A0A096NBS1_PAPAN Loading...

E3 ubiquitin-protein ligase RNF138

AlphaFold DB (A0A2K5NPR7), UniProt , Accession A0A096NBS1, Species PAPAN (Papio anubis, Olive baboon), Gene RNF138, Length 245 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
1M46.2Very low48.5Very low245 Ų245121 Ų121100%1.20772%0.723SS**  0148.50-76.6-167.7166.800108.2
2A37.1Very low51.2Low91 Ų91117.1 Ų117.175%0.75270%0.7SS**  trans86.587.5-15800000111.8
3E40.8Very low53.3Low190 Ų190115.7 Ų115.789%0.88868%0.682SS**  52.2133.956.9-62-170.9124.200111.7
4D41.9Very low55.4Low121 Ų121116.1 Ų116.165%0.64768%0.68SS**  cis-169.5165.7-1.7-174-86.5000105.4
5L40.4Very low57.6Low159 Ų159113.5 Ų113.583%0.83266%0.662SS**  trans151.444.6150.6-80.4146.8000111.2A7L5-A7 PolarHBondContact O-N 3.44Å
6S43.7Very low59.7Low99 Ų99106.4 Ų106.469%0.69262%0.621SS**  trans-75.590147.155.40000106.9A8S6-A8 PolarHBondContact O-N 2.82Å
7A39.8Very low61.6Low84 Ų84101.9 Ų101.969%0.69459%0.591SS**  trans-62.184.5162.800000107.6L5 T9L5-A7 PolarHBondContact O-N 3.44Å; A7-T9 PolarHBondContact O-N 3.02Å
8A46.1Very low63.3Low88 Ų8896.3 Ų96.373%0.72756%0.558SS**  trans-7281.6170.400000106.6S6 S10S6-A8 PolarHBondContact O-N 2.82Å; A8-S10 VanDerWaalsContact C-N 3.34Å; A8-S10 PolarHBondContact O-N 3.2Å
9T56.4Low64.8Low83 Ų8394.5 Ų94.551%0.50955%0.55SS.*  trans-56.5107.5153.133.60000106A7 Y11A7-T9 PolarHBondContact O-N 3.02Å; T9-Y11 WeakPolarHBondContact O-CD2 3.38Å; T9-Y11 PolarHBondContact O-N 3.21Å; T9-Y11 WeakPolarHBondContact OG1-CE2 3.14Å; T9-Y11 PolarHBondContact OG1-OH 3.47Å; T9-Y11 VanDerWaalsContact OG1-OH 3.09Å
10S68.3Low66.1Low108 Ų10893 Ų9376%0.75554%0.542SS*.  trans-69.383.6176.354.10000108.3A8 T12A8-S10 VanDerWaalsContact C-N 3.34Å; A8-S10 PolarHBondContact O-N 3.2Å; S10-T12 PolarHBondContact O-N 3.42Å
11Y73Confident67.2Low63 Ų6390.7 Ų90.725%0.24753%0.531CS..  trans-67.6130.3172.5-63.5-77.8000109.3T9 D15 F16 L75 I78T9-Y11 WeakPolarHBondContact O-CD2 3.38Å; T9-Y11 PolarHBondContact O-N 3.21Å; T9-Y11 WeakPolarHBondContact OG1-CE2 3.14Å; T9-Y11 PolarHBondContact OG1-OH 3.47Å; T9-Y11 VanDerWaalsContact OG1-OH 3.09Å; Y11-D15 WeakPolarHBondContact CA-OD2 3.33Å; Y11-D15 HydrophobicContact CD1-CB 4.38Å; Y11-F16 HydrophobicContact CG-CZ 4.39Å; Y11-L75 HydrophobicContact CD1-CD1 4.43Å; Y11-L75 HydrophobicContact CE1-CD1 4.2Å; Y11-I78 HydrophobicContact CD2-CD1 4.09Å; Y11-I78 HydrophobicContact CD2-CG2 3.85Å; Y11-I78 HydrophobicContact CE1-CD1 4.07Å; Y11-I78 HydrophobicContact CE2-CD1 3.27Å; Y11-I78 HydrophobicContact CE2-CG1 4.08Å; Y11-I78 HydrophobicContact CE2-CG2 4.17Å; Y11-I78 HydrophobicContact CG-CG2 4.2Å; Y11-I78 VanDerWaalsContact OH-CD1 3.32Å; Y11-I78 WeakPolarHBondContact OH-CD1 3.42Å
12T80.2Confident69.3Low74 Ų7485.9 Ų85.945%0.45451%0.505SS..  trans-94.3163.4172.562.90000109.9S10 D14 D15 F16S10-T12 PolarHBondContact O-N 3.42Å; T12-D14 PolarHBondContact O-N 2.99Å; T12-D15 PolarHBondContact N-OD2 3.34Å; T12-D15 PolarHBondContact O-N 2.79Å; T12-D15 PolarHBondContact OG1-OD2 3.3Å; T12-F16 WeakPolarHBondContact O-CE2 3.15Å
13E78.7Confident71.8Confident99 Ų9984.2 Ų84.246%0.46348%0.482SS..G310 helixtrans-59.5-31.2178-68.5-175.299.700111.9D15 F16 Y17 G84 F95E13-D15 VanDerWaalsContact C-N 3.32Å; E13-D15 PolarHBondContact O-N 3.03Å; E13-F16 PolarHBondContact O-N 3.12Å; E13-Y17 WeakPolarHBondContact O-CD2 3.39Å; E13-Y17 WeakPolarHBondContact O-CE2 3.27Å; E13-G84 WeakPolarHBondContact OE1-CA 3.45Å; E13-F95 HydrophobicContact CB-CZ 4.1Å; E13-F95 HydrophobicContact CG-CZ 4.12Å
14D83.1Confident74.2Confident121 Ų12175.2 Ų75.265%0.64744%0.44SS*.G310 helixtrans-66.6-28.2-179.8-67.4-66.4000113.8T12 F16 Y17T12-D14 PolarHBondContact O-N 2.99Å; D14-F16 PolarHBondContact O-N 3.38Å; D14-F16 VanDerWaalsContact O-N 3.08Å; D14-Y17 PolarHBondContact O-N 3.17Å; D14-Y17 VanDerWaalsContact O-N 3.08Å
15D88Confident76.6Confident77 Ų7769.8 Ų69.841%0.41241%0.411SS..G310 helixtrans-65.1-16.2179.7-65.2-47.9000113.2Y11 T12 E13Y11-D15 WeakPolarHBondContact CA-OD2 3.33Å; Y11-D15 HydrophobicContact CD1-CB 4.38Å; T12-D15 PolarHBondContact N-OD2 3.34Å; T12-D15 PolarHBondContact O-N 2.79Å; T12-D15 PolarHBondContact OG1-OD2 3.3Å; E13-D15 VanDerWaalsContact C-N 3.32Å; E13-D15 PolarHBondContact O-N 3.03Å
16F91.8Very high79.1Confident1 Ų167.4 Ų67.40%0.00439%0.394CS..G310 helixtrans-933.9179.2-56.7-63.5000113.5Y11 T12 E13 D14 V24 L25 L75 I78 M79 F82 F95Y11-F16 HydrophobicContact CG-CZ 4.39Å; T12-F16 WeakPolarHBondContact O-CE2 3.15Å; E13-F16 PolarHBondContact O-N 3.12Å; D14-F16 PolarHBondContact O-N 3.38Å; D14-F16 VanDerWaalsContact O-N 3.08Å; F16-V24 CarbonylContact O-C 3.49Å; F16-V24 VanDerWaalsContact O-CA 3.31Å; F16-V24 WeakPolarHBondContact O-CA 3.12Å; F16-L25 WeakPolarHBondContact O-CG 3.33Å; F16-L25 PolarHBondContact O-N 3.19Å; F16-L75 HydrophobicContact CD1-CD1 4.22Å; F16-L75 HydrophobicContact CE1-CD1 3.93Å; F16-I78 HydrophobicContact CE1-CB 4.38Å; F16-I78 HydrophobicContact CE1-CG2 3.66Å; F16-I78 HydrophobicContact CZ-CG2 3.58Å; F16-M79 HydrophobicContact CD1-CG 3.33Å; F16-M79 HydrophobicContact CD1-SD 4.34Å; F16-M79 HydrophobicContact CE1-CG 3.74Å; F16-M79 HydrophobicContact CG-CG 4.27Å; F16-F82 