O 2.97Å; F205-I220 PolarHBondContact O-N 3.35Å; F205-P222 HydrophobicContact CD2-CG 4.07Å; F205-P222 HydrophobicContact CE2-CG 4.06Å
206G97.1Very high92.4Very high5 Ų554 Ų545%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-114.9141-178.900000111.7L183 G184 A218L183-G206 CarbonylContact C-O 3.53Å; L183-G206 WeakPolarHBondContact CA-O 3.38Å; G184-G206 PolarHBondContact N-O 2.83Å; G184-G206 PolarHBondContact O-N 3.42Å; G206-A218 CarbonylContact C-O 3.59Å; G206-A218 WeakPolarHBondContact CA-O 3.49Å
207A97.5Very high93.2Very high34 Ų3447.5 Ų47.528%0.28127%0.27SS..EExtended strand (participates in β ladder)trans-130.5134.6170.700000109.3A182 L183 A217 A218A182-A207 WeakPolarHBondContact O-CA 3.44Å; L183-A207 HydrophobicContact CD2-CB 3.5Å; L183-A207 VanDerWaalsContact CD2-CB 3.5Å; A207-A217 CarbonylContact O-C 3.53Å; A207-A217 WeakPolarHBondContact O-CA 3.41Å; A207-A218 PolarHBondContact N-O 2.72Å; A207-A218 PolarHBondContact O-N 2.76Å
208K96.1Very high93.9Very high17 Ų1745.7 Ų45.77%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-126.4124.7175.4-175.7179.874.8-176.70109P32 I38 M174 L181 A182 Q215 A217P32-K208 PolarHBondContact O-NZ 2.68Å; I38-K208 HydrophobicContact CB-CB 4.21Å; I38-K208 HydrophobicContact CB-CD 4.25Å; I38-K208 HydrophobicContact CG2-CB 4.11Å; I38-K208 HydrophobicContact CG2-CD 4.27Å; M174-K208 HydrophobicContact CE-CB 4.05Å; L181-K208 WeakPolarHBondContact CA-O 3.19Å; A182-K208 HydrophobicContact CB-CB 4.48Å; A182-K208 PolarHBondContact N-O 3.42Å; A182-K208 PolarHBondContact O-N 2.81Å; K208-Q215 HydrophobicContact CG-CG 4.17Å; K208-A217 HydrophobicContact CB-CB 4.42Å; K208-A217 HydrophobicContact CG-CB 4.42Å
209Y95.7Very high94.5Very high89 Ų8944.5 Ų44.535%0.34924%0.242SC..EExtended strand (participates in β ladder)trans-114116.2172.1-167.3-82.3000109.3R180 L181 W214 Q215 G216R180-Y209 HydrophobicContact CB-CE1 4.35Å; R180-Y209 HydrophobicContact CB-CE2 4.1Å; R180-Y209 CarbonylContact O-C 3.54Å; R180-Y209 WeakPolarHBondContact O-CA 3.28Å; L181-Y209 HydrophobicContact CB-CD2 4.27Å; L181-Y209 HydrophobicContact CD1-CD2 4.2Å; Y209-W214 AromaticContact CD1-CH2 3.2Å; Y209-W214 HydrophobicContact CD1-CH2 3.2Å; Y209-W214 AromaticContact CD1-CZ2 3.77Å; Y209-W214 HydrophobicContact CD1-CZ2 3.77Å; Y209-W214 AromaticContact CD1-CZ3 3.7Å; Y209-W214 HydrophobicContact CD1-CZ3 3.7Å; Y209-W214 AromaticContact CE1-CH2 3.57Å; Y209-W214 HydrophobicContact CE1-CH2 3.57Å; Y209-W214 AromaticContact CE1-CZ2 3.66Å; Y209-W214 HydrophobicContact CE1-CZ2 3.66Å; Y209-W214 HydrophobicContact CE1-CZ3 4.44Å; Y209-W214 HydrophobicContact CG-CH2 4.11Å; Y209-W214 HydrophobicContact CG-CZ3 4.47Å; Y209-Q215 WeakPolarHBondContact O-CA 3.36Å; Y209-G216 PolarHBondContact N-O 2.83Å; Y209-G216 PolarHBondContact O-N 3.03Å
210T93.6Very high94.9Very high23 Ų2343 Ų4314%0.14124%0.237CC..EExtended strand (participates in β ladder)trans-110.3120.9-179.1-53.20000108.9R180 Q215R180-T210 WeakPolarHBondContact CB-O 3.37Å; R180-T210 VanDerWaalsContact CG-O 3.31Å; R180-T210 WeakPolarHBondContact CG-O 3.32Å; R180-T210 PolarHBondContact O-N 2.97Å; T210-Q215 PolarHBondContact OG1-OE1 3.17Å
211S92.6Very high95.1Very high23 Ų2343.3 Ų43.316%0.16123%0.232CC..  trans-108.2-175.7170.8-163.60000109.9W214S211-W214 WeakPolarHBondContact CA-O 3.39Å; S211-W214 WeakPolarHBondContact CB-O 3.47Å; S211-W214 PolarHBondContact N-O 3.18Å; S211-W214 PolarHBondContact OG-NE1 2.88Å
212S88.5Confident95Very high59 Ų5944.4 Ų44.441%0.41323%0.234SC..SBendtrans-65-44.1179.447.60000113.2
213H92.1Very high94.8Very high95 Ų9552.5 Ų52.544%0.4426%0.263SS..SBendtrans-117.3-2.6-174.3-44.5108.8000113.9Q234H213-Q234 PolarHBondContact O-N 2.76Å
214W94.4Very high94.4Very high86 Ų8650.7 Ų50.733%0.32626%0.256SS..EExtended strand (participates in β ladder)trans-145.6155.7-179.367.6-94.8000111.8Y209 S211 F231 H232 I233Y209-W214 AromaticContact CD1-CH2 3.2Å; Y209-W214 HydrophobicContact CD1-CH2 3.2Å; Y209-W214 AromaticContact CD1-CZ2 3.77Å; Y209-W214 HydrophobicContact CD1-CZ2 3.77Å; Y209-W214 AromaticContact CD1-CZ3 3.7Å; Y209-W214 HydrophobicContact CD1-CZ3 3.7Å; Y209-W214 AromaticContact CE1-CH2 3.57Å; Y209-W214 HydrophobicContact CE1-CH2 3.57Å; Y209-W214 AromaticContact CE1-CZ2 3.66Å; Y209-W214 HydrophobicContact CE1-CZ2 3.66Å; Y209-W214 HydrophobicContact CE1-CZ3 4.44Å; Y209-W214 HydrophobicContact CG-CH2 4.11Å; Y209-W214 HydrophobicContact CG-CZ3 4.47Å; S211-W214 WeakPolarHBondContact CA-O 3.39Å; S211-W214 WeakPolarHBondContact CB-O 3.47Å; S211-W214 PolarHBondContact N-O 3.18Å; S211-W214 PolarHBondContact OG-NE1 2.88Å; W214-F231 HydrophobicContact CB-CE2 4.44Å; W214-F231 HydrophobicContact CB-CZ 4.05Å; W214-F231 HydrophobicContact CD2-CE2 4.12Å; W214-F231 HydrophobicContact CD2-CZ 4.38Å; W214-F231 HydrophobicContact CE3-CD2 4.31Å; W214-F231 AromaticContact CE3-CE2 3.49Å; W214-F231 HydrophobicContact CE3-CE2 3.49Å; W214-F231 VanDerWaalsContact CE3-CE2 3.49Å; W214-F231 HydrophobicContact CE3-CZ 4.17Å; W214-F231 HydrophobicContact CG-CZ 4.37Å; W214-F231 HydrophobicContact CZ3-CE2 4.04Å; W214-H232 CarbonylContact C-O 3.48Å; W214-H232 WeakPolarHBondContact CA-O 3.33Å; W214-H232 WeakPolarHBondContact CB-O 3.36Å; W214-I233 HydrophobicContact CB-CB 4.15Å; W214-I233 HydrophobicContact CB-CD1 4.49Å; W214-I233 HydrophobicContact CB-CG1 4.11Å
215Q95.8Very high94Very high18 Ų1855 Ų558%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-138127.6173.7-178.1174.8-81.900110K41 K208 Y209 T210 F231 H232K41-Q215 VanDerWaalsContact CB-NE2 3.29Å; K41-Q215 HydrophobicContact CD-CB 4.03Å; K41-Q215 HydrophobicContact CD-CG 4.46Å; K208-Q215 HydrophobicContact CG-CG 4.17Å; Y209-Q215 WeakPolarHBondContact O-CA 3.36Å; T210-Q215 PolarHBondContact OG1-OE1 3.17Å; Q215-F231 CarbonylContact O-C 3.54Å; Q215-F231 WeakPolarHBondContact O-CA 3.32Å; Q215-H232 HydrophobicContact CB-CB 4.43Å; Q215-H232 PolarHBondContact N-O 3.43Å; Q215-H232 PolarHBondContact O-N 2.82Å
216G97Very high93.8Very high15 Ų1551 Ų5116%0.15526%0.262CS..EExtended strand (participates in β ladder)trans-108.9140.9169.100000110.1Y209 S230Y209-G216 PolarHBondContact N-O 2.83Å; Y209-G216 PolarHBondContact O-N 3.03Å; G216-S230 CarbonylContact C-O 3.57Å; G216-S230 WeakPolarHBondContact CA-O 3.32Å
217A97.4Very high93.7Very high8 Ų854.1 Ų54.17%0.06628%0.277CS..EExtended strand (participates in β ladder)trans-138.4149.4168.900000111.1I38 A207 K208 G229 S230I38-A217 HydrophobicContact CB-CB 3.99Å; I38-A217 HydrophobicContact CD1-CB 4.06Å; I38-A217 HydrophobicContact CG1-CB 3.81Å; A207-A217 CarbonylContact O-C 3.53Å; A207-A217 WeakPolarHBondContact O-CA 3.41Å; K208-A217 HydrophobicContact CB-CB 4.42Å; K208-A217 HydrophobicContact CG-CB 4.42Å; A217-G229 WeakPolarHBondContact O-CA 3.36Å; A217-S230 PolarHBondContact N-O 2.84Å; A217-S230 PolarHBondContact O-N 2.92Å
218A97.5Very high93.6Very high44 Ų4453.6 Ų53.636%0.36427%0.269SS..EExtended strand (participates in β ladder)trans-143.4135.5177.800000109.9G206 A207 H228G206-A218 CarbonylContact C-O 3.59Å; G206-A218 WeakPolarHBondContact CA-O 3.49Å; A207-A218 PolarHBondContact N-O 2.72Å; A207-A218 PolarHBondContact O-N 2.76Å; A218-H228 CarbonylContact C-O 3.57Å; A218-H228 VanDerWaalsContact CA-O 3.29Å; A218-H228 WeakPolarHBondContact CA-O 3.39Å
219T97.3Very high93.7Very high4 Ų453.7 Ų53.73%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-121.8130172.5-62.70000109.3V35 I38 H39 F205 L227 H228V35-T219 HydrophobicContact CG1-CG2 4.26Å; I38-T219 WeakPolarHBondContact CD1-OG1 3.23Å; H39-T219 WeakPolarHBondContact NE2-CB 3.45Å; H39-T219 PolarHBondContact NE2-OG1 3.23Å; F205-T219 CarbonylContact O-C 3.46Å; F205-T219 VanDerWaalsContact O-CA 3.26Å; F205-T219 WeakPolarHBondContact O-CA 3.35Å; T219-L227 WeakPolarHBondContact O-CA 3.34Å; T219-H228 PolarHBondContact N-O 3.32Å; T219-H228 PolarHBondContact O-N 3.03Å
220I96.6Very high93.8Very high77 Ų7749.8 Ų49.840%0.39526%0.26SS..EExtended strand (participates in β ladder)trans-119140.3175.261.9172.2000110.2S204 F205 L227S204-I220 CarbonylContact C-O 3.47Å; S204-I220 WeakPolarHBondContact CA-O 3.39Å; F205-I220 HydrophobicContact CB-CD1 4.46Å; F205-I220 HydrophobicContact CB-CG1 3.91Å; F205-I220 HydrophobicContact CD2-CG1 4.43Å; F205-I220 PolarHBondContact N-O 2.97Å; F205-I220 PolarHBondContact O-N 3.35Å; I220-L227 HydrophobicContact CG2-CD1 4.01Å; I220-L227 HydrophobicContact CG2-CG 4.25Å
