A0A077Z231_TRITR Loading...

Sentrin

AlphaFold DB , UniProt , Accession A0A077Z231, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 194 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
1M34.9Very low33.3Very low200 Ų200159.5 Ų159.599%0.98575%0.751SS**  0104.50-148-179.6-74.900107.2E5M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 HydrophobicContact CG-CB 4.43Å; M1-E5 WeakPolarHBondContact CG-OE2 3.34Å
2N34.7Very low33.6Very low124 Ų124155.2 Ų155.266%0.66374%0.736SS**  trans-71.8146.6-172.4-103.3-25.5000109.5L4 E5N2-L4 PolarHBondContact O-N 3.38Å; N2-E5 PolarHBondContact N-OE2 2.75Å; N2-E5 PolarHBondContact O-N 2.68Å
3K37.5Very low33.8Very low208 Ų208150.1 Ų150.190%0.90472%0.722SS**THydrogen-bonded Turntrans-55.8-15.9-179.6-77.4-177.3176.2179.10114
4L32.8Very low33.6Very low146 Ų146148.1 Ų148.176%0.76472%0.724SS**THydrogen-bonded Turntrans-74.4-33172.7-79.1154.8000113.6N2 R6 F7N2-L4 PolarHBondContact O-N 3.38Å; L4-R6 VanDerWaalsContact C-N 3.28Å; L4-R6 PolarHBondContact O-N 3.12Å; L4-F7 WeakPolarHBondContact O-CB 3.37Å; L4-F7 PolarHBondContact O-N 3.49Å
5E33.1Very low33.6Very low111 Ų111146.9 Ų146.952%0.51972%0.721SS.*G310 helixtrans-75-18.8-179.2-67.3170.9148.300112.5M1 N2 F7M1-E5 WeakPolarHBondContact CA-OE2 3.49Å; M1-E5 HydrophobicContact CG-CB 4.43Å; M1-E5 WeakPolarHBondContact CG-OE2 3.34Å; N2-E5 PolarHBondContact N-OE2 2.75Å; N2-E5 PolarHBondContact O-N 2.68Å; E5-F7 PolarHBondContact O-N 3.46Å
6R34.3Very low33.8Very low200 Ų200143.4 Ų143.476%0.75570%0.698SS**G310 helixtrans-72.7-13.6174.3-128.5-177.7-156-1715.3113.3L4L4-R6 VanDerWaalsContact C-N 3.28Å; L4-R6 PolarHBondContact O-N 3.12Å
7F33.2Very low33.8Very low156 Ų156141 Ų14168%0.68468%0.684SS**G310 helixtrans-76.4-26.2-177.6-158.1-97.6000112.5L4 E5L4-F7 WeakPolarHBondContact O-CB 3.37Å; L4-F7 PolarHBondContact O-N 3.49Å; E5-F7 PolarHBondContact O-N 3.46Å
8E31Very low33.7Very low179 Ų179135.8 Ų135.884%0.83667%0.673SS**THydrogen-bonded Turntrans-82.9-11.3-180-66.6-172.8158.600113.5
9Q32Very low33.7Very low139 Ų139134.6 Ų134.665%0.6567%0.668SS**THydrogen-bonded Turntrans-109.89.4-172-71.3-175.7-600115H11Q9-H11 PolarHBondContact O-N 2.87Å; Q9-H11 VanDerWaalsContact O-N 3.12Å
10T32Very low33.8Very low101 Ų101130 Ų13062%0.6265%0.645SS**  trans-82.497172.437.20000110.5D12T10-D12 PolarHBondContact O-N 3.16Å
11H30.8Very low33.8Very low191 Ų191127.9 Ų127.988%0.88464%0.639SS**THydrogen-bonded Turntrans-39.696.8165-63.8-78000113.2Q9Q9-H11 PolarHBondContact O-N 2.87Å; Q9-H11 VanDerWaalsContact O-N 3.12Å
12D37.6Very low33.8Very low107 Ų107121.2 Ų121.257%0.57262%0.616SS**THydrogen-bonded Turntrans175.6-4.4146.4-132.6-17.1000113.9T10 T14T10-D12 PolarHBondContact O-N 3.16Å; D12-T14 PolarHBondContact O-N 2.91Å
13T35.3Very low34.4Very low89 Ų89117.3 Ų117.355%0.54660%0.595SS.*Hα-helixtrans-67.1-33.7-177.727.10000112.7L15 Y16 F17T13-L15 PolarHBondContact O-N 3.47Å; T13-Y16 PolarHBondContact O-N 2.6Å; T13-F17 WeakPolarHBondContact O-CB 3.14Å; T13-F17 VanDerWaalsContact O-CD2 3.25Å; T13-F17 WeakPolarHBondContact O-CD2 3.06Å; T13-F17 PolarHBondContact O-N 2.75Å
14T30.9Very low34.9Very low123 Ų123110.4 Ų110.476%0.75557%0.565SS**Hα-helixtrans-66.3-35.9-174.8-45.50000113.7D12 F17 G18D12-T14 PolarHBondContact O-N 2.91Å; T14-F17 PolarHBondContact O-N 2.63Å; T14-G18 PolarHBondContact O-N 3.33Å
15L34.6Very low35.9Very low129 Ų129107.3 Ų107.368%0.67556%0.561SS**Hα-helixtrans-74.3-39.8177.2-112.1136.1000111.8T13 F17 G18 L19T13-L15 PolarHBondContact O-N 3.47Å; L15-F17 VanDerWaalsContact C-N 3.26Å; L15-F17 PolarHBondContact O-N 3.01Å; L15-G18 PolarHBondContact O-N 3.11Å; L15-L19 PolarHBondContact O-N 3.2Å
16Y36.3Very low37.6Very low91 Ų91105.1 Ų105.136%0.35755%0.551SS.*Hα-helixtrans-63.4-29169-99.5-92.9000113.3T13 V93 R166T13-Y16 PolarHBondContact O-N 2.6Å; Y16-V93 WeakPolarHBondContact CE1-O 3.49Å; Y16-V93 HydrophobicContact CE2-CG2 4.25Å; Y16-V93 PolarHBondContact OH-O 3.1Å; Y16-R166 PolarHBondContact O-NH2 3.3Å
17F34.4Very low39.8Very low103 Ų103104 Ų10445%0.45256%0.555SS.*Hα-helixtrans-73.8-44.8173.5-97.2-90.1000111.5T13 T14 L15 L19 Q20 V21 R166T13-F17 WeakPolarHBondContact O-CB 3.14Å; T13-F17 VanDerWaalsContact O-CD2 3.25Å; T13-F17 WeakPolarHBondContact O-CD2 3.06Å; T13-F17 PolarHBondContact O-N 2.75Å; T14-F17 PolarHBondContact O-N 2.63Å; L15-F17 VanDerWaalsContact C-N 3.26Å; L15-F17 PolarHBondContact O-N 3.01Å; F17-L19 PolarHBondContact O-N 3.48Å; F17-Q20 PolarHBondContact O-N 2.68Å; F17-V21 WeakPolarHBondContact O-CG2 3.37Å; F17-V21 PolarHBondContact O-N 3.43Å; F17-R166 VanDerWaalsContact CD1-CZ 3.5Å
18G31.2Very low42.5Very low47 Ų4797.4 Ų97.449%0.48553%0.527SS..Hα-helixtrans-58-45.5-179.700000114.5T14 L15 A22T14-G18 PolarHBondContact O-N 3.33Å; L15-G18 PolarHBondContact O-N 3.11Å; G18-A22 PolarHBondContact O-N 3.28Å
19L33.4Very low45.4Very low113 Ų11392.8 Ų92.859%0.59251%0.508SS*.Hα-helixtrans-69.9-32.2180-86.2159.7000113.6L15 F17L15-L19 PolarHBondContact O-N 3.2Å; F17-L19 PolarHBondContact O-N 3.48Å
20Q36.3Very low48.4Very low42 Ų4291.9 Ų91.920%0.19651%0.508CS..Hα-helixtrans-85.1-20-179.7-88.1-174.1-3.900113.8F17 F24 R166F17-Q20 PolarHBondContact O-N 2.68Å; Q20-F24 VanDerWaalsContact O-CD2 3.25Å; Q20-F24 WeakPolarHBondContact O-CD2 3.26Å; Q20-R166 VanDerWaalsContact OE1-NH2 3.17Å
21V34.5Very low51.5Low86 Ų8693 Ų9352%0.52151%0.509SS..Hα-helixtrans-77.3-31.3173.1-175.80000110.3F17 N23 F24F17-V21 WeakPolarHBondContact O-CG2 3.37Å; F17-V21 PolarHBondContact O-N 3.43Å; V21-N23 VanDerWaalsContact C-N 3.35Å; V21-N23 PolarHBondContact O-N 3.25Å; V21-F24 PolarHBondContact O-N 3.04Å
22A35.1Very low54.6Low61 Ų6185.4 Ų85.450%0.50448%0.475SS..Hα-helixtrans-60.1-37.7179.300000113.7G18 F24G18-A22 PolarHBondContact O-N 3.28Å; A22-F24 VanDerWaalsContact C-N 3.29Å; A22-F24 PolarHBondContact O-N 2.87Å
23N45.6Very low57.4Low41 Ų4182.8 Ų82.822%0.21946%0.46CS..G310 helixtrans-74-15.3179.1-81.732.6000114.3V21 A25 Y168 L194V21-N23 VanDerWaalsContact C-N 3.35Å; V21-N23 PolarHBondContact O-N 3.25Å; N23-A25 VanDerWaalsContact C-N 3.29Å; N23-A25 PolarHBondContact O-N 3.45Å; N23-Y168 VanDerWaalsContact CB-OH 3.3Å; N23-Y168 WeakPolarHBondContact CB-OH 3.47Å; N23-L194 PolarHBondContact ND2-O 2.87Å; N23-L194 PolarHBondContact ND2-OXT 3.05Å
24F47.7Very low60.3Low64 Ų6484.7 Ų84.728%0.28146%0.463SS..G310 helixtrans-75.3-18.5178.8-85.1-71000113.8Q20 V21 A22 P167 Y168 F171Q20-F24 VanDerWaalsContact O-CD2 3.25Å; Q20-F24 WeakPolarHBondContact O-CD2 3.26Å; V21-F24 PolarHBondContact O-N 3.04Å; A22-F24 VanDerWaalsContact C-N 3.29Å; A22-F24 PolarHBondContact O-N 2.87Å; F24-P167 HydrophobicContact CD1-CB 4.24Å; F24-P167 HydrophobicContact CD1-CG 4.29Å; F24-P167 HydrophobicContact CD2-CG 4.34Å; F24-P167 HydrophobicContact CE1-CB 3.42Å; F24-P167 VanDerWaalsContact CE1-CB 3.42Å; F24-P167 HydrophobicContact CE1-CG 3.66Å; F24-P167 HydrophobicContact CE2-CB 4.34Å; F24-P167 HydrophobicContact CE2-CG 3.69Å; F24-P167 HydrophobicContact CZ-CB 3.44Å; F24-P167 VanDerWaalsContact CZ-CB 3.44Å; F24-P167 HydrophobicContact CZ-CG 3.28Å; F24-Y168 HydrophobicContact CD1-CD1 4.29Å; F24-Y168 AromaticContact CD1-CE1 3.78Å; F24-Y168 HydrophobicContact CD1-CE1 3.78Å; F24-Y168 HydrophobicContact CD1-CE2 4.39Å; F24-Y168 AromaticContact CD1-CZ 3.79Å; F24-Y168 HydrophobicContact CD2-CE1 4.49Å; F24-Y168 AromaticContact CD2-CE2 3.84Å; F24-Y168 HydrophobicContact CD2-CE2 3.84Å; F24-Y168 AromaticContact CD2-CZ 3.66Å; F24-Y168 WeakPolarHBondContact CD2-OH 3.49Å; F24-Y168 AromaticContact CE1-CD1 3.49Å; F24-Y168 HydrophobicContact CE1-CD1 3.49Å; F24-Y168 VanDerWaalsContact CE1-CD1 3.49Å; F24-Y168 AromaticContact CE1-CD2 3.78Å; F24-Y168 HydrophobicContact CE1-CD2 3.78Å; F24-Y168 AromaticContact CE1-CE1 3.39Å; F24-Y168 HydrophobicContact CE1-CE1 3.39Å; F24-Y168 AromaticContact CE1-CE2 3.68Å; F24-Y168 HydrophobicContact CE1-CE2 3.68Å; F24-Y168 AromaticContact CE1-CG 3.66Å; F24-Y168 HydrophobicContact CE1-CG 3.66Å; F24-Y168 AromaticContact CE1-CZ 3.44Å; F24-Y168 VanDerWaalsContact CE1-CZ 3.44Å; F24-Y168 AromaticContact CE2-CD2 3.65Å; F24-Y168 HydrophobicContact CE2-CD2 3.65Å; F24-Y168 HydrophobicContact CE2-CE1 4.2Å; F24-Y168 AromaticContact CE2-CE2 3.05Å; F24-Y168 HydrophobicContact CE2-CE2 3.05Å; F24-Y168 HydrophobicContact CE2-CG 4.39Å; F24-Y168 AromaticContact CE2-CZ 3.34Å; F24-Y168 HydrophobicContact CG-CE1 4.32Å; F24-Y168 HydrophobicContact CG-CE2 4.45Å; F24-Y168 AromaticContact CG-CZ 3.89Å; F24-Y168 AromaticContact CZ-CD1 3.74Å; F24-Y168 HydrophobicContact CZ-CD1 3.74Å; F24-Y168 AromaticContact CZ-CD2 3.08Å; F24-Y168 HydrophobicContact CZ-CD2 3.08Å; F24-Y168 AromaticContact CZ-CE1 3.65Å; F24-Y168 HydrophobicContact CZ-CE1 3.65Å; F24-Y168 AromaticContact CZ-CE2 2.97Å; F24-Y168 HydrophobicContact CZ-CE2 2.97Å; F24-Y168 AromaticContact CZ-CG 3.44Å; F24-Y168 HydrophobicContact CZ-CG 3.44Å; F24-Y168 VanDerWaalsContact CZ-CG 3.44Å; F24-Y168 AromaticContact CZ-CZ 3.23Å; F24-Y168 PolarHBondContact N-OH 3.15Å; F24-F171 HydrophobicContact CD1-CE2 4.46Å; F24-F171 HydrophobicContact CE1-CD2 4.23Å; F24-F171 HydrophobicContact CE1-CE2 4.21Å
25A55Low63.4Low81 Ų8182.6 Ų82.667%0.66944%0.444SS*.G310 helixtrans-96.82.7-177.100000113.2N23 E27N23-A25 VanDerWaalsContact C-N 3.29Å; N23-A25 PolarHBondContact O-N 3.45Å; A25-E27 VanDerWaalsContact C-N 3.27Å; A25-E27 PolarHBondContact O-N 2.6Å
26I69.6Low66.4Low64 Ų6476.5 Ų76.533%0.32841%0.412SS..  trans-76.289.4176.2-53.5176.3000107.7L194I26-L194 HydrophobicContact CD1-CB 4.27Å; I26-L194 HydrophobicContact CG2-CB 4.27Å; I26-L194 HydrophobicContact CG2-CD1 4.07Å
27E78.6Confident69.2Low176 Ų17675.9 Ų75.982%0.82242%0.415SS*.PPolyproline II helixtrans-69.9141.2162.7-65.8-171.7166.100108.9A25A25-E27 VanDerWaalsContact C-N 3.27Å; A25-E27 PolarHBondContact O-N 2.6Å
28L89.8Confident72.2Confident18 Ų1873.6 Ų73.69%0.09441%0.414CS..PPolyproline II helixtrans-65.5142.4170.5-65.4-173.2000108.9Q32 I33 I182 R183 Y186 L194L28-Q32 HydrophobicContact CB-CB 3.95Å; L28-Q32 HydrophobicContact CD1-CB 4.31Å; L28-Q32 HydrophobicContact CD2-CB 4.12Å; L28-Q32 HydrophobicContact CG-CB 4.36Å; L28-I33 HydrophobicContact CB-CD1 4.23Å; L28-I33 HydrophobicContact CB-CG1 3.7Å; L28-I33 HydrophobicContact CD1-CG1 4.22Å; L28-I182 HydrophobicContact CD1-CG1 4.46Å; L28-I182 HydrophobicContact CD1-CG2 4.41Å; L28-R183 HydrophobicContact CD2-CG 4.49Å; L28-R183 HydrophobicContact CG-CB 4.41Å; L28-Y186 HydrophobicContact CD1-CD2 4.47Å; L28-Y186 HydrophobicContact CD1-CG 4.07Å; L28-Y186 HydrophobicContact CD2-CD1 3.7Å; L28-Y186 HydrophobicContact CD2-CD2 4.5Å; L28-Y186 HydrophobicContact CD2-CE1 4.26Å; L28-Y186 HydrophobicContact CD2-CG 3.84Å; L28-L194 HydrophobicContact CD2-CD1 3.53Å
29N93.7Very high75.2Confident82 Ų8272.4 Ų72.444%0.43940%0.396SS..PPolyproline II helixtrans-74.517016767.340.9000111D31 Q32 I33N29-D31 VanDerWaalsContact C-N 3.31Å; N29-D31 PolarHBondContact O-N 3.46Å; N29-D31 WeakPolarHBondContact OD1-CB 3.37Å; N29-D31 PolarHBondContact OD1-N 3.3Å; N29-Q32 PolarHBondContact O-N 2.84Å; N29-Q32 WeakPolarHBondContact OD1-CB 3.31Å; N29-Q32 VanDerWaalsContact OD1-CG 3.24Å; N29-Q32 WeakPolarHBondContact OD1-CG 3.29Å; N29-Q32 PolarHBondContact OD1-N 2.83Å; N29-I33 WeakPolarHBondContact O-CG1 3.45Å; N29-I33 PolarHBondContact O-N 3.15Å
30D94.9Very high78.1Confident121 Ų12168.5 Ų68.565%0.64737%0.374SS*.Hα-helixtrans-59.5-40.1-176.4-65.7-26.9000112.3Q32 I33 E34D30-Q32 PolarHBondContact O-N 2.81Å; D30-I33 WeakPolarHBondContact O-CB 3.34Å; D30-I33 PolarHBondContact O-N 2.96Å; D30-E34 WeakPolarHBondContact O-CB 3.31Å; D30-E34 WeakPolarHBondContact O-CG 3.49Å; D30-E34 PolarHBondContact O-N 3.35Å
31D97Very high80.9Confident123 Ų12370.1 Ų70.166%0.65839%0.39SS*.Hα-helixtrans-62.1-42.4178.2-61-26.8000111.8N29 I33 E34 E35N29-D31 VanDerWaalsContact C-N 3.31Å; N29-D31 PolarHBondContact O-N 3.46Å; N29-D31 WeakPolarHBondContact OD1-CB 3.37Å; N29-D31 PolarHBondContact OD1-N 3.3Å; D31-I33 VanDerWaalsContact C-N 3.35Å; D31-E34 PolarHBondContact O-N 3.24Å; D31-E35 PolarHBondContact O-N 3.4Å
32Q95.9Very high83.7Confident33 Ų3370.6 Ų70.615%0.15439%0.385CS..Hα-helixtrans-67.2-36.5177.4-69.2175.6-43.200111.8L28 N29 D30 V36 Y186L28-Q32 HydrophobicContact CB-CB 3.95Å; L28-Q32 HydrophobicContact CD1-CB 4.31Å; L28-Q32 HydrophobicContact CD2-CB 4.12Å; L28-Q32 HydrophobicContact CG-CB 4.36Å; N29-Q32 PolarHBondContact O-N 2.84Å; N29-Q32 WeakPolarHBondContact OD1-CB 3.31Å; N29-Q32 VanDerWaalsContact OD1-CG 3.24Å; N29-Q32 WeakPolarHBondContact OD1-CG 3.29Å; N29-Q32 PolarHBondContact OD1-N 2.83Å; D30-Q32 PolarHBondContact O-N 2.81Å; Q32-V36 WeakPolarHBondContact O-CG2 3.46Å; Q32-V36 PolarHBondContact O-N 3.31Å; Q32-Y186 HydrophobicContact CB-CD2 3.87Å; Q32-Y186 HydrophobicContact CB-CE2 3.6Å; Q32-Y186 HydrophobicContact CG-CD2 4.27Å; Q32-Y186 HydrophobicContact CG-CE1 4.38Å; Q32-Y186 HydrophobicContact CG-CE2 3.51Å; Q32-Y186 VanDerWaalsContact NE2-CZ 3.28Å; Q32-Y186 PolarHBondContact NE2-OH 3.43Å
33I95Very high86.3Confident52 Ų5276 Ų7627%0.26740%0.4SS..Hα-helixtrans-66.4-47.1174.5-73.9171.2000110.1L28 N29 D30 D31 E35 V36 I37 I182L28-I33 HydrophobicContact CB-CD1 4.23Å; L28-I33 HydrophobicContact CB-CG1 3.7Å; L28-I33 HydrophobicContact CD1-CG1 4.22Å; N29-I33 WeakPolarHBondContact O-CG1 3.45Å; N29-I33 PolarHBondContact O-N 3.15Å; D30-I33 WeakPolarHBondContact O-CB 3.34Å; D30-I33 PolarHBondContact O-N 2.96Å; D31-I33 VanDerWaalsContact C-N 3.35Å; I33-E35 VanDerWaalsContact C-N 3.33Å; I33-E35 PolarHBondContact O-N 3.07Å; I33-V36 PolarHBondContact O-N 2.92Å; I33-I37 HydrophobicContact CG2-CD1 3.62Å; I33-I37 HydrophobicContact CG2-CG1 4.44Å; I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 3.04Å; I33-I182 HydrophobicContact CB-CD1 4.08Å; I33-I182 HydrophobicContact CG1-CD1 4.12Å; I33-I182 HydrophobicContact CG2-CD1 3.66Å
34E96.5Very high88.6Confident128 Ų12878.1 Ų78.160%0.59841%0.411SS*.Hα-helixtrans-61.9-39.3179-77.3-172.4179.500112.1D30 D31 V36 I37 A38D30-E34 WeakPolarHBondContact O-CB 3.31Å; D30-E34 WeakPolarHBondContact O-CG 3.49Å; D30-E34 PolarHBondContact O-N 3.35Å; D31-E34 PolarHBondContact O-N 3.24Å; E34-V36 PolarHBondContact O-N 3.08Å; E34-I37 PolarHBondContact O-N 3.24Å; E34-A38 VanDerWaalsContact O-CB 3.29Å; E34-A38 WeakPolarHBondContact O-CB 3.14Å; E34-A38 PolarHBondContact O-N 3.03Å
35E97.3Very high90.9Very high80 Ų8081 Ų8137%0.37442%0.423SS..Hα-helixtrans-55.6-49.9174.6-174.1-172.816300111.4D31 I33 A38 E39 Y186 H190D31-E35 PolarHBondContact O-N 3.4Å; I33-E35 VanDerWaalsContact C-N 3.33Å; I33-E35 PolarHBondContact O-N 3.07Å; E35-A38 PolarHBondContact O-N 3.42Å; E35-E39 PolarHBondContact O-N 2.96Å; E35-Y186 WeakPolarHBondContact OE2-CE2 3.25Å; E35-H190 IonicContact OE1-CD2 2.79Å; E35-H190 IonicContact OE1-CE1 3.01Å; E35-H190 PolarHBondContact OE1-CE1 2.74Å; E35-H190 IonicContact OE1-NE2 2.86Å; E35-H190 PolarHBondContact OE1-NE2 2.93Å; E35-H190 IonicContact OE2-CE1 3.96Å; E35-H190 IonicContact OE2-NE2 2.75Å; E35-H190 PolarHBondContact OE2-NE2 3.04Å; E35-H190 VanDerWaalsContact OE2-NE2 3.13Å