HydrophobicContact CE2-CB 4.17Å; F16-F82 HydrophobicContact CE2-CG 4.36Å; F16-F82 HydrophobicContact CZ-CB 4.15Å; F16-F82 HydrophobicContact CZ-CD2 4.42Å; F16-F82 HydrophobicContact CZ-CG 4.17Å; F16-F95 HydrophobicContact CB-CD1 3.64Å; F16-F95 HydrophobicContact CB-CD2 4.44Å; F16-F95 HydrophobicContact CB-CE1 3.84Å; F16-F95 HydrophobicContact CB-CG 3.97Å; F16-F95 HydrophobicContact CB-CZ 4.32Å; F16-F95 HydrophobicContact CD2-CD1 4.21Å; F16-F95 AromaticContact CD2-CD2 3.62Å; F16-F95 HydrophobicContact CD2-CD2 3.62Å; F16-F95 HydrophobicContact CD2-CE1 4.03Å; F16-F95 AromaticContact CD2-CE2 3.41Å; F16-F95 HydrophobicContact CD2-CE2 3.41Å; F16-F95 VanDerWaalsContact CD2-CE2 3.41Å; F16-F95 HydrophobicContact CD2-CG 4.02Å; F16-F95 AromaticContact CD2-CZ 3.64Å; F16-F95 HydrophobicContact CD2-CZ 3.64Å; F16-F95 HydrophobicContact CE2-CD2 4.02Å; F16-F95 AromaticContact CE2-CE2 3.82Å; F16-F95 HydrophobicContact CE2-CE2 3.82Å; F16-F95 HydrophobicContact CE2-CZ 4.42Å; F16-F95 HydrophobicContact CG-CD1 4.1Å; F16-F95 AromaticContact CG-CD2 3.99Å; F16-F95 HydrophobicContact CG-CD2 3.99Å; F16-F95 HydrophobicContact CG-CE1 4.28Å; F16-F95 HydrophobicContact CG-CE2 4.18Å; F16-F95 AromaticContact CG-CG 3.95Å; F16-F95 HydrophobicContact CG-CG 3.95Å; F16-F95 HydrophobicContact CG-CZ 4.32Å
17Y91.8Very high81.4Confident29 Ų2965.4 Ų65.411%0.11438%0.378CS..BIsolated β-bridgetrans-103.4141-180-68.7-90.9000112E13 D14 P19 V24 R87 F95E13-Y17 WeakPolarHBondContact O-CD2 3.39Å; E13-Y17 WeakPolarHBondContact O-CE2 3.27Å; D14-Y17 PolarHBondContact O-N 3.17Å; D14-Y17 VanDerWaalsContact O-N 3.08Å; Y17-P19 WeakPolarHBondContact O-CD 3.44Å; Y17-V24 HydrophobicContact CD1-CG2 4.03Å; Y17-V24 HydrophobicContact CE1-CG2 3.47Å; Y17-V24 VanDerWaalsContact CE1-CG2 3.47Å; Y17-R87 VanDerWaalsContact CD1-NH2 3.25Å; Y17-F95 HydrophobicContact CE2-CE1 4.06Å
18C92.8Very high83.9Confident1 Ų161.6 Ų61.61%0.00735%0.346CS..  trans-81121.3179.4-176.60000110V20 C21 Q22 E23 L25 C39C18-V20 PolarHBondContact O-N 3.26Å; C18-V20 VanDerWaalsContact O-N 3.09Å; C18-C21 WeakPolarHBondContact CB-SG 3.36Å; C18-C21 PolarHBondContact O-N 2.94Å; C18-C21 VanDerWaalsContact SG-SG 3.64Å; C18-Q22 WeakPolarHBondContact O-CA 3.24Å; C18-Q22 PolarHBondContact O-N 3.18Å; C18-E23 WeakPolarHBondContact CB-O 3.45Å; C18-E23 PolarHBondContact N-O 2.98Å; C18-L25 HydrophobicContact CB-CD2 3.73Å; C18-L25 HydrophobicContact CB-CG 4.42Å; C18-C39 VanDerWaalsContact CB-SG 3.57Å; C18-C39 PolarHBondContact SG-N 3.48Å; C18-C39 VanDerWaalsContact SG-SG 3.62Å
19P91.3Very high86.2Confident62 Ų6257.4 Ų57.440%0.40331%0.311SS..THydrogen-bonded Turntrans-66-18.7-177.3-30.143.1000114.5Y17 V37 F38 L56Y17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-V37 WeakPolarHBondContact CD-O 3.12Å; P19-F38 HydrophobicContact CB-CE1 4.48Å; P19-L56 HydrophobicContact CB-CD1 3.78Å; P19-L56 HydrophobicContact CB-CD2 3.33Å; P19-L56 HydrophobicContact CB-CG 3.96Å; P19-L56 HydrophobicContact CG-CD1 3.66Å; P19-L56 HydrophobicContact CG-CD2 4.1Å; P19-L56 HydrophobicContact CG-CG 4.4Å
20V90Very high88Confident65 Ų6557 Ų5739%0.39430%0.3SS..THydrogen-bonded Turntrans-83.7-43.4178.9176.90000112.7C18 F38 C42 P55C18-V20 PolarHBondContact O-N 3.26Å; C18-V20 VanDerWaalsContact O-N 3.09Å; V20-F38 HydrophobicContact CG2-CD1 3.64Å; V20-F38 HydrophobicContact CG2-CE1 3.84Å; V20-C42 HydrophobicContact CB-CB 3.79Å; V20-C42 HydrophobicContact CG1-CB 3.75Å; V20-C42 HydrophobicContact CG2-CB 4.32Å; V20-P55 HydrophobicContact CG2-CB 3.79Å; V20-P55 HydrophobicContact CG2-CG 4.34Å
21C90.3Very high89Confident44 Ų4452 Ų5230%0.29727%0.265SS..THydrogen-bonded Turntrans-108.7-4.2-177.662.10000113.9C18 E23 R99C18-C21 WeakPolarHBondContact CB-SG 3.36Å; C18-C21 PolarHBondContact O-N 2.94Å; C18-C21 VanDerWaalsContact SG-SG 3.64Å; C21-E23 PolarHBondContact O-N 2.98Å; C21-R99 PolarHBondContact SG-NH2 2.96Å; C21-R99 VanDerWaalsContact SG-NH2 3.41Å
22Q89.9Confident89.7Confident144 Ų14452.2 Ų52.267%0.67328%0.28SS*.  trans589.9179.5-55177.28.200115.2C18 R87C18-Q22 WeakPolarHBondContact O-CA 3.24Å; C18-Q22 PolarHBondContact O-N 3.18Å; Q22-R87 PolarHBondContact O-NH1 3.37Å
23E89.6Confident90Very high57 Ų5752.3 Ų52.327%0.26629%0.288SS..SBendtrans-97.2160.9172.6-66.6-170.4121.400111.1C18 C21 L25 R99 Y108C18-E23 WeakPolarHBondContact CB-O 3.45Å; C18-E23 PolarHBondContact N-O 2.98Å; C21-E23 PolarHBondContact O-N 2.98Å; E23-L25 PolarHBondContact O-N 3.48Å; E23-R99 IonicContact OE2-CZ 2.76Å; E23-R99 IonicContact OE2-NH1 3.29Å; E23-R99 PolarHBondContact OE2-NH1 3.22Å; E23-R99 IonicContact OE2-NH2 2.88Å; E23-R99 PolarHBondContact OE2-NH2 2.83Å; E23-Y108 PolarHBondContact OE1-OH 3.01Å; E23-Y108 VanDerWaalsContact OE1-OH 3.08Å