221R94.9Very high94Very high81 Ų8152.7 Ų52.731%0.30627%0.271SS..EExtended strand (participates in β ladder)trans-122.191.5173.3-51.4-171.1-176.792-1.6109.1V202 F203 S204 W223 Q224 N225 S226V202-R221 HydrophobicContact CG1-CB 4.46Å; V202-R221 HydrophobicContact CG1-CG 4.5Å; F203-R221 WeakPolarHBondContact O-CA 3.49Å; S204-R221 WeakPolarHBondContact OG-CD 3.48Å; S204-R221 WeakPolarHBondContact OG-CG 3.23Å; S204-R221 PolarHBondContact OG-NE 3.04Å; R221-W223 VanDerWaalsContact C-N 3.34Å; R221-W223 PolarHBondContact O-N 2.81Å; R221-Q224 HydrophobicContact CB-CB 4.21Å; R221-Q224 VanDerWaalsContact CD-OE1 3.25Å; R221-Q224 PolarHBondContact O-N 3.37Å; R221-N225 PolarHBondContact O-N 3.29Å; R221-S226 VanDerWaalsContact CB-OG 3.31Å; R221-S226 WeakPolarHBondContact CB-OG 3.38Å; R221-S226 WeakPolarHBondContact CD-OG 3.5Å; R221-S226 VanDerWaalsContact CG-OG 3.3Å; R221-S226 WeakPolarHBondContact CG-OG 3.34Å; R221-S226 PolarHBondContact N-O 2.85Å; R221-S226 PolarHBondContact NH1-OG 3.32Å; R221-S226 VanDerWaalsContact NH1-OG 3.09Å; R221-S226 PolarHBondContact O-N 2.89Å
222P90.1Very high94.2Very high56 Ų5651.7 Ų51.736%0.36426%0.264SS..THydrogen-bonded Turntrans-57.8-40.5-169.2-27.935.6000114.2F205 N225F205-P222 HydrophobicContact CD2-CG 4.07Å; F205-P222 HydrophobicContact CE2-CG 4.06Å; P222-N225 PolarHBondContact O-N 3.02Å; P222-N225 PolarHBondContact O-OD1 3.23Å; P222-N225 VanDerWaalsContact O-OD1 3.09Å
223W87.8Confident94.6Very high179 Ų17951.5 Ų51.568%0.67826%0.257SS*.THydrogen-bonded Turntrans-73.4-27.6-178.5-76.3-94.5000113.9F203 R221F203-W223 HydrophobicContact CB-CE3 3.95Å; F203-W223 HydrophobicContact CB-CZ3 3.73Å; F203-W223 HydrophobicContact CD2-CE3 4.42Å; F203-W223 HydrophobicContact CD2-CH2 4.49Å; F203-W223 HydrophobicContact CD2-CZ3 4.15Å; F203-W223 HydrophobicContact CG-CZ3 4.22Å; R221-W223 VanDerWaalsContact C-N 3.34Å; R221-W223 PolarHBondContact O-N 2.81Å
224Q85.9Confident94.8Very high49 Ų4950 Ų5023%0.22925%0.251CS..THydrogen-bonded Turntrans-93.9-6.3177.8-69.5-178.8-33.700112.5V202 R221 S226V202-Q224 VanDerWaalsContact CG1-CD 3.49Å; V202-Q224 HydrophobicContact CG1-CG 4.24Å; V202-Q224 HydrophobicContact CG2-CG 4.48Å; R221-Q224 HydrophobicContact CB-CB 4.21Å; R221-Q224 VanDerWaalsContact CD-OE1 3.25Å; R221-Q224 PolarHBondContact O-N 3.37Å; Q224-S226 PolarHBondContact O-N 3.47Å
225N89.6Confident94.7Very high100 Ų10050.9 Ų50.954%0.53526%0.261SS..THydrogen-bonded Turntrans47.244.6-171-72.3-27.7000112R221 P222 Y249R221-N225 PolarHBondContact O-N 3.29Å; P222-N225 PolarHBondContact O-N 3.02Å; P222-N225 PolarHBondContact O-OD1 3.23Å; P222-N225 VanDerWaalsContact O-OD1 3.09Å; N225-Y249 HydrophobicContact CB-CD1 4.33Å; N225-Y249 HydrophobicContact CB-CG 4.22Å; N225-Y249 VanDerWaalsContact O-CB 3.29Å; N225-Y249 WeakPolarHBondContact O-CB 3.35Å; N225-Y249 PolarHBondContact O-N 2.89Å
226S92.8Very high94.5Very high10 Ų1054 Ų547%0.0728%0.278CS..EExtended strand (participates in β ladder)trans-109.1138.6174.181.50000110.7R221 Q224 S247R221-S226 VanDerWaalsContact CB-OG 3.31Å; R221-S226 WeakPolarHBondContact CB-OG 3.38Å; R221-S226 WeakPolarHBondContact CD-OG 3.5Å; R221-S226 VanDerWaalsContact CG-OG 3.3Å; R221-S226 WeakPolarHBondContact CG-OG 3.34Å; R221-S226 PolarHBondContact N-O 2.85Å; R221-S226 PolarHBondContact NH1-OG 3.32Å; R221-S226 VanDerWaalsContact NH1-OG 3.09Å; R221-S226 PolarHBondContact O-N 2.89Å; Q224-S226 PolarHBondContact O-N 3.47Å; S226-S247 CarbonylContact C-O 3.44Å; S226-S247 WeakPolarHBondContact CA-O 3.4Å
227L94.9Very high94.1Very high70 Ų7059.3 Ų59.337%0.36630%0.303SS..EExtended strand (participates in β ladder)trans-127.8133.4174.8-177.6147000109.1T219 I220 F245 S247T219-L227 WeakPolarHBondContact O-CA 3.34Å; I220-L227 HydrophobicContact CG2-CD1 4.01Å; I220-L227 HydrophobicContact CG2-CG 4.25Å; L227-F245 HydrophobicContact CD2-CD1 3.57Å; L227-F245 HydrophobicContact CD2-CE1 3.77Å; L227-S247 PolarHBondContact N-O 3.17Å; L227-S247 PolarHBondContact O-N 3.09Å
228H96Very high93.9Very high23 Ų2361.2 Ų61.211%0.10631%0.312CS..EExtended strand (participates in β ladder)trans-122.8118.7170.3-176.4134.2000107.3H39 A218 T219 F245 E246H39-H228 AromaticContact CD2-CD2 3.73Å; H39-H228 AromaticContact CD2-NE2 3.82Å; H39-H228 AromaticContact CE1-CD2 3.25Å; H39-H228 PolarHBondContact CE1-CD2 2.81Å; H39-H228 AromaticContact CE1-CG 3.98Å; H39-H228 AromaticContact CE1-NE2 3.87Å; H39-H228 AromaticContact CG-CD2 3.59Å; H39-H228 AromaticContact CG-NE2 3.38Å; H39-H228 AromaticContact ND1-CD2 3.29Å; H39-H228 PolarHBondContact ND1-CD2 2.81Å; H39-H228 VanDerWaalsContact ND1-CD2 3.29Å; H39-H228 AromaticContact ND1-NE2 3.43Å; H39-H228 PolarHBondContact ND1-NE2 2.84Å; H39-H228 AromaticContact NE2-CD2 3.56Å; H39-H228 AromaticContact NE2-CG 3.88Å; A218-H228 CarbonylContact C-O 3.57Å; A218-H228 VanDerWaalsContact CA-O 3.29Å; A218-H228 WeakPolarHBondContact CA-O 3.39Å; T219-H228 PolarHBondContact N-O 3.32Å; T219-H228 PolarHBondContact O-N 3.03Å; H228-F245 CarbonylContact C-O 3.49Å; H228-F245 WeakPolarHBondContact CA-O 3.43Å; H228-E246 IonicContact CE1-OE1 3.84Å; H228-E246 PolarHBondContact CE1-OE1 2.79Å; H228-E246 IonicContact ND1-OE1 3.19Å; H228-E246 PolarHBondContact ND1-OE1 2.84Å
229G97.4Very high93.8Very high18 Ų1861.2 Ų61.219%0.18631%0.306CS..EExtended strand (participates in β ladder)trans-115.3137.917200000110.4A217 E244 F245A217-G229 WeakPolarHBondContact O-CA 3.36Å; G229-E244 CarbonylContact O-C 3.58Å; G229-E244 WeakPolarHBondContact O-CA 3.49Å; G229-F245 PolarHBondContact N-O 3.16Å; G229-F245 PolarHBondContact O-N 3.44Å
230S97.4Very high93.7Very high8 Ų862.8 Ų62.86%0.05631%0.312CS..EExtended strand (participates in β ladder)trans-135.3139.7176.768.40000110.3H39 G216 A217 A243H39-S230 WeakPolarHBondContact ND1-CB 3.31Å; H39-S230 PolarHBondContact ND1-OG 2.84Å; G216-S230 CarbonylContact C-O 3.57Å; G216-S230 WeakPolarHBondContact CA-O 3.32Å; A217-S230 PolarHBondContact N-O 2.84Å; A217-S230 PolarHBondContact O-N 2.92Å; S230-A243 CarbonylContact C-O 3.52Å; S230-A243 WeakPolarHBondContact CA-O 3.5Å
231F97.9Very high93.8Very high83 Ų8362.1 Ų62.136%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-134.6129.1178.3-172.7-98.1000110W214 Q215 I233 A242 A243W214-F231 HydrophobicContact CB-CE2 4.44Å; W214-F231 HydrophobicContact CB-CZ 4.05Å; W214-F231 HydrophobicContact CD2-CE2 4.12Å; W214-F231 HydrophobicContact CD2-CZ 4.38Å; W214-F231 HydrophobicContact CE3-CD2 4.31Å; W214-F231 AromaticContact CE3-CE2 3.49Å; W214-F231 HydrophobicContact CE3-CE2 3.49Å; W214-F231 VanDerWaalsContact CE3-CE2 3.49Å; W214-F231 HydrophobicContact CE3-CZ 4.17Å; W214-F231 HydrophobicContact CG-CZ 4.37Å; W214-F231 HydrophobicContact CZ3-CE2 4.04Å; Q215-F231 CarbonylContact O-C 3.54Å; Q215-F231 WeakPolarHBondContact O-CA 3.32Å; F231-I233 HydrophobicContact CE1-CB 3.8Å; F231-I233 HydrophobicContact CE1-CG2 3.96Å; F231-I233 HydrophobicContact CZ-CB 4.4Å; F231-A242 CarbonylContact O-C 3.59Å; F231-A242 VanDerWaalsContact O-CA 3.23Å; F231-A242 WeakPolarHBondContact O-CA 3.35Å; F231-A243 PolarHBondContact N-O 2.76Å; F231-A243 PolarHBondContact O-N 2.82Å
232H97.4Very high93.9Very high2 Ų258.5 Ų58.51%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-118.4136.8175.1166.4-92.4000108.7K41 A42 W214 Q215 Q240K41-H232 WeakPolarHBondContact CE-ND1 3.39Å; K41-H232 HydrophobicContact CG-CB 4.37Å; A42-H232 HydrophobicContact CB-CB 4.37Å; W214-H232 CarbonylContact C-O 3.48Å; W214-H232 WeakPolarHBondContact CA-O 3.33Å; W214-H232 WeakPolarHBondContact CB-O 3.36Å; Q215-H232 HydrophobicContact CB-CB 4.43Å; Q215-H232 PolarHBondContact N-O 3.43Å; Q215-H232 PolarHBondContact O-N 2.82Å; H232-Q240 PolarHBondContact NE2-OE1 2.98Å
233I97.1Very high94.3Very high55 Ų5557.3 Ų57.328%0.28229%0.291SS..EExtended strand (participates in β ladder)trans-139.9134.5171-174.6165.7000110.3W214 F231 Q240 L241W214-I233 HydrophobicContact CB-CB 4.15Å; W214-I233 HydrophobicContact CB-CD1 4.49Å; W214-I233 HydrophobicContact CB-CG1 4.11Å; F231-I233 HydrophobicContact CE1-CB 3.8Å; F231-I233 HydrophobicContact CE1-CG2 3.96Å; F231-I233 HydrophobicContact CZ-CB 4.4Å; I233-Q240 CarbonylContact O-C 3.51Å; I233-Q240 WeakPolarHBondContact O-CA 3.37Å; I233-L241 HydrophobicContact CG2-CB 3.78Å; I233-L241 HydrophobicContact CG2-CD1 4.5Å; I233-L241 HydrophobicContact CG2-CG 4.39Å; I233-L241 PolarHBondContact N-O 3.2Å; I233-L241 PolarHBondContact O-N 3.09Å