36V96.5Very high92.9Very high0 Ų079.9 Ų79.90%041%0.409CS..Hα-helixtrans-65.5-42179.1179.70000111.3Q32 I33 E34 A38 E39 W40 I182 A185 Y186 L189Q32-V36 WeakPolarHBondContact O-CG2 3.46Å; Q32-V36 PolarHBondContact O-N 3.31Å; I33-V36 PolarHBondContact O-N 2.92Å; E34-V36 PolarHBondContact O-N 3.08Å; V36-A38 VanDerWaalsContact C-N 3.35Å; V36-E39 PolarHBondContact O-N 3.42Å; V36-W40 HydrophobicContact CG1-CD2 3.87Å; V36-W40 HydrophobicContact CG1-CE3 3.94Å; V36-W40 HydrophobicContact CG1-CH2 3.92Å; V36-W40 HydrophobicContact CG1-CZ2 3.84Å; V36-W40 HydrophobicContact CG1-CZ3 3.96Å; V36-W40 PolarHBondContact O-N 3.39Å; V36-I182 HydrophobicContact CB-CD1 4.29Å; V36-I182 HydrophobicContact CB-CG1 3.74Å; V36-I182 HydrophobicContact CG1-CD1 4.46Å; V36-I182 HydrophobicContact CG1-CG1 3.65Å; V36-I182 HydrophobicContact CG2-CG1 4.15Å; V36-A185 HydrophobicContact CG1-CB 3.56Å; V36-A185 HydrophobicContact CG2-CB 4.47Å; V36-Y186 HydrophobicContact CG2-CD2 4.09Å; V36-Y186 HydrophobicContact CG2-CG 4.43Å; V36-L189 HydrophobicContact CG2-CD1 4.28Å
37I95.6Very high94.2Very high79 Ų7983.1 Ų83.141%0.40543%0.427SS..Hα-helixtrans-63.7-42.1178.6-69.8170.3000110.7I33 E34 E39 W40 S41 I182I33-I37 HydrophobicContact CG2-CD1 3.62Å; I33-I37 HydrophobicContact CG2-CG1 4.44Å; I33-I37 WeakPolarHBondContact O-CG1 3.37Å; I33-I37 PolarHBondContact O-N 3.04Å; E34-I37 PolarHBondContact O-N 3.24Å; I37-E39 VanDerWaalsContact C-N 3.28Å; I37-E39 PolarHBondContact O-N 3.44Å; I37-W40 PolarHBondContact O-N 2.79Å; I37-S41 VanDerWaalsContact O-CB 3.31Å; I37-S41 WeakPolarHBondContact O-CB 3.49Å; I37-S41 PolarHBondContact O-N 3.27Å; I37-S41 PolarHBondContact O-OG 2.99Å; I37-I182 HydrophobicContact CD1-CD1 4.35Å; I37-I182 HydrophobicContact CG1-CD1 4.08Å
38A96.4Very high95.1Very high54 Ų5478.1 Ų78.145%0.44640%0.404SS..Hα-helixtrans-61.1-41.4176.400000110.7E34 E35 V36 S41 K42E34-A38 VanDerWaalsContact O-CB 3.29Å; E34-A38 WeakPolarHBondContact O-CB 3.14Å; E34-A38 PolarHBondContact O-N 3.03Å; E35-A38 PolarHBondContact O-N 3.42Å; V36-A38 VanDerWaalsContact C-N 3.35Å; A38-S41 PolarHBondContact O-N 3.19Å; A38-K42 PolarHBondContact O-N 3.13Å
39E95.6Very high95.5Very high23 Ų2381.1 Ų81.111%0.10742%0.423CS..Hα-helixtrans-67-40.1177.8-162.457.7-146.600113E35 V36 I37 S41 K42 L50 R60 L63 L189E35-E39 PolarHBondContact O-N 2.96Å; V36-E39 PolarHBondContact O-N 3.42Å; I37-E39 VanDerWaalsContact C-N 3.28Å; I37-E39 PolarHBondContact O-N 3.44Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 3.27Å; E39-K42 IonicContact OE1-NZ 3.57Å; E39-K42 IonicContact OE2-NZ 3.6Å; E39-K42 PolarHBondContact OE2-NZ 3.02Å; E39-L50 HydrophobicContact CG-CD1 3.82Å; E39-L50 WeakPolarHBondContact OE1-CD1 3.36Å; E39-L50 VanDerWaalsContact OE1-CD2 3.26Å; E39-L50 WeakPolarHBondContact OE1-CD2 3.4Å; E39-R60 PolarHBondContact O-NH1 3.22Å; E39-R60 IonicContact OE1-CZ 2.75Å; E39-R60 IonicContact OE1-NH1 3.01Å; E39-R60 PolarHBondContact OE1-NH1 2.98Å; E39-R60 IonicContact OE1-NH2 2.68Å; E39-R60 PolarHBondContact OE1-NH2 3.13Å; E39-R60 IonicContact OE2-NH1 3.89Å; E39-L63 HydrophobicContact CG-CD2 3.96Å; E39-L189 HydrophobicContact CB-CD1 4.3Å; E39-L189 HydrophobicContact CG-CD1 4.29Å; E39-L189 HydrophobicContact CG-CD2 4.15Å
40W94.1Very high95.7Very high30 Ų3079 Ų7911%0.11441%0.411CS..Hα-helixtrans-67.4-29.6173.7-78.1-21.7000113.4V36 I37 L63 L66 M67 I182 A185V36-W40 HydrophobicContact CG1-CD2 3.87Å; V36-W40 HydrophobicContact CG1-CE3 3.94Å; V36-W40 HydrophobicContact CG1-CH2 3.92Å; V36-W40 HydrophobicContact CG1-CZ2 3.84Å; V36-W40 HydrophobicContact CG1-CZ3 3.96Å; V36-W40 PolarHBondContact O-N 3.39Å; I37-W40 PolarHBondContact O-N 2.79Å; W40-L63 PolarHBondContact NE1-O 3.21Å; W40-L63 VanDerWaalsContact NE1-O 3.13Å; W40-L66 HydrophobicContact CZ2-CB 3.79Å; W40-M67 HydrophobicContact CB-SD 4.47Å; W40-M67 HydrophobicContact CD2-CB 4.19Å; W40-M67 HydrophobicContact CD2-CG 4.24Å; W40-M67 HydrophobicContact CE3-CG 4.31Å; W40-M67 HydrophobicContact CG-CB 4.42Å; W40-M67 HydrophobicContact CG-CG 4.47Å; W40-I182 HydrophobicContact CH2-CB 3.95Å; W40-I182 HydrophobicContact CH2-CG1 4.1Å; W40-I182 HydrophobicContact CZ3-CB 4.23Å; W40-I182 HydrophobicContact CZ3-CD1 4.31Å; W40-I182 HydrophobicContact CZ3-CG1 4.05Å; W40-A185 HydrophobicContact CH2-CB 4.43Å; W40-A185 HydrophobicContact CZ2-CB 3.66Å
41S93.9Very high95.9Very high77 Ų7773.4 Ų73.454%0.53838%0.382SS..Hα-helixtrans-78.1-28-174.7-61.40000113.7I37 A38 E39 Q43I37-S41 VanDerWaalsContact O-CB 3.31Å; I37-S41 WeakPolarHBondContact O-CB 3.49Å; I37-S41 PolarHBondContact O-N 3.27Å; I37-S41 PolarHBondContact O-OG 2.99Å; A38-S41 PolarHBondContact O-N 3.19Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 3.27Å; S41-Q43 PolarHBondContact O-N 2.97Å
42K94.7Very high95.9Very high95 Ų9573.4 Ų73.441%0.41338%0.376SS..  trans-57.9125.3172.4-72.8167.5-177.1173.20109A38 E39 R64A38-K42 PolarHBondContact O-N 3.13Å; E39-K42 IonicContact OE1-NZ 3.57Å; E39-K42 IonicContact OE2-NZ 3.6Å; E39-K42 PolarHBondContact OE2-NZ 3.02Å; K42-R64 PolarHBondContact O-NH2 2.89Å
43Q89.6Confident95.9Very high175 Ų17573 Ų7382%0.81838%0.375SS*.  trans-95.3-20.4-178.4-69.4-158.212.200114.2S41 R64S41-Q43 PolarHBondContact O-N 2.97Å; Q43-R64 VanDerWaalsContact C-NH2 3.29Å; Q43-R64 PolarHBondContact O-NH2 3.41Å; Q43-R64 VanDerWaalsContact O-NH2 3.16Å
44D94.1Very high95.7Very high86 Ų8674.8 Ų74.846%0.4639%0.391SS..SBendtrans-79.1168.5-17763.7-51.7000113.1R60D44-R60 WeakPolarHBondContact O-CD 3.46Å; D44-R60 PolarHBondContact O-NE 3.1Å
45K95.7Very high95.5Very high123 Ų12373.9 Ų73.954%0.53540%0.399SS..  trans47.261.6171.3-53.8172.6-173.7170.10114.8N47 E48K45-N47 PolarHBondContact O-N 3.21Å; K45-N47 VanDerWaalsContact O-N 3.12Å; K45-E48 HydrophobicContact CB-CB 3.87Å; K45-E48 WeakPolarHBondContact O-CB 3.31Å; K45-E48 PolarHBondContact O-N 3.2Å; K45-E48 VanDerWaalsContact O-N 3.11Å
46P96.4Very high95.4Very high58 Ų5871.3 Ų71.338%0.37739%0.387SS..THydrogen-bonded Turntrans-58.5-28.4179.424.2-34.4000113.6T59 R60 A61P46-T59 WeakPolarHBondContact O-CB 3.34Å; P46-T59 PolarHBondContact O-OG1 3.44Å; P46-R60 PolarHBondContact O-N 2.83Å; P46-A61 HydrophobicContact CB-CB 4.11Å; P46-A61 WeakPolarHBondContact O-CB 3.4Å; P46-A61 PolarHBondContact O-N 3.01Å
47N97.6Very high95.5Very high132 Ų13273.8 Ų73.871%0.70640%0.403SS*.THydrogen-bonded Turntrans-94.95.1-177.3-57.2-22.3000113.5K45 V49K45-N47 PolarHBondContact O-N 3.21Å; K45-N47 VanDerWaalsContact O-N 3.12Å; N47-V49 PolarHBondContact O-N 2.89Å
48E97.9Very high95.6Very high71 Ų7170 Ų7033%0.33238%0.384SS..  trans-64.8127173.7179.4174-140.100109.4K45 L50 T59 R60K45-E48 HydrophobicContact CB-CB 3.87Å; K45-E48 WeakPolarHBondContact O-CB 3.31Å; K45-E48 PolarHBondContact O-N 3.2Å; K45-E48 VanDerWaalsContact O-N 3.11Å; E48-L50 HydrophobicContact CG-CD2 4.06Å; E48-L50 PolarHBondContact O-N 3.42Å; E48-T59 CarbonylContact O-C 3.44Å; E48-T59 WeakPolarHBondContact O-CA 3.37Å; E48-R60 PolarHBondContact O-N 3.18Å; E48-R60 IonicContact OE2-CZ 3.83Å; E48-R60 IonicContact OE2-NE 3.13Å; E48-R60 IonicContact OE2-NH2 3.8Å; E48-R60 PolarHBondContact OE2-NH2 3.35Å
49V98Very high95.7Very high81 Ų8168.5 Ų68.549%0.49137%0.369SS..EExtended strand (participates in β ladder)trans-77.3119176.6179.80000108.3N47 A51 P57 T59N47-V49 PolarHBondContact O-N 2.89Å; V49-A51 WeakPolarHBondContact CG1-O 3.38Å; V49-P57 HydrophobicContact CG1-CB 4.01Å; V49-P57 HydrophobicContact CG2-CB 4.14Å; V49-T59 HydrophobicContact CG2-CG2 4.39Å
50L97.9Very high95.8Very high38 Ų3867.7 Ų67.720%0.19937%0.365CS..EExtended strand (participates in β ladder)trans-97.1-29.4-178.7-57-177.6000112.2E39 E48 V58 R60 L63 L189E39-L50 HydrophobicContact CG-CD1 3.82Å; E39-L50 WeakPolarHBondContact OE1-CD1 3.36Å; E39-L50 VanDerWaalsContact OE1-CD2 3.26Å; E39-L50 WeakPolarHBondContact OE1-CD2 3.4Å; E48-L50 HydrophobicContact CG-CD2 4.06Å; E48-L50 PolarHBondContact O-N 3.42Å; L50-V58 PolarHBondContact N-O 3.41Å; L50-R60 HydrophobicContact CD1-CB 3.9Å; L50-R60 HydrophobicContact CD1-CG 4.31Å; L50-R60 HydrophobicContact CG-CB 4.28Å; L50-L63 HydrophobicContact CD1-CB 4.31Å; L50-L63 HydrophobicContact CD1-CD2 3.73Å; L50-L189 HydrophobicContact CB-CD2 3.96Å; L50-L189 HydrophobicContact CD1-CD2 4.21Å
51A97.9Very high95.9Very high4 Ų468 Ų683%0.03337%0.374CS..EExtended strand (participates in β ladder)trans-149.3154.2178.800000110.5V49 V58 F79 I188 E191V49-A51 WeakPolarHBondContact CG1-O 3.38Å; A51-V58 HydrophobicContact CB-CB 4.46Å; A51-V58 PolarHBondContact N-O 3.06Å; A51-V58 PolarHBondContact O-N 3.39Å; A51-F79 HydrophobicContact CB-CE2 4.12Å; A51-F79 HydrophobicContact CB-CZ 3.84Å; A51-I188 HydrophobicContact CB-CG2 4.15Å; A51-I188 WeakPolarHBondContact CB-O 3.46Å; A51-E191 HydrophobicContact CB-CG 4.07Å
52K97.5Very high96.1Very high123 Ų12365.4 Ų65.454%0.53535%0.354SS..EExtended strand (participates in β ladder)trans-148.9110.3177.2-174.5-179.2178.5-179.60111.8I56 E191K52-I56 WeakPolarHBondContact CA-O 3.5Å; K52-E191 PolarHBondContact N-OE1 2.68Å
53L95.4Very high96.2Very high25 Ų2561 Ų6113%0.13134%0.335CS..EExtended strand (participates in β ladder)trans-112.2130.3174.2-175.461000110.4S55 I56 F79 Q82 L83L53-S55 PolarHBondContact O-N 3.09Å; L53-S55 VanDerWaalsContact O-N 3.09Å; L53-I56 PolarHBondContact N-O 2.85Å; L53-I56 WeakPolarHBondContact O-CB 3.24Å; L53-I56 PolarHBondContact O-N 2.97Å; L53-F79 HydrophobicContact CB-CD2 4.1Å; L53-F79 HydrophobicContact CB-CE1 4.07Å; L53-F79 HydrophobicContact CB-CE2 3.57Å; L53-F79 HydrophobicContact CB-CZ 3.54Å; L53-F79 HydrophobicContact CD2-CE1 4.37Å; L53-F79 VanDerWaalsContact N-CE2 3.26Å; L53-Q82 HydrophobicContact CD2-CB 3.65Å; L53-Q82 HydrophobicContact CG-CB 4.11Å; L53-L83 HydrophobicContact CD2-CD2 3.67Å; L53-L83 HydrophobicContact CD2-CG 3.93Å
54C90.7Very high96.5Very high88 Ų8855.5 Ų55.560%0.59531%0.307SS*.THydrogen-bonded Turntrans55.3-112.2-172.6-61.20000111.2
55S92.7Very high96.4Very high110 Ų11052.5 Ų52.577%0.76929%0.292SS*.THydrogen-bonded Turntrans-114.917.9176.6-61.10000112.7L53 P57L53-S55 PolarHBondContact O-N 3.09Å; L53-S55 VanDerWaalsContact O-N 3.09Å; S55-P57 WeakPolarHBondContact O-CD 3.49Å
56I95.9Very high96.3Very high26 Ų2646.7 Ų46.713%0.13327%0.267CS..EExtended strand (participates in β ladder)trans-107.8101.4-174.5-53.7175.9000108.3K52 L53 E75 N78 F79 Q82K52-I56 WeakPolarHBondContact CA-O 3.5Å; L53-I56 PolarHBondContact N-O 2.85Å; L53-I56 WeakPolarHBondContact O-CB 3.24Å; L53-I56 PolarHBondContact O-N 2.97Å; I56-E75 WeakPolarHBondContact CG2-OE2 3.49Å; I56-N78 HydrophobicContact CD1-CB 3.88Å; I56-F79 HydrophobicContact CB-CD2 4.25Å; I56-F79 HydrophobicContact CG2-CB 4.05Å; I56-F79 HydrophobicContact CG2-CD2 3.96Å; I56-Q82 HydrophobicContact CD1-CB 4.47Å; I56-Q82 HydrophobicContact CD1-CG 3.47Å; I56-Q82 VanDerWaalsContact CD1-CG 3.47Å
57P97.7Very high96.1Very high51 Ų5148.3 Ų48.333%0.33127%0.27SS..EExtended strand (participates in β ladder)trans-78.2135.9170.232.6-31.5000110.1V49 S55V49-P57 HydrophobicContact CG1-CB 4.01Å; V49-P57 HydrophobicContact CG2-CB 4.14Å; S55-P57 WeakPolarHBondContact O-CD 3.49Å
58V98.2Very high95.6Very high0 Ų043.9 Ų43.90%026%0.256CS..EExtended strand (participates in β ladder)trans-105.6118.6166.7168.90000108.2L50 A51 D62 L63 I76 F79 I188L50-V58 PolarHBondContact N-O 3.41Å; A51-V58 HydrophobicContact CB-CB 4.46Å; A51-V58 PolarHBondContact N-O 3.06Å; A51-V58 PolarHBondContact O-N 3.39Å; V58-D62 HydrophobicContact CG1-CB 4.05Å; V58-L63 HydrophobicContact CG1-CB 4.29Å; V58-L63 HydrophobicContact CG1-CD1 4.39Å; V58-I76 HydrophobicContact CG1-CD1 3.91Å; V58-I76 HydrophobicContact CG2-CD1 4.3Å; V58-F79 HydrophobicContact CB-CD2 4.33Å; V58-F79 HydrophobicContact CB-CE2 4.42Å; V58-F79 HydrophobicContact CG2-CB 3.87Å; V58-F79 HydrophobicContact CG2-CD2 3.28Å; V58-F79 HydrophobicContact CG2-CE2 3.81Å; V58-F79 HydrophobicContact CG2-CG 3.65Å; V58-I188 HydrophobicContact CB-CG2 4.13Å; V58-I188 HydrophobicContact CG1-CG2 3.85Å; V58-I188 HydrophobicContact CG2-CG2 4.07Å
59T98.2Very high95Very high22 Ų2247.6 Ų47.614%0.13527%0.268CS..EExtended strand (participates in β ladder)trans-86.7167.7173.469.80000111.9P46 E48 V49 A61 D62 L63P46-T59 WeakPolarHBondContact O-CB 3.34Å; P46-T59 PolarHBondContact O-OG1 3.44Å; E48-T59 CarbonylContact O-C 3.44Å; E48-T59 WeakPolarHBondContact O-CA 3.37Å; V49-T59 HydrophobicContact CG2-CG2 4.39Å; T59-A61 VanDerWaalsContact C-N 3.25Å; T59-A61 PolarHBondContact O-N 3.1Å; T59-A61 PolarHBondContact OG1-N 2.64Å; T59-D62 WeakPolarHBondContact CA-OD2 3.23Å; T59-D62 VanDerWaalsContact CB-OD2 3.31Å; T59-D62 WeakPolarHBondContact CB-OD2 3.37Å; T59-D62 PolarHBondContact N-OD2 3.01Å; T59-D62 WeakPolarHBondContact O-CB 3.17Å; T59-D62 PolarHBondContact O-N 2.96Å; T59-D62 VanDerWaalsContact O-N 3.15Å; T59-D62 PolarHBondContact OG1-N 2.96Å; T59-D62 PolarHBondContact OG1-OD2 3.24Å; T59-L63 PolarHBondContact O-N 3.27Å
60R97.7Very high94.6Very high7 Ų747.8 Ų47.83%0.02627%0.266CS..Hα-helixtrans-55.3-40.6170.8-174.7-175.4-62.5-69.7-8.8112.4E39 D44 P46 E48 L50 D62 L63 R64E39-R60 PolarHBondContact O-NH1 3.22Å; E39-R60 IonicContact OE1-CZ 2.75Å; E39-R60 IonicContact OE1-NH1 3.01Å; E39-R60 PolarHBondContact OE1-NH1 2.98Å; E39-R60 IonicContact OE1-NH2 2.68Å; E39-R60 PolarHBondContact OE1-NH2 3.13Å; E39-R60 IonicContact OE2-NH1 3.89Å; D44-R60 WeakPolarHBondContact O-CD 3.46Å; D44-R60 PolarHBondContact O-NE 3.1Å; P46-R60 PolarHBondContact O-N 2.83Å; E48-R60 PolarHBondContact O-N 3.18Å; E48-R60 IonicContact OE2-CZ 3.83Å; E48-R60 IonicContact OE2-NE 3.13Å; E48-R60 IonicContact OE2-NH2 3.8Å; E48-R60 PolarHBondContact OE2-NH2 3.35Å; L50-R60 HydrophobicContact CD1-CB 3.9Å; L50-R60 HydrophobicContact CD1-CG 4.31Å; L50-R60 HydrophobicContact CG-CB 4.28Å; R60-D62 VanDerWaalsContact C-N 3.34Å; R60-L63 PolarHBondContact O-N 3.25Å; R60-R64 WeakPolarHBondContact O-CG 3.31Å; R60-R64 PolarHBondContact O-N 3.39Å; R60-R64 VanDerWaalsContact O-N 3.07Å
61A97.2Very high94.1Very high37 Ų3751.7 Ų51.731%0.30628%0.278SS..Hα-helixtrans-63.4-4117700000111.9P46 T59 R64P46-A61 HydrophobicContact CB-CB 4.11Å; P46-A61 WeakPolarHBondContact O-CB 3.4Å; P46-A61 PolarHBondContact O-N 3.01Å; T59-A61 VanDerWaalsContact C-N 3.25Å; T59-A61 PolarHBondContact O-N 3.1Å; T59-A61 PolarHBondContact OG1-N 2.64Å; A61-R64 PolarHBondContact O-N 3.32Å
62D97.5Very high93.8Very high22 Ų2252 Ų5212%0.11828%0.279CS..Hα-helixtrans-63.4-48.1176.2-55.5-45.9000110.5V58 T59 R60 R64 T65 N73 E75 I76V58-D62 HydrophobicContact CG1-CB 4.05Å; T59-D62 WeakPolarHBondContact CA-OD2 3.23Å; T59-D62 VanDerWaalsContact CB-OD2 3.31Å; T59-D62 WeakPolarHBondContact CB-OD2 3.37Å; T59-D62 PolarHBondContact N-OD2 3.01Å; T59-D62 WeakPolarHBondContact O-CB 3.17Å; T59-D62 PolarHBondContact O-N 2.96Å; T59-D62 VanDerWaalsContact O-N 3.15Å; T59-D62 PolarHBondContact OG1-N 2.96Å; T59-D62 PolarHBondContact OG1-OD2 3.24Å; R60-D62 VanDerWaalsContact C-N 3.34Å; D62-R64 VanDerWaalsContact C-N 3.25Å; D62-R64 PolarHBondContact O-N 2.96Å; D62-T65 VanDerWaalsContact O-CB 3.29Å; D62-T65 WeakPolarHBondContact O-CB 3.36Å; D62-T65 WeakPolarHBondContact O-CG2 3.23Å; D62-T65 PolarHBondContact O-N 3.31Å; D62-T65 PolarHBondContact O-OG1 3.25Å; D62-N73 PolarHBondContact OD1-ND2 3.42Å; D62-E75 HydrophobicContact CB-CB 4.41Å; D62-I76 HydrophobicContact CB-CD1 4.17Å; D62-I76 HydrophobicContact CB-CG1 4.31Å; D62-I76 VanDerWaalsContact O-CG1 3.31Å; D62-I76 WeakPolarHBondContact O-CG1 3.42Å