24V91.8Very high90.5Very high0 Ų049.3 Ų49.30%028%0.278CS..BIsolated β-bridgetrans-50.9137.5173177.90000110.8F16 Y17 K26 M79 F95 M98 R99F16-V24 CarbonylContact O-C 3.49Å; F16-V24 VanDerWaalsContact O-CA 3.31Å; F16-V24 WeakPolarHBondContact O-CA 3.12Å; Y17-V24 HydrophobicContact CD1-CG2 4.03Å; Y17-V24 HydrophobicContact CE1-CG2 3.47Å; Y17-V24 VanDerWaalsContact CE1-CG2 3.47Å; V24-K26 PolarHBondContact O-N 2.96Å; V24-M79 HydrophobicContact CG1-CE 3.49Å; V24-M79 VanDerWaalsContact CG1-CE 3.49Å; V24-F95 HydrophobicContact CG1-CB 4.3Å; V24-F95 HydrophobicContact CG1-CD1 3.97Å; V24-F95 HydrophobicContact CG2-CD1 4.09Å; V24-F95 HydrophobicContact CG2-CE1 4.47Å; V24-M98 HydrophobicContact CB-CB 4.37Å; V24-M98 HydrophobicContact CG1-CB 4.33Å; V24-M98 HydrophobicContact CG2-CB 3.98Å; V24-M98 HydrophobicContact CG2-CG 3.76Å; V24-R99 PolarHBondContact O-NE 3.22Å; V24-R99 PolarHBondContact O-NH2 2.93Å
25L92.4Very high90.8Very high8 Ų850.2 Ų50.24%0.04228%0.278CS..PPolyproline II helixtrans-55.7137.4-176.2-72.5162.7000112.1F16 C18 E23 P28 V37 F38 L75 M79F16-L25 WeakPolarHBondContact O-CG 3.33Å; F16-L25 PolarHBondContact O-N 3.19Å; C18-L25 HydrophobicContact CB-CD2 3.73Å; C18-L25 HydrophobicContact CB-CG 4.42Å; E23-L25 PolarHBondContact O-N 3.48Å; L25-P28 HydrophobicContact CB-CB 4.18Å; L25-P28 HydrophobicContact CD1-CB 4.26Å; L25-P28 HydrophobicContact CD2-CB 4.43Å; L25-V37 HydrophobicContact CD1-CG1 3.83Å; L25-V37 HydrophobicContact CD2-CG1 4.11Å; L25-F38 VanDerWaalsContact CD2-C 3.46Å; L25-L75 HydrophobicContact CD1-CD2 3.54Å; L25-M79 HydrophobicContact CB-CE 4.03Å; L25-M79 HydrophobicContact CB-SD 4.17Å; L25-M79 WeakPolarHBondContact O-CE 3.2Å
26K91.3Very high91Very high109 Ų10949.6 Ų49.647%0.47427%0.273SS..SBendtrans-124.3121.6171.6178.4172.5-175.8175.60109.2V24 C39V24-K26 PolarHBondContact O-N 2.96Å; K26-C39 PolarHBondContact N-SG 3.43Å; K26-C39 WeakPolarHBondContact O-CA 3Å
27T92.4Very high91.1Very high57 Ų5750.9 Ų50.935%0.3528%0.281SS..SBendtrans47.165.6-172.343.20000109.5V29 R40T27-V29 PolarHBondContact O-N 3.33Å; T27-R40 WeakPolarHBondContact O-CB 3.44Å; T27-R40 PolarHBondContact O-N 3.25Å
28P93.4Very high91.2Very high3 Ų349.5 Ų49.52%0.01928%0.275CS..EExtended strand (participates in β ladder)trans-58.4133.4-176.226.1-35.3000110.6L25 V37 F38 R71 A72 L75 E76L25-P28 HydrophobicContact CB-CB 4.18Å; L25-P28 HydrophobicContact CD1-CB 4.26Å; L25-P28 HydrophobicContact CD2-CB 4.43Å; P28-V37 HydrophobicContact CB-CG1 3.65Å; P28-F38 CarbonylContact C-O 3.29Å; P28-F38 VanDerWaalsContact CA-O 3.24Å; P28-F38 WeakPolarHBondContact CA-O 3.38Å; P28-R71 WeakPolarHBondContact O-CA 3.48Å; P28-A72 HydrophobicContact CB-CB 4.24Å; P28-A72 HydrophobicContact CG-CB 4.4Å; P28-A72 PolarHBondContact O-N 3.44Å; P28-L75 HydrophobicContact CB-CD2 4.13Å; P28-L75 HydrophobicContact CG-CD2 4.49Å; P28-E76 HydrophobicContact CG-CG 3.44Å; P28-E76 VanDerWaalsContact CG-CG 3.44Å
29V94.4Very high91.3Very high1 Ų149.7 Ų49.71%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-117140.9173.2-63.80000108.7T27 V37 F38 R40 F43 P69 E70T27-V29 PolarHBondContact O-N 3.33Å; V29-V37 VanDerWaalsContact O-CA 3.29Å; V29-V37 WeakPolarHBondContact O-CA 3.24Å; V29-F38 HydrophobicContact CG2-CB 4.3Å; V29-F38 PolarHBondContact N-O 3.22Å; V29-F38 PolarHBondContact O-N 3.36Å; V29-R40 HydrophobicContact CG1-CB 3.81Å; V29-R40 HydrophobicContact CG1-CG 4.08Å; V29-F43 HydrophobicContact CG2-CB 3.66Å; V29-F43 HydrophobicContact CG2-CD1 4.26Å; V29-F43 HydrophobicContact CG2-CG 3.9Å; V29-P69 HydrophobicContact CB-CB 4.02Å; V29-P69 HydrophobicContact CG1-CB 3.91Å; V29-P69 HydrophobicContact CG1-CG 4.05Å; V29-P69 HydrophobicContact CG2-CB 4.37Å; V29-E70 WeakPolarHBondContact CA-O 3.22Å; V29-E70 WeakPolarHBondContact CB-O 3.36Å
30R92.9Very high91.3Very high74 Ų7452 Ų5228%0.27928%0.277SS..EExtended strand (participates in β ladder)trans-111.9132.5179.6-173.9176.2-69.6146.23.1109.1Q35 H36 V37 E70 A72 D74R30-Q35 HydrophobicContact CG-CB 4.38Å; R30-Q35 WeakPolarHBondContact CG-O 3.49Å; R30-H36 WeakPolarHBondContact CA-O 3.4Å; R30-V37 HydrophobicContact CB-CG2 4.25Å; R30-V37 HydrophobicContact CG-CG2 4.16Å; R30-E70 PolarHBondContact N-O 3.09Å; R30-E70 VanDerWaalsContact N-O 3.15Å; R30-A72 HydrophobicContact CB-CB 4.15Å; R30-D74 IonicContact CZ-OD1 3.31Å; R30-D74 IonicContact CZ-OD2 3.92Å; R30-D74 VanDerWaalsContact CZ-OD2 3.29Å; R30-D74 IonicContact NH1-OD1 2.67Å; R30-D74 IonicContact NH1-OD2 3.53Å; R30-D74 PolarHBondContact NH1-OD2 3.08Å; R30-D74 IonicContact NH2-OD1 3.78Å; R30-D74 IonicContact NH2-OD2 3.67Å; R30-D74 PolarHBondContact NH2-OD2 2.85Å
31T90.7Very high91.4Very high2 Ų256.1 Ų56.11%0.01229%0.29CS..  trans-73.6132.6171.749.60000109.9C34 Q35 H36 F38 F43 V61T31-C34 PolarHBondContact OG1-SG 3.09Å; T31-Q35 WeakPolarHBondContact O-CA 3.43Å; T31-Q35 PolarHBondContact O-N 3.2Å; T31-Q35 PolarHBondContact OG1-N 2.86Å; T31-H36 PolarHBondContact N-O 3.5Å; T31-H36 PolarHBondContact OG1-N 2.96Å; T31-H36 PolarHBondContact OG1-O 3.34Å; T31-H36 VanDerWaalsContact OG1-O 3.11Å; T31-F38 HydrophobicContact CG2-CD2 4.48Å; T31-F38 HydrophobicContact CG2-CE2 4.15Å; T31-F43 HydrophobicContact CG2-CD2 4.31Å; T31-F43 HydrophobicContact CG2-CE2 3.6Å; T31-F43 HydrophobicContact CG2-CZ 4.36Å; T31-V61 HydrophobicContact CG2-CG2 4.46Å
32A86.8Confident91.5Very high68 Ų6855 Ų5556%0.56228%0.282SS*.THydrogen-bonded Turntrans-69.5-39.7-176.600000111.9E65A32-E65 WeakPolarHBondContact CB-OE1 3.46Å; A32-E65 PolarHBondContact N-OE1 2.79Å
33A86.3Confident91.6Very high76 Ų7648.3 Ų48.363%0.62825%0.251SS*.THydrogen-bonded Turntrans-74.7-37.9-175.400000113.8