234Q94.7Very high94.8Very high65 Ų6549.5 Ų49.530%0.30426%0.263SS..EExtended strand (participates in β ladder)trans-98.7112.2171-177.4169.1-6.600107.9H213 D236 Q240H213-Q234 PolarHBondContact O-N 2.76Å; Q234-D236 VanDerWaalsContact CG-O 3.28Å; Q234-D236 WeakPolarHBondContact CG-O 3.46Å; Q234-Q240 HydrophobicContact CB-CG 4.28Å; Q234-Q240 HydrophobicContact CG-CG 4.11Å
235I93.3Very high95.3Very high104 Ų10450.8 Ų50.853%0.53327%0.268SS..EExtended strand (participates in β ladder)trans-83.8-44.8-179.5-65.6-179.8000109.8L239 L241I235-L239 HydrophobicContact CB-CD2 4.34Å; I235-L239 HydrophobicContact CD1-CD2 4.16Å; I235-L239 HydrophobicContact CG2-CD2 4.46Å; I235-L239 PolarHBondContact N-O 2.82Å; I235-L241 HydrophobicContact CD1-CD1 3.4Å; I235-L241 HydrophobicContact CD1-CD2 4.45Å; I235-L241 HydrophobicContact CD1-CG 3.68Å; I235-L241 HydrophobicContact CG1-CD1 4.42Å; I235-L241 HydrophobicContact CG1-CG 4.39Å
236D90.6Very high95.6Very high82 Ų8250.7 Ų50.744%0.43926%0.264SS..EExtended strand (participates in β ladder)trans-139.1169.7-179.1-171.521.2000108.7Q234 N238 L239Q234-D236 VanDerWaalsContact CG-O 3.28Å; Q234-D236 WeakPolarHBondContact CG-O 3.46Å; D236-N238 PolarHBondContact O-N 3.29Å; D236-L239 HydrophobicContact CB-CB 4.32Å; D236-L239 PolarHBondContact N-O 2.91Å; D236-L239 PolarHBondContact O-N 2.81Å
237D88.8Confident95.6Very high128 Ų12851.4 Ų51.468%0.68427%0.269SS*.THydrogen-bonded Turntrans-57.2-25.3175.8-70.5-22.9000112.3
238N93.7Very high95.5Very high47 Ų4749.8 Ų49.825%0.25126%0.261SS..THydrogen-bonded Turntrans-103.9-17.1-176-63.8-39.9000113.7D236 Y262 D263 P265D236-N238 PolarHBondContact O-N 3.29Å; N238-Y262 HydrophobicContact CB-CE2 4.06Å; N238-Y262 CarbonylContact O-C 3.55Å; N238-Y262 WeakPolarHBondContact O-CA 3.33Å; N238-Y262 WeakPolarHBondContact O-CD2 3.43Å; N238-D263 WeakPolarHBondContact CB-O 3.3Å; N238-D263 PolarHBondContact O-N 3.3Å; N238-D263 PolarHBondContact OD1-O 3.38Å; N238-P265 WeakPolarHBondContact OD1-CD 3.48Å; N238-P265 WeakPolarHBondContact OD1-CG 3.44Å
239L95.1Very high95Very high45 Ų4556 Ų5624%0.23629%0.285CS..EExtended strand (participates in β ladder)trans-126.1123.5-170.8-178.564.9000112.1I235 D236 L241 Y260 Y262I235-L239 HydrophobicContact CB-CD2 4.34Å; I235-L239 HydrophobicContact CD1-CD2 4.16Å; I235-L239 HydrophobicContact CG2-CD2 4.46Å; I235-L239 PolarHBondContact N-O 2.82Å; D236-L239 HydrophobicContact CB-CB 4.32Å; D236-L239 PolarHBondContact N-O 2.91Å; D236-L239 PolarHBondContact O-N 2.81Å; L239-L241 HydrophobicContact CD1-CD2 4.25Å; L239-L241 HydrophobicContact CG-CD2 4.45Å; L239-Y260 HydrophobicContact CD1-CD2 4.17Å; L239-Y262 HydrophobicContact CB-CD2 4.02Å; L239-Y262 HydrophobicContact CB-CE2 4.4Å; L239-Y262 HydrophobicContact CD1-CD2 3.9Å
240Q96.6Very high94.3Very high36 Ų3661.4 Ų61.417%0.16831%0.305CS..EExtended strand (participates in β ladder)trans-126.8137.8175.3-56.8-174.515.400110.1I45 H232 I233 Q234 Y260 K261I45-Q240 HydrophobicContact CD1-CB 3.96Å; H232-Q240 PolarHBondContact NE2-OE1 2.98Å; I233-Q240 CarbonylContact O-C 3.51Å; I233-Q240 WeakPolarHBondContact O-CA 3.37Å; Q234-Q240 HydrophobicContact CB-CG 4.28Å; Q234-Q240 HydrophobicContact CG-CG 4.11Å; Q240-Y260 CarbonylContact O-C 3.53Å; Q240-Y260 VanDerWaalsContact O-CA 3.22Å; Q240-Y260 WeakPolarHBondContact O-CA 3.35Å; Q240-Y260 WeakPolarHBondContact O-CB 3.5Å; Q240-K261 PolarHBondContact N-O 3.3Å; Q240-K261 PolarHBondContact O-N 2.9Å
241L97.6Very high93.6Very high64 Ų6467.8 Ų67.834%0.33533%0.334SS..EExtended strand (participates in β ladder)trans-113.2148.1174.1-51.5-175.2000109.8I233 I235 L239 G259 Y260I233-L241 HydrophobicContact CG2-CB 3.78Å; I233-L241 HydrophobicContact CG2-CD1 4.5Å; I233-L241 HydrophobicContact CG2-CG 4.39Å; I233-L241 PolarHBondContact N-O 3.2Å; I233-L241 PolarHBondContact O-N 3.09Å; I235-L241 HydrophobicContact CD1-CD1 3.4Å; I235-L241 HydrophobicContact CD1-CD2 4.45Å; I235-L241 HydrophobicContact CD1-CG 3.68Å; I235-L241 HydrophobicContact CG1-CD1 4.42Å; I235-L241 HydrophobicContact CG1-CG 4.39Å; L239-L241 HydrophobicContact CD1-CD2 4.25Å; L239-L241 HydrophobicContact CG-CD2 4.45Å; L241-G259 WeakPolarHBondContact CA-O 3.46Å; L241-Y260 HydrophobicContact CD2-CG 4.47Å
242A97.6Very high93Very high5 Ų571.7 Ų71.74%0.04135%0.353CS..EExtended strand (participates in β ladder)trans-135.4145.717200000111A42 I45 F46 F231 G259A42-A242 HydrophobicContact CB-CB 4.17Å; A42-A242 WeakPolarHBondContact O-CB 3.18Å; I45-A242 HydrophobicContact CB-CB 3.68Å; I45-A242 HydrophobicContact CG1-CB 3.91Å; I45-A242 HydrophobicContact CG2-CB 3.87Å; F46-A242 HydrophobicContact CE1-CB 3.89Å; F46-A242 HydrophobicContact CE2-CB 4.47Å; F46-A242 HydrophobicContact CZ-CB 3.79Å; F231-A242 CarbonylContact O-C 3.59Å; F231-A242 VanDerWaalsContact O-CA 3.23Å; F231-A242 WeakPolarHBondContact O-CA 3.35Å; A242-G259 PolarHBondContact N-O 2.82Å; A242-G259 PolarHBondContact O-N 2.95Å
243A97.9Very high92.6Very high30 Ų3073.5 Ų73.525%0.24837%0.366CS..EExtended strand (participates in β ladder)trans-132.7130.2170.900000108.7S230 F231 T257 L258S230-A243 CarbonylContact C-O 3.52Å; S230-A243 WeakPolarHBondContact CA-O 3.5Å; F231-A243 PolarHBondContact N-O 2.76Å; F231-A243 PolarHBondContact O-N 2.82Å; A243-T257 CarbonylContact C-O 3.6Å; A243-T257 WeakPolarHBondContact CA-O 3.49Å; A243-L258 HydrophobicContact CB-CD2 3.45Å; A243-L258 VanDerWaalsContact CB-CD2 3.45Å
244E97.8Very high92.4Very high15 Ų1575.3 Ų75.37%0.0738%0.376CS..EExtended strand (participates in β ladder)trans-123.6141173.2-80.8-176.3-175.700110.2A42 H43 F46 G229 T256 T257A42-E244 HydrophobicContact CB-CG 4.24Å; H43-E244 WeakPolarHBondContact CA-OE1 3.48Å; H43-E244 WeakPolarHBondContact CB-OE1 3.3Å; H43-E244 IonicContact CD2-OE2 3.32Å; H43-E244 PolarHBondContact N-OE1 2.89Å; F46-E244 HydrophobicContact CE2-CB 3.98Å; F46-E244 VanDerWaalsContact CE2-CD 3.43Å; F46-E244 HydrophobicContact CE2-CG 3.67Å; F46-E244 WeakPolarHBondContact CE2-OE2 3.31Å; F46-E244 HydrophobicContact CZ-CB 4.19Å; F46-E244 HydrophobicContact CZ-CG 4.12Å; G229-E244 CarbonylContact O-C 3.58Å; G229-E244 WeakPolarHBondContact O-CA 3.49Å; E244-T256 CarbonylContact O-C 3.53Å; E244-T256 WeakPolarHBondContact O-CA 3.28Å; E244-T257 PolarHBondContact N-O 2.78Å; E244-T257 PolarHBondContact O-N 3.25Å
245F97.1Very high92.3Very high77 Ų7773.8 Ų73.834%0.33837%0.371SS..EExtended strand (participates in β ladder)trans-131.3115.7178.5175.1-111.1000108.8L227 H228 G229 N254 T256L227-F245 HydrophobicContact CD2-CD1 3.57Å; L227-F245 HydrophobicContact CD2-CE1 3.77Å; H228-F245 CarbonylContact C-O 3.49Å; H228-F245 WeakPolarHBondContact CA-O 3.43Å; G229-F245 PolarHBondContact N-O 3.16Å; G229-F245 PolarHBondContact O-N 3.44Å; F245-N254 HydrophobicContact CE2-CB 4.28Å; F245-T256 WeakPolarHBondContact CD2-OG1 3.36Å
246E95.2Very high92.5Very high97 Ų9771.4 Ų71.445%0.45336%0.362SS..EExtended strand (participates in β ladder)trans-115.4117.9176.3-60.7-165141.300109.4H228 N254 T255H228-E246 IonicContact CE1-OE1 3.84Å; H228-E246 PolarHBondContact CE1-OE1 2.79Å; H228-E246 IonicContact ND1-OE1 3.19Å; H228-E246 PolarHBondContact ND1-OE1 2.84Å; E246-N254 CarbonylContact O-C 3.58Å; E246-N254 WeakPolarHBondContact O-CA 3.19Å; E246-T255 PolarHBondContact N-O 3.41Å; E246-T255 PolarHBondContact O-N 2.79Å
247S94.3Very high92.8Very high26 Ų2668.6 Ų68.618%0.18235%0.348CS..EExtended strand (participates in β ladder)trans-115.4123.5174.8-178.80000108.8S226 L227 N254S226-S247 CarbonylContact C-O 3.44Å; S226-S247 WeakPolarHBondContact CA-O 3.4Å; L227-S247 PolarHBondContact N-O 3.17Å; L227-S247 PolarHBondContact O-N 3.09Å; S247-N254 WeakPolarHBondContact CA-OD1 3.21Å; S247-N254 WeakPolarHBondContact CB-OD1 3.39Å; S247-N254 PolarHBondContact OG-OD1 3.41Å
248N90.9Very high93.2Very high36 Ų3667 Ų6719%0.19334%0.339CS..EExtended strand (participates in β ladder)trans-126.2105.1172.8-174.5-14.2000109Q250 Q251 Q252 S253N248-Q250 PolarHBondContact O-N 3.18Å; N248-Q250 PolarHBondContact OD1-N 2.81Å; N248-Q250 VanDerWaalsContact OD1-N 3.09Å; N248-Q251 HydrophobicContact CB-CB 4.28Å; N248-Q251 WeakPolarHBondContact ND2-CG 3.35Å; N248-Q251 PolarHBondContact ND2-OE1 3.09Å; N248-Q251 PolarHBondContact O-N 3.23Å; N248-Q251 PolarHBondContact OD1-N 2.98Å; N248-Q252 PolarHBondContact O-N 3.24Å; N248-S253 PolarHBondContact N-O 2.87Å; N248-S253 PolarHBondContact O-N 2.61Å