63L96.4Very high93.5Very high2 Ų247.9 Ų47.91%0.0126%0.263CS..Hα-helixtrans-59.9-34.6179.5-163.775.6000112.4E39 W40 L50 V58 T59 R60 T65 L66 A185 I188 L189E39-L63 HydrophobicContact CG-CD2 3.96Å; W40-L63 PolarHBondContact NE1-O 3.21Å; W40-L63 VanDerWaalsContact NE1-O 3.13Å; L50-L63 HydrophobicContact CD1-CB 4.31Å; L50-L63 HydrophobicContact CD1-CD2 3.73Å; V58-L63 HydrophobicContact CG1-CB 4.29Å; V58-L63 HydrophobicContact CG1-CD1 4.39Å; T59-L63 PolarHBondContact O-N 3.27Å; R60-L63 PolarHBondContact O-N 3.25Å; L63-T65 PolarHBondContact O-N 3.47Å; L63-L66 HydrophobicContact CD1-CD1 4.17Å; L63-L66 WeakPolarHBondContact O-CB 3.25Å; L63-L66 PolarHBondContact O-N 2.94Å; L63-L66 VanDerWaalsContact O-N 3.1Å; L63-A185 HydrophobicContact CD1-CB 4.01Å; L63-A185 HydrophobicContact CG-CB 4.4Å; L63-I188 HydrophobicContact CD1-CB 4.22Å; L63-I188 HydrophobicContact CD1-CG2 3.91Å; L63-L189 HydrophobicContact CD2-CD1 4.18Å; L63-L189 HydrophobicContact CD2-CD2 3.78Å; L63-L189 HydrophobicContact CD2-CG 4Å
64R95.2Very high93.5Very high60 Ų6049 Ų4923%0.22627%0.269CS..G310 helixtrans-66-16.2175.5-76.7177.6-176153.35.8113.8K42 Q43 R60 A61 D62 L66 M67 N70K42-R64 PolarHBondContact O-NH2 2.89Å; Q43-R64 VanDerWaalsContact C-NH2 3.29Å; Q43-R64 PolarHBondContact O-NH2 3.41Å; Q43-R64 VanDerWaalsContact O-NH2 3.16Å; R60-R64 WeakPolarHBondContact O-CG 3.31Å; R60-R64 PolarHBondContact O-N 3.39Å; R60-R64 VanDerWaalsContact O-N 3.07Å; A61-R64 PolarHBondContact O-N 3.32Å; D62-R64 VanDerWaalsContact C-N 3.25Å; D62-R64 PolarHBondContact O-N 2.96Å; R64-L66 PolarHBondContact O-N 3.46Å; R64-M67 VanDerWaalsContact O-CB 3.23Å; R64-M67 WeakPolarHBondContact O-CB 3.39Å; R64-M67 PolarHBondContact O-N 3.33Å; R64-N70 PolarHBondContact O-ND2 3.25Å; R64-N70 VanDerWaalsContact O-ND2 3.1Å
65T93.1Very high93.7Very high22 Ų2247.6 Ų47.614%0.13525%0.254CS..G310 helixtrans-66.2-19.3172.2700000112.4D62 L63 N70 W71 L72 N73 I76D62-T65 VanDerWaalsContact O-CB 3.29Å; D62-T65 WeakPolarHBondContact O-CB 3.36Å; D62-T65 WeakPolarHBondContact O-CG2 3.23Å; D62-T65 PolarHBondContact O-N 3.31Å; D62-T65 PolarHBondContact O-OG1 3.25Å; L63-T65 PolarHBondContact O-N 3.47Å; T65-N70 VanDerWaalsContact O-CB 3.27Å; T65-N70 WeakPolarHBondContact O-CB 3.29Å; T65-W71 WeakPolarHBondContact CB-O 3.37Å; T65-L72 WeakPolarHBondContact O-CD2 3.32Å; T65-N73 HydrophobicContact CG2-CB 4.2Å; T65-I76 WeakPolarHBondContact OG1-CG1 3.47Å
66L92.8Very high93.8Very high2 Ų242.3 Ų42.31%0.0122%0.217CC..G310 helixtrans-80-14.7170.6-68.7157.6000113W40 L63 R64 L72 I76 R181 V184 A185 I188W40-L66 HydrophobicContact CZ2-CB 3.79Å; L63-L66 HydrophobicContact CD1-CD1 4.17Å; L63-L66 WeakPolarHBondContact O-CB 3.25Å; L63-L66 PolarHBondContact O-N 2.94Å; L63-L66 VanDerWaalsContact O-N 3.1Å; R64-L66 PolarHBondContact O-N 3.46Å; L66-L72 HydrophobicContact CD2-CD2 3.56Å; L66-L72 HydrophobicContact CG-CD2 4.01Å; L66-I76 HydrophobicContact CD1-CD1 4.07Å; L66-I76 HydrophobicContact CD1-CG2 4.04Å; L66-I76 HydrophobicContact CD2-CG2 4.09Å; L66-I76 HydrophobicContact CG-CG2 4.07Å; L66-R181 HydrophobicContact CD2-CG 4.49Å; L66-R181 WeakPolarHBondContact O-CB 3.49Å; L66-R181 WeakPolarHBondContact O-CD 3.11Å; L66-V184 HydrophobicContact CD1-CG1 3.9Å; L66-V184 HydrophobicContact CD2-CB 4.06Å; L66-V184 HydrophobicContact CD2-CG1 3.71Å; L66-V184 HydrophobicContact CG-CG1 4.49Å; L66-A185 HydrophobicContact CB-CB 4.48Å; L66-A185 HydrophobicContact CD1-CB 3.9Å; L66-I188 HydrophobicContact CD1-CD1 3.91Å
67M92.1Very high93.7Very high91 Ų9141.2 Ų41.245%0.44821%0.211SC..SBendtrans-68.7134.3180-168.1-174.9-17900111.2W40 R64 Y69 N70W40-M67 HydrophobicContact CB-SD 4.47Å; W40-M67 HydrophobicContact CD2-CB 4.19Å; W40-M67 HydrophobicContact CD2-CG 4.24Å; W40-M67 HydrophobicContact CE3-CG 4.31Å; W40-M67 HydrophobicContact CG-CB 4.42Å; W40-M67 HydrophobicContact CG-CG 4.47Å; R64-M67 VanDerWaalsContact O-CB 3.23Å; R64-M67 WeakPolarHBondContact O-CB 3.39Å; R64-M67 PolarHBondContact O-N 3.33Å; M67-Y69 PolarHBondContact O-N 2.99Å; M67-N70 WeakPolarHBondContact O-CB 3.49Å; M67-N70 VanDerWaalsContact O-CG 3.29Å; M67-N70 PolarHBondContact O-N 3.27Å; M67-N70 PolarHBondContact O-ND2 2.96Å
68G87.7Confident93.6Very high39 Ų3939.5 Ų39.540%0.40220%0.199SC..THydrogen-bonded Turntrans54.5-12217700000112.5R181G68-R181 WeakPolarHBondContact O-CD 3.42Å; G68-R181 PolarHBondContact O-NH1 2.68Å
69Y85.9Confident93.5Very high149 Ų14939.5 Ų39.558%0.58420%0.199SC*.THydrogen-bonded Turntrans-114.519.5-177.9-54.7-70.7000113.4M67 K175M67-Y69 PolarHBondContact O-N 2.99Å; Y69-K175 WeakPolarHBondContact CD1-O 3.36Å; Y69-K175 WeakPolarHBondContact CE1-O 3.46Å
70N88.6Confident93.3Very high85 Ų8538.5 Ų38.546%0.45519%0.193SC..PPolyproline II helixtrans-58.2152.2178.5-69.6-19.6000111.8R64 T65 M67 R181R64-N70 PolarHBondContact O-ND2 3.25Å; R64-N70 VanDerWaalsContact O-ND2 3.1Å; T65-N70 VanDerWaalsContact O-CB 3.27Å; T65-N70 WeakPolarHBondContact O-CB 3.29Å; M67-N70 WeakPolarHBondContact O-CB 3.49Å; M67-N70 VanDerWaalsContact O-CG 3.29Å; M67-N70 PolarHBondContact O-N 3.27Å; M67-N70 PolarHBondContact O-ND2 2.96Å; N70-R181 VanDerWaalsContact N-NH1 3.18Å; N70-R181 VanDerWaalsContact O-CZ 3.28Å; N70-R181 PolarHBondContact O-NH1 3.35Å; N70-R181 PolarHBondContact O-NH2 3.5Å
71W87.6Confident93.1Very high120 Ų12038.2 Ų38.246%0.45519%0.192SC..PPolyproline II helixtrans-73.7127.7173.5-70.4108.9000110.1T65 N139 K175T65-W71 WeakPolarHBondContact CB-O 3.37Å; W71-N139 HydrophobicContact CH2-CB 4.21Å; W71-N139 WeakPolarHBondContact CH2-O 3.35Å; W71-N139 HydrophobicContact CZ2-CB 4.05Å; W71-N139 WeakPolarHBondContact CZ3-O 3.47Å; W71-K175 HydrophobicContact CH2-CD 4.44Å
72L91.2Very high93Very high11 Ų1138.5 Ų38.56%0.05819%0.187CC..PPolyproline II helixtrans-64.1136172.5-53.3-172.3000109.3T65 L66 I76 V77 W141 L172T65-L72 WeakPolarHBondContact O-CD2 3.32Å; L66-L72 HydrophobicContact CD2-CD2 3.56Å; L66-L72 HydrophobicContact CG-CD2 4.01Å; L72-I76 HydrophobicContact CD1-CG2 4.47Å; L72-I76 HydrophobicContact CD2-CG2 4.45Å; L72-V77 HydrophobicContact CB-CG2 4.31Å; L72-W141 PolarHBondContact O-NE1 2.96Å; L72-L172 WeakPolarHBondContact CD1-O 3.34Å
73N92.8Very high92.9Very high36 Ų3637.6 Ų37.619%0.19318%0.182CC..PPolyproline II helixtrans-86.3173.7169.372.81.4000111.4D62 T65 E75 I76 V77D62-N73 PolarHBondContact OD1-ND2 3.42Å; T65-N73 HydrophobicContact CG2-CB 4.2Å; N73-E75 PolarHBondContact OD1-N 3.44Å; N73-I76 WeakPolarHBondContact OD1-CG1 3.09Å; N73-I76 PolarHBondContact OD1-N 2.98Å; N73-V77 WeakPolarHBondContact O-CG2 3.37Å; N73-V77 PolarHBondContact O-N 3.34Å
74D94.1Very high92.6Very high48 Ų4838.3 Ų38.326%0.25719%0.186SC..Hα-helixtrans-65.7-34.3-179.454.3-56.9000113.2V77 N78 T102 F103 W141D74-V77 PolarHBondContact O-N 3.32Å; D74-N78 VanDerWaalsContact O-CB 3.3Å; D74-N78 WeakPolarHBondContact O-CB 3.33Å; D74-N78 VanDerWaalsContact O-CG 3.29Å; D74-N78 PolarHBondContact O-N 2.75Å; D74-N78 PolarHBondContact O-ND2 3.22Å; D74-T102 HydrophobicContact CB-CG2 4.44Å; D74-F103 HydrophobicContact CB-CZ 4.33Å; D74-F103 WeakPolarHBondContact OD2-CZ 3.19Å; D74-W141 HydrophobicContact CB-CH2 4.21Å
75E96.2Very high92.5Very high59 Ų5936 Ų3628%0.27618%0.178SC..Hα-helixtrans-61.1-47.6176.7-67.7-60.7164.700111.5I56 D62 N73 V77 N78 F79I56-E75 WeakPolarHBondContact CG2-OE2 3.49Å; D62-E75 HydrophobicContact CB-CB 4.41Å; N73-E75 PolarHBondContact OD1-N 3.44Å; E75-V77 VanDerWaalsContact C-N 3.35Å; E75-V77 PolarHBondContact O-N 2.83Å; E75-N78 PolarHBondContact O-N 2.99Å; E75-F79 VanDerWaalsContact O-CB 3.23Å; E75-F79 WeakPolarHBondContact O-CB 3.44Å; E75-F79 PolarHBondContact O-N 3.32Å
76I94.8Very high92.6Very high0 Ų037.5 Ų37.50%019%0.19CC..Hα-helixtrans-60.6-43.8176.6-67.3-58.4000111.8V58 D62 T65 L66 L72 N73 Y80 I188V58-I76 HydrophobicContact CG1-CD1 3.91Å; V58-I76 HydrophobicContact CG2-CD1 4.3Å; D62-I76 HydrophobicContact CB-CD1 4.17Å; D62-I76 HydrophobicContact CB-CG1 4.31Å; D62-I76 VanDerWaalsContact O-CG1 3.31Å; D62-I76 WeakPolarHBondContact O-CG1 3.42Å; T65-I76 WeakPolarHBondContact OG1-CG1 3.47Å; L66-I76 HydrophobicContact CD1-CD1 4.07Å; L66-I76 HydrophobicContact CD1-CG2 4.04Å; L66-I76 HydrophobicContact CD2-CG2 4.09Å; L66-I76 HydrophobicContact CG-CG2 4.07Å; L72-I76 HydrophobicContact CD1-CG2 4.47Å; L72-I76 HydrophobicContact CD2-CG2 4.45Å; N73-I76 WeakPolarHBondContact OD1-CG1 3.09Å; N73-I76 PolarHBondContact OD1-N 2.98Å; I76-Y80 WeakPolarHBondContact O-CB 3.3Å; I76-Y80 PolarHBondContact O-N 3.07Å; I76-I188 HydrophobicContact CD1-CD1 3.77Å; I76-I188 HydrophobicContact CG2-CD1 4.1Å
77V93.2Very high92.5Very high2 Ų239.5 Ų39.51%0.01220%0.197CC..Hα-helixtrans-65.9-48.8179.71770000110.5L72 N73 D74 E75 F79 Y80 M81 T102 P134 W141 F173L72-V77 HydrophobicContact CB-CG2 4.31Å; N73-V77 WeakPolarHBondContact O-CG2 3.37Å; N73-V77 PolarHBondContact O-N 3.34Å; D74-V77 PolarHBondContact O-N 3.32Å; E75-V77 VanDerWaalsContact C-N 3.35Å; E75-V77 PolarHBondContact O-N 2.83Å; V77-F79 VanDerWaalsContact C-N 3.34Å; V77-F79 PolarHBondContact O-N 3.42Å; V77-Y80 PolarHBondContact O-N 2.9Å; V77-M81 HydrophobicContact CG1-CE 4.22Å; V77-M81 VanDerWaalsContact O-CG 3.27Å; V77-M81 WeakPolarHBondContact O-CG 3.31Å; V77-M81 PolarHBondContact O-N 2.84Å; V77-T102 HydrophobicContact CB-CG2 3.91Å; V77-T102 HydrophobicContact CG1-CG2 3.62Å; V77-P134 HydrophobicContact CG1-CB 3.86Å; V77-P134 HydrophobicContact CG1-CG 4.45Å; V77-W141 HydrophobicContact CB-CH2 4.42Å; V77-W141 HydrophobicContact CG1-CE3 4.42Å; V77-W141 HydrophobicContact CG1-CZ3 4.29Å; V77-W141 HydrophobicContact CG2-CD2 4.08Å; V77-W141 HydrophobicContact CG2-CE3 4.38Å; V77-W141 HydrophobicContact CG2-CH2 4.27Å; V77-W141 HydrophobicContact CG2-CZ2 3.95Å; V77-W141 HydrophobicContact CG2-CZ3 4.46Å; V77-F173 HydrophobicContact CG1-CE1 4.06Å; V77-F173 HydrophobicContact CG1-CZ 4.08Å; V77-F173 HydrophobicContact CG2-CE1 3.92Å
78N95.5Very high92.4Very high15 Ų1535.6 Ų35.68%0.0818%0.179CC..Hα-helixtrans-61.9-42.1179.6-74.5-49.4000111.5I56 D74 E75 M81 Q82 S101 T102I56-N78 HydrophobicContact CD1-CB 3.88Å; D74-N78 VanDerWaalsContact O-CB 3.3Å; D74-N78 WeakPolarHBondContact O-CB 3.33Å; D74-N78 VanDerWaalsContact O-CG 3.29Å; D74-N78 PolarHBondContact O-N 2.75Å; D74-N78 PolarHBondContact O-ND2 3.22Å; E75-N78 PolarHBondContact O-N 2.99Å; N78-M81 PolarHBondContact O-N 3.24Å; N78-Q82 WeakPolarHBondContact O-CG 3.39Å; N78-Q82 PolarHBondContact O-N 3.02Å; N78-Q82 VanDerWaalsContact O-N 3.09Å; N78-S101 VanDerWaalsContact OD1-CA 3.32Å; N78-S101 WeakPolarHBondContact OD1-CA 3.39Å; N78-T102 PolarHBondContact ND2-OG1 3.09Å; N78-T102 WeakPolarHBondContact OD1-CG2 3.45Å; N78-T102 PolarHBondContact OD1-N 3.35Å; N78-T102 PolarHBondContact OD1-OG1 3.01Å
79F96.8Very high92.7Very high0 Ų040.8 Ų40.80%019%0.191CC..Hα-helixtrans-60.6-47.8177.1-164.7-77.8000111.2A51 L53 I56 V58 E75 V77 M81 Q82 L83 I188 E191A51-F79 HydrophobicContact CB-CE2 4.12Å; A51-F79 HydrophobicContact CB-CZ 3.84Å; L53-F79 HydrophobicContact CB-CD2 4.1Å; L53-F79 HydrophobicContact CB-CE1 4.07Å; L53-F79 HydrophobicContact CB-CE2 3.57Å; L53-F79 HydrophobicContact CB-CZ 3.54Å; L53-F79 HydrophobicContact CD2-CE1 4.37Å; L53-F79 VanDerWaalsContact N-CE2 3.26Å; I56-F79 HydrophobicContact CB-CD2 4.25Å; I56-F79 HydrophobicContact CG2-CB 4.05Å; I56-F79 HydrophobicContact CG2-CD2 3.96Å; V58-F79 HydrophobicContact CB-CD2 4.33Å; V58-F79 HydrophobicContact CB-CE2 4.42Å; V58-F79 HydrophobicContact CG2-CB 3.87Å; V58-F79 HydrophobicContact CG2-CD2 3.28Å; V58-F79 HydrophobicContact CG2-CE2 3.81Å; V58-F79 HydrophobicContact CG2-CG 3.65Å; E75-F79 VanDerWaalsContact O-CB 3.23Å; E75-F79 WeakPolarHBondContact O-CB 3.44Å; E75-F79 PolarHBondContact O-N 3.32Å; V77-F79 VanDerWaalsContact C-N 3.34Å; V77-F79 PolarHBondContact O-N 3.42Å; F79-M81 VanDerWaalsContact C-N 3.31Å; F79-M81 PolarHBondContact O-N 3.38Å; F79-Q82 WeakPolarHBondContact O-CA 3.46Å; F79-Q82 WeakPolarHBondContact O-CB 3.27Å; F79-Q82 PolarHBondContact O-N 2.98Å; F79-L83 HydrophobicContact CD1-CD1 3.94Å; F79-L83 HydrophobicContact CD1-CG 4Å; F79-L83 HydrophobicContact CE1-CD1 3.96Å; F79-L83 HydrophobicContact CE1-CD2 4.15Å; F79-L83 HydrophobicContact CE1-CG 3.97Å; F79-L83 PolarHBondContact O-N 3.04Å; F79-I188 HydrophobicContact CD1-CB 4.38Å; F79-I188 HydrophobicContact CD1-CG1 3.8Å; F79-I188 HydrophobicContact CD1-CG2 4.16Å; F79-I188 HydrophobicContact CE1-CB 4.22Å; F79-I188 HydrophobicContact CE1-CG1 4.08Å; F79-I188 HydrophobicContact CE1-CG2 3.97Å; F79-I188 HydrophobicContact CZ-CG2 4.27Å; F79-E191 HydrophobicContact CZ-CG 4.23Å
80Y93.7Very high93Very high1 Ų137.3 Ų37.30%0.00419%0.192CC..Hα-helixtrans-64.7-35.6179.3-159.3-92.5000112.7I76 V77 Q82 L83 L84 L172 V184 E187 L193I76-Y80 WeakPolarHBondContact O-CB 3.3Å; I76-Y80 PolarHBondContact O-N 3.07Å; V77-Y80 PolarHBondContact O-N 2.9Å; Y80-Q82 VanDerWaalsContact C-N 3.28Å; Y80-Q82 PolarHBondContact O-N 3.33Å; Y80-L83 HydrophobicContact CD2-CD1 3.95Å; Y80-L83 HydrophobicContact CE2-CD1 4.36Å; Y80-L83 WeakPolarHBondContact O-CB 3.27Å; Y80-L83 PolarHBondContact O-N 3.32Å; Y80-L84 HydrophobicContact CD1-CD1 4.21Å; Y80-L84 HydrophobicContact CD1-CG 4.28Å; Y80-L84 HydrophobicContact CE1-CD1 4.31Å; Y80-L84 HydrophobicContact CE1-CD2 4.33Å; Y80-L84 HydrophobicContact CE1-CG 4.22Å; Y80-L84 PolarHBondContact O-N 3.32Å; Y80-L84 VanDerWaalsContact O-N 3.09Å; Y80-L172 HydrophobicContact CD1-CD1 3.34Å; Y80-L172 HydrophobicContact CD1-CD2 3.73Å; Y80-L172 HydrophobicContact CD1-CG 4.08Å; Y80-L172 HydrophobicContact CD2-CD2 4.23Å; Y80-L172 HydrophobicContact CE1-CD1 3.63Å; Y80-L172 HydrophobicContact CE1-CD2 3.97Å; Y80-L172 HydrophobicContact CE1-CG 4.15Å; Y80-L172 HydrophobicContact CE2-CD2 4.46Å; Y80-L172 HydrophobicContact CG-CD1 4.2Å; Y80-L172 HydrophobicContact CG-CD2 3.84Å; Y80-V184 HydrophobicContact CD2-CG1 3.78Å; Y80-V184 HydrophobicContact CD2-CG2 4.39Å; Y80-V184 HydrophobicContact CE2-CB 4.36Å; Y80-V184 HydrophobicContact CE2-CG1 4.01Å; Y80-V184 HydrophobicContact CE2-CG2 3.87Å; Y80-E187 VanDerWaalsContact CE2-OE2 3.25Å; Y80-E187 WeakPolarHBondContact CE2-OE2 3.49Å; Y80-E187 PolarHBondContact OH-OE2 3.24Å; Y80-L193 HydrophobicContact CE1-CD2 4.46Å; Y80-L193 HydrophobicContact CE2-CD2 3.69Å
81M93.1Very high93Very high1 Ų136.6 Ų36.61%0.00519%0.188CC..Hα-helixtrans-61.1-38.5171.9-67.4-58.2138.900111.9V77 N78 F79 L84 V85 A99 L132 P134 L143 L172 F173V77-M81 HydrophobicContact CG1-CE 4.22Å; V77-M81 VanDerWaalsContact O-CG 3.27Å; V77-M81 WeakPolarHBondContact O-CG 3.31Å; V77-M81 PolarHBondContact O-N 2.84Å; N78-M81 PolarHBondContact O-N 3.24Å; F79-M81 VanDerWaalsContact C-N 3.31Å; F79-M81 PolarHBondContact O-N 3.38Å; M81-L84 PolarHBondContact O-N 3.09Å; M81-L84 HydrophobicContact SD-CD1 4.18Å; M81-V85 WeakPolarHBondContact O-CG2 3.45Å; M81-V85 PolarHBondContact O-N 3.19Å; M81-V85 VanDerWaalsContact O-N 3.07Å; M81-A99 HydrophobicContact CB-CB 3.8Å; M81-L132 HydrophobicContact SD-CB 4.26Å; M81-L132 HydrophobicContact SD-CD1 3.97Å; M81-P134 HydrophobicContact CG-CG 4.24Å; M81-L143 HydrophobicContact CE-CD1 4Å; M81-L143 HydrophobicContact CE-CD2 4.32Å; M81-L143 HydrophobicContact SD-CD1 4.02Å; M81-L143 HydrophobicContact SD-CD2 4.47Å; M81-L172 HydrophobicContact CE-CD1 4.04Å; M81-F173 HydrophobicContact CE-CZ 4.12Å