34C89.4Confident91.6Very high37 Ų3747.8 Ų47.825%0.2525%0.25CC..THydrogen-bonded Turntrans-124.93.2-173.359.20000114.5T31 H36 C54 C57T31-C34 PolarHBondContact OG1-SG 3.09Å; C34-H36 PolarHBondContact O-N 3.25Å; C34-H36 PolarHBondContact SG-ND1 2.93Å; C34-C54 PolarHBondContact SG-SG 3.26Å; C34-C57 PolarHBondContact SG-SG 3.45Å
35Q90.4Very high91.5Very high139 Ų13951 Ų5165%0.6527%0.269SS*.  trans57.111.4175.2-58-169.644.800116.4R30 T31R30-Q35 HydrophobicContact CG-CB 4.38Å; R30-Q35 WeakPolarHBondContact CG-O 3.49Å; T31-Q35 WeakPolarHBondContact O-CA 3.43Å; T31-Q35 PolarHBondContact O-N 3.2Å; T31-Q35 PolarHBondContact OG1-N 2.86Å
36H91.9Very high91.4Very high64 Ų6451.1 Ų51.130%0.29627%0.272SS..  trans-67.3140.9173.3-73.1114.4000111.6R30 T31 C34 F38 L56 C57R30-H36 WeakPolarHBondContact CA-O 3.4Å; T31-H36 PolarHBondContact N-O 3.5Å; T31-H36 PolarHBondContact OG1-N 2.96Å; T31-H36 PolarHBondContact OG1-O 3.34Å; T31-H36 VanDerWaalsContact OG1-O 3.11Å; C34-H36 PolarHBondContact O-N 3.25Å; C34-H36 PolarHBondContact SG-ND1 2.93Å; H36-F38 HydrophobicContact CB-CE2 3.58Å; H36-F38 HydrophobicContact CB-CZ 3.79Å; H36-L56 HydrophobicContact CB-CD1 3.91Å; H36-L56 VanDerWaalsContact CD2-CD1 3.48Å; H36-L56 WeakPolarHBondContact CD2-CD1 3.35Å; H36-C57 VanDerWaalsContact CE1-SG 3.59Å; H36-C57 PolarHBondContact ND1-SG 2.93Å
37V92.9Very high91.2Very high28 Ų2846.1 Ų46.117%0.1725%0.25CS..EExtended strand (participates in β ladder)trans-112.5135.4-175-173.80000111.8P19 L25 P28 V29 R30 L75P19-V37 WeakPolarHBondContact CD-O 3.12Å; L25-V37 HydrophobicContact CD1-CG1 3.83Å; L25-V37 HydrophobicContact CD2-CG1 4.11Å; P28-V37 HydrophobicContact CB-CG1 3.65Å; V29-V37 VanDerWaalsContact O-CA 3.29Å; V29-V37 WeakPolarHBondContact O-CA 3.24Å; R30-V37 HydrophobicContact CB-CG2 4.25Å; R30-V37 HydrophobicContact CG-CG2 4.16Å; V37-L75 HydrophobicContact CB-CD2 4.4Å; V37-L75 HydrophobicContact CG1-CD2 3.67Å; V37-L75 HydrophobicContact CG2-CD2 4.4Å
38F94.4Very high90.9Very high0 Ų053.6 Ų53.60%027%0.272CS..EExtended strand (participates in β ladder)trans-140.5165.3-177.6-56.3-77.9000111.8P19 V20 L25 P28 V29 T31 H36 F43 P55 L56P19-F38 HydrophobicContact CB-CE1 4.48Å; V20-F38 HydrophobicContact CG2-CD1 3.64Å; V20-F38 HydrophobicContact CG2-CE1 3.84Å; L25-F38 VanDerWaalsContact CD2-C 3.46Å; P28-F38 CarbonylContact C-O 3.29Å; P28-F38 VanDerWaalsContact CA-O 3.24Å; P28-F38 WeakPolarHBondContact CA-O 3.38Å; V29-F38 HydrophobicContact CG2-CB 4.3Å; V29-F38 PolarHBondContact N-O 3.22Å; V29-F38 PolarHBondContact O-N 3.36Å; T31-F38 HydrophobicContact CG2-CD2 4.48Å; T31-F38 HydrophobicContact CG2-CE2 4.15Å; H36-F38 HydrophobicContact CB-CE2 3.58Å; H36-F38 HydrophobicContact CB-CZ 3.79Å; F38-F43 HydrophobicContact CB-CB 4.13Å; F38-F43 HydrophobicContact CD2-CD2 4.04Å; F38-P55 HydrophobicContact CE1-CB 3.94Å; F38-P55 HydrophobicContact CE1-CG 4.21Å; F38-P55 HydrophobicContact CE2-CG 4.43Å; F38-P55 HydrophobicContact CZ-CB 4.03Å; F38-P55 HydrophobicContact CZ-CG 4.09Å; F38-L56 HydrophobicContact CD1-CD1 4.43Å; F38-L56 HydrophobicContact CE1-CB 4.46Å; F38-L56 HydrophobicContact CE1-CD1 3.34Å; F38-L56 HydrophobicContact CE1-CG 3.51Å; F38-L56 HydrophobicContact CE2-CD1 4.38Å; F38-L56 HydrophobicContact CZ-CB 4.02Å; F38-L56 HydrophobicContact CZ-CD1 3.3Å; F38-L56 HydrophobicContact CZ-CG 3.51Å
39C94.2Very high90.5Very high5 Ų560.5 Ų60.53%0.03430%0.304CS..EExtended strand (participates in β ladder)trans-65.9139161.7-61.50000110C18 K26 K41 C42 F43 R99C18-C39 VanDerWaalsContact CB-SG 3.57Å; C18-C39 PolarHBondContact SG-N 3.48Å; C18-C39 VanDerWaalsContact SG-SG 3.62Å; K26-C39 PolarHBondContact N-SG 3.43Å; K26-C39 WeakPolarHBondContact O-CA 3Å; C39-K41 PolarHBondContact O-N 3.36Å; C39-K41 VanDerWaalsContact O-N 3.13Å; C39-C42 HydrophobicContact CB-CB 4.06Å; C39-C42 PolarHBondContact O-N 2.7Å; C39-F43 PolarHBondContact O-N 3.09Å; C39-R99 PolarHBondContact SG-NH2 3.5Å
40R92.7Very high89.7Confident110 Ų11064.7 Ų64.742%0.41533%0.333SS..Hα-helixtrans-48.7-43.3175.3-174.3177.2-179.3-81.5-0.3113.3T27 V29 L44 P69T27-R40 WeakPolarHBondContact O-CB 3.44Å; T27-R40 PolarHBondContact O-N 3.25Å; V29-R40 HydrophobicContact CG1-CB 3.81Å; V29-R40 HydrophobicContact CG1-CG 4.08Å; R40-L44 HydrophobicContact CG-CD1 3.99Å; R40-L44 WeakPolarHBondContact O-CB 3.37Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.44Å; R40-L44 PolarHBondContact O-N 3.48Å; R40-P69 HydrophobicContact CG-CG 4.23Å
41K92.1Very high89.1Confident152 Ų15262.5 Ų62.566%0.66133%0.334SS*.Hα-helixtrans-63.5-51177.6-70.2-168.9176-166.10111.7C39 F43 L44 T45C39-K41 PolarHBondContact O-N 3.36Å; C39-K41 VanDerWaalsContact O-N 3.13Å; K41-F43 VanDerWaalsContact C-N 3.31Å; K41-F43 PolarHBondContact O-N 2.87Å; K41-L44 PolarHBondContact O-N 3.31Å; K41-T45 WeakPolarHBondContact O-CB 3.38Å; K41-T45 PolarHBondContact O-N 2.93Å; K41-T45 PolarHBondContact O-OG1 3.36Å; K41-T45 VanDerWaalsContact O-OG1 3.06Å
42C92Very high88.8Confident21 Ų2164.2 Ų64.214%0.14235%0.348CS..Hα-helixtrans-58.2-43.3179.5-650000112.2V20 C39 A46V20-C42 HydrophobicContact CB-CB 3.79Å; V20-C42 HydrophobicContact CG1-CB 3.75Å; V20-C42 HydrophobicContact CG2-CB 4.32Å; C39-C42 HydrophobicContact CB-CB 4.06Å; C39-C42 PolarHBondContact O-N 2.7Å; C42-A46 WeakPolarHBondContact O-CB 3.29Å; C42-A46 PolarHBondContact O-N 3.42Å