249Y86.4Confident93.4Very high154 Ų15465.2 Ų65.260%0.60433%0.332SS*.THydrogen-bonded Turntrans-67.7-34.4-179-172.5-98.6000112.9N225 Q251 Q252N225-Y249 HydrophobicContact CB-CD1 4.33Å; N225-Y249 HydrophobicContact CB-CG 4.22Å; N225-Y249 VanDerWaalsContact O-CB 3.29Å; N225-Y249 WeakPolarHBondContact O-CB 3.35Å; N225-Y249 PolarHBondContact O-N 2.89Å; Y249-Q251 VanDerWaalsContact C-N 3.3Å; Y249-Q251 PolarHBondContact O-N 2.94Å; Y249-Q252 WeakPolarHBondContact O-CG 3.29Å; Y249-Q252 PolarHBondContact O-N 2.91Å
250Q83.4Confident93.5Very high131 Ų13167.6 Ų67.661%0.61234%0.338SS*.THydrogen-bonded Turntrans-64.2-37178.7-70.1-177-15.900112N248 Q252N248-Q250 PolarHBondContact O-N 3.18Å; N248-Q250 PolarHBondContact OD1-N 2.81Å; N248-Q250 VanDerWaalsContact OD1-N 3.09Å; Q250-Q252 VanDerWaalsContact C-N 3.32Å
251Q81.7Confident93.5Very high142 Ų14268 Ų6866%0.66434%0.339SS*.THydrogen-bonded Turntrans-87.6-3.2174.6-67.2176.9-1.500112.8N248 Y249 S253N248-Q251 HydrophobicContact CB-CB 4.28Å; N248-Q251 WeakPolarHBondContact ND2-CG 3.35Å; N248-Q251 PolarHBondContact ND2-OE1 3.09Å; N248-Q251 PolarHBondContact O-N 3.23Å; N248-Q251 PolarHBondContact OD1-N 2.98Å; Y249-Q251 VanDerWaalsContact C-N 3.3Å; Y249-Q251 PolarHBondContact O-N 2.94Å; Q251-S253 PolarHBondContact O-N 2.78Å; Q251-S253 VanDerWaalsContact O-N 3.15Å
252Q85.7Confident93.4Very high164 Ų16469.4 Ų69.477%0.76634%0.341SS*.THydrogen-bonded Turntrans48.835.1-172.5-61.3-173.7-2700113.1N248 Y249 Q250N248-Q252 PolarHBondContact O-N 3.24Å; Y249-Q252 WeakPolarHBondContact O-CG 3.29Å; Y249-Q252 PolarHBondContact O-N 2.91Å; Q250-Q252 VanDerWaalsContact C-N 3.32Å
253S88.2Confident93.2Very high41 Ų4170.5 Ų70.529%0.28735%0.346SS..EExtended strand (participates in β ladder)trans-116.9128.8-175.363.40000110.5N248 Q251N248-S253 PolarHBondContact N-O 2.87Å; N248-S253 PolarHBondContact O-N 2.61Å; Q251-S253 PolarHBondContact O-N 2.78Å; Q251-S253 VanDerWaalsContact O-N 3.15Å
254N93Very high92.9Very high93 Ų9371.7 Ų71.750%0.49735%0.347SS..EExtended strand (participates in β ladder)trans-122.7120.6170.4-59.6-48.2000107.9F245 E246 S247F245-N254 HydrophobicContact CE2-CB 4.28Å; E246-N254 CarbonylContact O-C 3.58Å; E246-N254 WeakPolarHBondContact O-CA 3.19Å; S247-N254 WeakPolarHBondContact CA-OD1 3.21Å; S247-N254 WeakPolarHBondContact CB-OD1 3.39Å; S247-N254 PolarHBondContact OG-OD1 3.41Å
255T94.2Very high92.4Very high32 Ų3274.9 Ų74.920%0.19637%0.369CS..EExtended strand (participates in β ladder)trans-121.1124.3178.5-55.90000108.8E246 D276 S277 N278E246-T255 PolarHBondContact N-O 3.41Å; E246-T255 PolarHBondContact O-N 2.79Å; T255-D276 HydrophobicContact CG2-CB 4.19Å; T255-S277 WeakPolarHBondContact CA-OG 3.45Å; T255-N278 PolarHBondContact OG1-ND2 3.25Å
256T96.7Very high91.8Very high55 Ų5581.1 Ų81.134%0.33740%0.397SS..EExtended strand (participates in β ladder)trans-111.2126.1170.8-50.60000108.4E244 F245 D276 S277E244-T256 CarbonylContact O-C 3.53Å; E244-T256 WeakPolarHBondContact O-CA 3.28Å; F245-T256 WeakPolarHBondContact CD2-OG1 3.36Å; T256-D276 CarbonylContact O-C 3.52Å; T256-D276 WeakPolarHBondContact O-CA 3.48Å; T256-S277 PolarHBondContact N-OG 2.71Å; T256-S277 PolarHBondContact O-N 2.65Å
257T96.9Very high91.4Very high22 Ų2278.7 Ų78.714%0.13539%0.393CS..EExtended strand (participates in β ladder)trans-115129.3177.2-55.20000109.3F46 A243 E244 Q274 I275F46-T257 HydrophobicContact CD1-CG2 4.22Å; F46-T257 HydrophobicContact CE1-CG2 3.89Å; F46-T257 HydrophobicContact CE2-CG2 4.39Å; F46-T257 HydrophobicContact CZ-CG2 3.99Å; A243-T257 CarbonylContact C-O 3.6Å; A243-T257 WeakPolarHBondContact CA-O 3.49Å; E244-T257 PolarHBondContact N-O 2.78Å; E244-T257 PolarHBondContact O-N 3.25Å; T257-Q274 HydrophobicContact CG2-CB 4.09Å; T257-Q274 HydrophobicContact CG2-CG 4.5Å; T257-I275 WeakPolarHBondContact CA-O 3.17Å
258L97.6Very high91.1Very high95 Ų9580.6 Ų80.650%0.49740%0.401SS..EExtended strand (participates in β ladder)trans-117.2141.5173-60.5179.5000108.8A243 Q274 I275A243-L258 HydrophobicContact CB-CD2 3.45Å; A243-L258 VanDerWaalsContact CB-CD2 3.45Å; L258-Q274 CarbonylContact O-C 3.6Å; L258-Q274 WeakPolarHBondContact O-CA 3.41Å; L258-I275 HydrophobicContact CB-CG2 4.21Å; L258-I275 PolarHBondContact N-O 2.78Å; L258-I275 PolarHBondContact O-N 2.87Å
259G96.9Very high91.1Very high10 Ų1080.5 Ų80.510%0.10340%0.399CS..EExtended strand (participates in β ladder)trans-162.6168-179.100000112.9L241 A242 A273L241-G259 WeakPolarHBondContact CA-O 3.46Å; A242-G259 PolarHBondContact N-O 2.82Å; A242-G259 PolarHBondContact O-N 2.95Å; G259-A273 CarbonylContact C-O 3.6Å; G259-A273 WeakPolarHBondContact CA-O 3.13Å
260Y96.7Very high91.5Very high94 Ų9474.7 Ų74.737%0.36938%0.379SS..EExtended strand (participates in β ladder)trans-143.9154.1178.771.3-88.8000111.1L239 Q240 L241 F271 K272 A273L239-Y260 HydrophobicContact CD1-CD2 4.17Å; Q240-Y260 CarbonylContact O-C 3.53Å; Q240-Y260 VanDerWaalsContact O-CA 3.22Å; Q240-Y260 WeakPolarHBondContact O-CA 3.35Å; Q240-Y260 WeakPolarHBondContact O-CB 3.5Å; L241-Y260 HydrophobicContact CD2-CG 4.47Å; Y260-F271 AromaticContact CE2-CD1 3.72Å; Y260-F271 HydrophobicContact CE2-CD1 3.72Å; Y260-F271 HydrophobicContact CE2-CE1 4.09Å; Y260-F271 AromaticContact CZ-CD1 3.88Å; Y260-F271 AromaticContact CZ-CE1 3.74Å; Y260-F271 WeakPolarHBondContact OH-CE1 3.42Å; Y260-K272 VanDerWaalsContact O-CA 3.28Å; Y260-K272 WeakPolarHBondContact O-CA 3.46Å; Y260-A273 HydrophobicContact CD1-CB 4.35Å; Y260-A273 HydrophobicContact CE1-CB 3.83Å; Y260-A273 PolarHBondContact N-O 2.85Å; Y260-A273 PolarHBondContact O-N 2.89Å
261K96.8Very high92Very high45 Ų4570.7 Ų70.720%0.19636%0.36CS..EExtended strand (participates in β ladder)trans-120.5126170.2178.7-177.7-172.9-131.30108I45 Q240 D263 T270 F271 K272I45-K261 HydrophobicContact CD1-CB 4.34Å; I45-K261 HydrophobicContact CD1-CD 4.31Å; I45-K261 HydrophobicContact CG2-CB 3.72Å; Q240-K261 PolarHBondContact N-O 3.3Å; Q240-K261 PolarHBondContact O-N 2.9Å; K261-D263 VanDerWaalsContact CE-OD1 3.25Å; K261-D263 WeakPolarHBondContact CE-OD1 3.48Å; K261-D263 WeakPolarHBondContact CE-OD2 3.25Å; K261-D263 IonicContact NZ-OD1 2.68Å; K261-D263 PolarHBondContact NZ-OD1 2.76Å; K261-D263 IonicContact NZ-OD2 3.88Å; K261-D263 PolarHBondContact NZ-OD2 2.8Å; K261-T270 HydrophobicContact CG-CG2 4.33Å; K261-F271 CarbonylContact C-O 3.43Å; K261-F271 WeakPolarHBondContact CA-O 3.09Å; K261-K272 HydrophobicContact CB-CG 4.1Å; K261-K272 HydrophobicContact CG-CG 3.91Å
262Y95.4Very high92.7Very high93 Ų9365.9 Ų65.937%0.36534%0.337SS..EExtended strand (participates in β ladder)trans-121.1113.6176-170-120.7000109.8N238 L239 I264 T270 F271N238-Y262 HydrophobicContact CB-CE2 4.06Å; N238-Y262 CarbonylContact O-C 3.55Å; N238-Y262 WeakPolarHBondContact O-CA 3.33Å; N238-Y262 WeakPolarHBondContact O-CD2 3.43Å; L239-Y262 HydrophobicContact CB-CD2 4.02Å; L239-Y262 HydrophobicContact CB-CE2 4.4Å; L239-Y262 HydrophobicContact CD1-CD2 3.9Å; Y262-I264 HydrophobicContact CD1-CD1 4.03Å; Y262-I264 HydrophobicContact CD1-CG1 3.77Å; Y262-I264 HydrophobicContact CE1-CD1 3.49Å; Y262-I264 VanDerWaalsContact CE1-CD1 3.49Å; Y262-I264 HydrophobicContact CE1-CG1 3.36Å; Y262-T270 WeakPolarHBondContact O-CA 3.2Å; Y262-F271 PolarHBondContact N-O 2.8Å; Y262-F271 PolarHBondContact O-N 2.87Å
263D94.1Very high93.2Very high28 Ų2858.8 Ų58.815%0.1531%0.306CS..EExtended strand (participates in β ladder)trans-102.2128.3177.7-66.7-46.9000108.9N238 K261 P265 F269 T270N238-D263 WeakPolarHBondContact CB-O 3.3Å; N238-D263 PolarHBondContact O-N 3.3Å; N238-D263 PolarHBondContact OD1-O 3.38Å; K261-D263 VanDerWaalsContact CE-OD1 3.25Å; K261-D263 WeakPolarHBondContact CE-OD1 3.48Å; K261-D263 WeakPolarHBondContact CE-OD2 3.25Å; K261-D263 IonicContact NZ-OD1 2.68Å; K261-D263 PolarHBondContact NZ-OD1 2.76Å; K261-D263 IonicContact NZ-OD2 3.88Å; K261-D263 PolarHBondContact NZ-OD2 2.8Å; D263-P265 WeakPolarHBondContact O-CD 3.44Å; D263-F269 CarbonylContact C-O 3.53Å; D263-T270 VanDerWaalsContact OD1-CB 3.27Å; D263-T270 WeakPolarHBondContact OD1-CB 3.46Å; D263-T270 WeakPolarHBondContact OD1-CG2 3.34Å; D263-T270 PolarHBondContact OD1-OG1 3.01Å