82Q95.6Very high93Very high44 Ų4437 Ų3721%0.20621%0.206CC..Hα-helixtrans-69.4-32.5174.8-65.7-53.2-52.300112.8L53 I56 N78 F79 Y80 L84 V85 S86L53-Q82 HydrophobicContact CD2-CB 3.65Å; L53-Q82 HydrophobicContact CG-CB 4.11Å; I56-Q82 HydrophobicContact CD1-CB 4.47Å; I56-Q82 HydrophobicContact CD1-CG 3.47Å; I56-Q82 VanDerWaalsContact CD1-CG 3.47Å; N78-Q82 WeakPolarHBondContact O-CG 3.39Å; N78-Q82 PolarHBondContact O-N 3.02Å; N78-Q82 VanDerWaalsContact O-N 3.09Å; F79-Q82 WeakPolarHBondContact O-CA 3.46Å; F79-Q82 WeakPolarHBondContact O-CB 3.27Å; F79-Q82 PolarHBondContact O-N 2.98Å; Y80-Q82 VanDerWaalsContact C-N 3.28Å; Y80-Q82 PolarHBondContact O-N 3.33Å; Q82-L84 VanDerWaalsContact C-N 3.33Å; Q82-L84 PolarHBondContact O-N 3.22Å; Q82-V85 PolarHBondContact O-N 2.82Å; Q82-S86 WeakPolarHBondContact O-CB 3.5Å; Q82-S86 PolarHBondContact O-N 2.86Å
83L93.6Very high92.9Very high3 Ų340 Ų402%0.01623%0.225CC..Hα-helixtrans-60.5-42.7171-73.1176.4000111.7L53 F79 Y80 S86 R87 E187 I188 E191 L193L53-L83 HydrophobicContact CD2-CD2 3.67Å; L53-L83 HydrophobicContact CD2-CG 3.93Å; F79-L83 HydrophobicContact CD1-CD1 3.94Å; F79-L83 HydrophobicContact CD1-CG 4Å; F79-L83 HydrophobicContact CE1-CD1 3.96Å; F79-L83 HydrophobicContact CE1-CD2 4.15Å; F79-L83 HydrophobicContact CE1-CG 3.97Å; F79-L83 PolarHBondContact O-N 3.04Å; Y80-L83 HydrophobicContact CD2-CD1 3.95Å; Y80-L83 HydrophobicContact CE2-CD1 4.36Å; Y80-L83 WeakPolarHBondContact O-CB 3.27Å; Y80-L83 PolarHBondContact O-N 3.32Å; L83-S86 PolarHBondContact O-N 3.38Å; L83-R87 PolarHBondContact O-N 2.65Å; L83-E187 HydrophobicContact CD1-CB 4.38Å; L83-I188 HydrophobicContact CD1-CG1 4.22Å; L83-E191 WeakPolarHBondContact CD2-O 3.32Å; L83-L193 HydrophobicContact CB-CD1 4.27Å; L83-L193 HydrophobicContact CB-CD2 3.84Å; L83-L193 HydrophobicContact CB-CG 3.88Å; L83-L193 HydrophobicContact CD1-CD2 4.05Å
84L91.5Very high92.5Very high17 Ų1739.9 Ų39.99%0.08922%0.224CC..Hα-helixtrans-62.9-43.7174.9-66.9170.6000112Y80 M81 Q82 R87 S88 L132 L193Y80-L84 HydrophobicContact CD1-CD1 4.21Å; Y80-L84 HydrophobicContact CD1-CG 4.28Å; Y80-L84 HydrophobicContact CE1-CD1 4.31Å; Y80-L84 HydrophobicContact CE1-CD2 4.33Å; Y80-L84 HydrophobicContact CE1-CG 4.22Å; Y80-L84 PolarHBondContact O-N 3.32Å; Y80-L84 VanDerWaalsContact O-N 3.09Å; M81-L84 PolarHBondContact O-N 3.09Å; M81-L84 HydrophobicContact SD-CD1 4.18Å; Q82-L84 VanDerWaalsContact C-N 3.33Å; Q82-L84 PolarHBondContact O-N 3.22Å; L84-R87 PolarHBondContact O-N 3.2Å; L84-S88 PolarHBondContact O-N 3.49Å; L84-L132 HydrophobicContact CB-CD1 4.35Å; L84-L132 HydrophobicContact CD1-CD1 3.88Å; L84-L193 HydrophobicContact CD2-CD1 3.77Å; L84-L193 HydrophobicContact CG-CD1 4.38Å
85V93.6Very high92.3Very high10 Ų1039.2 Ų39.26%0.06122%0.222CC..Hα-helixtrans-61.1-45.41751720000110.7M81 Q82 R87 S88 K89 V97 A99M81-V85 WeakPolarHBondContact O-CG2 3.45Å; M81-V85 PolarHBondContact O-N 3.19Å; M81-V85 VanDerWaalsContact O-N 3.07Å; Q82-V85 PolarHBondContact O-N 2.82Å; V85-R87 PolarHBondContact O-N 3.49Å; V85-S88 PolarHBondContact O-N 2.97Å; V85-S88 PolarHBondContact O-OG 3.3Å; V85-K89 HydrophobicContact CG1-CD 4.44Å; V85-K89 PolarHBondContact O-N 2.97Å; V85-V97 HydrophobicContact CG2-CB 4.37Å; V85-V97 HydrophobicContact CG2-CG1 3.95Å; V85-A99 HydrophobicContact CG2-CB 3.72Å
86S93.7Very high92.1Very high55 Ų5538.8 Ų38.839%0.38522%0.224SC..Hα-helixtrans-58.9-48.4178.3-175.30000111.4Q82 L83 S88 K89 A90Q82-S86 WeakPolarHBondContact O-CB 3.5Å; Q82-S86 PolarHBondContact O-N 2.86Å; L83-S86 PolarHBondContact O-N 3.38Å; S86-S88 VanDerWaalsContact C-N 3.31Å; S86-S88 PolarHBondContact O-N 2.9Å; S86-K89 PolarHBondContact O-N 3.26Å; S86-K89 VanDerWaalsContact O-N 3.11Å; S86-A90 PolarHBondContact O-N 3.05Å
87R91.9Very high91.9Very high43 Ų4339.4 Ų39.416%0.16223%0.227CC..Hα-helixtrans-60.2-39.8176.3-174.317665.8169.7-2.9112.5L83 L84 V85 K89 A90 I91 L94 L193L83-R87 PolarHBondContact O-N 2.65Å; L84-R87 PolarHBondContact O-N 3.2Å; V85-R87 PolarHBondContact O-N 3.49Å; R87-K89 PolarHBondContact O-N 3.48Å; R87-A90 PolarHBondContact O-N 3.14Å; R87-I91 HydrophobicContact CG-CD1 3.83Å; R87-I91 HydrophobicContact CG-CG1 4.46Å; R87-I91 PolarHBondContact O-N 3.25Å; R87-I91 VanDerWaalsContact O-N 3.15Å; R87-L94 HydrophobicContact CG-CD1 3.92Å; R87-L193 HydrophobicContact CB-CD1 3.99Å
88S90.1Very high92Very high9 Ų941.2 Ų41.26%0.06323%0.234CC..Hα-helixtrans-61.4-32.6177.678.70000113L84 V85 S86 P95 V97L84-S88 PolarHBondContact O-N 3.49Å; V85-S88 PolarHBondContact O-N 2.97Å; V85-S88 PolarHBondContact O-OG 3.3Å; S86-S88 VanDerWaalsContact C-N 3.31Å; S86-S88 PolarHBondContact O-N 2.9Å; S88-P95 WeakPolarHBondContact CB-O 3.46Å; S88-V97 PolarHBondContact OG-N 3.26Å
89K93.3Very high91.9Very high149 Ų14941 Ų4165%0.64823%0.234SC*.Hα-helixtrans-79.9-36.4177-65.8173.8-179.2177.20112.1V85 S86 R87V85-K89 HydrophobicContact CG1-CD 4.44Å; V85-K89 PolarHBondContact O-N 2.97Å; S86-K89 PolarHBondContact O-N 3.26Å; S86-K89 VanDerWaalsContact O-N 3.11Å; R87-K89 PolarHBondContact O-N 3.48Å
90A91.5Very high91.9Very high75 Ų7541.4 Ų41.462%0.6224%0.236SC*.Hα-helixtrans-74.1-26.5-175.700000113.6S86 R87S86-A90 PolarHBondContact O-N 3.05Å; R87-A90 PolarHBondContact O-N 3.14Å
91I89.5Confident92Very high70 Ų7043.1 Ų43.136%0.35925%0.248SC..  trans-116.9100-175.6-54.1178.6000108.8R87 V93 L94R87-I91 HydrophobicContact CG-CD1 3.83Å; R87-I91 HydrophobicContact CG-CG1 4.46Å; R87-I91 PolarHBondContact O-N 3.25Å; R87-I91 VanDerWaalsContact O-N 3.15Å; I91-V93 HydrophobicContact CG2-CG1 3.89Å; I91-V93 PolarHBondContact O-N 3.21Å; I91-L94 HydrophobicContact CB-CD1 3.81Å; I91-L94 HydrophobicContact CB-CG 3.87Å; I91-L94 HydrophobicContact CD1-CD1 3.91Å; I91-L94 HydrophobicContact CG1-CD1 4.34Å; I91-L94 HydrophobicContact CG2-CD1 4.12Å; I91-L94 HydrophobicContact CG2-CG 3.77Å; I91-L94 WeakPolarHBondContact O-CB 3.4Å; I91-L94 PolarHBondContact O-N 3.42Å
92P88.4Confident92.1Very high128 Ų12843.4 Ų43.483%0.83125%0.25SS*.THydrogen-bonded Turntrans-60.8-22.4-170.9-27.635.6000116L94P92-L94 VanDerWaalsContact C-N 3.26Å
93V88.5Confident92.1Very high75 Ų7546.2 Ų46.246%0.45526%0.262SS..THydrogen-bonded Turntrans-80.3-6.5176.6760000112.4Y16 I91Y16-V93 WeakPolarHBondContact CE1-O 3.49Å; Y16-V93 HydrophobicContact CE2-CG2 4.25Å; Y16-V93 PolarHBondContact OH-O 3.1Å; I91-V93 HydrophobicContact CG2-CG1 3.89Å; I91-V93 PolarHBondContact O-N 3.21Å
94L84.4Confident92.2Very high33 Ų3347.1 Ų47.117%0.17327%0.266CS..SBendtrans-87150176.9-65.2-174000111.2R87 I91 P92R87-L94 HydrophobicContact CG-CD1 3.92Å; I91-L94 HydrophobicContact CB-CD1 3.81Å; I91-L94 HydrophobicContact CB-CG 3.87Å; I91-L94 HydrophobicContact CD1-CD1 3.91Å; I91-L94 HydrophobicContact CG1-CD1 4.34Å; I91-L94 HydrophobicContact CG2-CD1 4.12Å; I91-L94 HydrophobicContact CG2-CG 3.77Å; I91-L94 WeakPolarHBondContact O-CB 3.4Å; I91-L94 PolarHBondContact O-N 3.42Å; P92-L94 VanDerWaalsContact C-N 3.26Å
95P88.6Confident92.3Very high35 Ų3549.6 Ų49.623%0.22728%0.276CS..PPolyproline II helixtrans-60.8140173.126.2-34.5000110.1S88 D129 L130S88-P95 WeakPolarHBondContact CB-O 3.46Å; P95-D129 HydrophobicContact CB-CB 3.87Å; P95-L130 HydrophobicContact CB-CD1 4.07Å; P95-L130 HydrophobicContact CB-CG 4.21Å; P95-L130 HydrophobicContact CG-CD1 3.74Å; P95-L130 HydrophobicContact CG-CG 4.43Å
96T92.6Very high92.3Very high50 Ų5052.2 Ų52.231%0.30729%0.289SS..PPolyproline II helixtrans-67.3135.5175.955.10000110.5Y128 D129 L130T96-Y128 WeakPolarHBondContact OG1-CA 3.4Å; T96-D129 PolarHBondContact N-OD2 3.48Å; T96-D129 PolarHBondContact O-N 3.36Å; T96-D129 VanDerWaalsContact O-N 3.15Å; T96-D129 VanDerWaalsContact OG1-CG 3.23Å; T96-D129 PolarHBondContact OG1-N 3.5Å; T96-D129 PolarHBondContact OG1-OD2 3.32Å; T96-L130 PolarHBondContact O-N 3.26Å
97V91.4Very high92.5Very high12 Ų1253.7 Ų53.77%0.07329%0.289CS..EExtended strand (participates in β ladder)trans-120.7132.6-174.8-178.30000111.1V85 S88 Y128 L130 L132V85-V97 HydrophobicContact CG2-CB 4.37Å; V85-V97 HydrophobicContact CG2-CG1 3.95Å; S88-V97 PolarHBondContact OG-N 3.26Å; V97-Y128 VanDerWaalsContact C-CD1 3.4Å; V97-Y128 WeakPolarHBondContact O-CD1 2.95Å; V97-Y128 WeakPolarHBondContact O-CE1 2.71Å; V97-L130 WeakPolarHBondContact CA-O 3.24Å; V97-L130 HydrophobicContact CG2-CB 4.26Å; V97-L130 HydrophobicContact CG2-CD1 4.29Å; V97-L132 HydrophobicContact CG1-CD1 3.57Å; V97-L132 HydrophobicContact CG1-CG 3.67Å
98Y94.4Very high92.7Very high41 Ų4154.5 Ų54.516%0.16130%0.296CS..EExtended strand (participates in β ladder)trans-112.5133.8160.7-178.3-89.7000109.2F100 T120 V123 I125 Y128 L130 L131 L132Y98-F100 AromaticContact CD1-CD2 3.93Å; Y98-F100 HydrophobicContact CD1-CD2 3.93Å; Y98-F100 AromaticContact CD1-CE2 3.75Å; Y98-F100 HydrophobicContact CD1-CE2 3.75Å; Y98-F100 HydrophobicContact CD1-CG 4.45Å; Y98-F100 HydrophobicContact CD1-CZ 4.12Å; Y98-F100 AromaticContact CE1-CD1 3.87Å; Y98-F100 HydrophobicContact CE1-CD1 3.87Å; Y98-F100 AromaticContact CE1-CD2 3.81Å; Y98-F100 HydrophobicContact CE1-CD2 3.81Å; Y98-F100 AromaticContact CE1-CE1 3.75Å; Y98-F100 HydrophobicContact CE1-CE1 3.75Å; Y98-F100 AromaticContact CE1-CE2 3.7Å; Y98-F100 HydrophobicContact CE1-CE2 3.7Å; Y98-F100 AromaticContact CE1-CG 3.91Å; Y98-F100 HydrophobicContact CE1-CG 3.91Å; Y98-F100 AromaticContact CE1-CZ 3.67Å; Y98-F100 HydrophobicContact CE1-CZ 3.67Å; Y98-T120 HydrophobicContact CE1-CG2 4.45Å; Y98-V123 HydrophobicContact CD2-CG1 3.93Å; Y98-V123 HydrophobicContact CE2-CB 4.37Å; Y98-V123 HydrophobicContact CE2-CG1 3.75Å; Y98-V123 HydrophobicContact CE2-CG2 4.41Å; Y98-I125 HydrophobicContact CD1-CG2 4.13Å; Y98-I125 HydrophobicContact CE1-CG2 4.07Å; Y98-I125 HydrophobicContact CG-CG2 4.39Å; Y98-Y128 HydrophobicContact CD2-CD2 4.49Å; Y98-Y128 HydrophobicContact CD2-CE2 4.01Å; Y98-Y128 HydrophobicContact CG-CD2 4.45Å; Y98-Y128 HydrophobicContact CG-CE2 4.41Å; Y98-L130 PolarHBondContact N-O 2.99Å; Y98-L131 HydrophobicContact CD1-CD2 4.21Å; Y98-L131 HydrophobicContact CG-CD2 4.34Å; Y98-L131 CarbonylContact O-C 3.58Å; Y98-L131 WeakPolarHBondContact O-CA 3.37Å; Y98-L132 PolarHBondContact O-N 3.33Å
99A94.3Very high92.9Very high9 Ų960.5 Ų60.57%0.07432%0.323CS..EExtended strand (participates in β ladder)trans-118.9127.9177.400000111.1M81 V85 L132M81-A99 HydrophobicContact CB-CB 3.8Å; V85-A99 HydrophobicContact CG2-CB 3.72Å; A99-L132 WeakPolarHBondContact CA-O 3.49Å; A99-L132 HydrophobicContact CB-CB 4.07Å
100F96.1Very high93Very high10 Ų1062.7 Ų62.74%0.04433%0.327CS..  trans-78.3152.3171.1-71.3-89.9000110.8Y98 F104 T120 I125 L131 L132 I133 P134Y98-F100 AromaticContact CD1-CD2 3.93Å; Y98-F100 HydrophobicContact CD1-CD2 3.93Å; Y98-F100 AromaticContact CD1-CE2 3.75Å; Y98-F100 HydrophobicContact CD1-CE2 3.75Å; Y98-F100 HydrophobicContact CD1-CG 4.45Å; Y98-F100 HydrophobicContact CD1-CZ 4.12Å; Y98-F100 AromaticContact CE1-CD1 3.87Å; Y98-F100 HydrophobicContact CE1-CD1 3.87Å; Y98-F100 AromaticContact CE1-CD2 3.81Å; Y98-F100 HydrophobicContact CE1-CD2 3.81Å; Y98-F100 AromaticContact CE1-CE1 3.75Å; Y98-F100 HydrophobicContact CE1-CE1 3.75Å; Y98-F100 AromaticContact CE1-CE2 3.7Å; Y98-F100 HydrophobicContact CE1-CE2 3.7Å; Y98-F100 AromaticContact CE1-CG 3.91Å; Y98-F100 HydrophobicContact CE1-CG 3.91Å; Y98-F100 AromaticContact CE1-CZ 3.67Å; Y98-F100 HydrophobicContact CE1-CZ 3.67Å; F100-F104 HydrophobicContact CB-CB 3.83Å; F100-F104 HydrophobicContact CB-CD1 4.01Å; F100-F104 HydrophobicContact CB-CG 3.94Å; F100-F104 HydrophobicContact CD1-CB 4.05Å; F100-F104 AromaticContact CD1-CD1 3.72Å; F100-F104 HydrophobicContact CD1-CD1 3.72Å; F100-F104 AromaticContact CD1-CD2 3.4Å; F100-F104 HydrophobicContact CD1-CD2 3.4Å; F100-F104 VanDerWaalsContact CD1-CD2 3.4Å; F100-F104 AromaticContact CD1-CE1 3.96Å; F100-F104 HydrophobicContact CD1-CE1 3.96Å; F100-F104 AromaticContact CD1-CE2 3.66Å; F100-F104 HydrophobicContact CD1-CE2 3.66Å; F100-F104 AromaticContact CD1-CG 3.42Å; F100-F104 HydrophobicContact CD1-CG 3.42Å; F100-F104 VanDerWaalsContact CD1-CG 3.42Å; F100-F104 AromaticContact CD1-CZ 3.93Å; F100-F104 HydrophobicContact CD1-CZ 3.93Å; F100-F104 HydrophobicContact CE1-CD1 4.31Å; F100-F104 AromaticContact CE1-CD2 3.77Å; F100-F104 HydrophobicContact CE1-CD2 3.77Å; F100-F104 HydrophobicContact CE1-CE1 4.09Å; F100-F104 AromaticContact CE1-CE2 3.51Å; F100-F104 HydrophobicContact CE1-CE2 3.51Å; F100-F104 HydrophobicContact CE1-CG 4.16Å; F100-F104 AromaticContact CE1-CZ 3.68Å; F100-F104 HydrophobicContact CE1-CZ 3.68Å; F100-F104 HydrophobicContact CG-CB 4.3Å; F100-F104 AromaticContact CG-CD1 3.84Å; F100-F104 HydrophobicContact CG-CD1 3.84Å; F100-F104 HydrophobicContact CG-CD2 4.31Å; F100-F104 HydrophobicContact CG-CE1 4.21Å; F100-F104 AromaticContact CG-CG 3.88Å; F100-F104 HydrophobicContact CG-CG 3.88Å; F100-F104 HydrophobicContact CZ-CE1 4.45Å; F100-F104 HydrophobicContact CZ-CE2 4.41Å; F100-F104 HydrophobicContact CZ-CZ 4.16Å; F100-T120 HydrophobicContact CE1-CG2 3.76Å; F100-T120 HydrophobicContact CZ-CG2 4.16Å; F100-I125 HydrophobicContact CZ-CD1 4.33Å; F100-I125 HydrophobicContact CZ-CG2 4.35Å; F100-L131 HydrophobicContact CE2-CB 4.36Å; F100-L132 PolarHBondContact N-O 3.11Å; F100-I133 HydrophobicContact CD2-CD1 4.45Å; F100-I133 HydrophobicContact CD2-CG1 3.56Å; F100-I133 HydrophobicContact CE2-CG1 4.09Å; F100-I133 HydrophobicContact CG-CG1 4.3Å; F100-P134 VanDerWaalsContact O-CD 3.24Å; F100-P134 WeakPolarHBondContact O-CD 3.14Å; F100-P134 WeakPolarHBondContact O-CG 3.41Å
101S96Very high93.3Very high37 Ų3761.7 Ų61.726%0.25932%0.316SS..  trans-63.9149.2168.1164.80000111N78 F103 F104N78-S101 VanDerWaalsContact OD1-CA 3.32Å; N78-S101 WeakPolarHBondContact OD1-CA 3.39Å; S101-F103 PolarHBondContact O-N 2.79Å; S101-F103 VanDerWaalsContact OG-CD2 3.31Å; S101-F103 WeakPolarHBondContact OG-CD2 3.4Å; S101-F103 PolarHBondContact OG-N 3.15Å; S101-F104 WeakPolarHBondContact O-CB 3.4Å; S101-F104 PolarHBondContact O-N 2.89Å
102T94.7Very high93.6Very high7 Ų760 Ų604%0.04332%0.315CS..THydrogen-bonded Turntrans-51.5-23.4171.454.20000114.1D74 V77 N78 P134 W141D74-T102 HydrophobicContact CB-CG2 4.44Å; V77-T102 HydrophobicContact CB-CG2 3.91Å; V77-T102 HydrophobicContact CG1-CG2 3.62Å; N78-T102 PolarHBondContact ND2-OG1 3.09Å; N78-T102 WeakPolarHBondContact OD1-CG2 3.45Å; N78-T102 PolarHBondContact OD1-N 3.35Å; N78-T102 PolarHBondContact OD1-OG1 3.01Å; T102-P134 HydrophobicContact CG2-CB 4.03Å; T102-P134 HydrophobicContact CG2-CG 3.91Å; T102-W141 HydrophobicContact CG2-CH2 3.5Å; T102-W141 HydrophobicContact CG2-CZ3 3.43Å; T102-W141 VanDerWaalsContact CG2-CZ3 3.43Å