43F91.6Very high89Confident3 Ų365.4 Ų65.41%0.01334%0.342CS..Hα-helixtrans-61.8-50.8176.3-179.9-100.1000111.8V29 T31 F38 C39 K41 T45 A46 M47 V61 P69V29-F43 HydrophobicContact CG2-CB 3.66Å; V29-F43 HydrophobicContact CG2-CD1 4.26Å; V29-F43 HydrophobicContact CG2-CG 3.9Å; T31-F43 HydrophobicContact CG2-CD2 4.31Å; T31-F43 HydrophobicContact CG2-CE2 3.6Å; T31-F43 HydrophobicContact CG2-CZ 4.36Å; F38-F43 HydrophobicContact CB-CB 4.13Å; F38-F43 HydrophobicContact CD2-CD2 4.04Å; C39-F43 PolarHBondContact O-N 3.09Å; K41-F43 VanDerWaalsContact C-N 3.31Å; K41-F43 PolarHBondContact O-N 2.87Å; F43-T45 PolarHBondContact O-N 3.02Å; F43-A46 PolarHBondContact O-N 2.89Å; F43-M47 HydrophobicContact CD1-CG 4.19Å; F43-M47 HydrophobicContact CD2-CE 4.18Å; F43-M47 HydrophobicContact CE1-CG 3.87Å; F43-M47 HydrophobicContact CE2-CE 3.66Å; F43-M47 HydrophobicContact CE2-CG 4.39Å; F43-M47 HydrophobicContact CE2-SD 4.38Å; F43-M47 HydrophobicContact CZ-CE 3.98Å; F43-M47 HydrophobicContact CZ-CG 4.01Å; F43-M47 HydrophobicContact CZ-SD 4.09Å; F43-M47 VanDerWaalsContact O-CG 3.27Å; F43-M47 WeakPolarHBondContact O-CG 3.38Å; F43-M47 PolarHBondContact O-N 3.28Å; F43-V61 HydrophobicContact CE2-CG1 4.42Å; F43-V61 HydrophobicContact CE2-CG2 4.37Å; F43-V61 HydrophobicContact CZ-CG1 3.75Å; F43-V61 HydrophobicContact CZ-CG2 4.49Å; F43-P69 HydrophobicContact CD1-CB 3.84Å; F43-P69 HydrophobicContact CD1-CG 4.17Å; F43-P69 HydrophobicContact CE1-CB 3.74Å; F43-P69 HydrophobicContact CE1-CG 4.38Å
44L90.2Very high89.1Confident47 Ų4761.9 Ų61.925%0.24631%0.312CS..Hα-helixtrans-65.5-36.2-178.9-69.9174.8000113.2R40 K41 M47 R48 P69R40-L44 HydrophobicContact CG-CD1 3.99Å; R40-L44 WeakPolarHBondContact O-CB 3.37Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.44Å; R40-L44 PolarHBondContact O-N 3.48Å; K41-L44 PolarHBondContact O-N 3.31Å; L44-M47 PolarHBondContact O-N 2.78Å; L44-R48 PolarHBondContact O-N 3.32Å; L44-P69 HydrophobicContact CD2-CG 4.19Å; L44-P69 HydrophobicContact CG-CG 4.49Å
45T90.1Very high89.1Confident66 Ų6662.4 Ų62.441%0.40532%0.316SS..Hα-helixtrans-63.7-48.5173.9-62.40000110.4K41 F43 M47 R48 E49K41-T45 WeakPolarHBondContact O-CB 3.38Å; K41-T45 PolarHBondContact O-N 2.93Å; K41-T45 PolarHBondContact O-OG1 3.36Å; K41-T45 VanDerWaalsContact O-OG1 3.06Å; F43-T45 PolarHBondContact O-N 3.02Å; T45-M47 VanDerWaalsContact C-N 3.3Å; T45-M47 PolarHBondContact O-N 3.39Å; T45-R48 WeakPolarHBondContact O-CA 3.38Å; T45-R48 WeakPolarHBondContact O-CB 3.35Å; T45-R48 PolarHBondContact O-N 3.44Å; T45-E49 HydrophobicContact CG2-CG 4.4Å; T45-E49 VanDerWaalsContact CG2-OE1 3.26Å; T45-E49 WeakPolarHBondContact CG2-OE1 3.24Å; T45-E49 PolarHBondContact O-N 2.92Å
46A88.8Confident89Confident12 Ų1259.5 Ų59.510%0.09930%0.304CS..Hα-helixtrans-61.8-36.8177.400000112.7C42 F43 R48 E49 S50 P55C42-A46 WeakPolarHBondContact O-CB 3.29Å; C42-A46 PolarHBondContact O-N 3.42Å; F43-A46 PolarHBondContact O-N 2.89Å; A46-R48 PolarHBondContact O-N 3.34Å; A46-E49 PolarHBondContact O-N 3.17Å; A46-S50 WeakPolarHBondContact O-CA 3.46Å; A46-S50 WeakPolarHBondContact O-CB 3.44Å; A46-S50 PolarHBondContact O-N 3.49Å; A46-P55 HydrophobicContact CB-CB 4.3Å; A46-P55 HydrophobicContact CB-CG 3.56Å
47M87.4Confident88.9Confident3 Ų359.3 Ų59.32%0.01531%0.309CS..Hα-helixtrans-65.9-21.7173.6-69-62.7117.600114.1F43 L44 T45 G51 H53 V61 R66F43-M47 HydrophobicContact CD1-CG 4.19Å; F43-M47 HydrophobicContact CD2-CE 4.18Å; F43-M47 HydrophobicContact CE1-CG 3.87Å; F43-M47 HydrophobicContact CE2-CE 3.66Å; F43-M47 HydrophobicContact CE2-CG 4.39Å; F43-M47 HydrophobicContact CE2-SD 4.38Å; F43-M47 HydrophobicContact CZ-CE 3.98Å; F43-M47 HydrophobicContact CZ-CG 4.01Å; F43-M47 HydrophobicContact CZ-SD 4.09Å; F43-M47 VanDerWaalsContact O-CG 3.27Å; F43-M47 WeakPolarHBondContact O-CG 3.38Å; F43-M47 PolarHBondContact O-N 3.28Å; L44-M47 PolarHBondContact O-N 2.78Å; T45-M47 VanDerWaalsContact C-N 3.3Å; T45-M47 PolarHBondContact O-N 3.39Å; M47-G51 WeakPolarHBondContact CA-O 3.48Å; M47-H53 WeakPolarHBondContact CE-O 3.38Å; M47-V61 HydrophobicContact CE-CB 4.29Å; M47-V61 HydrophobicContact CE-CG1 4.37Å; M47-V61 HydrophobicContact CE-CG2 3.89Å; M47-V61 HydrophobicContact SD-CB 4.06Å; M47-V61 HydrophobicContact SD-CG1 3.83Å; M47-V61 HydrophobicContact SD-CG2 4.32Å; M47-R66 HydrophobicContact CB-CG 4.2Å; M47-R66 HydrophobicContact CG-CG 4.44Å; M47-R66 PolarHBondContact O-NH2 3.36Å
48R86.3Confident88.7Confident215 Ų21568 Ų6881%0.81134%0.339SS*.Hα-helixtrans-86.3-42177.2-175.5-177.5-64.9-141.2-2.9111L44 T45 A46L44-R48 PolarHBondContact O-N 3.32Å; T45-R48 WeakPolarHBondContact O-CA 3.38Å; T45-R48 WeakPolarHBondContact O-CB 3.35Å; T45-R48 PolarHBondContact O-N 3.44Å; A46-R48 PolarHBondContact O-N 3.34Å
49E85.5Confident88.2Confident148 Ų14869.1 Ų69.169%0.69235%0.35SS*.Hα-helixtrans-87.8-43.8-173.5-67.9171.3-177.700113T45 A46T45-E49 HydrophobicContact CG2-CG 4.4Å; T45-E49 VanDerWaalsContact CG2-OE1 3.26Å; T45-E49 WeakPolarHBondContact CG2-OE1 3.24Å; T45-E49 PolarHBondContact O-N 2.92Å; A46-E49 PolarHBondContact O-N 3.17Å