264I91.9Very high93.6Very high55 Ų5559.1 Ų59.128%0.28230%0.303SS..EExtended strand (participates in β ladder)trans-114.892.1172.3-50.6178.3000107.7Y262 K266 A267 N268 F269Y262-I264 HydrophobicContact CD1-CD1 4.03Å; Y262-I264 HydrophobicContact CD1-CG1 3.77Å; Y262-I264 HydrophobicContact CE1-CD1 3.49Å; Y262-I264 VanDerWaalsContact CE1-CD1 3.49Å; Y262-I264 HydrophobicContact CE1-CG1 3.36Å; I264-K266 VanDerWaalsContact C-N 3.26Å; I264-K266 PolarHBondContact O-N 2.82Å; I264-A267 HydrophobicContact CB-CB 4.32Å; I264-A267 HydrophobicContact CG2-CB 3.93Å; I264-A267 PolarHBondContact O-N 2.9Å; I264-N268 PolarHBondContact O-N 3.39Å; I264-F269 HydrophobicContact CB-CB 4.26Å; I264-F269 HydrophobicContact CB-CD1 4.26Å; I264-F269 HydrophobicContact CD1-CD1 3.63Å; I264-F269 HydrophobicContact CD1-CE1 4.21Å; I264-F269 HydrophobicContact CG1-CD1 3.91Å; I264-F269 PolarHBondContact N-O 2.79Å; I264-F269 PolarHBondContact O-N 3.1Å
265P86.6Confident93.7Very high82 Ų8258.8 Ų58.853%0.53230%0.301SS..G310 helixtrans-55.8-40-177.1-27.534.3000113.1N238 D263 A267 N268N238-P265 WeakPolarHBondContact OD1-CD 3.48Å; N238-P265 WeakPolarHBondContact OD1-CG 3.44Å; D263-P265 WeakPolarHBondContact O-CD 3.44Å; P265-A267 PolarHBondContact O-N 2.8Å; P265-N268 PolarHBondContact O-N 2.84Å; P265-N268 VanDerWaalsContact O-N 3.1Å
266K85.6Confident93.7Very high209 Ų20958.5 Ų58.591%0.90930%0.298SS*.G310 helixtrans-61.6-28.7-179.6-67.1-176.7179.6177.30113.6I264I264-K266 VanDerWaalsContact C-N 3.26Å; I264-K266 PolarHBondContact O-N 2.82Å
267A85.9Confident93.5Very high46 Ų4659.2 Ų59.238%0.3831%0.306SS..G310 helixtrans-102.62.2-179.900000112.8I264 P265 F269I264-A267 HydrophobicContact CB-CB 4.32Å; I264-A267 HydrophobicContact CG2-CB 3.93Å; I264-A267 PolarHBondContact O-N 2.9Å; P265-A267 PolarHBondContact O-N 2.8Å; A267-F269 HydrophobicContact CB-CB 3.89Å; A267-F269 PolarHBondContact O-N 3.3Å
268N88.2Confident93.2Very high65 Ų6562 Ų6235%0.34832%0.32SS..THydrogen-bonded Turntrans46.147.8-169-60.4-65.8000112.3I264 P265 K288 T290I264-N268 PolarHBondContact O-N 3.39Å; P265-N268 PolarHBondContact O-N 2.84Å; P265-N268 VanDerWaalsContact O-N 3.1Å; N268-K288 HydrophobicContact CB-CB 3.92Å; N268-K288 PolarHBondContact O-N 3.18Å; N268-T290 PolarHBondContact ND2-OG1 3.09Å
269F91.1Very high92.8Very high35 Ų3558.4 Ų58.415%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-123.7136-167.5174.9-110.1000110.6D263 I264 A267 F271 F285 E286 K287D263-F269 CarbonylContact C-O 3.53Å; I264-F269 HydrophobicContact CB-CB 4.26Å; I264-F269 HydrophobicContact CB-CD1 4.26Å; I264-F269 HydrophobicContact CD1-CD1 3.63Å; I264-F269 HydrophobicContact CD1-CE1 4.21Å; I264-F269 HydrophobicContact CG1-CD1 3.91Å; I264-F269 PolarHBondContact N-O 2.79Å; I264-F269 PolarHBondContact O-N 3.1Å; A267-F269 HydrophobicContact CB-CB 3.89Å; A267-F269 PolarHBondContact O-N 3.3Å; F269-F271 HydrophobicContact CE1-CB 3.77Å; F269-F271 HydrophobicContact CZ-CB 3.66Å; F269-F271 HydrophobicContact CZ-CD2 4.21Å; F269-F271 HydrophobicContact CZ-CG 4.33Å; F269-F285 HydrophobicContact CD2-CD2 4.37Å; F269-F285 HydrophobicContact CD2-CE1 4.49Å; F269-F285 AromaticContact CD2-CE2 3.94Å; F269-F285 HydrophobicContact CD2-CE2 3.94Å; F269-F285 AromaticContact CD2-CZ 3.97Å; F269-F285 HydrophobicContact CD2-CZ 3.97Å; F269-F285 HydrophobicContact CE2-CD1 4.19Å; F269-F285 AromaticContact CE2-CD2 3.19Å; F269-F285 HydrophobicContact CE2-CD2 3.19Å; F269-F285 HydrophobicContact CE2-CE1 4.06Å; F269-F285 AromaticContact CE2-CE2 3.03Å; F269-F285 HydrophobicContact CE2-CE2 3.03Å; F269-F285 AromaticContact CE2-CG 3.76Å; F269-F285 HydrophobicContact CE2-CG 3.76Å; F269-F285 AromaticContact CE2-CZ 3.48Å; F269-F285 HydrophobicContact CE2-CZ 3.48Å; F269-F285 VanDerWaalsContact CE2-CZ 3.48Å; F269-F285 AromaticContact CZ-CD2 3.54Å; F269-F285 HydrophobicContact CZ-CD2 3.54Å; F269-F285 AromaticContact CZ-CE2 3.54Å; F269-F285 HydrophobicContact CZ-CE2 3.54Å; F269-F285 HydrophobicContact CZ-CG 4.39Å; F269-F285 HydrophobicContact CZ-CZ 4.39Å; F269-E286 WeakPolarHBondContact CA-O 3.41Å; F269-E286 WeakPolarHBondContact CD2-O 3.35Å; F269-K287 HydrophobicContact CD2-CB 4.33Å
270T94Very high92.6Very high31 Ų3160.9 Ų60.919%0.1932%0.316CS..EExtended strand (participates in β ladder)trans-132.5125.4175.1-66.90000108.6K261 Y262 D263 K272 E286K261-T270 HydrophobicContact CG-CG2 4.33Å; Y262-T270 WeakPolarHBondContact O-CA 3.2Å; D263-T270 VanDerWaalsContact OD1-CB 3.27Å; D263-T270 WeakPolarHBondContact OD1-CB 3.46Å; D263-T270 WeakPolarHBondContact OD1-CG2 3.34Å; D263-T270 PolarHBondContact OD1-OG1 3.01Å; T270-K272 HydrophobicContact CG2-CG 4.37Å; T270-E286 PolarHBondContact N-O 3.27Å; T270-E286 PolarHBondContact O-N 2.98Å
271F95.5Very high92.5Very high48 Ų4859.3 Ų59.321%0.21131%0.314CS..EExtended strand (participates in β ladder)trans-116132.5173.2-171.8-104.2000109.6Y260 K261 Y262 F269 A273 F285Y260-F271 AromaticContact CE2-CD1 3.72Å; Y260-F271 HydrophobicContact CE2-CD1 3.72Å; Y260-F271 HydrophobicContact CE2-CE1 4.09Å; Y260-F271 AromaticContact CZ-CD1 3.88Å; Y260-F271 AromaticContact CZ-CE1 3.74Å; Y260-F271 WeakPolarHBondContact OH-CE1 3.42Å; K261-F271 CarbonylContact C-O 3.43Å; K261-F271 WeakPolarHBondContact CA-O 3.09Å; Y262-F271 PolarHBondContact N-O 2.8Å; Y262-F271 PolarHBondContact O-N 2.87Å; F269-F271 HydrophobicContact CE1-CB 3.77Å; F269-F271 HydrophobicContact CZ-CB 3.66Å; F269-F271 HydrophobicContact CZ-CD2 4.21Å; F269-F271 HydrophobicContact CZ-CG 4.33Å; F271-A273 HydrophobicContact CD1-CB 4.47Å; F271-A273 HydrophobicContact CE1-CB 3.61Å; F271-A273 HydrophobicContact CZ-CB 4.07Å; F271-F285 HydrophobicContact CD2-CB 4.25Å; F271-F285 HydrophobicContact CD2-CD2 4.46Å
272K96.6Very high92.4Very high40 Ų4057.3 Ų57.317%0.17431%0.305CS..EExtended strand (participates in β ladder)trans-125.2139.7169.7-56.6176176.7-165.50109D44 I45 P47 Y260 K261 T270 S283 S284D44-K272 PolarHBondContact O-NZ 2.8Å; I45-K272 WeakPolarHBondContact O-CD 3.48Å; P47-K272 HydrophobicContact CB-CB 3.98Å; Y260-K272 VanDerWaalsContact O-CA 3.28Å; Y260-K272 WeakPolarHBondContact O-CA 3.46Å; K261-K272 HydrophobicContact CB-CG 4.1Å; K261-K272 HydrophobicContact CG-CG 3.91Å; T270-K272 HydrophobicContact CG2-CG 4.37Å; K272-S283 CarbonylContact O-C 3.59Å; K272-S283 VanDerWaalsContact O-CA 3.25Å; K272-S283 WeakPolarHBondContact O-CA 3.48Å; K272-S284 WeakPolarHBondContact CB-OG 3.29Å; K272-S284 PolarHBondContact N-O 3.39Å; K272-S284 PolarHBondContact O-N 2.99Å
273A96.3Very high92.4Very high15 Ų1554.4 Ų54.412%0.12430%0.299CS..EExtended strand (participates in β ladder)trans-142.7151.4171.600000110.5G259 Y260 F271 A282G259-A273 CarbonylContact C-O 3.6Å; G259-A273 WeakPolarHBondContact CA-O 3.13Å; Y260-A273 HydrophobicContact CD1-CB 4.35Å; Y260-A273 HydrophobicContact CE1-CB 3.83Å; Y260-A273 PolarHBondContact N-O 2.85Å; Y260-A273 PolarHBondContact O-N 2.89Å; F271-A273 HydrophobicContact CD1-CB 4.47Å; F271-A273 HydrophobicContact CE1-CB 3.61Å; F271-A273 HydrophobicContact CZ-CB 4.07Å; A273-A282 CarbonylContact C-O 3.57Å; A273-A282 VanDerWaalsContact CA-O 3.3Å; A273-A282 WeakPolarHBondContact CA-O 3.49Å
274Q96.1Very high92.4Very high48 Ų4853.4 Ų53.422%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-141.5156.5174.170.7-18013.700111.2F46 P47 T257 L258 I281 A282F46-Q274 HydrophobicContact CD1-CB 3.89Å; F46-Q274 VanDerWaalsContact CG-OE1 3.31Å; P47-Q274 HydrophobicContact CG-CB 4.27Å; P47-Q274 HydrophobicContact CG-CG 3.75Å; T257-Q274 HydrophobicContact CG2-CB 4.09Å; T257-Q274 HydrophobicContact CG2-CG 4.5Å; L258-Q274 CarbonylContact O-C 3.6Å; L258-Q274 WeakPolarHBondContact O-CA 3.41Å; Q274-I281 WeakPolarHBondContact O-CA 3.36Å; Q274-A282 HydrophobicContact CG-CB 3.86Å; Q274-A282 PolarHBondContact N-O 2.76Å; Q274-A282 PolarHBondContact O-N 2.86Å
275I95.6Very high92.5Very high87 Ų8753.7 Ų53.745%0.44629%0.293SS..EExtended strand (participates in β ladder)trans-136.7137.7169.9-175.5166.5000108.5T257 L258 N280 I281T257-I275 WeakPolarHBondContact CA-O 3.17Å; L258-I275 HydrophobicContact CB-CG2 4.21Å; L258-I275 PolarHBondContact N-O 2.78Å; L258-I275 PolarHBondContact O-N 2.87Å; I275-N280 CarbonylContact C-O 3.59Å; I275-N280 WeakPolarHBondContact CA-O 3.35Å; I275-I281 HydrophobicContact CB-CG1 4.4Å; I275-I281 HydrophobicContact CD1-CD1 4.37Å; I275-I281 HydrophobicContact CD1-CG1 4.1Å; I275-I281 HydrophobicContact CG1-CG1 3.99Å