103F95.9Very high94Very high102 Ų10260.7 Ų60.745%0.44731%0.307SS..Hα-helixtrans-83.1-15.2177.6-59.6-67.4000114.1D74 S101 F105 L106 K107 W119D74-F103 HydrophobicContact CB-CZ 4.33Å; D74-F103 WeakPolarHBondContact OD2-CZ 3.19Å; S101-F103 PolarHBondContact O-N 2.79Å; S101-F103 VanDerWaalsContact OG-CD2 3.31Å; S101-F103 WeakPolarHBondContact OG-CD2 3.4Å; S101-F103 PolarHBondContact OG-N 3.15Å; F103-F105 PolarHBondContact O-N 2.77Å; F103-L106 PolarHBondContact O-N 3.27Å; F103-K107 WeakPolarHBondContact O-CB 3.46Å; F103-K107 PolarHBondContact O-N 2.77Å; F103-W119 HydrophobicContact CB-CH2 4.02Å
104F96.6Very high94.3Very high23 Ų2361.2 Ų61.210%0.10132%0.319CS..Hα-helixtrans-58.3-53-173.9168.6-103.8000111.9F100 S101 L106 K107 L108 V116 W119 I133F100-F104 HydrophobicContact CB-CB 3.83Å; F100-F104 HydrophobicContact CB-CD1 4.01Å; F100-F104 HydrophobicContact CB-CG 3.94Å; F100-F104 HydrophobicContact CD1-CB 4.05Å; F100-F104 AromaticContact CD1-CD1 3.72Å; F100-F104 HydrophobicContact CD1-CD1 3.72Å; F100-F104 AromaticContact CD1-CD2 3.4Å; F100-F104 HydrophobicContact CD1-CD2 3.4Å; F100-F104 VanDerWaalsContact CD1-CD2 3.4Å; F100-F104 AromaticContact CD1-CE1 3.96Å; F100-F104 HydrophobicContact CD1-CE1 3.96Å; F100-F104 AromaticContact CD1-CE2 3.66Å; F100-F104 HydrophobicContact CD1-CE2 3.66Å; F100-F104 AromaticContact CD1-CG 3.42Å; F100-F104 HydrophobicContact CD1-CG 3.42Å; F100-F104 VanDerWaalsContact CD1-CG 3.42Å; F100-F104 AromaticContact CD1-CZ 3.93Å; F100-F104 HydrophobicContact CD1-CZ 3.93Å; F100-F104 HydrophobicContact CE1-CD1 4.31Å; F100-F104 AromaticContact CE1-CD2 3.77Å; F100-F104 HydrophobicContact CE1-CD2 3.77Å; F100-F104 HydrophobicContact CE1-CE1 4.09Å; F100-F104 AromaticContact CE1-CE2 3.51Å; F100-F104 HydrophobicContact CE1-CE2 3.51Å; F100-F104 HydrophobicContact CE1-CG 4.16Å; F100-F104 AromaticContact CE1-CZ 3.68Å; F100-F104 HydrophobicContact CE1-CZ 3.68Å; F100-F104 HydrophobicContact CG-CB 4.3Å; F100-F104 AromaticContact CG-CD1 3.84Å; F100-F104 HydrophobicContact CG-CD1 3.84Å; F100-F104 HydrophobicContact CG-CD2 4.31Å; F100-F104 HydrophobicContact CG-CE1 4.21Å; F100-F104 AromaticContact CG-CG 3.88Å; F100-F104 HydrophobicContact CG-CG 3.88Å; F100-F104 HydrophobicContact CZ-CE1 4.45Å; F100-F104 HydrophobicContact CZ-CE2 4.41Å; F100-F104 HydrophobicContact CZ-CZ 4.16Å; S101-F104 WeakPolarHBondContact O-CB 3.4Å; S101-F104 PolarHBondContact O-N 2.89Å; F104-L106 PolarHBondContact O-N 3.04Å; F104-K107 PolarHBondContact O-N 2.92Å; F104-L108 HydrophobicContact CE1-CD2 4.2Å; F104-L108 HydrophobicContact CZ-CD2 4.14Å; F104-L108 WeakPolarHBondContact O-CB 3.43Å; F104-L108 PolarHBondContact O-N 3.22Å; F104-V116 HydrophobicContact CD2-CB 4.19Å; F104-V116 HydrophobicContact CD2-CG1 4.12Å; F104-V116 HydrophobicContact CE2-CB 3.9Å; F104-V116 HydrophobicContact CE2-CG1 4.22Å; F104-V116 HydrophobicContact CE2-CG2 3.94Å; F104-W119 HydrophobicContact CB-CE3 4.25Å; F104-W119 HydrophobicContact CB-CZ3 3.93Å; F104-W119 HydrophobicContact CD2-CE3 4.13Å; F104-I133 HydrophobicContact CD1-CG2 3.93Å; F104-I133 HydrophobicContact CE1-CG2 4.33Å
105F93.3Very high94.9Very high68 Ų6860.7 Ų60.730%0.29832%0.322SS..Hα-helixtrans-63-43.9-176.9179.7-95.3000111.4F103 K107 L108 Q109 I133 I135F103-F105 PolarHBondContact O-N 2.77Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.41Å; F105-L108 PolarHBondContact O-N 3.26Å; F105-Q109 WeakPolarHBondContact O-CB 3.38Å; F105-Q109 PolarHBondContact O-N 3.39Å; F105-I133 HydrophobicContact CB-CG2 4.43Å; F105-I135 HydrophobicContact CB-CG1 3.94Å; F105-I135 HydrophobicContact CB-CG2 4.48Å; F105-I135 HydrophobicContact CD1-CB 4.47Å; F105-I135 HydrophobicContact CD1-CD1 4.4Å; F105-I135 HydrophobicContact CD1-CG1 4.28Å; F105-I135 HydrophobicContact CD1-CG2 3.53Å; F105-I135 HydrophobicContact CD2-CD1 3.83Å; F105-I135 HydrophobicContact CD2-CG1 4.19Å; F105-I135 HydrophobicContact CE1-CG2 3.88Å; F105-I135 HydrophobicContact CE2-CD1 4.11Å; F105-I135 HydrophobicContact CG-CD1 3.98Å; F105-I135 HydrophobicContact CG-CG1 3.86Å; F105-I135 HydrophobicContact CG-CG2 4.01Å; F105-I135 HydrophobicContact CZ-CD1 4.5Å
106L93.7Very high95.3Very high65 Ų6559.3 Ų59.334%0.3431%0.313SS..Hα-helixtrans-62.1-40.8178-177.261.9000111.5F103 F104 Q109 R110F103-L106 PolarHBondContact O-N 3.27Å; F104-L106 PolarHBondContact O-N 3.04Å; L106-Q109 PolarHBondContact O-N 2.87Å; L106-R110 HydrophobicContact CD1-CG 4.4Å; L106-R110 WeakPolarHBondContact O-CB 3.25Å; L106-R110 WeakPolarHBondContact O-CG 3.39Å; L106-R110 PolarHBondContact O-N 3.43Å
107K97.3Very high95.4Very high87 Ų8759.3 Ų59.338%0.37831%0.314SS..Hα-helixtrans-67.7-42.5177.6-172.661.7172.7173.70111.7F103 F104 F105 R110 S111 V116 W119F103-K107 WeakPolarHBondContact O-CB 3.46Å; F103-K107 PolarHBondContact O-N 2.77Å; F104-K107 PolarHBondContact O-N 2.92Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.41Å; K107-R110 PolarHBondContact O-N 3.48Å; K107-S111 WeakPolarHBondContact O-CB 3.46Å; K107-S111 PolarHBondContact O-N 3.02Å; K107-V116 HydrophobicContact CB-CG1 3.83Å; K107-V116 HydrophobicContact CG-CG1 3.65Å; K107-W119 HydrophobicContact CB-CZ2 4.29Å; K107-W119 HydrophobicContact CG-CZ2 4.1Å
108L95.8Very high95.6Very high59 Ų5966.6 Ų66.631%0.30935%0.345SS..Hα-helixtrans-60.3-45.7174.7175.563.3000111F104 F105 R110 G112 V116F104-L108 HydrophobicContact CE1-CD2 4.2Å; F104-L108 HydrophobicContact CZ-CD2 4.14Å; F104-L108 WeakPolarHBondContact O-CB 3.43Å; F104-L108 PolarHBondContact O-N 3.22Å; F105-L108 PolarHBondContact O-N 3.26Å; L108-R110 PolarHBondContact O-N 2.9Å; L108-G112 WeakPolarHBondContact O-CA 3.2Å; L108-G112 PolarHBondContact O-N 2.91Å; L108-V116 HydrophobicContact CB-CG1 4.12Å; L108-V116 HydrophobicContact CB-CG2 4.28Å; L108-V116 HydrophobicContact CD1-CG2 3.73Å
109Q93.9Very high95.7Very high136 Ų13669.8 Ų69.864%0.63636%0.357SS*.Hα-helixtrans-62.5-41.7178.7-173-176.73.300112.1F105 L106F105-Q109 WeakPolarHBondContact O-CB 3.38Å; F105-Q109 PolarHBondContact O-N 3.39Å; L106-Q109 PolarHBondContact O-N 2.87Å
110R96.4Very high95.8Very high194 Ų19471 Ų7173%0.73236%0.364SS*.Hα-helixtrans-80.6-35-176.2-73.2179.2173.7177.6-0.3114.3L106 K107 L108L106-R110 HydrophobicContact CD1-CG 4.4Å; L106-R110 WeakPolarHBondContact O-CB 3.25Å; L106-R110 WeakPolarHBondContact O-CG 3.39Å; L106-R110 PolarHBondContact O-N 3.43Å; K107-R110 PolarHBondContact O-N 3.48Å; L108-R110 PolarHBondContact O-N 2.9Å
111S97.3Very high95.7Very high55 Ų5577.7 Ų77.739%0.38539%0.392SS..Hα-helixtrans-121.54.5-169.5-59.10000113.5K107 G115K107-S111 WeakPolarHBondContact O-CB 3.46Å; K107-S111 PolarHBondContact O-N 3.02Å; S111-G115 PolarHBondContact O-N 3.27Å
112G96.4Very high95.7Very high34 Ų3482.4 Ų82.435%0.35142%0.415SS..THydrogen-bonded Turntrans61.7-169.5-175.700000112.9L108 A114 G115L108-G112 WeakPolarHBondContact O-CA 3.2Å; L108-G112 PolarHBondContact O-N 2.91Å; G112-A114 PolarHBondContact O-N 3.5Å; G112-G115 PolarHBondContact O-N 2.86Å; G112-G115 VanDerWaalsContact O-N 3.09Å
113H95.7Very high95.7Very high143 Ų14384.3 Ų84.366%0.66243%0.426SS*.G310 helixtrans-56.3-38.4178.9176.3-101.3000112.5G115 V116 C117H113-G115 PolarHBondContact O-N 2.91Å; H113-G115 VanDerWaalsContact O-N 3.17Å; H113-V116 WeakPolarHBondContact O-CG2 3.36Å; H113-V116 PolarHBondContact O-N 3.33Å; H113-C117 WeakPolarHBondContact O-CB 3.24Å; H113-C117 PolarHBondContact O-N 3.49Å
114A96.3Very high95.6Very high85 Ų8584 Ų8470%0.70243%0.43SS*.G310 helixtrans-58.8-29.8179.100000113.4G112 V116 C117G112-A114 PolarHBondContact O-N 3.5Å; A114-V116 VanDerWaalsContact C-N 3.32Å; A114-V116 PolarHBondContact O-N 3.09Å; A114-C117 PolarHBondContact O-SG 3.24Å
115G96.9Very high95.4Very high22 Ų2284.3 Ų84.323%0.22743%0.432CS..G310 helixtrans-75.5-17.1177.700000114.9S111 G112 H113S111-G115 PolarHBondContact O-N 3.27Å; G112-G115 PolarHBondContact O-N 2.86Å; G112-G115 VanDerWaalsContact O-N 3.09Å; H113-G115 PolarHBondContact O-N 2.91Å; H113-G115 VanDerWaalsContact O-N 3.17Å
116V96.6Very high95.2Very high7 Ų787.3 Ų87.34%0.04245%0.445CS..THydrogen-bonded Turntrans-125.3-9-174.8-61.30000114F104 K107 L108 H113 A114 K118 W119F104-V116 HydrophobicContact CD2-CB 4.19Å; F104-V116 HydrophobicContact CD2-CG1 4.12Å; F104-V116 HydrophobicContact CE2-CB 3.9Å; F104-V116 HydrophobicContact CE2-CG1 4.22Å; F104-V116 HydrophobicContact CE2-CG2 3.94Å; K107-V116 HydrophobicContact CB-CG1 3.83Å; K107-V116 HydrophobicContact CG-CG1 3.65Å; L108-V116 HydrophobicContact CB-CG1 4.12Å; L108-V116 HydrophobicContact CB-CG2 4.28Å; L108-V116 HydrophobicContact CD1-CG2 3.73Å; H113-V116 WeakPolarHBondContact O-CG2 3.36Å; H113-V116 PolarHBondContact O-N 3.33Å; A114-V116 VanDerWaalsContact C-N 3.32Å; A114-V116 PolarHBondContact O-N 3.09Å; V116-K118 PolarHBondContact O-N 2.78Å; V116-W119 HydrophobicContact CB-CG 4.42Å; V116-W119 VanDerWaalsContact O-CB 3.24Å; V116-W119 WeakPolarHBondContact O-CB 3.46Å; V116-W119 PolarHBondContact O-N 3.22Å
117C94.3Very high95.1Very high50 Ų5087.1 Ų87.134%0.33845%0.449SS..THydrogen-bonded Turntrans-57.1-28.5-175.164.30000113.8H113 A114 W119H113-C117 WeakPolarHBondContact O-CB 3.24Å; H113-C117 PolarHBondContact O-N 3.49Å; A114-C117 PolarHBondContact O-SG 3.24Å; C117-W119 VanDerWaalsContact C-N 3.34Å
118K96.6Very high94.9Very high164 Ų16485.5 Ų85.571%0.71344%0.441SS*.THydrogen-bonded Turntrans-78.5-13.9177.2-67.1-175.4179.7179.20114.1V116 T120 K121V116-K118 PolarHBondContact O-N 2.78Å; K118-T120 VanDerWaalsContact C-N 3.28Å; K118-T120 PolarHBondContact O-N 3.36Å; K118-K121 WeakPolarHBondContact O-CB 3.33Å; K118-K121 WeakPolarHBondContact O-CG 3.35Å; K118-K121 PolarHBondContact O-N 3.43Å
119W96.7Very high94.5Very high109 Ų10984.5 Ų84.541%0.41344%0.436SS..THydrogen-bonded Turntrans-71-26.9-174.3-70.537.4000112.2F103 F104 K107 V116 C117F103-W119 HydrophobicContact CB-CH2 4.02Å; F104-W119 HydrophobicContact CB-CE3 4.25Å; F104-W119 HydrophobicContact CB-CZ3 3.93Å; F104-W119 HydrophobicContact CD2-CE3 4.13Å; K107-W119 HydrophobicContact CB-CZ2 4.29Å; K107-W119 HydrophobicContact CG-CZ2 4.1Å; V116-W119 HydrophobicContact CB-CG 4.42Å; V116-W119 VanDerWaalsContact O-CB 3.24Å; V116-W119 WeakPolarHBondContact O-CB 3.46Å; V116-W119 PolarHBondContact O-N 3.22Å; C117-W119 VanDerWaalsContact C-N 3.34Å
120T94.6Very high94.3Very high35 Ų3579.5 Ų79.522%0.21541%0.414CS..THydrogen-bonded Turntrans-115.724.2177.858.30000111.2Y98 F100 K118 D122 V123 I125Y98-T120 HydrophobicContact CE1-CG2 4.45Å; F100-T120 HydrophobicContact CE1-CG2 3.76Å; F100-T120 HydrophobicContact CZ-CG2 4.16Å; K118-T120 VanDerWaalsContact C-N 3.28Å; K118-T120 PolarHBondContact O-N 3.36Å; T120-D122 PolarHBondContact O-N 3.01Å; T120-V123 PolarHBondContact O-N 3.49Å; T120-I125 HydrophobicContact CG2-CG2 3.59Å
121K95Very high94Very high149 Ų14970.7 Ų70.765%0.64838%0.381SS*.THydrogen-bonded Turntrans-62-32.2-174.172.2-179.2-167176.70113.3K118K118-K121 WeakPolarHBondContact O-CB 3.33Å; K118-K121 WeakPolarHBondContact O-CG 3.35Å; K118-K121 PolarHBondContact O-N 3.43Å
122D95.2Very high93.7Very high136 Ų13668.4 Ų68.473%0.72736%0.364SS*.THydrogen-bonded Turntrans-108.113.4-177.2-54.7-45.2000111.7T120T120-D122 PolarHBondContact O-N 3.01Å
123V94.5Very high93.5Very high48 Ų4868 Ų6829%0.29135%0.354SS..  trans-135.3119.3-176.4-177.70000109.9Y98 T120 I125 Y128Y98-V123 HydrophobicContact CD2-CG1 3.93Å; Y98-V123 HydrophobicContact CE2-CB 4.37Å; Y98-V123 HydrophobicContact CE2-CG1 3.75Å; Y98-V123 HydrophobicContact CE2-CG2 4.41Å; T120-V123 PolarHBondContact O-N 3.49Å; V123-I125 HydrophobicContact CG1-CG2 4.28Å; V123-I125 PolarHBondContact O-N 2.92Å; V123-I125 VanDerWaalsContact O-N 3.09Å; V123-Y128 HydrophobicContact CG1-CE2 3.69Å
124D94Very high93.3Very high96 Ų9661.2 Ų61.251%0.51332%0.322SS..  trans-76.793.2167.4-179.913.1000109.9F126 S127D124-F126 PolarHBondContact O-N 3.07Å; D124-F126 WeakPolarHBondContact OD1-CB 3.19Å; D124-F126 PolarHBondContact OD1-N 3.47Å; D124-S127 WeakPolarHBondContact O-CB 3.48Å; D124-S127 PolarHBondContact O-N 3.35Å; D124-S127 VanDerWaalsContact O-N 3.07Å; D124-S127 PolarHBondContact O-OG 3.09Å
125I92.6Very high92.8Very high29 Ų2957.8 Ų57.815%0.14929%0.292CS..G310 helixtrans-62.7-21.2177.960.3172.8000112.8Y98 F100 T120 V123 S127 Y128 L131Y98-I125 HydrophobicContact CD1-CG2 4.13Å; Y98-I125 HydrophobicContact CE1-CG2 4.07Å; Y98-I125 HydrophobicContact CG-CG2 4.39Å; F100-I125 HydrophobicContact CZ-CD1 4.33Å; F100-I125 HydrophobicContact CZ-CG2 4.35Å; T120-I125 HydrophobicContact CG2-CG2 3.59Å; V123-I125 HydrophobicContact CG1-CG2 4.28Å; V123-I125 PolarHBondContact O-N 2.92Å; V123-I125 VanDerWaalsContact O-N 3.09Å; I125-S127 PolarHBondContact O-N 3.17Å; I125-Y128 PolarHBondContact O-N 3.17Å; I125-L131 HydrophobicContact CB-CD1 4.42Å; I125-L131 HydrophobicContact CB-CD2 4.09Å; I125-L131 HydrophobicContact CD1-CD1 4.37Å; I125-L131 WeakPolarHBondContact O-CD2 3.32Å
126F89.2Confident92.3Very high130 Ų13061.4 Ų61.457%0.5730%0.303SS*.G310 helixtrans-80.7-1.8177.4-53.9-79.2000112.7D124 N148 L155D124-F126 PolarHBondContact O-N 3.07Å; D124-F126 WeakPolarHBondContact OD1-CB 3.19Å; D124-F126 PolarHBondContact OD1-N 3.47Å; F126-N148 PolarHBondContact O-ND2 3.36Å; F126-L155 HydrophobicContact CD1-CD1 3.57Å; F126-L155 HydrophobicContact CE1-CB 4.44Å; F126-L155 HydrophobicContact CE1-CD1 3.81Å
127S92Very high91.7Very high62 Ų6265.1 Ų65.143%0.43432%0.322SS..G310 helixtrans-84.3-16.1170.970.80000113.3D124 I125D124-S127 WeakPolarHBondContact O-CB 3.48Å; D124-S127 PolarHBondContact O-N 3.35Å; D124-S127 VanDerWaalsContact O-N 3.07Å; D124-S127 PolarHBondContact O-OG 3.09Å; I125-S127 PolarHBondContact O-N 3.17Å
128Y92.2Very high91Very high53 Ų5368.1 Ų68.121%0.20834%0.344CS..SBendtrans-87.8149.5179.8-65.6-93.1000111.3T96 V97 Y98 V123 I125 N148T96-Y128 WeakPolarHBondContact OG1-CA 3.4Å; V97-Y128 VanDerWaalsContact C-CD1 3.4Å; V97-Y128 WeakPolarHBondContact O-CD1 2.95Å; V97-Y128 WeakPolarHBondContact O-CE1 2.71Å; Y98-Y128 HydrophobicContact CD2-CD2 4.49Å; Y98-Y128 HydrophobicContact CD2-CE2 4.01Å; Y98-Y128 HydrophobicContact CG-CD2 4.45Å; Y98-Y128 HydrophobicContact CG-CE2 4.41Å; V123-Y128 HydrophobicContact CG1-CE2 3.69Å; I125-Y128 PolarHBondContact O-N 3.17Å; Y128-N148 WeakPolarHBondContact O-CB 3.38Å; Y128-N148 PolarHBondContact O-ND2 2.95Å; Y128-N148 VanDerWaalsContact O-ND2 3.07Å
129D88.8Confident90.1Very high37 Ų3765.4 Ų65.420%0.19834%0.337CS..SBendtrans-79.6-33.5177.4-52.9-52.6000111.2P95 T96 N148 R150P95-D129 HydrophobicContact CB-CB 3.87Å; T96-D129 PolarHBondContact N-OD2 3.48Å; T96-D129 PolarHBondContact O-N 3.36Å; T96-D129 VanDerWaalsContact O-N 3.15Å; T96-D129 VanDerWaalsContact OG1-CG 3.23Å; T96-D129 PolarHBondContact OG1-N 3.5Å; T96-D129 PolarHBondContact OG1-OD2 3.32Å; D129-N148 PolarHBondContact O-N 3.23Å; D129-R150 IonicContact OD1-CZ 3.45Å; D129-R150 IonicContact OD1-NE 3.96Å; D129-R150 PolarHBondContact OD1-NE 2.73Å; D129-R150 VanDerWaalsContact OD1-NE 3.11Å; D129-R150 IonicContact OD1-NH2 2.87Å; D129-R150 PolarHBondContact OD1-NH2 2.76Å; D129-R150 IonicContact OD2-NH2 2.63Å
130L89.2Confident89.2Confident32 Ų3264.4 Ų64.417%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-129.3133.7179.4-61.5177.2000112.3P95 T96 V97 Y98 V145 E147P95-L130 HydrophobicContact CB-CD1 4.07Å; P95-L130 HydrophobicContact CB-CG 4.21Å; P95-L130 HydrophobicContact CG-CD1 3.74Å; P95-L130 HydrophobicContact CG-CG 4.43Å; T96-L130 PolarHBondContact O-N 3.26Å; V97-L130 WeakPolarHBondContact CA-O 3.24Å; V97-L130 HydrophobicContact CG2-CB 4.26Å; V97-L130 HydrophobicContact CG2-CD1 4.29Å; Y98-L130 PolarHBondContact N-O 2.99Å; L130-V145 HydrophobicContact CD2-CG1 4.15Å; L130-E147 HydrophobicContact CD2-CB 4.32Å; L130-E147 HydrophobicContact CD2-CG 3.69Å