50S77.6Confident87.8Confident88 Ų8875 Ų7562%0.61538%0.381SS*.SBendtrans-108.24.2-171-49.20000114.2A46A46-S50 WeakPolarHBondContact O-CA 3.46Å; A46-S50 WeakPolarHBondContact O-CB 3.44Å; A46-S50 PolarHBondContact O-N 3.49Å
51G80.2Confident87.5Confident28 Ų2870.2 Ų70.229%0.28937%0.365SS..  trans84.6-170.2179.200000114.7M47 H53M47-G51 WeakPolarHBondContact CA-O 3.48Å; G51-H53 PolarHBondContact O-N 3.35Å
52A85.1Confident87.2Confident38 Ų3866.6 Ų66.631%0.31436%0.356SS..SBendtrans-81.350-171.800000113.6V61A52-V61 PolarHBondContact O-N 2.99Å
53H89.8Confident86.7Confident94 Ų9476 Ų7644%0.43539%0.388SS..BIsolated β-bridgetrans-129.3141.7-175.6-57.9-76.8000111.6M47 G51 R58 G59M47-H53 WeakPolarHBondContact CE-O 3.38Å; G51-H53 PolarHBondContact O-N 3.35Å; H53-R58 PolarHBondContact ND1-O 3.32Å; H53-G59 CarbonylContact C-O 3.5Å; H53-G59 WeakPolarHBondContact CA-O 3.43Å
54C89Confident86.3Confident1 Ų185.9 Ų85.91%0.00743%0.425CS..  trans-59.4130178.2178.30000110.9C34 L56 C57 R58 G59 V61C34-C54 PolarHBondContact SG-SG 3.26Å; C54-L56 PolarHBondContact O-N 3.22Å; C54-L56 VanDerWaalsContact O-N 3.08Å; C54-C57 VanDerWaalsContact SG-SG 3.66Å; C54-R58 WeakPolarHBondContact O-CA 3.16Å; C54-R58 PolarHBondContact O-N 3.3Å; C54-G59 PolarHBondContact N-O 2.93Å; C54-V61 HydrophobicContact CB-CG2 4.32Å
55P88.4Confident86Confident49 Ų4984.3 Ų84.332%0.31842%0.417SS..THydrogen-bonded Turntrans-62-18.6-178.4-25.434.5000115.5V20 F38 A46V20-P55 HydrophobicContact CG2-CB 3.79Å; V20-P55 HydrophobicContact CG2-CG 4.34Å; F38-P55 HydrophobicContact CE1-CB 3.94Å; F38-P55 HydrophobicContact CE1-CG 4.21Å; F38-P55 HydrophobicContact CE2-CG 4.43Å; F38-P55 HydrophobicContact CZ-CB 4.03Å; F38-P55 HydrophobicContact CZ-CG 4.09Å; A46-P55 HydrophobicContact CB-CB 4.3Å; A46-P55 HydrophobicContact CB-CG 3.56Å
56L88.7Confident85.4Confident77 Ų7786.7 Ų86.740%0.40342%0.418SS..THydrogen-bonded Turntrans-97.7-54.7-178.8-75.6163.8000112.9P19 H36 F38 C54P19-L56 HydrophobicContact CB-CD1 3.78Å; P19-L56 HydrophobicContact CB-CD2 3.33Å; P19-L56 HydrophobicContact CB-CG 3.96Å; P19-L56 HydrophobicContact CG-CD1 3.66Å; P19-L56 HydrophobicContact CG-CD2 4.1Å; P19-L56 HydrophobicContact CG-CG 4.4Å; H36-L56 HydrophobicContact CB-CD1 3.91Å; H36-L56 VanDerWaalsContact CD2-CD1 3.48Å; H36-L56 WeakPolarHBondContact CD2-CD1 3.35Å; F38-L56 HydrophobicContact CD1-CD1 4.43Å; F38-L56 HydrophobicContact CE1-CB 4.46Å; F38-L56 HydrophobicContact CE1-CD1 3.34Å; F38-L56 HydrophobicContact CE1-CG 3.51Å; F38-L56 HydrophobicContact CE2-CD1 4.38Å; F38-L56 HydrophobicContact CZ-CB 4.02Å; F38-L56 HydrophobicContact CZ-CD1 3.3Å; F38-L56 HydrophobicContact CZ-CG 3.51Å; C54-L56 PolarHBondContact O-N 3.22Å; C54-L56 VanDerWaalsContact O-N 3.08Å
57C90.3Very high85Confident60 Ų6090 Ų9041%0.40545%0.446SS..THydrogen-bonded Turntrans-104.9-0.7-17364.70000113.8C34 H36 C54 G59C34-C57 PolarHBondContact SG-SG 3.45Å; H36-C57 VanDerWaalsContact CE1-SG 3.59Å; H36-C57 PolarHBondContact ND1-SG 2.93Å; C54-C57 VanDerWaalsContact SG-SG 3.66Å; C57-G59 PolarHBondContact O-N 3.3Å; C57-G59 PolarHBondContact SG-N 3.29Å
58R88.4Confident84.7Confident210 Ų21094.5 Ų94.579%0.79248%0.476SS*.  trans57.710.2-172.6-54.8-179.9178.6-178.1-1.4114.8H53 C54H53-R58 PolarHBondContact ND1-O 3.32Å; C54-R58 WeakPolarHBondContact O-CA 3.16Å; C54-R58 PolarHBondContact O-N 3.3Å
59G84.9Confident84.7Confident24 Ų2484.8 Ų84.825%0.24744%0.441CS..  trans-62.4156.7176.300000112.4H53 C54 C57H53-G59 CarbonylContact C-O 3.5Å; H53-G59 WeakPolarHBondContact CA-O 3.43Å; C54-G59 PolarHBondContact N-O 2.93Å; C57-G59 PolarHBondContact O-N 3.3Å; C57-G59 PolarHBondContact SG-N 3.29Å
60N85.1Confident84.8Confident128 Ų12884.6 Ų84.668%0.68444%0.44SS*.BIsolated β-bridgetrans-64137-174.9-67.734.9000111.7
61V87Confident85.6Confident10 Ų1086.3 Ų86.36%0.06143%0.433CS..  trans-112.7132.2171.1174.50000108.7T31 F43 M47 A52 C54 E65T31-V61 HydrophobicContact CG2-CG2 4.46Å; F43-V61 HydrophobicContact CE2-CG1 4.42Å; F43-V61 HydrophobicContact CE2-CG2 4.37Å; F43-V61 HydrophobicContact CZ-CG1 3.75Å; F43-V61 HydrophobicContact CZ-CG2 4.49Å; M47-V61 HydrophobicContact CE-CB 4.29Å; M47-V61 HydrophobicContact CE-CG1 4.37Å; M47-V61 HydrophobicContact CE-CG2 3.89Å; M47-V61 HydrophobicContact SD-CB 4.06Å; M47-V61 HydrophobicContact SD-CG1 3.83Å; M47-V61 HydrophobicContact SD-CG2 4.32Å; A52-V61 PolarHBondContact O-N 2.99Å; C54-V61 HydrophobicContact CB-CG2 4.32Å; V61-E65 HydrophobicContact CG1-CB 3.71Å
62T84.7Confident86.1Confident77 Ų7785 Ų8547%0.47242%0.42SS..  trans-71.2153.9-178.266.90000111.4R64 E65 R66T62-R64 PolarHBondContact O-N 3.37Å; T62-R64 VanDerWaalsContact O-N 3.15Å; T62-E65 WeakPolarHBondContact CB-OE2 3.43Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.34Å; T62-E65 PolarHBondContact N-OE2 3.22Å; T62-E65 PolarHBondContact O-N 2.89Å; T62-E65 VanDerWaalsContact O-N 3.16Å; T62-E65 VanDerWaalsContact OG1-CG 3.31Å; T62-E65 WeakPolarHBondContact OG1-CG 3.12Å; T62-E65 PolarHBondContact OG1-N 3.42Å; T62-E65 PolarHBondContact OG1-OE2 3.46Å; T62-R66 PolarHBondContact O-N 3.08Å; T62-R66 VanDerWaalsContact O-N 3.12Å