276D94Very high92.9Very high26 Ų2653.9 Ų53.914%0.13929%0.287CS..EExtended strand (participates in β ladder)trans-111165173.7789.3000112.8T255 T256 N278 G279 N280T255-D276 HydrophobicContact CG2-CB 4.19Å; T256-D276 CarbonylContact O-C 3.52Å; T256-D276 WeakPolarHBondContact O-CA 3.48Å; D276-N278 PolarHBondContact O-N 2.88Å; D276-N278 VanDerWaalsContact OD1-C 3.3Å; D276-N278 WeakPolarHBondContact OD1-CA 3.34Å; D276-N278 WeakPolarHBondContact OD1-CB 3.21Å; D276-N278 PolarHBondContact OD1-N 2.82Å; D276-G279 PolarHBondContact O-N 2.93Å; D276-G279 PolarHBondContact OD1-N 2.79Å; D276-N280 PolarHBondContact N-O 2.86Å; D276-N280 WeakPolarHBondContact OD1-CA 3.33Å; D276-N280 WeakPolarHBondContact OD1-CB 3.42Å; D276-N280 PolarHBondContact OD1-N 2.8Å; D276-N280 PolarHBondContact OD1-ND2 2.64Å; D276-N280 WeakPolarHBondContact OD2-CB 3.36Å; D276-N280 PolarHBondContact OD2-ND2 2.78Å
277S92.6Very high93.2Very high70 Ų7048 Ų4849%0.4926%0.261SS..THydrogen-bonded Turntrans-65.4-12.9177.157.70000113.9T255 T256 G279T255-S277 WeakPolarHBondContact CA-OG 3.45Å; T256-S277 PolarHBondContact N-OG 2.71Å; T256-S277 PolarHBondContact O-N 2.65Å; S277-G279 VanDerWaalsContact C-N 3.3Å
278N90.4Very high93.5Very high81 Ų8151.7 Ų51.743%0.43327%0.269SS..THydrogen-bonded Turntrans-88.40.6174.9-61.9-49.1000112.3T255 D276 N280T255-N278 PolarHBondContact OG1-ND2 3.25Å; D276-N278 PolarHBondContact O-N 2.88Å; D276-N278 VanDerWaalsContact OD1-C 3.3Å; D276-N278 WeakPolarHBondContact OD1-CA 3.34Å; D276-N278 WeakPolarHBondContact OD1-CB 3.21Å; D276-N278 PolarHBondContact OD1-N 2.82Å; N278-N280 VanDerWaalsContact C-N 3.34Å
279G88.8Confident93.4Very high19 Ų1951.8 Ų51.820%0.19627%0.269CS..SBendtrans78.116.8-179.200000114D276 S277 Q304D276-G279 PolarHBondContact O-N 2.93Å; D276-G279 PolarHBondContact OD1-N 2.79Å; S277-G279 VanDerWaalsContact C-N 3.3Å; G279-Q304 PolarHBondContact O-N 2.86Å
280N92.9Very high93Very high61 Ų6154.8 Ų54.833%0.32629%0.29SS..EExtended strand (participates in β ladder)trans-78.8129.9165.9-55.1-63.6000109.2I275 D276 N278 C302 N303I275-N280 CarbonylContact C-O 3.59Å; I275-N280 WeakPolarHBondContact CA-O 3.35Å; D276-N280 PolarHBondContact N-O 2.86Å; D276-N280 WeakPolarHBondContact OD1-CA 3.33Å; D276-N280 WeakPolarHBondContact OD1-CB 3.42Å; D276-N280 PolarHBondContact OD1-N 2.8Å; D276-N280 PolarHBondContact OD1-ND2 2.64Å; D276-N280 WeakPolarHBondContact OD2-CB 3.36Å; D276-N280 PolarHBondContact OD2-ND2 2.78Å; N278-N280 VanDerWaalsContact C-N 3.34Å; N280-C302 CarbonylContact C-O 3.56Å; N280-C302 WeakPolarHBondContact CA-O 3.31Å; N280-N303 WeakPolarHBondContact OD1-CB 3.39Å; N280-N303 PolarHBondContact OD1-ND2 2.88Å
281I94.5Very high92.4Very high62 Ų6259.1 Ų59.132%0.31832%0.319SS..EExtended strand (participates in β ladder)trans-119.2130.4174-59.4170.4000105.9Q274 I275 M301 C302 Q304Q274-I281 WeakPolarHBondContact O-CA 3.36Å; I275-I281 HydrophobicContact CB-CG1 4.4Å; I275-I281 HydrophobicContact CD1-CD1 4.37Å; I275-I281 HydrophobicContact CD1-CG1 4.1Å; I275-I281 HydrophobicContact CG1-CG1 3.99Å; I281-M301 CarbonylContact O-C 3.52Å; I281-M301 WeakPolarHBondContact O-CA 3.3Å; I281-C302 HydrophobicContact CB-CB 4.37Å; I281-C302 PolarHBondContact N-O 3.5Å; I281-C302 PolarHBondContact O-N 2.87Å; I281-Q304 HydrophobicContact CD1-CG 4.18Å
282A94.9Very high92Very high3 Ų363.2 Ų63.23%0.02534%0.337CS..EExtended strand (participates in β ladder)trans-129.5144.5170.400000109.8P47 P49 A273 Q274 A300 M301P47-A282 HydrophobicContact CG-CB 3.96Å; P49-A282 HydrophobicContact CB-CB 4.33Å; P49-A282 HydrophobicContact CG-CB 3.95Å; A273-A282 CarbonylContact C-O 3.57Å; A273-A282 VanDerWaalsContact CA-O 3.3Å; A273-A282 WeakPolarHBondContact CA-O 3.49Å; Q274-A282 HydrophobicContact CG-CB 3.86Å; Q274-A282 PolarHBondContact N-O 2.76Å; Q274-A282 PolarHBondContact O-N 2.86Å; A282-A300 CarbonylContact C-O 3.54Å; A282-A300 WeakPolarHBondContact CA-O 3.48Å; A282-M301 HydrophobicContact CB-CG 4.38Å
283S94.9Very high91.4Very high32 Ų3264.8 Ų64.822%0.22435%0.351CS..EExtended strand (participates in β ladder)trans-137.6145.7172.7610000110.4K272 C299 A300K272-S283 CarbonylContact O-C 3.59Å; K272-S283 VanDerWaalsContact O-CA 3.25Å; K272-S283 WeakPolarHBondContact O-CA 3.48Å; S283-C299 CarbonylContact O-C 3.51Å; S283-C299 VanDerWaalsContact O-CA 3.29Å; S283-C299 WeakPolarHBondContact O-CA 2.98Å; S283-A300 PolarHBondContact N-O 2.88Å; S283-A300 PolarHBondContact O-N 2.84Å
284S94.6Very high91.1Very high6 Ų667.6 Ų67.64%0.04236%0.36CS..EExtended strand (participates in β ladder)trans-130.7130.6170.967.90000109.2P47 K272 L298P47-S284 WeakPolarHBondContact CB-OG 3.26Å; K272-S284 WeakPolarHBondContact CB-OG 3.29Å; K272-S284 PolarHBondContact N-O 3.39Å; K272-S284 PolarHBondContact O-N 2.99Å; S284-L298 CarbonylContact C-O 3.46Å; S284-L298 WeakPolarHBondContact CA-O 3.42Å
285F93.8Very high90.9Very high62 Ų6266.5 Ų66.527%0.27236%0.357SS..EExtended strand (participates in β ladder)trans-114.9125.5178.5168.1-70.8000106.5F269 F271 K287 F296 S297 L298F269-F285 HydrophobicContact CD2-CD2 4.37Å; F269-F285 HydrophobicContact CD2-CE1 4.49Å; F269-F285 AromaticContact CD2-CE2 3.94Å; F269-F285 HydrophobicContact CD2-CE2 3.94Å; F269-F285 AromaticContact CD2-CZ 3.97Å; F269-F285 HydrophobicContact CD2-CZ 3.97Å; F269-F285 HydrophobicContact CE2-CD1 4.19Å; F269-F285 AromaticContact CE2-CD2 3.19Å; F269-F285 HydrophobicContact CE2-CD2 3.19Å; F269-F285 HydrophobicContact CE2-CE1 4.06Å; F269-F285 AromaticContact CE2-CE2 3.03Å; F269-F285 HydrophobicContact CE2-CE2 3.03Å; F269-F285 AromaticContact CE2-CG 3.76Å; F269-F285 HydrophobicContact CE2-CG 3.76Å; F269-F285 AromaticContact CE2-CZ 3.48Å; F269-F285 HydrophobicContact CE2-CZ 3.48Å; F269-F285 VanDerWaalsContact CE2-CZ 3.48Å; F269-F285 AromaticContact CZ-CD2 3.54Å; F269-F285 HydrophobicContact CZ-CD2 3.54Å; F269-F285 AromaticContact CZ-CE2 3.54Å; F269-F285 HydrophobicContact CZ-CE2 3.54Å; F269-F285 HydrophobicContact CZ-CG 4.39Å; F269-F285 HydrophobicContact CZ-CZ 4.39Å; F271-F285 HydrophobicContact CD2-CB 4.25Å; F271-F285 HydrophobicContact CD2-CD2 4.46Å; F285-K287 HydrophobicContact CE1-CB 3.76Å; F285-K287 HydrophobicContact CZ-CB 4.19Å; F285-K287 HydrophobicContact CZ-CD 4.47Å; F285-F296 HydrophobicContact CD1-CD1 4.33Å; F285-F296 HydrophobicContact CD1-CE1 4.5Å; F285-F296 HydrophobicContact CE1-CD1 4.05Å; F285-F296 HydrophobicContact CE1-CE1 4.38Å; F285-S297 CarbonylContact O-C 3.58Å; F285-S297 WeakPolarHBondContact O-CA 3.03Å; F285-L298 HydrophobicContact CB-CB 3.99Å; F285-L298 HydrophobicContact CD1-CB 4.1Å; F285-L298 HydrophobicContact CG-CB 4.32Å; F285-L298 PolarHBondContact N-O 2.8Å; F285-L298 PolarHBondContact O-N 2.86Å
286E94Very high90.9Very high85 Ų8565.5 Ų65.540%0.39735%0.35SS..EExtended strand (participates in β ladder)trans-127.4128175.6-68-175.2175.300109.4F269 T270 F296F269-E286 WeakPolarHBondContact CA-O 3.41Å; F269-E286 WeakPolarHBondContact CD2-O 3.35Å; T270-E286 PolarHBondContact N-O 3.27Å; T270-E286 PolarHBondContact O-N 2.98Å; E286-F296 CarbonylContact C-O 3.56Å; E286-F296 WeakPolarHBondContact CA-O 3.49Å
287K93.6Very high90.9Very high87 Ų8765 Ų6538%0.37835%0.348SS..EExtended strand (participates in β ladder)trans-131120177.5-175.9174-179.4177.20109.9F269 F285 L289 T295 F296F269-K287 HydrophobicContact CD2-CB 4.33Å; F285-K287 HydrophobicContact CE1-CB 3.76Å; F285-K287 HydrophobicContact CZ-CB 4.19Å; F285-K287 HydrophobicContact CZ-CD 4.47Å; K287-L289 HydrophobicContact CD-CD2 4.02Å; K287-L289 HydrophobicContact CG-CD2 4.08Å; K287-T295 WeakPolarHBondContact O-CA 3.32Å; K287-F296 PolarHBondContact N-O 3.14Å; K287-F296 PolarHBondContact O-N 2.74Å
288K91.2Very high91Very high123 Ų12364 Ų6454%0.53534%0.337SS..EExtended strand (participates in β ladder)trans-82.9119.8171.4-47.4-177.3174177.70108.6N268 T290 T295N268-K288 HydrophobicContact CB-CB 3.92Å; N268-K288 PolarHBondContact O-N 3.18Å; K288-T290 VanDerWaalsContact C-N 3.35Å; K288-T290 PolarHBondContact O-N 2.9Å; K288-T290 VanDerWaalsContact O-N 3.16Å; K288-T295 HydrophobicContact CG-CG2 4.05Å