131L89.8Confident88.8Confident8 Ų863.4 Ų63.44%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-109.9116.9168.5-53.3-177.8000109.9Y98 F100 I125 V145 A146 L155Y98-L131 HydrophobicContact CD1-CD2 4.21Å; Y98-L131 HydrophobicContact CG-CD2 4.34Å; Y98-L131 CarbonylContact O-C 3.58Å; Y98-L131 WeakPolarHBondContact O-CA 3.37Å; F100-L131 HydrophobicContact CE2-CB 4.36Å; I125-L131 HydrophobicContact CB-CD1 4.42Å; I125-L131 HydrophobicContact CB-CD2 4.09Å; I125-L131 HydrophobicContact CD1-CD1 4.37Å; I125-L131 WeakPolarHBondContact O-CD2 3.32Å; L131-V145 CarbonylContact O-C 3.54Å; L131-V145 VanDerWaalsContact O-CA 3.29Å; L131-V145 WeakPolarHBondContact O-CA 3.16Å; L131-A146 HydrophobicContact CB-CB 4.13Å; L131-A146 HydrophobicContact CD1-CB 4.46Å; L131-A146 PolarHBondContact N-O 2.87Å; L131-A146 PolarHBondContact O-N 2.9Å; L131-L155 HydrophobicContact CD1-CD1 4.11Å
132L91Very high88.2Confident8 Ų858.1 Ų58.14%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-95.3125.3175.8-53.8-175.7000110.1M81 L84 V97 Y98 A99 F100 L143 V145M81-L132 HydrophobicContact SD-CB 4.26Å; M81-L132 HydrophobicContact SD-CD1 3.97Å; L84-L132 HydrophobicContact CB-CD1 4.35Å; L84-L132 HydrophobicContact CD1-CD1 3.88Å; V97-L132 HydrophobicContact CG1-CD1 3.57Å; V97-L132 HydrophobicContact CG1-CG 3.67Å; Y98-L132 PolarHBondContact O-N 3.33Å; A99-L132 WeakPolarHBondContact CA-O 3.49Å; A99-L132 HydrophobicContact CB-CB 4.07Å; F100-L132 PolarHBondContact N-O 3.11Å; L132-L143 HydrophobicContact CB-CD1 4.25Å; L132-L143 HydrophobicContact CD2-CD2 4.18Å; L132-V145 HydrophobicContact CD2-CB 4.27Å; L132-V145 HydrophobicContact CD2-CG1 3.78Å; L132-V145 HydrophobicContact CD2-CG2 3.65Å
133I91.9Very high87.6Confident26 Ų2651.8 Ų51.813%0.13328%0.275CS..EExtended strand (participates in β ladder)trans-126.392.4-178.4-57161.6000108.6F100 F104 F105 I135 T144F100-I133 HydrophobicContact CD2-CD1 4.45Å; F100-I133 HydrophobicContact CD2-CG1 3.56Å; F100-I133 HydrophobicContact CE2-CG1 4.09Å; F100-I133 HydrophobicContact CG-CG1 4.3Å; F104-I133 HydrophobicContact CD1-CG2 3.93Å; F104-I133 HydrophobicContact CE1-CG2 4.33Å; F105-I133 HydrophobicContact CB-CG2 4.43Å; I133-I135 HydrophobicContact CG2-CG1 4.15Å; I133-T144 PolarHBondContact N-O 3.38Å; I133-T144 PolarHBondContact O-N 3.06Å
134P91Very high87.2Confident0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-72.1133.7174.128.4-32.6000110.1V77 M81 F100 T102 L143V77-P134 HydrophobicContact CG1-CB 3.86Å; V77-P134 HydrophobicContact CG1-CG 4.45Å; M81-P134 HydrophobicContact CG-CG 4.24Å; F100-P134 VanDerWaalsContact O-CD 3.24Å; F100-P134 WeakPolarHBondContact O-CD 3.14Å; F100-P134 WeakPolarHBondContact O-CG 3.41Å; T102-P134 HydrophobicContact CG2-CB 4.03Å; T102-P134 HydrophobicContact CG2-CG 3.91Å; P134-L143 HydrophobicContact CB-CD1 3.95Å
135I87.7Confident86.7Confident13 Ų1345.9 Ų45.97%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-125.2121.5-174.7-56.9178.5000108.3F105 I133 L137 W141 V142 T144F105-I135 HydrophobicContact CB-CG1 3.94Å; F105-I135 HydrophobicContact CB-CG2 4.48Å; F105-I135 HydrophobicContact CD1-CB 4.47Å; F105-I135 HydrophobicContact CD1-CD1 4.4Å; F105-I135 HydrophobicContact CD1-CG1 4.28Å; F105-I135 HydrophobicContact CD1-CG2 3.53Å; F105-I135 HydrophobicContact CD2-CD1 3.83Å; F105-I135 HydrophobicContact CD2-CG1 4.19Å; F105-I135 HydrophobicContact CE1-CG2 3.88Å; F105-I135 HydrophobicContact CE2-CD1 4.11Å; F105-I135 HydrophobicContact CG-CD1 3.98Å; F105-I135 HydrophobicContact CG-CG1 3.86Å; F105-I135 HydrophobicContact CG-CG2 4.01Å; F105-I135 HydrophobicContact CZ-CD1 4.5Å; I133-I135 HydrophobicContact CG2-CG1 4.15Å; I135-L137 HydrophobicContact CG2-CD2 3.66Å; I135-L137 HydrophobicContact CG2-CG 3.91Å; I135-W141 WeakPolarHBondContact O-CA 3.46Å; I135-V142 WeakPolarHBondContact CA-O 3.49Å; I135-V142 HydrophobicContact CB-CB 4.34Å; I135-V142 PolarHBondContact N-O 3.46Å; I135-V142 PolarHBondContact O-N 3.49Å; I135-T144 VanDerWaalsContact CD1-OG1 3.31Å; I135-T144 WeakPolarHBondContact CD1-OG1 3.43Å
136H85.7Confident86.2Confident97 Ų9744.6 Ų44.645%0.44924%0.237SC..EExtended strand (participates in β ladder)trans-93.5116.6171.8-168-128.5000110.4S138 W141H136-S138 PolarHBondContact CE1-O 2.83Å; H136-S138 VanDerWaalsContact CE1-O 3.22Å; H136-S138 PolarHBondContact NE2-O 2.85Å; H136-W141 HydrophobicContact CB-CD2 4.42Å; H136-W141 HydrophobicContact CB-CE3 3.87Å; H136-W141 HydrophobicContact CB-CH2 3.75Å; H136-W141 HydrophobicContact CB-CZ2 4.32Å; H136-W141 HydrophobicContact CB-CZ3 3.5Å; H136-W141 VanDerWaalsContact CB-CZ3 3.5Å; H136-W141 AromaticContact CD2-CD2 3.68Å; H136-W141 AromaticContact CD2-CE2 3.48Å; H136-W141 VanDerWaalsContact CD2-CE2 3.48Å; H136-W141 AromaticContact CD2-CH2 3.99Å; H136-W141 AromaticContact CD2-CZ2 3.65Å; H136-W141 AromaticContact CD2-NE1 3.93Å; H136-W141 AromaticContact CG-CH2 3.95Å
137L82.8Confident85.7Confident85 Ų8541.1 Ų41.145%0.44522%0.222SC..EExtended strand (participates in β ladder)trans-112.779.7177.8-60.9-178.9000109.9I135 N139 H140 V142I135-L137 HydrophobicContact CG2-CD2 3.66Å; I135-L137 HydrophobicContact CG2-CG 3.91Å; L137-N139 VanDerWaalsContact C-N 3.28Å; L137-N139 PolarHBondContact O-N 3.03Å; L137-H140 WeakPolarHBondContact CA-O 3.38Å; L137-H140 PolarHBondContact N-O 2.85Å; L137-H140 PolarHBondContact O-N 3.3Å; L137-V142 HydrophobicContact CD1-CG2 3.76Å; L137-V142 HydrophobicContact CG-CG2 4.42Å
138S80.6Confident84.9Confident114 Ų11439.2 Ų39.280%0.79721%0.207SC*.THydrogen-bonded Turntrans56.6-76.3179.3-59.50000114.8H136H136-S138 PolarHBondContact CE1-O 2.83Å; H136-S138 VanDerWaalsContact CE1-O 3.22Å; H136-S138 PolarHBondContact NE2-O 2.85Å
139N77.8Confident83.7Confident106 Ų10639 Ų3957%0.56721%0.209SC*.THydrogen-bonded Turntrans-124.525.9179.468.6-16.4000111.1W71 L137W71-N139 HydrophobicContact CH2-CB 4.21Å; W71-N139 WeakPolarHBondContact CH2-O 3.35Å; W71-N139 HydrophobicContact CZ2-CB 4.05Å; W71-N139 WeakPolarHBondContact CZ3-O 3.47Å; L137-N139 VanDerWaalsContact C-N 3.28Å; L137-N139 PolarHBondContact O-N 3.03Å
140H78.6Confident82.6Confident89 Ų8945.7 Ų45.741%0.41223%0.232SC..EExtended strand (participates in β ladder)trans-147.9142177.6-170.259000109.8L137 V142L137-H140 WeakPolarHBondContact CA-O 3.38Å; L137-H140 PolarHBondContact N-O 2.85Å; L137-H140 PolarHBondContact O-N 3.3Å; H140-V142 VanDerWaalsContact CD2-CG2 3.49Å; H140-V142 WeakPolarHBondContact CD2-CG2 3.3Å
141W84.3Confident81.4Confident13 Ų1349.4 Ų49.45%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-105.9137.1174.2-76107.6000109.5L72 D74 V77 T102 I135 H136 F173L72-W141 PolarHBondContact O-NE1 2.96Å; D74-W141 HydrophobicContact CB-CH2 4.21Å; V77-W141 HydrophobicContact CB-CH2 4.42Å; V77-W141 HydrophobicContact CG1-CE3 4.42Å; V77-W141 HydrophobicContact CG1-CZ3 4.29Å; V77-W141 HydrophobicContact CG2-CD2 4.08Å; V77-W141 HydrophobicContact CG2-CE3 4.38Å; V77-W141 HydrophobicContact CG2-CH2 4.27Å; V77-W141 HydrophobicContact CG2-CZ2 3.95Å; V77-W141 HydrophobicContact CG2-CZ3 4.46Å; T102-W141 HydrophobicContact CG2-CH2 3.5Å; T102-W141 HydrophobicContact CG2-CZ3 3.43Å; T102-W141 VanDerWaalsContact CG2-CZ3 3.43Å; I135-W141 WeakPolarHBondContact O-CA 3.46Å; H136-W141 HydrophobicContact CB-CD2 4.42Å; H136-W141 HydrophobicContact CB-CE3 3.87Å; H136-W141 HydrophobicContact CB-CH2 3.75Å; H136-W141 HydrophobicContact CB-CZ2 4.32Å; H136-W141 HydrophobicContact CB-CZ3 3.5Å; H136-W141 VanDerWaalsContact CB-CZ3 3.5Å; H136-W141 AromaticContact CD2-CD2 3.68Å; H136-W141 AromaticContact CD2-CE2 3.48Å; H136-W141 VanDerWaalsContact CD2-CE2 3.48Å; H136-W141 AromaticContact CD2-CH2 3.99Å; H136-W141 AromaticContact CD2-CZ2 3.65Å; H136-W141 AromaticContact CD2-NE1 3.93Å; H136-W141 AromaticContact CG-CH2 3.95Å; W141-F173 HydrophobicContact CB-CB 3.93Å; W141-F173 HydrophobicContact CB-CD1 2.91Å; W141-F173 HydrophobicContact CB-CD2 4.42Å; W141-F173 HydrophobicContact CB-CE1 3.32Å; W141-F173 HydrophobicContact CB-CG 3.5Å; W141-F173 VanDerWaalsContact CB-CG 3.5Å; W141-F173 HydrophobicContact CB-CZ 4.27Å; W141-F173 HydrophobicContact CD2-CD1 4.4Å; W141-F173 HydrophobicContact CD2-CE1 4.05Å; W141-F173 HydrophobicContact CE3-CE1 4.3Å; W141-F173 AromaticContact CG-CD1 3.55Å; W141-F173 HydrophobicContact CG-CD1 3.55Å; W141-F173 AromaticContact CG-CE1 3.67Å; W141-F173 HydrophobicContact CG-CE1 3.67Å; W141-F173 WeakPolarHBondContact O-CB 3.4Å
142V82.5Confident79.6Confident39 Ų3954.8 Ų54.824%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-129.1140.8177.5-179.70000107.6I135 L137 H140I135-V142 WeakPolarHBondContact CA-O 3.49Å; I135-V142 HydrophobicContact CB-CB 4.34Å; I135-V142 PolarHBondContact N-O 3.46Å; I135-V142 PolarHBondContact O-N 3.49Å; L137-V142 HydrophobicContact CD1-CG2 3.76Å; L137-V142 HydrophobicContact CG-CG2 4.42Å; H140-V142 VanDerWaalsContact CD2-CG2 3.49Å; H140-V142 WeakPolarHBondContact CD2-CG2 3.3Å
143L84.2Confident77.7Confident3 Ų360.8 Ų60.82%0.01632%0.32CS..EExtended strand (participates in β ladder)trans-107.8125.1166.4-168.968.2000109.4M81 L132 P134 V145 V169 F173M81-L143 HydrophobicContact CE-CD1 4Å; M81-L143 HydrophobicContact CE-CD2 4.32Å; M81-L143 HydrophobicContact SD-CD1 4.02Å; M81-L143 HydrophobicContact SD-CD2 4.47Å; L132-L143 HydrophobicContact CB-CD1 4.25Å; L132-L143 HydrophobicContact CD2-CD2 4.18Å; P134-L143 HydrophobicContact CB-CD1 3.95Å; L143-V145 HydrophobicContact CD2-CG2 3.83Å; L143-V145 HydrophobicContact CG-CG2 3.97Å; L143-V169 HydrophobicContact CB-CG1 3.41Å; L143-V169 VanDerWaalsContact CB-CG1 3.41Å; L143-V169 HydrophobicContact CD2-CB 3.84Å; L143-V169 HydrophobicContact CD2-CG1 3.22Å; L143-V169 HydrophobicContact CD2-CG2 3.38Å; L143-V169 HydrophobicContact CG-CG1 3.81Å; L143-F173 HydrophobicContact CB-CE2 3.86Å
144T84.7Confident75.7Confident18 Ų1864.7 Ų64.711%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-93.4137.2162.9-61.60000108.2I133 I135I133-T144 PolarHBondContact N-O 3.38Å; I133-T144 PolarHBondContact O-N 3.06Å; I135-T144 VanDerWaalsContact CD1-OG1 3.31Å; I135-T144 WeakPolarHBondContact CD1-OG1 3.43Å
145V83.2Confident73.8Confident1 Ų166.7 Ų66.71%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-124.2124.6174.2-1760000108.9L130 L131 L132 L143 F165L130-V145 HydrophobicContact CD2-CG1 4.15Å; L131-V145 CarbonylContact O-C 3.54Å; L131-V145 VanDerWaalsContact O-CA 3.29Å; L131-V145 WeakPolarHBondContact O-CA 3.16Å; L132-V145 HydrophobicContact CD2-CB 4.27Å; L132-V145 HydrophobicContact CD2-CG1 3.78Å; L132-V145 HydrophobicContact CD2-CG2 3.65Å; L143-V145 HydrophobicContact CD2-CG2 3.83Å; L143-V145 HydrophobicContact CG-CG2 3.97Å; V145-F165 HydrophobicContact CB-CD1 4.27Å; V145-F165 HydrophobicContact CB-CD2 4Å; V145-F165 HydrophobicContact CB-CE1 3.69Å; V145-F165 HydrophobicContact CB-CE2 3.4Å; V145-F165 HydrophobicContact CB-CG 4.43Å; V145-F165 HydrophobicContact CB-CZ 3.24Å; V145-F165 HydrophobicContact CG1-CD1 4.47Å; V145-F165 HydrophobicContact CG1-CE1 3.5Å; V145-F165 VanDerWaalsContact CG1-CE1 3.5Å; V145-F165 HydrophobicContact CG1-CE2 3.84Å; V145-F165 HydrophobicContact CG1-CZ 3.13Å; V145-F165 HydrophobicContact CG2-CD1 3.82Å; V145-F165 HydrophobicContact CG2-CD2 4.02Å; V145-F165 HydrophobicContact CG2-CE1 3.67Å; V145-F165 HydrophobicContact CG2-CE2 3.9Å; V145-F165 HydrophobicContact CG2-CG 4.01Å; V145-F165 HydrophobicContact CG2-CZ 3.75Å
146A82.1Confident71.9Confident3 Ų371.1 Ų71.13%0.02537%0.374CS..EExtended strand (participates in β ladder)trans-101.3128.917200000109.4L131 L155 I157L131-A146 HydrophobicContact CB-CB 4.13Å; L131-A146 HydrophobicContact CD1-CB 4.46Å; L131-A146 PolarHBondContact N-O 2.87Å; L131-A146 PolarHBondContact O-N 2.9Å; A146-L155 HydrophobicContact CB-CD2 3.72Å; A146-I157 HydrophobicContact CB-CG1 4.26Å
147E79.5Confident70.1Confident56 Ų5671.8 Ų71.826%0.26238%0.38SS..EExtended strand (participates in β ladder)trans-98.6120.9177.3-60.1-174170.500108.5L130 I149 F165L130-E147 HydrophobicContact CD2-CB 4.32Å; L130-E147 HydrophobicContact CD2-CG 3.69Å; E147-I149 HydrophobicContact CB-CG1 4.36Å; E147-I149 PolarHBondContact O-N 3.41Å; E147-F165 HydrophobicContact CG-CZ 4.41Å
148N75.5Confident68.3Low23 Ų2370.2 Ų70.212%0.12337%0.37CS..  trans-88.989.7173.3-173.925.2000109.1F126 Y128 D129 R150 L155F126-N148 PolarHBondContact O-ND2 3.36Å; Y128-N148 WeakPolarHBondContact O-CB 3.38Å; Y128-N148 PolarHBondContact O-ND2 2.95Å; Y128-N148 VanDerWaalsContact O-ND2 3.07Å; D129-N148 PolarHBondContact O-N 3.23Å; N148-R150 PolarHBondContact O-N 3.44Å; N148-R150 VanDerWaalsContact O-N 3.13Å; N148-L155 HydrophobicContact CB-CD1 4.22Å
149I67.1Low66.4Low48 Ų4870.5 Ų70.525%0.24637%0.367CS..  trans-79.4101.7178.2-55.1167.9000107.6E147 S151 Y152 K156E147-I149 HydrophobicContact CB-CG1 4.36Å; E147-I149 PolarHBondContact O-N 3.41Å; I149-S151 PolarHBondContact O-N 2.9Å; I149-Y152 HydrophobicContact CB-CD2 3.78Å; I149-Y152 HydrophobicContact CB-CE2 4.45Å; I149-Y152 HydrophobicContact CD1-CD2 4.19Å; I149-Y152 HydrophobicContact CD1-CE2 4.3Å; I149-Y152 HydrophobicContact CG2-CD2 3.44Å; I149-Y152 VanDerWaalsContact CG2-CD2 3.44Å; I149-Y152 HydrophobicContact CG2-CE2 3.8Å; I149-Y152 PolarHBondContact O-N 2.71Å; I149-K156 HydrophobicContact CD1-CB 4.4Å; I149-K156 HydrophobicContact CD1-CD 4.17Å
150R66Low64.5Low177 Ų17769.9 Ų69.967%0.66836%0.357SS*.THydrogen-bonded Turntrans-53.7-23-178.7-59.1-175.3-169.1-165.80.6114.1D129 N148 Y152D129-R150 IonicContact OD1-CZ 3.45Å; D129-R150 IonicContact OD1-NE 3.96Å; D129-R150 PolarHBondContact OD1-NE 2.73Å; D129-R150 VanDerWaalsContact OD1-NE 3.11Å; D129-R150 IonicContact OD1-NH2 2.87Å; D129-R150 PolarHBondContact OD1-NH2 2.76Å; D129-R150 IonicContact OD2-NH2 2.63Å; N148-R150 PolarHBondContact O-N 3.44Å; N148-R150 VanDerWaalsContact O-N 3.13Å; R150-Y152 PolarHBondContact O-N 2.86Å
151S63.1Low62.5Low110 Ų11069 Ų6977%0.76936%0.361SS*.THydrogen-bonded Turntrans-73.3-10.4175.5-51.20000114.3I149I149-S151 PolarHBondContact O-N 2.9Å
152Y52.4Low60.2Low122 Ų12269.8 Ų69.848%0.47837%0.37SS..SBendtrans-116.6136.3177-65-79.3000110.2I149 R150 V154I149-Y152 HydrophobicContact CB-CD2 3.78Å; I149-Y152 HydrophobicContact CB-CE2 4.45Å; I149-Y152 HydrophobicContact CD1-CD2 4.19Å; I149-Y152 HydrophobicContact CD1-CE2 4.3Å; I149-Y152 HydrophobicContact CG2-CD2 3.44Å; I149-Y152 VanDerWaalsContact CG2-CD2 3.44Å; I149-Y152 HydrophobicContact CG2-CE2 3.8Å; I149-Y152 PolarHBondContact O-N 2.71Å; R150-Y152 PolarHBondContact O-N 2.86Å; Y152-V154 PolarHBondContact O-N 2.81Å
153P51.5Low57.8Low134 Ų13474.6 Ų74.687%0.8739%0.394SS*.SBendtrans-71.41.7-179.528.4-34000113.9
154V49.6Very low55.5Low108 Ų10877 Ų7766%0.65541%0.411SS*.SBendtrans-135134.2-175.5-144.70000109.3Y152 K156Y152-V154 PolarHBondContact O-N 2.81Å; V154-K156 PolarHBondContact O-N 2.65Å