63R82.1Confident86.4Confident217 Ų21787.7 Ų87.782%0.81943%0.428SS*.Hα-helixtrans-56.7-31.3175.6-174.6-178.8-76.4-98.54.1112.3A67R63-A67 PolarHBondContact O-N 3.19Å
64R83.6Confident86.5Confident211 Ų21186.2 Ų86.280%0.79642%0.424SS*.Hα-helixtrans-67.6-47.6177.7-173.7-177.9-71.6-173.8-1.3111.4T62 R66 A67 C68T62-R64 PolarHBondContact O-N 3.37Å; T62-R64 VanDerWaalsContact O-N 3.15Å; R64-R66 VanDerWaalsContact C-N 3.27Å; R64-R66 PolarHBondContact O-N 3.45Å; R64-A67 PolarHBondContact O-N 3.1Å; R64-A67 VanDerWaalsContact O-N 3.15Å; R64-C68 PolarHBondContact O-N 3.14Å
65E82.8Confident86.5Confident15 Ų1586.5 Ų86.57%0.0743%0.425CS..Hα-helixtrans-63.2-34.6177.7-69.9166.8100.700112.2A32 V61 T62 A67 C68 P69A32-E65 WeakPolarHBondContact CB-OE1 3.46Å; A32-E65 PolarHBondContact N-OE1 2.79Å; V61-E65 HydrophobicContact CG1-CB 3.71Å; T62-E65 WeakPolarHBondContact CB-OE2 3.43Å; T62-E65 WeakPolarHBondContact CG2-OE2 3.34Å; T62-E65 PolarHBondContact N-OE2 3.22Å; T62-E65 PolarHBondContact O-N 2.89Å; T62-E65 VanDerWaalsContact O-N 3.16Å; T62-E65 VanDerWaalsContact OG1-CG 3.31Å; T62-E65 WeakPolarHBondContact OG1-CG 3.12Å; T62-E65 PolarHBondContact OG1-N 3.42Å; T62-E65 PolarHBondContact OG1-OE2 3.46Å; E65-A67 VanDerWaalsContact C-N 3.31Å; E65-A67 PolarHBondContact O-N 3.06Å; E65-C68 CarbonylContact O-C 3.49Å; E65-P69 WeakPolarHBondContact O-CA 3.45Å; E65-P69 WeakPolarHBondContact O-CD 3.48Å; E65-P69 VanDerWaalsContact O-N 3.16Å
66R78.3Confident86.6Confident116 Ų11685.9 Ų85.944%0.43842%0.418SS..Hα-helixtrans-60.6-40.5174.2-174.2179.3-170.9-157.73.3112.4M47 T62 R64M47-R66 HydrophobicContact CB-CG 4.2Å; M47-R66 HydrophobicContact CG-CG 4.44Å; M47-R66 PolarHBondContact O-NH2 3.36Å; T62-R66 PolarHBondContact O-N 3.08Å; T62-R66 VanDerWaalsContact O-N 3.12Å; R64-R66 VanDerWaalsContact C-N 3.27Å; R64-R66 PolarHBondContact O-N 3.45Å
67A80.8Confident86.7Confident82 Ų8285.8 Ų85.868%0.67842%0.418SS*.Hα-helixtrans-80.3-45.6-17900000112.1R63 R64 E65R63-A67 PolarHBondContact O-N 3.19Å; R64-A67 PolarHBondContact O-N 3.1Å; R64-A67 VanDerWaalsContact O-N 3.15Å; E65-A67 VanDerWaalsContact C-N 3.31Å; E65-A67 PolarHBondContact O-N 3.06Å
68C81.3Confident86.7Confident97 Ų9784.1 Ų84.166%0.65541%0.405SS*.SBendtrans-138.992.3-178.9-166.70000109.7R64 E65R64-C68 PolarHBondContact O-N 3.14Å; E65-C68 CarbonylContact O-C 3.49Å
69P85.3Confident86.8Confident11 Ų1174.4 Ų74.47%0.07137%0.369CS..PPolyproline II helixtrans-71.4137.517927.3-33.7000110.9V29 R40 F43 L44 E65V29-P69 HydrophobicContact CB-CB 4.02Å; V29-P69 HydrophobicContact CG1-CB 3.91Å; V29-P69 HydrophobicContact CG1-CG 4.05Å; V29-P69 HydrophobicContact CG2-CB 4.37Å; R40-P69 HydrophobicContact CG-CG 4.23Å; F43-P69 HydrophobicContact CD1-CB 3.84Å; F43-P69 HydrophobicContact CD1-CG 4.17Å; F43-P69 HydrophobicContact CE1-CB 3.74Å; F43-P69 HydrophobicContact CE1-CG 4.38Å; L44-P69 HydrophobicContact CD2-CG 4.19Å; L44-P69 HydrophobicContact CG-CG 4.49Å; E65-P69 WeakPolarHBondContact O-CA 3.45Å; E65-P69 WeakPolarHBondContact O-CD 3.48Å; E65-P69 VanDerWaalsContact O-N 3.16Å
70E88.4Confident87.1Confident144 Ų14479.4 Ų79.467%0.67338%0.38SS*.PPolyproline II helixtrans-72.2134.3178.9-170.5169.4-174.500111.1V29 R30V29-E70 WeakPolarHBondContact CA-O 3.22Å; V29-E70 WeakPolarHBondContact CB-O 3.36Å; R30-E70 PolarHBondContact N-O 3.09Å; R30-E70 VanDerWaalsContact N-O 3.15Å
71R92.7Very high87.3Confident123 Ų12381.3 Ų81.346%0.46438%0.382SS..BIsolated β-bridgetrans-82.3133.5179.7-71178.166.2-171.40.7110.4P28 L73 E76P28-R71 WeakPolarHBondContact O-CA 3.48Å; R71-L73 VanDerWaalsContact C-N 3.26Å; R71-L73 HydrophobicContact CB-CD2 4.11Å; R71-L73 HydrophobicContact CB-CG 4.3Å; R71-L73 PolarHBondContact O-N 2.89Å; R71-E76 IonicContact CZ-OE1 3.36Å; R71-E76 IonicContact CZ-OE2 3.74Å; R71-E76 IonicContact NE-OE1 3.11Å; R71-E76 PolarHBondContact NE-OE1 2.9Å; R71-E76 VanDerWaalsContact NE-OE1 3.11Å; R71-E76 IonicContact NH2-OE1 2.79Å; R71-E76 PolarHBondContact NH2-OE1 2.88Å; R71-E76 IonicContact NH2-OE2 2.72Å; R71-E76 PolarHBondContact NH2-OE2 2.99Å
72A92.2Very high87.4Confident2 Ų285.2 Ų85.22%0.01740%0.398CS..  trans-79.772.9172.500000110.4P28 R30 D74 L75 E76P28-A72 HydrophobicContact CB-CB 4.24Å; P28-A72 HydrophobicContact CG-CB 4.4Å; P28-A72 PolarHBondContact O-N 3.44Å; R30-A72 HydrophobicContact CB-CB 4.15Å; A72-D74 VanDerWaalsContact C-N 3.27Å; A72-D74 WeakPolarHBondContact CA-OD1 3.47Å; A72-D74 PolarHBondContact O-N 3.04Å; A72-L75 HydrophobicContact CB-CB 4Å; A72-L75 PolarHBondContact O-N 3.43Å; A72-L75 VanDerWaalsContact O-N 3.12Å; A72-E76 PolarHBondContact O-N 2.98Å
73L90.9Very high87.7Confident93 Ų9384 Ų8449%0.48739%0.393SS..Hα-helixtrans-64.2-32-176.9-64.5178.6000112.9R71 L75 E76 N77R71-L73 VanDerWaalsContact C-N 3.26Å; R71-L73 HydrophobicContact CB-CD2 4.11Å; R71-L73 HydrophobicContact CB-CG 4.3Å; R71-L73 PolarHBondContact O-N 2.89Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L73-E76 PolarHBondContact O-N 3.39Å; L73-N77 WeakPolarHBondContact O-CB 3.47Å; L73-N77 VanDerWaalsContact O-CG 3.31Å; L73-N77 PolarHBondContact O-N 2.66Å; L73-N77 PolarHBondContact O-ND2 2.98Å