289L87.1Confident91.1Very high67 Ų6760.3 Ų60.335%0.35132%0.318SS..  trans-89.670.4-175.5-60.8175.5000110.1K287 F292 F294 F296K287-L289 HydrophobicContact CD-CD2 4.02Å; K287-L289 HydrophobicContact CG-CD2 4.08Å; L289-F292 CarbonylContact C-O 3.52Å; L289-F292 CarbonylContact O-C 3.6Å; L289-F292 WeakPolarHBondContact O-CA 3.43Å; L289-F292 PolarHBondContact O-N 3.42Å; L289-F294 HydrophobicContact CB-CB 4.32Å; L289-F294 HydrophobicContact CD1-CB 4.36Å; L289-F294 PolarHBondContact N-O 2.9Å; L289-F296 HydrophobicContact CD1-CB 4.22Å
290T82.2Confident91.3Very high97 Ų9761 Ų6160%0.59532%0.322SS*.THydrogen-bonded Turntrans-61.2140.7172.247.90000110.6N268 K288N268-T290 PolarHBondContact ND2-OG1 3.09Å; K288-T290 VanDerWaalsContact C-N 3.35Å; K288-T290 PolarHBondContact O-N 2.9Å; K288-T290 VanDerWaalsContact O-N 3.16Å
291P81.6Confident91.2Very high123 Ų12362 Ų6280%0.79933%0.325SS*.THydrogen-bonded Turncis-86.9-0.18.836-37000115.1
292F85.4Confident91.1Very high134 Ų13459.9 Ų59.959%0.58832%0.316SS*.SBendtrans-77.6148.2-179.4-60.4-71.6000111.3L289 F294L289-F292 CarbonylContact C-O 3.52Å; L289-F292 CarbonylContact O-C 3.6Å; L289-F292 WeakPolarHBondContact O-CA 3.43Å; L289-F292 PolarHBondContact O-N 3.42Å; F292-F294 HydrophobicContact CB-CB 4.46Å; F292-F294 HydrophobicContact CB-CD2 3.42Å; F292-F294 VanDerWaalsContact CB-CD2 3.42Å; F292-F294 HydrophobicContact CB-CE2 3.86Å; F292-F294 HydrophobicContact CB-CG 4.11Å; F292-F294 HydrophobicContact CD1-CE2 4.42Å; F292-F294 HydrophobicContact CG-CD2 4.09Å; F292-F294 HydrophobicContact CG-CE2 4.17Å; F292-F294 PolarHBondContact O-N 2.85Å
293P85Confident90.8Very high72 Ų7260.3 Ų60.347%0.46832%0.318SS..SBendtrans-76.247.1174.433.3-35.9000111.3V317 G318P293-V317 WeakPolarHBondContact O-CA 3.48Å; P293-G318 VanDerWaalsContact CB-O 3.24Å; P293-G318 WeakPolarHBondContact CB-O 3.32Å; P293-G318 PolarHBondContact O-N 3.05Å
294F90.1Very high90.1Very high74 Ų7464.1 Ų64.133%0.32533%0.332SS..EExtended strand (participates in β ladder)trans-114.9128.9-179.6-62.4-41.4000110.1L289 F292 L315 M316 V317L289-F294 HydrophobicContact CB-CB 4.32Å; L289-F294 HydrophobicContact CD1-CB 4.36Å; L289-F294 PolarHBondContact N-O 2.9Å; F292-F294 HydrophobicContact CB-CB 4.46Å; F292-F294 HydrophobicContact CB-CD2 3.42Å; F292-F294 VanDerWaalsContact CB-CD2 3.42Å; F292-F294 HydrophobicContact CB-CE2 3.86Å; F292-F294 HydrophobicContact CB-CG 4.11Å; F292-F294 HydrophobicContact CD1-CE2 4.42Å; F292-F294 HydrophobicContact CG-CD2 4.09Å; F292-F294 HydrophobicContact CG-CE2 4.17Å; F292-F294 PolarHBondContact O-N 2.85Å; F294-L315 HydrophobicContact CB-CD1 4.23Å; F294-M316 CarbonylContact C-O 3.52Å; F294-M316 WeakPolarHBondContact CA-O 3.2Å; F294-V317 HydrophobicContact CD1-CB 4.15Å; F294-V317 HydrophobicContact CD1-CG1 3.93Å; F294-V317 HydrophobicContact CD1-CG2 3.71Å; F294-V317 HydrophobicContact CE1-CB 4.17Å; F294-V317 HydrophobicContact CE1-CG1 3.62Å; F294-V317 HydrophobicContact CE1-CG2 3.68Å
295T92.7Very high89.5Confident26 Ų2669.5 Ų69.516%0.1636%0.364CS..EExtended strand (participates in β ladder)trans-113.3115.4166.9-54.70000108.3K287 K288 M316K287-T295 WeakPolarHBondContact O-CA 3.32Å; K288-T295 HydrophobicContact CG-CG2 4.05Å; T295-M316 PolarHBondContact N-O 2.93Å; T295-M316 PolarHBondContact O-N 3.31Å
296F94.1Very high89.2Confident66 Ų6673.6 Ų73.629%0.28938%0.382SS..EExtended strand (participates in β ladder)trans-86.9131.5173.3179-100.9000109.1F285 E286 K287 L289 L298 I313F285-F296 HydrophobicContact CD1-CD1 4.33Å; F285-F296 HydrophobicContact CD1-CE1 4.5Å; F285-F296 HydrophobicContact CE1-CD1 4.05Å; F285-F296 HydrophobicContact CE1-CE1 4.38Å; E286-F296 CarbonylContact C-O 3.56Å; E286-F296 WeakPolarHBondContact CA-O 3.49Å; K287-F296 PolarHBondContact N-O 3.14Å; K287-F296 PolarHBondContact O-N 2.74Å; L289-F296 HydrophobicContact CD1-CB 4.22Å; F296-L298 HydrophobicContact CE1-CB 4.08Å; F296-L298 HydrophobicContact CE1-CD1 4.17Å; F296-L298 HydrophobicContact CZ-CD1 3.88Å; F296-I313 HydrophobicContact CE2-CG2 3.63Å; F296-I313 HydrophobicContact CZ-CG2 4.03Å
297S93.9Very high88.8Confident14 Ų1472.7 Ų72.710%0.09839%0.389CS..EExtended strand (participates in β ladder)trans-124.2137177.759.80000110.6F285 G314F285-S297 CarbonylContact O-C 3.58Å; F285-S297 WeakPolarHBondContact O-CA 3.03Å; S297-G314 PolarHBondContact N-O 2.85Å; S297-G314 PolarHBondContact O-N 2.83Å; S297-G314 WeakPolarHBondContact OG-CA 3.49Å; S297-G314 PolarHBondContact OG-O 2.99Å
298L94.6Very high88.5Confident49 Ų4975.6 Ų75.626%0.25740%0.402SS..EExtended strand (participates in β ladder)trans-128.8128.8176.4-158.971.1000108.9S284 F285 F296 F311 G312 I313S284-L298 CarbonylContact C-O 3.46Å; S284-L298 WeakPolarHBondContact CA-O 3.42Å; F285-L298 HydrophobicContact CB-CB 3.99Å; F285-L298 HydrophobicContact CD1-CB 4.1Å; F285-L298 HydrophobicContact CG-CB 4.32Å; F285-L298 PolarHBondContact N-O 2.8Å; F285-L298 PolarHBondContact O-N 2.86Å; F296-L298 HydrophobicContact CE1-CB 4.08Å; F296-L298 HydrophobicContact CE1-CD1 4.17Å; F296-L298 HydrophobicContact CZ-CD1 3.88Å; L298-F311 HydrophobicContact CD1-CE1 3.68Å; L298-F311 HydrophobicContact CD1-CE2 3.63Å; L298-F311 HydrophobicContact CD1-CZ 3.03Å; L298-F311 HydrophobicContact CD2-CE2 3.65Å; L298-F311 HydrophobicContact CD2-CZ 3.66Å; L298-F311 HydrophobicContact CG-CE1 4.43Å; L298-F311 HydrophobicContact CG-CE2 3.43Å; L298-F311 VanDerWaalsContact CG-CE2 3.43Å; L298-F311 HydrophobicContact CG-CZ 3.41Å; L298-F311 VanDerWaalsContact CG-CZ 3.41Å; L298-G312 WeakPolarHBondContact CA-O 3.22Å; L298-I313 HydrophobicContact CD1-CB 4.43Å; L298-I313 HydrophobicContact CD1-CG1 3.81Å
299C93Very high88.4Confident5 Ų576.6 Ų76.63%0.03440%0.403CS..EExtended strand (participates in β ladder)trans-124.1142.7178.6-69.20000110.1P49 F50 S283 F311 G312P49-C299 HydrophobicContact CB-CB 4.26Å; F50-C299 HydrophobicContact CD1-CB 4.16Å; F50-C299 VanDerWaalsContact CD1-SG 3.53Å; F50-C299 HydrophobicContact CE1-CB 4.16Å; F50-C299 WeakPolarHBondContact CE1-SG 3.46Å; S283-C299 CarbonylContact O-C 3.51Å; S283-C299 VanDerWaalsContact O-CA 3.29Å; S283-C299 WeakPolarHBondContact O-CA 2.98Å; C299-F311 CarbonylContact O-C 3.54Å; C299-F311 WeakPolarHBondContact O-CA 3.46Å; C299-F311 WeakPolarHBondContact O-CD2 2.95Å; C299-G312 PolarHBondContact N-O 2.82Å; C299-G312 PolarHBondContact O-N 2.85Å
300A93.1Very high88.6Confident34 Ų3474.6 Ų74.628%0.28140%0.395SS..EExtended strand (participates in β ladder)trans-133.2137.7171.100000109.4A282 S283 F311A282-A300 CarbonylContact C-O 3.54Å; A282-A300 WeakPolarHBondContact CA-O 3.48Å; S283-A300 PolarHBondContact N-O 2.88Å; S283-A300 PolarHBondContact O-N 2.84Å; A300-F311 HydrophobicContact CB-CD2 4.16Å
301M91.5Very high89Confident80 Ų8074.9 Ų74.939%0.39439%0.388SS..EExtended strand (participates in β ladder)trans-123.4138.7169.5-54.8177.568.400109P49 I281 A282 Y309 S310P49-M301 HydrophobicContact CB-CG 3.32Å; P49-M301 HydrophobicContact CB-SD 3.58Å; P49-M301 VanDerWaalsContact CB-SD 3.58Å; P49-M301 HydrophobicContact CG-CE 3.78Å; P49-M301 HydrophobicContact CG-CG 3.59Å; P49-M301 HydrophobicContact CG-SD 3.42Å; P49-M301 WeakPolarHBondContact CG-SD 3.25Å; I281-M301 CarbonylContact O-C 3.52Å; I281-M301 WeakPolarHBondContact O-CA 3.3Å; A282-M301 HydrophobicContact CB-CG 4.38Å; M301-Y309 WeakPolarHBondContact O-CA 3.4Å; M301-S310 WeakPolarHBondContact CB-OG 3.49Å; M301-S310 PolarHBondContact N-O 2.84Å; M301-S310 PolarHBondContact O-N 2.83Å
302C90.9Very high89.6Confident19 Ų1969 Ų6913%0.12835%0.35CS..EExtended strand (participates in β ladder)trans-141.8124.5-177.9163.10000108.4N280 I281 Q304 K308 Y309N280-C302 CarbonylContact C-O 3.56Å; N280-C302 WeakPolarHBondContact CA-O 3.31Å; I281-C302 HydrophobicContact CB-CB 4.37Å; I281-C302 PolarHBondContact N-O 3.5Å; I281-C302 PolarHBondContact O-N 2.87Å; C302-Q304 PolarHBondContact SG-NE2 2.97Å; C302-K308 CarbonylContact C-O 3.47Å; C302-K308 WeakPolarHBondContact CA-O 3.45Å; C302-Y309 HydrophobicContact CB-CD1 3.82Å; C302-Y309 HydrophobicContact CB-CE1 4.07Å; C302-Y309 WeakPolarHBondContact SG-CE1 3.35Å