155L50.8Low53.1Low42 Ų4277.7 Ų77.722%0.2241%0.412CS..  trans-63.5118.9179.1-163.1131.7000109.7F126 L131 A146 N148 I157F126-L155 HydrophobicContact CD1-CD1 3.57Å; F126-L155 HydrophobicContact CE1-CB 4.44Å; F126-L155 HydrophobicContact CE1-CD1 3.81Å; L131-L155 HydrophobicContact CD1-CD1 4.11Å; A146-L155 HydrophobicContact CB-CD2 3.72Å; N148-L155 HydrophobicContact CB-CD1 4.22Å; L155-I157 HydrophobicContact CD2-CD1 4.42Å; L155-I157 HydrophobicContact CD2-CG1 3.62Å; L155-I157 PolarHBondContact O-N 3.07Å
156K46.9Very low51.2Low105 Ų10580.6 Ų80.646%0.45742%0.423SS..EExtended strand (participates in β ladder)trans-89.896.5-178.9-162.9175.1-176.9179.30108.8I149 V154 Q158I149-K156 HydrophobicContact CD1-CB 4.4Å; I149-K156 HydrophobicContact CD1-CD 4.17Å; V154-K156 PolarHBondContact O-N 2.65Å; K156-Q158 PolarHBondContact O-N 3.38Å; K156-Q158 VanDerWaalsContact O-N 3.14Å
157I49.2Very low49.4Very low112 Ų11282.7 Ų82.757%0.57444%0.437SS*.EExtended strand (participates in β ladder)trans-73.4108172.8-56.6175.8000107.7A146 L155 V159A146-I157 HydrophobicContact CB-CG1 4.26Å; L155-I157 HydrophobicContact CD2-CD1 4.42Å; L155-I157 HydrophobicContact CD2-CG1 3.62Å; L155-I157 PolarHBondContact O-N 3.07Å; I157-V159 HydrophobicContact CG2-CG2 4.3Å
158Q44.8Very low47.6Very low51 Ų5180.8 Ų80.824%0.23843%0.427CS..EExtended strand (participates in β ladder)trans-96.4103.2167.9-90.3-172.9-25.600108.7K156 R160K156-Q158 PolarHBondContact O-N 3.38Å; K156-Q158 VanDerWaalsContact O-N 3.14Å; Q158-R160 HydrophobicContact CB-CG 4.18Å; Q158-R160 PolarHBondContact O-N 3Å; Q158-R160 VanDerWaalsContact OE1-CZ 3.24Å
159V40.1Very low46Very low120 Ų12080.2 Ų80.273%0.72743%0.425SS*.  trans-72.483.9162.3-174.90000106.8I157I157-V159 HydrophobicContact CG2-CG2 4.3Å
160R38.9Very low44.7Very low93 Ų9378.7 Ų78.735%0.35142%0.417SS..  trans-84.9125.5172.1-90.5-176.1-162.8-123.57.8107Q158 S164 F165Q158-R160 HydrophobicContact CB-CG 4.18Å; Q158-R160 PolarHBondContact O-N 3Å; Q158-R160 VanDerWaalsContact OE1-CZ 3.24Å; R160-S164 WeakPolarHBondContact CA-OG 3.36Å; R160-S164 WeakPolarHBondContact CB-OG 3.45Å; R160-S164 VanDerWaalsContact CG-OG 3.25Å; R160-S164 WeakPolarHBondContact CG-OG 3.41Å; R160-F165 HydrophobicContact CB-CD2 3.7Å; R160-F165 HydrophobicContact CB-CE2 4.17Å; R160-F165 HydrophobicContact CG-CD2 4.4Å
161S35.4Very low43.7Very low70 Ų7073.3 Ų73.349%0.4940%0.399SS..  trans-55.2149.5168.3103.80000107.3L163 S164S161-L163 PolarHBondContact O-N 2.87Å; S161-L163 WeakPolarHBondContact OG-CB 3.45Å; S161-L163 PolarHBondContact OG-N 2.81Å; S161-S164 PolarHBondContact N-OG 2.91Å; S161-S164 PolarHBondContact O-N 3.2Å; S161-S164 PolarHBondContact O-OG 3.39Å
162A37.6Very low43Very low30 Ų3068.5 Ų68.525%0.24837%0.365CS..G310 helixtrans-50.3-26.5-176.800000112.2S164 T170A162-S164 VanDerWaalsContact C-N 3.27Å; A162-S164 PolarHBondContact O-N 3.42Å; A162-T170 HydrophobicContact CB-CG2 3.75Å; A162-T170 WeakPolarHBondContact O-CB 3.49Å; A162-T170 WeakPolarHBondContact O-CG2 3.49Å; A162-T170 PolarHBondContact O-OG1 3.21Å
163L31.7Very low43Very low140 Ų14063.6 Ų63.673%0.73335%0.346SS*.G310 helixtrans-65.6-19.4175.5-61.4166.5000115.4S161 T170S161-L163 PolarHBondContact O-N 2.87Å; S161-L163 WeakPolarHBondContact OG-CB 3.45Å; S161-L163 PolarHBondContact OG-N 2.81Å; L163-T170 HydrophobicContact CD2-CG2 4.48Å
164S35.5Very low42.8Very low53 Ų5362.1 Ų62.137%0.37133%0.327SS..G310 helixtrans-108.7-4.3-17557.10000113.8R160 S161 A162R160-S164 WeakPolarHBondContact CA-OG 3.36Å; R160-S164 WeakPolarHBondContact CB-OG 3.45Å; R160-S164 VanDerWaalsContact CG-OG 3.25Å; R160-S164 WeakPolarHBondContact CG-OG 3.41Å; S161-S164 PolarHBondContact N-OG 2.91Å; S161-S164 PolarHBondContact O-N 3.2Å; S161-S164 PolarHBondContact O-OG 3.39Å; A162-S164 VanDerWaalsContact C-N 3.27Å; A162-S164 PolarHBondContact O-N 3.42Å
165F35.1Very low42.8Very low34 Ų3461 Ų6115%0.14931%0.313CS..SBendtrans-90.7148.3162-114.9-93.5000109.6V145 E147 R160 V169V145-F165 HydrophobicContact CB-CD1 4.27Å; V145-F165 HydrophobicContact CB-CD2 4Å; V145-F165 HydrophobicContact CB-CE1 3.69Å; V145-F165 HydrophobicContact CB-CE2 3.4Å; V145-F165 HydrophobicContact CB-CG 4.43Å; V145-F165 HydrophobicContact CB-CZ 3.24Å; V145-F165 HydrophobicContact CG1-CD1 4.47Å; V145-F165 HydrophobicContact CG1-CE1 3.5Å; V145-F165 VanDerWaalsContact CG1-CE1 3.5Å; V145-F165 HydrophobicContact CG1-CE2 3.84Å; V145-F165 HydrophobicContact CG1-CZ 3.13Å; V145-F165 HydrophobicContact CG2-CD1 3.82Å; V145-F165 HydrophobicContact CG2-CD2 4.02Å; V145-F165 HydrophobicContact CG2-CE1 3.67Å; V145-F165 HydrophobicContact CG2-CE2 3.9Å; V145-F165 HydrophobicContact CG2-CG 4.01Å; V145-F165 HydrophobicContact CG2-CZ 3.75Å; E147-F165 HydrophobicContact CG-CZ 4.41Å; R160-F165 HydrophobicContact CB-CD2 3.7Å; R160-F165 HydrophobicContact CB-CE2 4.17Å; R160-F165 HydrophobicContact CG-CD2 4.4Å; F165-V169 HydrophobicContact CB-CB 4.17Å; F165-V169 HydrophobicContact CB-CG1 4.22Å; F165-V169 HydrophobicContact CD1-CG2 4.19Å
166R41.8Very low43Very low61 Ų6166.1 Ų66.123%0.2334%0.336CS..  trans-51.3151.8176-82-172.1-175.1-143.628.9111.1Y16 F17 Q20 Y168 V169Y16-R166 PolarHBondContact O-NH2 3.3Å; F17-R166 VanDerWaalsContact CD1-CZ 3.5Å; Q20-R166 VanDerWaalsContact OE1-NH2 3.17Å; R166-Y168 VanDerWaalsContact C-N 3.28Å; R166-Y168 PolarHBondContact O-N 2.95Å; R166-V169 PolarHBondContact O-N 2.72Å
167P44.4Very low44.1Very low48 Ų4865.3 Ų65.331%0.31234%0.335SS..Hα-helixtrans-60.5-23.2-155-11.211.1000117.1F24 V169 T170 F171F24-P167 HydrophobicContact CD1-CB 4.24Å; F24-P167 HydrophobicContact CD1-CG 4.29Å; F24-P167 HydrophobicContact CD2-CG 4.34Å; F24-P167 HydrophobicContact CE1-CB 3.42Å; F24-P167 VanDerWaalsContact CE1-CB 3.42Å; F24-P167 HydrophobicContact CE1-CG 3.66Å; F24-P167 HydrophobicContact CE2-CB 4.34Å; F24-P167 HydrophobicContact CE2-CG 3.69Å; F24-P167 HydrophobicContact CZ-CB 3.44Å; F24-P167 VanDerWaalsContact CZ-CB 3.44Å; F24-P167 HydrophobicContact CZ-CG 3.28Å; P167-V169 PolarHBondContact O-N 2.96Å; P167-T170 PolarHBondContact O-N 2.94Å; P167-F171 VanDerWaalsContact C-CD2 3.43Å; P167-F171 HydrophobicContact CB-CD2 3.47Å; P167-F171 VanDerWaalsContact CB-CD2 3.47Å; P167-F171 HydrophobicContact CB-CE2 3.07Å; P167-F171 HydrophobicContact CB-CZ 3.91Å; P167-F171 HydrophobicContact CG-CE2 4.24Å; P167-F171 WeakPolarHBondContact O-CB 3.5Å; P167-F171 WeakPolarHBondContact O-CD2 3.38Å; P167-F171 VanDerWaalsContact O-CG 3.25Å; P167-F171 WeakPolarHBondContact O-CG 3.36Å; P167-F171 PolarHBondContact O-N 3.18Å
168Y42Very low45.6Very low16 Ų1663.3 Ų63.36%0.06333%0.329CS..Hα-helixtrans-56.9-35.9-178.2-63.4-70.9000113N23 F24 R166N23-Y168 VanDerWaalsContact CB-OH 3.3Å; N23-Y168 WeakPolarHBondContact CB-OH 3.47Å; F24-Y168 HydrophobicContact CD1-CD1 4.29Å; F24-Y168 AromaticContact CD1-CE1 3.78Å; F24-Y168 HydrophobicContact CD1-CE1 3.78Å; F24-Y168 HydrophobicContact CD1-CE2 4.39Å; F24-Y168 AromaticContact CD1-CZ 3.79Å; F24-Y168 HydrophobicContact CD2-CE1 4.49Å; F24-Y168 AromaticContact CD2-CE2 3.84Å; F24-Y168 HydrophobicContact CD2-CE2 3.84Å; F24-Y168 AromaticContact CD2-CZ 3.66Å; F24-Y168 WeakPolarHBondContact CD2-OH 3.49Å; F24-Y168 AromaticContact CE1-CD1 3.49Å; F24-Y168 HydrophobicContact CE1-CD1 3.49Å; F24-Y168 VanDerWaalsContact CE1-CD1 3.49Å; F24-Y168 AromaticContact CE1-CD2 3.78Å; F24-Y168 HydrophobicContact CE1-CD2 3.78Å; F24-Y168 AromaticContact CE1-CE1 3.39Å; F24-Y168 HydrophobicContact CE1-CE1 3.39Å; F24-Y168 AromaticContact CE1-CE2 3.68Å; F24-Y168 HydrophobicContact CE1-CE2 3.68Å; F24-Y168 AromaticContact CE1-CG 3.66Å; F24-Y168 HydrophobicContact CE1-CG 3.66Å; F24-Y168 AromaticContact CE1-CZ 3.44Å; F24-Y168 VanDerWaalsContact CE1-CZ 3.44Å; F24-Y168 AromaticContact CE2-CD2 3.65Å; F24-Y168 HydrophobicContact CE2-CD2 3.65Å; F24-Y168 HydrophobicContact CE2-CE1 4.2Å; F24-Y168 AromaticContact CE2-CE2 3.05Å; F24-Y168 HydrophobicContact CE2-CE2 3.05Å; F24-Y168 HydrophobicContact CE2-CG 4.39Å; F24-Y168 AromaticContact CE2-CZ 3.34Å; F24-Y168 HydrophobicContact CG-CE1 4.32Å; F24-Y168 HydrophobicContact CG-CE2 4.45Å; F24-Y168 AromaticContact CG-CZ 3.89Å; F24-Y168 AromaticContact CZ-CD1 3.74Å; F24-Y168 HydrophobicContact CZ-CD1 3.74Å; F24-Y168 AromaticContact CZ-CD2 3.08Å; F24-Y168 HydrophobicContact CZ-CD2 3.08Å; F24-Y168 AromaticContact CZ-CE1 3.65Å; F24-Y168 HydrophobicContact CZ-CE1 3.65Å; F24-Y168 AromaticContact CZ-CE2 2.97Å; F24-Y168 HydrophobicContact CZ-CE2 2.97Å; F24-Y168 AromaticContact CZ-CG 3.44Å; F24-Y168 HydrophobicContact CZ-CG 3.44Å; F24-Y168 VanDerWaalsContact CZ-CG 3.44Å; F24-Y168 AromaticContact CZ-CZ 3.23Å; F24-Y168 PolarHBondContact N-OH 3.15Å; R166-Y168 VanDerWaalsContact C-N 3.28Å; R166-Y168 PolarHBondContact O-N 2.95Å
169V42.3Very low47.4Very low11 Ų1165 Ų657%0.06735%0.346CS..Hα-helixtrans-77.7-39.3-176.7167.50000111.1L143 F165 R166 P167 F173L143-V169 HydrophobicContact CB-CG1 3.41Å; L143-V169 VanDerWaalsContact CB-CG1 3.41Å; L143-V169 HydrophobicContact CD2-CB 3.84Å; L143-V169 HydrophobicContact CD2-CG1 3.22Å; L143-V169 HydrophobicContact CD2-CG2 3.38Å; L143-V169 HydrophobicContact CG-CG1 3.81Å; F165-V169 HydrophobicContact CB-CB 4.17Å; F165-V169 HydrophobicContact CB-CG1 4.22Å; F165-V169 HydrophobicContact CD1-CG2 4.19Å; R166-V169 PolarHBondContact O-N 2.72Å; P167-V169 PolarHBondContact O-N 2.96Å; V169-F173 WeakPolarHBondContact O-CD2 3.39Å; V169-F173 WeakPolarHBondContact O-CE2 3.49Å
170T39Very low49.5Very low16 Ų1660.5 Ų60.510%0.09832%0.317CS..Hα-helixtrans-69.1-40.7177.4-25.10000111.4A162 L163 P167 L172 F173 Q174A162-T170 HydrophobicContact CB-CG2 3.75Å; A162-T170 WeakPolarHBondContact O-CB 3.49Å; A162-T170 WeakPolarHBondContact O-CG2 3.49Å; A162-T170 PolarHBondContact O-OG1 3.21Å; L163-T170 HydrophobicContact CD2-CG2 4.48Å; P167-T170 PolarHBondContact O-N 2.94Å; T170-L172 PolarHBondContact O-N 3.32Å; T170-F173 PolarHBondContact O-N 2.94Å; T170-Q174 PolarHBondContact O-N 2.85Å
171F45.6Very low51.9Low63 Ų6357 Ų5728%0.27630%0.304SS..Hα-helixtrans-71.1-30.8-171.3-74.1-49.7000114.5F24 P167 F173 M177 F180F24-F171 HydrophobicContact CD1-CE2 4.46Å; F24-F171 HydrophobicContact CE1-CD2 4.23Å; F24-F171 HydrophobicContact CE1-CE2 4.21Å; P167-F171 VanDerWaalsContact C-CD2 3.43Å; P167-F171 HydrophobicContact CB-CD2 3.47Å; P167-F171 VanDerWaalsContact CB-CD2 3.47Å; P167-F171 HydrophobicContact CB-CE2 3.07Å; P167-F171 HydrophobicContact CB-CZ 3.91Å; P167-F171 HydrophobicContact CG-CE2 4.24Å; P167-F171 WeakPolarHBondContact O-CB 3.5Å; P167-F171 WeakPolarHBondContact O-CD2 3.38Å; P167-F171 VanDerWaalsContact O-CG 3.25Å; P167-F171 WeakPolarHBondContact O-CG 3.36Å; P167-F171 PolarHBondContact O-N 3.18Å; F171-F173 PolarHBondContact O-N 2.83Å; F171-M177 HydrophobicContact CD1-CG 4.31Å; F171-M177 HydrophobicContact CE1-CE 4.1Å; F171-M177 HydrophobicContact CE1-CG 4.43Å; F171-F180 VanDerWaalsContact C-CE1 3.44Å; F171-F180 HydrophobicContact CB-CD1 3.84Å; F171-F180 HydrophobicContact CB-CD2 3.89Å; F171-F180 HydrophobicContact CB-CE1 3.71Å; F171-F180 HydrophobicContact CB-CE2 3.76Å; F171-F180 HydrophobicContact CB-CG 3.93Å; F171-F180 HydrophobicContact CB-CZ 3.67Å; F171-F180 HydrophobicContact CG-CD2 4.41Å; F171-F180 WeakPolarHBondContact O-CD1 3.4Å
172L48.6Very low54.6Low10 Ų1054.6 Ų54.65%0.05229%0.286CS..THydrogen-bonded Turntrans-59.8-30.3175.6-73.6160000112.8L72 Y80 M81 T170 F180 V184L72-L172 WeakPolarHBondContact CD1-O 3.34Å; Y80-L172 HydrophobicContact CD1-CD1 3.34Å; Y80-L172 HydrophobicContact CD1-CD2 3.73Å; Y80-L172 HydrophobicContact CD1-CG 4.08Å; Y80-L172 HydrophobicContact CD2-CD2 4.23Å; Y80-L172 HydrophobicContact CE1-CD1 3.63Å; Y80-L172 HydrophobicContact CE1-CD2 3.97Å; Y80-L172 HydrophobicContact CE1-CG 4.15Å; Y80-L172 HydrophobicContact CE2-CD2 4.46Å; Y80-L172 HydrophobicContact CG-CD1 4.2Å; Y80-L172 HydrophobicContact CG-CD2 3.84Å; M81-L172 HydrophobicContact CE-CD1 4.04Å; T170-L172 PolarHBondContact O-N 3.32Å; L172-F180 HydrophobicContact CB-CE1 4.45Å; L172-F180 HydrophobicContact CD2-CE1 3.88Å; L172-F180 HydrophobicContact CD2-CZ 4.12Å; L172-F180 HydrophobicContact CG-CE1 3.97Å; L172-F180 HydrophobicContact CG-CZ 4.05Å; L172-V184 HydrophobicContact CD2-CG1 4.39Å; L172-V184 HydrophobicContact CD2-CG2 4.01Å
173F52.2Low57.1Low18 Ų1854 Ų548%0.07928%0.277CS..THydrogen-bonded Turntrans-109.4-11.2-166.2-56.3-53000114.2V77 M81 W141 L143 V169 T170 F171V77-F173 HydrophobicContact CG1-CE1 4.06Å; V77-F173 HydrophobicContact CG1-CZ 4.08Å; V77-F173 HydrophobicContact CG2-CE1 3.92Å; M81-F173 HydrophobicContact CE-CZ 4.12Å; W141-F173 HydrophobicContact CB-CB 3.93Å; W141-F173 HydrophobicContact CB-CD1 2.91Å; W141-F173 HydrophobicContact CB-CD2 4.42Å; W141-F173 HydrophobicContact CB-CE1 3.32Å; W141-F173 HydrophobicContact CB-CG 3.5Å; W141-F173 VanDerWaalsContact CB-CG 3.5Å; W141-F173 HydrophobicContact CB-CZ 4.27Å; W141-F173 HydrophobicContact CD2-CD1 4.4Å; W141-F173 HydrophobicContact CD2-CE1 4.05Å; W141-F173 HydrophobicContact CE3-CE1 4.3Å; W141-F173 AromaticContact CG-CD1 3.55Å; W141-F173 HydrophobicContact CG-CD1 3.55Å; W141-F173 AromaticContact CG-CE1 3.67Å; W141-F173 HydrophobicContact CG-CE1 3.67Å; W141-F173 WeakPolarHBondContact O-CB 3.4Å; L143-F173 HydrophobicContact CB-CE2 3.86Å; V169-F173 WeakPolarHBondContact O-CD2 3.39Å; V169-F173 WeakPolarHBondContact O-CE2 3.49Å; T170-F173 PolarHBondContact O-N 2.94Å; F171-F173 PolarHBondContact O-N 2.83Å
174Q46.9Very low60Low104 Ų10447.4 Ų47.449%0.48624%0.243SC..  trans-92125.6178.5-136.3160-2.400110.5T170 H176T170-Q174 PolarHBondContact O-N 2.85Å; Q174-H176 PolarHBondContact O-N 2.79Å
175K50.2Low62.8Low83 Ų8344.9 Ų44.936%0.36123%0.225SC..THydrogen-bonded Turntrans-57.77.4-177.8-76.5-172.6172.8-175.80116.2Y69 W71Y69-K175 WeakPolarHBondContact CD1-O 3.36Å; Y69-K175 WeakPolarHBondContact CE1-O 3.46Å; W71-K175 HydrophobicContact CH2-CD 4.44Å
176H54.9Low65.7Low150 Ų15044.7 Ų44.769%0.69422%0.223SC*.THydrogen-bonded Turntrans-121.720.4-153.4-8555.4000116.8Q174Q174-H176 PolarHBondContact O-N 2.79Å
177M70.7Confident68.2Low88 Ų8841.8 Ų41.843%0.43321%0.212SC..  trans-14189.9177.6-66.2-76.9-177.200112F171 S179 F180 R181F171-M177 HydrophobicContact CD1-CG 4.31Å; F171-M177 HydrophobicContact CE1-CE 4.1Å; F171-M177 HydrophobicContact CE1-CG 4.43Å; M177-S179 VanDerWaalsContact C-N 3.25Å; M177-S179 PolarHBondContact O-N 3.07Å; M177-F180 HydrophobicContact CB-CB 3.63Å; M177-F180 PolarHBondContact O-N 3.31Å; M177-F180 VanDerWaalsContact O-N 3.1Å; M177-R181 PolarHBondContact O-N 3.33Å; M177-R181 VanDerWaalsContact O-N 3.14Å
178P80.7Confident70.7Confident70 Ų7039.5 Ų39.546%0.45520%0.197SC..Hα-helixtrans-53.5-40.9174.3-2735.5000113.2F180 R181 I182P178-F180 VanDerWaalsContact C-N 3.32Å; P178-F180 PolarHBondContact O-N 3.32Å; P178-R181 PolarHBondContact O-N 3.4Å; P178-I182 PolarHBondContact O-N 2.84Å
179S82.4Confident73.3Confident86 Ų8640.2 Ų40.260%0.60120%0.202SC*.Hα-helixtrans-64.4-32.1177.117.50000113.2M177 I182 R183M177-S179 VanDerWaalsContact C-N 3.25Å; M177-S179 PolarHBondContact O-N 3.07Å; S179-I182 WeakPolarHBondContact O-CG2 3.4Å; S179-R183 WeakPolarHBondContact O-CB 2.91Å; S179-R183 PolarHBondContact O-N 2.87Å
180F83.3Confident75.9Confident26 Ų2643.6 Ų43.611%0.11422%0.217CC..Hα-helixtrans-72.4-41.3173.2-177.8-100.2000111.5F171 L172 M177 P178 I182 R183 V184F171-F180 VanDerWaalsContact C-CE1 3.44Å; F171-F180 HydrophobicContact CB-CD1 3.84Å; F171-F180 HydrophobicContact CB-CD2 3.89Å; F171-F180 HydrophobicContact CB-CE1 3.71Å; F171-F180 HydrophobicContact CB-CE2 3.76Å; F171-F180 HydrophobicContact CB-CG 3.93Å; F171-F180 HydrophobicContact CB-CZ 3.67Å; F171-F180 HydrophobicContact CG-CD2 4.41Å; F171-F180 WeakPolarHBondContact O-CD1 3.4Å; L172-F180 HydrophobicContact CB-CE1 4.45Å; L172-F180 HydrophobicContact CD2-CE1 3.88Å; L172-F180 HydrophobicContact CD2-CZ 4.12Å; L172-F180 HydrophobicContact CG-CE1 3.97Å; L172-F180 HydrophobicContact CG-CZ 4.05Å; M177-F180 HydrophobicContact CB-CB 3.63Å; M177-F180 PolarHBondContact O-N 3.31Å; M177-F180 VanDerWaalsContact O-N 3.1Å; P178-F180 VanDerWaalsContact C-N 3.32Å; P178-F180 PolarHBondContact O-N 3.32Å; F180-I182 PolarHBondContact O-N 3.07Å; F180-R183 WeakPolarHBondContact O-CB 3.29Å; F180-R183 PolarHBondContact O-N 2.57Å; F180-V184 HydrophobicContact CD1-CG2 3.94Å; F180-V184 HydrophobicContact CE1-CG2 3.42Å; F180-V184 VanDerWaalsContact CE1-CG2 3.42Å; F180-V184 HydrophobicContact CE2-CG2 4.21Å; F180-V184 HydrophobicContact CZ-CG2 3.58Å; F180-V184 WeakPolarHBondContact O-CG2 3.03Å; F180-V184 PolarHBondContact O-N 3.3Å
181R89.1Confident78.6Confident19 Ų1946.8 Ų46.87%0.07223%0.231CC..Hα-helixtrans-63.9-40.6-179.7-74.4178.3161.1-133-9112.8L66 G68 N70 M177 P178 V184 A185L66-R181 HydrophobicContact CD2-CG 4.49Å; L66-R181 WeakPolarHBondContact O-CB 3.49Å; L66-R181 WeakPolarHBondContact O-CD 3.11Å; G68-R181 WeakPolarHBondContact O-CD 3.42Å; G68-R181 PolarHBondContact O-NH1 2.68Å; N70-R181 VanDerWaalsContact N-NH1 3.18Å; N70-R181 VanDerWaalsContact O-CZ 3.28Å; N70-R181 PolarHBondContact O-NH1 3.35Å; N70-R181 PolarHBondContact O-NH2 3.5Å; M177-R181 PolarHBondContact O-N 3.33Å; M177-R181 VanDerWaalsContact O-N 3.14Å; P178-R181 PolarHBondContact O-N 3.4Å; R181-V184 PolarHBondContact O-N 3.11Å; R181-A185 PolarHBondContact O-N 2.83Å
182I92Very high80.8Confident21 Ų2151.1 Ų51.111%0.10825%0.25CC..Hα-helixtrans-66.6-39.1175.2-163.3169.8000111.5L28 I33 V36 I37 W40 P178 S179 F180 V184 A185 Y186L28-I182 HydrophobicContact CD1-CG1 4.46Å; L28-I182 HydrophobicContact CD1-CG2 4.41Å; I33-I182 HydrophobicContact CB-CD1 4.08Å; I33-I182 HydrophobicContact CG1-CD1 4.12Å; I33-I182 HydrophobicContact CG2-CD1 3.66Å; V36-I182 HydrophobicContact CB-CD1 4.29Å; V36-I182 HydrophobicContact CB-CG1 3.74Å; V36-I182 HydrophobicContact CG1-CD1 4.46Å; V36-I182 HydrophobicContact CG1-CG1 3.65Å; V36-I182 HydrophobicContact CG2-CG1 4.15Å; I37-I182 HydrophobicContact CD1-CD1 4.35Å; I37-I182 HydrophobicContact CG1-CD1 4.08Å; W40-I182 HydrophobicContact CH2-CB 3.95Å; W40-I182 HydrophobicContact CH2-CG1 4.1Å; W40-I182 HydrophobicContact CZ3-CB 4.23Å; W40-I182 HydrophobicContact CZ3-CD1 4.31Å; W40-I182 HydrophobicContact CZ3-CG1 4.05Å; P178-I182 PolarHBondContact O-N 2.84Å; S179-I182 WeakPolarHBondContact O-CG2 3.4Å; F180-I182 PolarHBondContact O-N 3.07Å; I182-V184 PolarHBondContact O-N 3.13Å; I182-A185 PolarHBondContact O-N 3.41Å; I182-Y186 PolarHBondContact O-N 3.32Å
183R91.2Very high82.7Confident18 Ų1851.3 Ų51.37%0.06825%0.251CS..Hα-helixtrans-59.8-46.3172.1-175.4-179.4175.2-69.7-6.5112L28 S179 F180 A185 Y186 E187 L194L28-R183 HydrophobicContact CD2-CG 4.49Å; L28-R183 HydrophobicContact CG-CB 4.41Å; S179-R183 WeakPolarHBondContact O-CB 2.91Å; S179-R183 PolarHBondContact O-N 2.87Å; F180-R183 WeakPolarHBondContact O-CB 3.29Å; F180-R183 PolarHBondContact O-N 2.57Å; R183-A185 VanDerWaalsContact C-N 3.33Å; R183-A185 PolarHBondContact O-N 3.37Å; R183-Y186 WeakPolarHBondContact O-CB 3.25Å; R183-Y186 PolarHBondContact O-N 3.42Å; R183-E187 IonicContact CZ-OE1 2.83Å; R183-E187 IonicContact CZ-OE2 2.77Å; R183-E187 IonicContact NH1-OE1 3.11Å; R183-E187 PolarHBondContact NH1-OE1 3.22Å; R183-E187 IonicContact NH1-OE2 3.77Å; R183-E187 PolarHBondContact NH1-OE2 2.85Å; R183-E187 IonicContact NH2-OE1 3.38Å; R183-E187 PolarHBondContact NH2-OE1 3.14Å; R183-E187 WeakPolarHBondContact O-CG 3.38Å; R183-E187 PolarHBondContact O-N 3Å; R183-L194 HydrophobicContact CG-CD1 4.33Å
184V91.6Very high84.2Confident1 Ų153.4 Ų53.41%0.00626%0.262CS..Hα-helixtrans-61.4-42.5176.81710000111.2L66 Y80 L172 F180 R181 I182 Y186 E187 I188L66-V184 HydrophobicContact CD1-CG1 3.9Å; L66-V184 HydrophobicContact CD2-CB 4.06Å; L66-V184 HydrophobicContact CD2-CG1 3.71Å; L66-V184 HydrophobicContact CG-CG1 4.49Å; Y80-V184 HydrophobicContact CD2-CG1 3.78Å; Y80-V184 HydrophobicContact CD2-CG2 4.39Å; Y80-V184 HydrophobicContact CE2-CB 4.36Å; Y80-V184 HydrophobicContact CE2-CG1 4.01Å; Y80-V184 HydrophobicContact CE2-CG2 3.87Å; L172-V184 HydrophobicContact CD2-CG1 4.39Å; L172-V184 HydrophobicContact CD2-CG2 4.01Å; F180-V184 HydrophobicContact CD1-CG2 3.94Å; F180-V184 HydrophobicContact CE1-CG2 3.42Å; F180-V184 VanDerWaalsContact CE1-CG2 3.42Å; F180-V184 HydrophobicContact CE2-CG2 4.21Å; F180-V184 HydrophobicContact CZ-CG2 3.58Å; F180-V184 WeakPolarHBondContact O-CG2 3.03Å; F180-V184 PolarHBondContact O-N 3.3Å; R181-V184 PolarHBondContact O-N 3.11Å; I182-V184 PolarHBondContact O-N 3.13Å; V184-Y186 VanDerWaalsContact C-N 3.33Å; V184-Y186 PolarHBondContact O-N 3.38Å; V184-E187 PolarHBondContact O-N 3.3Å; V184-I188 HydrophobicContact CG1-CD1 3.82Å; V184-I188 HydrophobicContact CG1-CG1 4.41Å; V184-I188 WeakPolarHBondContact O-CB 3.34Å; V184-I188 VanDerWaalsContact O-CG1 3.25Å; V184-I188 WeakPolarHBondContact O-CG1 3.13Å; V184-I188 PolarHBondContact O-N 3.27Å
185A94.7Very high86.1Confident0 Ų050.9 Ų50.90%025%0.251CS..Hα-helixtrans-62-41.8176.700000111.8V36 W40 L63 L66 R181 I182 R183 I188 L189V36-A185 HydrophobicContact CG1-CB 3.56Å; V36-A185 HydrophobicContact CG2-CB 4.47Å; W40-A185 HydrophobicContact CH2-CB 4.43Å; W40-A185 HydrophobicContact CZ2-CB 3.66Å; L63-A185 HydrophobicContact CD1-CB 4.01Å; L63-A185 HydrophobicContact CG-CB 4.4Å; L66-A185 HydrophobicContact CB-CB 4.48Å; L66-A185 HydrophobicContact CD1-CB 3.9Å; R181-A185 PolarHBondContact O-N 2.83Å; I182-A185 PolarHBondContact O-N 3.41Å; R183-A185 VanDerWaalsContact C-N 3.33Å; R183-A185 PolarHBondContact O-N 3.37Å; A185-I188 PolarHBondContact O-N 2.79Å; A185-L189 WeakPolarHBondContact O-CG 3.25Å; A185-L189 PolarHBondContact O-N 3.4Å
186Y96Very high88Confident29 Ų2949.2 Ų49.211%0.11425%0.245CC..Hα-helixtrans-60.4-50.3173.3-174.8-93.5000112.1L28 Q32 E35 V36 I182 R183 V184 I188 L189 H190 L194L28-Y186 HydrophobicContact CD1-CD2 4.47Å; L28-Y186 HydrophobicContact CD1-CG 4.07Å; L28-Y186 HydrophobicContact CD2-CD1 3.7Å; L28-Y186 HydrophobicContact CD2-CD2 4.5Å; L28-Y186 HydrophobicContact CD2-CE1 4.26Å; L28-Y186 HydrophobicContact CD2-CG 3.84Å; Q32-Y186 HydrophobicContact CB-CD2 3.87Å; Q32-Y186 HydrophobicContact CB-CE2 3.6Å; Q32-Y186 HydrophobicContact CG-CD2 4.27Å; Q32-Y186 HydrophobicContact CG-CE1 4.38Å; Q32-Y186 HydrophobicContact CG-CE2 3.51Å; Q32-Y186 VanDerWaalsContact NE2-CZ 3.28Å; Q32-Y186 PolarHBondContact NE2-OH 3.43Å; E35-Y186 WeakPolarHBondContact OE2-CE2 3.25Å; V36-Y186 HydrophobicContact CG2-CD2 4.09Å; V36-Y186 HydrophobicContact CG2-CG 4.43Å; I182-Y186 PolarHBondContact O-N 3.32Å; R183-Y186 WeakPolarHBondContact O-CB 3.25Å; R183-Y186 PolarHBondContact O-N 3.42Å; V184-Y186 VanDerWaalsContact C-N 3.33Å; V184-Y186 PolarHBondContact O-N 3.38Å; Y186-I188 PolarHBondContact O-N 2.78Å; Y186-L189 PolarHBondContact O-N 2.95Å; Y186-H190 AromaticContact CD2-CD2 3.72Å; Y186-H190 AromaticContact CD2-NE2 3.95Å; Y186-H190 AromaticContact CE1-CD2 3.73Å; Y186-H190 AromaticContact CE2-CD2 3.37Å; Y186-H190 WeakPolarHBondContact CE2-CD2 3.38Å; Y186-H190 AromaticContact CE2-NE2 3.31Å; Y186-H190 VanDerWaalsContact CE2-NE2 3.31Å; Y186-H190 WeakPolarHBondContact CE2-NE2 3.25Å; Y186-H190 AromaticContact CZ-CD2 3.37Å; Y186-H190 AromaticContact CZ-NE2 3.56Å; Y186-H190 PolarHBondContact O-CD2 3.41Å; Y186-H190 VanDerWaalsContact O-CD2 3.31Å; Y186-H190 PolarHBondContact O-N 2.85Å; Y186-L194 HydrophobicContact CD1-CD1 4.29Å; Y186-L194 HydrophobicContact CE1-CD2 4.16Å
187E94.9Very high89.8Confident0 Ų043.6 Ų43.60%022%0.22CC..Hα-helixtrans-59-32.3178-70.9-178.5139.100112.6Y80 L83 R183 V184 E191 K192 L193 L194Y80-E187 VanDerWaalsContact CE2-OE2 3.25Å; Y80-E187 WeakPolarHBondContact CE2-OE2 3.49Å; Y80-E187 PolarHBondContact OH-OE2 3.24Å; L83-E187 HydrophobicContact CD1-CB 4.38Å; R183-E187 IonicContact CZ-OE1 2.83Å; R183-E187 IonicContact CZ-OE2 2.77Å; R183-E187 IonicContact NH1-OE1 3.11Å; R183-E187 PolarHBondContact NH1-OE1 3.22Å; R183-E187 IonicContact NH1-OE2 3.77Å; R183-E187 PolarHBondContact NH1-OE2 2.85Å; R183-E187 IonicContact NH2-OE1 3.38Å; R183-E187 PolarHBondContact NH2-OE1 3.14Å; R183-E187 WeakPolarHBondContact O-CG 3.38Å; R183-E187 PolarHBondContact O-N 3Å; V184-E187 PolarHBondContact O-N 3.3Å; E187-E191 WeakPolarHBondContact O-CA 3.03Å; E187-E191 PolarHBondContact O-N 3.12Å; E187-K192 WeakPolarHBondContact CA-O 3.14Å; E187-K192 WeakPolarHBondContact CB-O 3.31Å; E187-K192 WeakPolarHBondContact CG-O 3.44Å; E187-K192 PolarHBondContact O-N 3.39Å; E187-L193 HydrophobicContact CB-CD2 4.34Å; E187-L193 VanDerWaalsContact CD-CD2 3.45Å; E187-L193 HydrophobicContact CG-CD2 4.34Å; E187-L193 WeakPolarHBondContact OE1-CA 3.38Å; E187-L193 WeakPolarHBondContact OE1-CD2 3.47Å; E187-L193 WeakPolarHBondContact OE2-CD2 3.36Å; E187-L194 HydrophobicContact CG-CG 4.3Å; E187-L194 PolarHBondContact OE1-N 2.89Å
188I96.1Very high91Very high0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-73-47.8175.8-71.5172.9000111.2A51 V58 L63 L66 I76 F79 L83 V184 A185 Y186 H190 E191A51-I188 HydrophobicContact CB-CG2 4.15Å; A51-I188 WeakPolarHBondContact CB-O 3.46Å; V58-I188 HydrophobicContact CB-CG2 4.13Å; V58-I188 HydrophobicContact CG1-CG2 3.85Å; V58-I188 HydrophobicContact CG2-CG2 4.07Å; L63-I188 HydrophobicContact CD1-CB 4.22Å; L63-I188 HydrophobicContact CD1-CG2 3.91Å; L66-I188 HydrophobicContact CD1-CD1 3.91Å; I76-I188 HydrophobicContact CD1-CD1 3.77Å; I76-I188 HydrophobicContact CG2-CD1 4.1Å; F79-I188 HydrophobicContact CD1-CB 4.38Å; F79-I188 HydrophobicContact CD1-CG1 3.8Å; F79-I188 HydrophobicContact CD1-CG2 4.16Å; F79-I188 HydrophobicContact CE1-CB 4.22Å; F79-I188 HydrophobicContact CE1-CG1 4.08Å; F79-I188 HydrophobicContact CE1-CG2 3.97Å; F79-I188 HydrophobicContact CZ-CG2 4.27Å; L83-I188 HydrophobicContact CD1-CG1 4.22Å; V184-I188 HydrophobicContact CG1-CD1 3.82Å; V184-I188 HydrophobicContact CG1-CG1 4.41Å; V184-I188 WeakPolarHBondContact O-CB 3.34Å; V184-I188 VanDerWaalsContact O-CG1 3.25Å; V184-I188 WeakPolarHBondContact O-CG1 3.13Å; V184-I188 PolarHBondContact O-N 3.27Å; A185-I188 PolarHBondContact O-N 2.79Å; Y186-I188 PolarHBondContact O-N 2.78Å; I188-H190 PolarHBondContact O-N 3.03Å; I188-E191 PolarHBondContact O-N 3.29Å; I188-E191 VanDerWaalsContact O-N 3.08Å
189L97.2Very high91.6Very high31 Ų3139.1 Ų39.116%0.16219%0.192CC..Hα-helixtrans-58-33.5177.7-74173.2000112.3V36 E39 L50 L63 A185 Y186V36-L189 HydrophobicContact CG2-CD1 4.28Å; E39-L189 HydrophobicContact CB-CD1 4.3Å; E39-L189 HydrophobicContact CG-CD1 4.29Å; E39-L189 HydrophobicContact CG-CD2 4.15Å; L50-L189 HydrophobicContact CB-CD2 3.96Å; L50-L189 HydrophobicContact CD1-CD2 4.21Å; L63-L189 HydrophobicContact CD2-CD1 4.18Å; L63-L189 HydrophobicContact CD2-CD2 3.78Å; L63-L189 HydrophobicContact CD2-CG 4Å; A185-L189 WeakPolarHBondContact O-CG 3.25Å; A185-L189 PolarHBondContact O-N 3.4Å; Y186-L189 PolarHBondContact O-N 2.95Å
190H96.9Very high92.2Very high83 Ų8336 Ų3638%0.38417%0.165SC..THydrogen-bonded Turntrans-99.35.8179.7-69.7-79.1000114E35 Y186 I188 K192E35-H190 IonicContact OE1-CD2 2.79Å; E35-H190 IonicContact OE1-CE1 3.01Å; E35-H190 PolarHBondContact OE1-CE1 2.74Å; E35-H190 IonicContact OE1-NE2 2.86Å; E35-H190 PolarHBondContact OE1-NE2 2.93Å; E35-H190 IonicContact OE2-CE1 3.96Å; E35-H190 IonicContact OE2-NE2 2.75Å; E35-H190 PolarHBondContact OE2-NE2 3.04Å; E35-H190 VanDerWaalsContact OE2-NE2 3.13Å; Y186-H190 AromaticContact CD2-CD2 3.72Å; Y186-H190 AromaticContact CD2-NE2 3.95Å; Y186-H190 AromaticContact CE1-CD2 3.73Å; Y186-H190 AromaticContact CE2-CD2 3.37Å; Y186-H190 WeakPolarHBondContact CE2-CD2 3.38Å; Y186-H190 AromaticContact CE2-NE2 3.31Å; Y186-H190 VanDerWaalsContact CE2-NE2 3.31Å; Y186-H190 WeakPolarHBondContact CE2-NE2 3.25Å; Y186-H190 AromaticContact CZ-CD2 3.37Å; Y186-H190 AromaticContact CZ-NE2 3.56Å; Y186-H190 PolarHBondContact O-CD2 3.41Å; Y186-H190 VanDerWaalsContact O-CD2 3.31Å; Y186-H190 PolarHBondContact O-N 2.85Å; I188-H190 PolarHBondContact O-N 3.03Å; H190-K192 WeakPolarHBondContact O-CB 3.05Å; H190-K192 PolarHBondContact O-N 3.36Å
191E96.3Very high92.9Very high83 Ų8336.7 Ų36.739%0.38817%0.169SC..THydrogen-bonded Turntrans50.429.9177.9-50.9-173.3168.300114.3A51 K52 F79 L83 E187 I188A51-E191 HydrophobicContact CB-CG 4.07Å; K52-E191 PolarHBondContact N-OE1 2.68Å; F79-E191 HydrophobicContact CZ-CG 4.23Å; L83-E191 WeakPolarHBondContact CD2-O 3.32Å; E187-E191 WeakPolarHBondContact O-CA 3.03Å; E187-E191 PolarHBondContact O-N 3.12Å; I188-E191 PolarHBondContact O-N 3.29Å; I188-E191 VanDerWaalsContact O-N 3.08Å
192K91.6Very high93.2Very high154 Ų15438.1 Ų38.167%0.6718%0.176SC*.SBendtrans-153.4137.7-171-173.3179.7174.7-173.10111.7E187 H190E187-K192 WeakPolarHBondContact CA-O 3.14Å; E187-K192 WeakPolarHBondContact CB-O 3.31Å; E187-K192 WeakPolarHBondContact CG-O 3.44Å; E187-K192 PolarHBondContact O-N 3.39Å; H190-K192 WeakPolarHBondContact O-CB 3.05Å; H190-K192 PolarHBondContact O-N 3.36Å
193L88.7Confident93.3Very high13 Ų1339.5 Ų39.57%0.06818%0.182CC..  trans-77139169.1-60.8178.4000110.8Y80 L83 L84 R87 E187Y80-L193 HydrophobicContact CE1-CD2 4.46Å; Y80-L193 HydrophobicContact CE2-CD2 3.69Å; L83-L193 HydrophobicContact CB-CD1 4.27Å; L83-L193 HydrophobicContact CB-CD2 3.84Å; L83-L193 HydrophobicContact CB-CG 3.88Å; L83-L193 HydrophobicContact CD1-CD2 4.05Å; L84-L193 HydrophobicContact CD2-CD1 3.77Å; L84-L193 HydrophobicContact CG-CD1 4.38Å; R87-L193 HydrophobicContact CB-CD1 3.99Å; E187-L193 HydrophobicContact CB-CD2 4.34Å; E187-L193 VanDerWaalsContact CD-CD2 3.45Å; E187-L193 HydrophobicContact CG-CD2 4.34Å; E187-L193 WeakPolarHBondContact OE1-CA 3.38Å; E187-L193 WeakPolarHBondContact OE1-CD2 3.47Å; E187-L193 WeakPolarHBondContact OE2-CD2 3.36Å
194L84Confident93.4Very high62 Ų6241.5 Ų41.533%0.32519%0.192SC..  trans-69.40170.4-61.5169.1000111.3N23 I26 L28 R183 Y186 E187N23-L194 PolarHBondContact ND2-O 2.87Å; N23-L194 PolarHBondContact ND2-OXT 3.05Å; I26-L194 HydrophobicContact CD1-CB 4.27Å; I26-L194 HydrophobicContact CG2-CB 4.27Å; I26-L194 HydrophobicContact CG2-CD1 4.07Å; L28-L194 HydrophobicContact CD2-CD1 3.53Å; R183-L194 HydrophobicContact CG-CD1 4.33Å; Y186-L194 HydrophobicContact CD1-CD1 4.29Å; Y186-L194 HydrophobicContact CE1-CD2 4.16Å; E187-L194 HydrophobicContact CG-CG 4.3Å; E187-L194 PolarHBondContact OE1-N 2.89Å

Retrieved 194 of 194 residues in 513.9 ms (Link to these results)

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