303N89.9Confident90Very high12 Ų1266.8 Ų66.86%0.06434%0.343CS..EExtended strand (participates in β ladder)trans-106.6106.8160.6-174.6-49.9000108.1N280 V305 K306 A307 K308N280-N303 WeakPolarHBondContact OD1-CB 3.39Å; N280-N303 PolarHBondContact OD1-ND2 2.88Å; N303-V305 VanDerWaalsContact C-N 3.31Å; N303-V305 PolarHBondContact O-N 3.08Å; N303-V305 WeakPolarHBondContact OD1-CA 3.22Å; N303-V305 WeakPolarHBondContact OD1-CB 3.4Å; N303-V305 PolarHBondContact OD1-N 2.8Å; N303-K306 HydrophobicContact CB-CB 4.32Å; N303-K306 PolarHBondContact O-N 2.88Å; N303-K306 PolarHBondContact OD1-N 3.4Å; N303-A307 WeakPolarHBondContact O-CA 3.29Å; N303-A307 PolarHBondContact O-N 2.85Å; N303-K308 PolarHBondContact N-O 3.49Å; N303-K308 PolarHBondContact O-N 2.71Å; N303-K308 VanDerWaalsContact O-N 3.16Å
304Q79.7Confident90.4Very high112 Ų11263.4 Ų63.452%0.52332%0.322SS..THydrogen-bonded Turntrans-64.8-36.8-177.9-69-68.3-7.700111.8G279 I281 C302 A307 Y309G279-Q304 PolarHBondContact O-N 2.86Å; I281-Q304 HydrophobicContact CD1-CG 4.18Å; C302-Q304 PolarHBondContact SG-NE2 2.97Å; Q304-A307 PolarHBondContact O-N 2.84Å; Q304-Y309 PolarHBondContact OE1-OH 2.79Å
305V83.1Confident90.6Very high118 Ų11862.9 Ų62.972%0.71532%0.322SS*.THydrogen-bonded Turntrans-68.3-39-177.5-176.80000111.4N303N303-V305 VanDerWaalsContact C-N 3.31Å; N303-V305 PolarHBondContact O-N 3.08Å; N303-V305 WeakPolarHBondContact OD1-CA 3.22Å; N303-V305 WeakPolarHBondContact OD1-CB 3.4Å; N303-V305 PolarHBondContact OD1-N 2.8Å
306K86.6Confident90.7Very high148 Ų14865.3 Ų65.364%0.64333%0.332SS*.THydrogen-bonded Turntrans-96-0.1-178.6-62.2-180-177.8174.40113.3N303 K308N303-K306 HydrophobicContact CB-CB 4.32Å; N303-K306 PolarHBondContact O-N 2.88Å; N303-K306 PolarHBondContact OD1-N 3.4Å; K306-K308 HydrophobicContact CB-CG 4.19Å; K306-K308 PolarHBondContact O-N 3.2Å
307A85.5Confident90.5Very high67 Ų6763.8 Ų63.855%0.55433%0.329SS*.THydrogen-bonded Turntrans47.840-173.500000113.3N303 Q304 Y309N303-A307 WeakPolarHBondContact O-CA 3.29Å; N303-A307 PolarHBondContact O-N 2.85Å; Q304-A307 PolarHBondContact O-N 2.84Å; A307-Y309 HydrophobicContact CB-CE2 4.3Å
308K87.6Confident89.8Confident147 Ų14767.4 Ų67.464%0.63937%0.368SS*.EExtended strand (participates in β ladder)trans-103.7125.3177.8-69.9-168177.5-168.70109.7C302 N303 K306C302-K308 CarbonylContact C-O 3.47Å; C302-K308 WeakPolarHBondContact CA-O 3.45Å; N303-K308 PolarHBondContact N-O 3.49Å; N303-K308 PolarHBondContact O-N 2.71Å; N303-K308 VanDerWaalsContact O-N 3.16Å; K306-K308 HydrophobicContact CB-CG 4.19Å; K306-K308 PolarHBondContact O-N 3.2Å
309Y88.9Confident89.6Confident144 Ų14468.3 Ų68.357%0.56537%0.373SS*.EExtended strand (participates in β ladder)trans-128.1130.7-179-53.7-87.1000108.6M301 C302 Q304 A307M301-Y309 WeakPolarHBondContact O-CA 3.4Å; C302-Y309 HydrophobicContact CB-CD1 3.82Å; C302-Y309 HydrophobicContact CB-CE1 4.07Å; C302-Y309 WeakPolarHBondContact SG-CE1 3.35Å; Q304-Y309 PolarHBondContact OE1-OH 2.79Å; A307-Y309 HydrophobicContact CB-CE2 4.3Å
310S90.3Very high89.4Confident25 Ų2571.6 Ų71.618%0.17539%0.391CS..EExtended strand (participates in β ladder)trans-132155.3170.265.80000110E51 M301E51-S310 VanDerWaalsContact CD-CB 3.5Å; E51-S310 VanDerWaalsContact OE2-CB 3.26Å; E51-S310 WeakPolarHBondContact OE2-CB 3.47Å; M301-S310 WeakPolarHBondContact CB-OG 3.49Å; M301-S310 PolarHBondContact N-O 2.84Å; M301-S310 PolarHBondContact O-N 2.83Å
311F91.7Very high89.2Confident103 Ų10373.7 Ų73.745%0.45240%0.397SS..EExtended strand (participates in β ladder)trans-143.1142.6-175.6-178.4-103.4000110.1G52 L298 C299 A300 I313G52-F311 PolarHBondContact N-O 2.82Å; L298-F311 HydrophobicContact CD1-CE1 3.68Å; L298-F311 HydrophobicContact CD1-CE2 3.63Å; L298-F311 HydrophobicContact CD1-CZ 3.03Å; L298-F311 HydrophobicContact CD2-CE2 3.65Å; L298-F311 HydrophobicContact CD2-CZ 3.66Å; L298-F311 HydrophobicContact CG-CE1 4.43Å; L298-F311 HydrophobicContact CG-CE2 3.43Å; L298-F311 VanDerWaalsContact CG-CE2 3.43Å; L298-F311 HydrophobicContact CG-CZ 3.41Å; L298-F311 VanDerWaalsContact CG-CZ 3.41Å; C299-F311 CarbonylContact O-C 3.54Å; C299-F311 WeakPolarHBondContact O-CA 3.46Å; C299-F311 WeakPolarHBondContact O-CD2 2.95Å; A300-F311 HydrophobicContact CB-CD2 4.16Å; F311-I313 HydrophobicContact CD1-CG1 3.98Å; F311-I313 HydrophobicContact CE1-CD1 3.78Å; F311-I313 HydrophobicContact CE1-CG1 3.34Å; F311-I313 HydrophobicContact CZ-CG1 4.17Å
312G93.2Very high89Confident0 Ų073.4 Ų73.40%040%0.398CS..EExtended strand (participates in β ladder)trans-128.7135.718000000111.5F50 G52 L298 C299F50-G312 VanDerWaalsContact O-CA 3.29Å; F50-G312 WeakPolarHBondContact O-CA 3.39Å; F50-G312 PolarHBondContact O-N 2.86Å; G52-G312 CarbonylContact O-C 3.55Å; G52-G312 VanDerWaalsContact O-CA 3.23Å; G52-G312 WeakPolarHBondContact O-CA 3.4Å; L298-G312 WeakPolarHBondContact CA-O 3.22Å; C299-G312 PolarHBondContact N-O 2.82Å; C299-G312 PolarHBondContact O-N 2.85Å
313I95.1Very high88.9Confident87 Ų8776.8 Ų76.845%0.44641%0.414SS..EExtended strand (participates in β ladder)trans-116.1126.1170.6-54.8176.5000107.5G52 G53 R54 F296 L298 F311G52-I313 PolarHBondContact O-N 2.89Å; G53-I313 CarbonylContact C-O 3.43Å; G53-I313 WeakPolarHBondContact CA-O 3.48Å; R54-I313 PolarHBondContact N-O 2.95Å; F296-I313 HydrophobicContact CE2-CG2 3.63Å; F296-I313 HydrophobicContact CZ-CG2 4.03Å; L298-I313 HydrophobicContact CD1-CB 4.43Å; L298-I313 HydrophobicContact CD1-CG1 3.81Å; F311-I313 HydrophobicContact CD1-CG1 3.98Å; F311-I313 HydrophobicContact CE1-CD1 3.78Å; F311-I313 HydrophobicContact CE1-CG1 3.34Å; F311-I313 HydrophobicContact CZ-CG1 4.17Å
314G93.9Very high88.9Confident2 Ų281.1 Ų81.12%0.02144%0.438CS..EExtended strand (participates in β ladder)trans-128.2144.8179.500000112.7R54 S297R54-G314 CarbonylContact O-C 3.55Å; R54-G314 WeakPolarHBondContact O-CA 3.4Å; S297-G314 PolarHBondContact N-O 2.85Å; S297-G314 PolarHBondContact O-N 2.83Å; S297-G314 WeakPolarHBondContact OG-CA 3.49Å; S297-G314 PolarHBondContact OG-O 2.99Å
315L94.3Very high89.5Confident63 Ų6378.9 Ų78.933%0.3343%0.432SS..EExtended strand (participates in β ladder)trans-125.9125.3169.5-174.568.6000108.4R54 L55 V56 F294 V317R54-L315 PolarHBondContact O-N 3.08Å; L55-L315 CarbonylContact C-O 3.53Å; L55-L315 WeakPolarHBondContact CA-O 3.34Å; L55-L315 HydrophobicContact CD1-CB 4.1Å; L55-L315 HydrophobicContact CD1-CD2 4.18Å; L55-L315 HydrophobicContact CD1-CG 4.35Å; V56-L315 PolarHBondContact N-O 2.9Å; F294-L315 HydrophobicContact CB-CD1 4.23Å; L315-V317 HydrophobicContact CD2-CG2 4.36Å; L315-V317 HydrophobicContact CG-CG2 4.37Å
316M93.1Very high90Very high76 Ų7675.8 Ų75.837%0.37441%0.41SS..EExtended strand (participates in β ladder)trans-108.2129.2169.9-177.4-175.8-61.800109.1V56 F294 T295V56-M316 HydrophobicContact CB-CB 4.29Å; V56-M316 HydrophobicContact CB-CG 4.08Å; V56-M316 HydrophobicContact CG1-CE 4.39Å; V56-M316 HydrophobicContact CG1-CG 4.18Å; V56-M316 CarbonylContact O-C 3.53Å; V56-M316 VanDerWaalsContact O-CA 3.25Å; V56-M316 WeakPolarHBondContact O-CA 3.42Å; F294-M316 CarbonylContact C-O 3.52Å; F294-M316 WeakPolarHBondContact CA-O 3.2Å; T295-M316 PolarHBondContact N-O 2.93Å; T295-M316 PolarHBondContact O-N 3.31Å
317V90.3Very high90.3Very high35 Ų3569.8 Ų69.821%0.21239%0.39CS..EExtended strand (participates in β ladder)trans-113.6125.2175.2-172.90000107.7L55 V56 V57 N58 P293 F294 L315L55-V317 HydrophobicContact CD1-CG2 4.31Å; V56-V317 PolarHBondContact O-N 2.94Å; V57-V317 CarbonylContact C-O 3.55Å; V57-V317 VanDerWaalsContact CA-O 3.29Å; V57-V317 WeakPolarHBondContact CA-O 3.18Å; V57-V317 HydrophobicContact CG1-CB 4.35Å; V57-V317 HydrophobicContact CG2-CB 4.24Å; V57-V317 HydrophobicContact CG2-CG2 4.37Å; N58-V317 PolarHBondContact N-O 3.3Å; P293-V317 WeakPolarHBondContact O-CA 3.48Å; F294-V317 HydrophobicContact CD1-CB 4.15Å; F294-V317 HydrophobicContact CD1-CG1 3.93Å; F294-V317 HydrophobicContact CD1-CG2 3.71Å; F294-V317 HydrophobicContact CE1-CB 4.17Å; F294-V317 HydrophobicContact CE1-CG1 3.62Å; F294-V317 HydrophobicContact CE1-CG2 3.68Å; L315-V317 HydrophobicContact CD2-CG2 4.36Å; L315-V317 HydrophobicContact CG-CG2 4.37Å
318G79.7Confident90.7Very high89 Ų8970.1 Ų70.192%0.91838%0.376SS*.  trans-179.7017900000113.5N58 P293N58-G318 WeakPolarHBondContact O-CA 3.33Å; P293-G318 VanDerWaalsContact CB-O 3.24Å; P293-G318 WeakPolarHBondContact CB-O 3.32Å; P293-G318 PolarHBondContact O-N 3.05Å

Retrieved 318 of 318 residues in 267.8 ms (Link to these results)