74D90.8Very high88Confident64 Ų6473.7 Ų73.734%0.34235%0.354SS..Hα-helixtrans-53.6-51.7169.158.2-43.4000110.5R30 A72 E76 N77 I78R30-D74 IonicContact CZ-OD1 3.31Å; R30-D74 IonicContact CZ-OD2 3.92Å; R30-D74 VanDerWaalsContact CZ-OD2 3.29Å; R30-D74 IonicContact NH1-OD1 2.67Å; R30-D74 IonicContact NH1-OD2 3.53Å; R30-D74 PolarHBondContact NH1-OD2 3.08Å; R30-D74 IonicContact NH2-OD1 3.78Å; R30-D74 IonicContact NH2-OD2 3.67Å; R30-D74 PolarHBondContact NH2-OD2 2.85Å; A72-D74 VanDerWaalsContact C-N 3.27Å; A72-D74 WeakPolarHBondContact CA-OD1 3.47Å; A72-D74 PolarHBondContact O-N 3.04Å; D74-E76 PolarHBondContact O-N 2.96Å; D74-N77 PolarHBondContact O-N 2.92Å; D74-I78 WeakPolarHBondContact O-CD1 3.08Å; D74-I78 VanDerWaalsContact O-CG1 3.3Å; D74-I78 WeakPolarHBondContact O-CG1 3.22Å; D74-I78 PolarHBondContact O-N 3.23Å
75L90.4Very high88.3Confident6 Ų666.1 Ų66.13%0.03133%0.333CS..Hα-helixtrans-67.3-38.9179.9-165.268.6000111.9Y11 F16 L25 P28 V37 A72 L73 N77 I78 M79Y11-L75 HydrophobicContact CD1-CD1 4.43Å; Y11-L75 HydrophobicContact CE1-CD1 4.2Å; F16-L75 HydrophobicContact CD1-CD1 4.22Å; F16-L75 HydrophobicContact CE1-CD1 3.93Å; L25-L75 HydrophobicContact CD1-CD2 3.54Å; P28-L75 HydrophobicContact CB-CD2 4.13Å; P28-L75 HydrophobicContact CG-CD2 4.49Å; V37-L75 HydrophobicContact CB-CD2 4.4Å; V37-L75 HydrophobicContact CG1-CD2 3.67Å; V37-L75 HydrophobicContact CG2-CD2 4.4Å; A72-L75 HydrophobicContact CB-CB 4Å; A72-L75 PolarHBondContact O-N 3.43Å; A72-L75 VanDerWaalsContact O-N 3.12Å; L73-L75 VanDerWaalsContact C-N 3.33Å; L75-N77 VanDerWaalsContact C-N 3.28Å; L75-N77 PolarHBondContact O-N 2.8Å; L75-I78 PolarHBondContact O-N 3.18Å; L75-M79 WeakPolarHBondContact O-CB 3.19Å; L75-M79 VanDerWaalsContact O-CG 3.23Å; L75-M79 WeakPolarHBondContact O-CG 3.39Å; L75-M79 PolarHBondContact O-N 3.43Å
76E89.4Confident88.6Confident36 Ų3665.4 Ų65.417%0.16833%0.33CS..Hα-helixtrans-59.5-38.5173.9-68.7-172.5-172.200112.6P28 R71 A72 L73 D74 R80P28-E76 HydrophobicContact CG-CG 3.44Å; P28-E76 VanDerWaalsContact CG-CG 3.44Å; R71-E76 IonicContact CZ-OE1 3.36Å; R71-E76 IonicContact CZ-OE2 3.74Å; R71-E76 IonicContact NE-OE1 3.11Å; R71-E76 PolarHBondContact NE-OE1 2.9Å; R71-E76 VanDerWaalsContact NE-OE1 3.11Å; R71-E76 IonicContact NH2-OE1 2.79Å; R71-E76 PolarHBondContact NH2-OE1 2.88Å; R71-E76 IonicContact NH2-OE2 2.72Å; R71-E76 PolarHBondContact NH2-OE2 2.99Å; A72-E76 PolarHBondContact O-N 2.98Å; L73-E76 PolarHBondContact O-N 3.39Å; D74-E76 PolarHBondContact O-N 2.96Å; E76-R80 PolarHBondContact O-N 3.13Å
77N91.1Very high88.9Confident75 Ų7566.8 Ų66.840%0.40134%0.335SS..Hα-helixtrans-70.1-37.8177.2-74.8-34000111.7L73 D74 L75 R80L73-N77 WeakPolarHBondContact O-CB 3.47Å; L73-N77 VanDerWaalsContact O-CG 3.31Å; L73-N77 PolarHBondContact O-N 2.66Å; L73-N77 PolarHBondContact O-ND2 2.98Å; D74-N77 PolarHBondContact O-N 2.92Å; L75-N77 VanDerWaalsContact C-N 3.28Å; L75-N77 PolarHBondContact O-N 2.8Å; N77-R80 WeakPolarHBondContact O-CB 3.46Å; N77-R80 PolarHBondContact O-N 2.91Å; N77-R80 PolarHBondContact OD1-NH1 2.79Å; N77-R80 PolarHBondContact OD1-NH2 3.33Å
78I90.4Very high89.1Confident26 Ų2663.9 Ų63.913%0.13331%0.31CS..Hα-helixtrans-64.2-46.2173.9-65.2156.4000110Y11 F16 D74 L75 R80 K81 F82Y11-I78 HydrophobicContact CD2-CD1 4.09Å; Y11-I78 HydrophobicContact CD2-CG2 3.85Å; Y11-I78 HydrophobicContact CE1-CD1 4.07Å; Y11-I78 HydrophobicContact CE2-CD1 3.27Å; Y11-I78 HydrophobicContact CE2-CG1 4.08Å; Y11-I78 HydrophobicContact CE2-CG2 4.17Å; Y11-I78 HydrophobicContact CG-CG2 4.2Å; Y11-I78 VanDerWaalsContact OH-CD1 3.32Å; Y11-I78 WeakPolarHBondContact OH-CD1 3.42Å; F16-I78 HydrophobicContact CE1-CB 4.38Å; F16-I78 HydrophobicContact CE1-CG2 3.66Å; F16-I78 HydrophobicContact CZ-CG2 3.58Å; D74-I78 WeakPolarHBondContact O-CD1 3.08Å; D74-I78 VanDerWaalsContact O-CG1 3.3Å; D74-I78 WeakPolarHBondContact O-CG1 3.22Å; D74-I78 PolarHBondContact O-N 3.23Å; L75-I78 PolarHBondContact O-N 3.18Å; I78-R80 PolarHBondContact O-N 2.75Å; I78-K81 PolarHBondContact O-N 2.96Å; I78-F82 HydrophobicContact CG2-CD2 3.47Å; I78-F82 VanDerWaalsContact CG2-CD2 3.47Å; I78-F82 HydrophobicContact CG2-CE2 3.68Å; I78-F82 HydrophobicContact CG2-CG 4.39Å; I78-F82 WeakPolarHBondContact O-CD2 3.46Å; I78-F82 PolarHBondContact O-N 3.12Å
79M91.3Very high89.5Confident6 Ų660.6 Ų60.63%0.0329%0.288CS..Hα-helixtrans-58.6-20.3176.2-71.5178.182.300114.3F16 V24 L25 L75 F95 Y96F16-M79 HydrophobicContact CD1-CG 3.33Å; F16-M79 HydrophobicContact CD1-SD 4.34Å; F16-M79 HydrophobicContact CE1-CG 3.74Å; F16-M79 HydrophobicContact CG-CG 4.27Å; V24-M79 HydrophobicContact CG1-CE 3.49Å; V24-M79 VanDerWaalsContact CG1-CE 3.49Å; L25-M79 HydrophobicContact CB-CE 4.03Å; L25-M79 HydrophobicContact CB-SD 4.17Å; L25-M79 WeakPolarHBondContact O-CE 3.2Å; L75-M79 WeakPolarHBondContact O-CB 3.19Å; L75-M79 VanDerWaalsContact O-CG 3.23Å; L75-M79 WeakPolarHBondContact O-CG 3.39Å; L75-M79 PolarHBondContact O-N 3.43Å; M79-F95 HydrophobicContact CB-CB 4.04Å; M79-F95 HydrophobicContact CE-CB 3.95Å; M79-F95 HydrophobicContact CG-CB 4.19Å; M79-F95 PolarHBondContact O-N 3.33Å; M79-Y96 PolarHBondContact O-N 3.2Å; M79-Y96 VanDerWaalsContact O-N 3.12Å
80R90.3Very high89.6Confident128 Ų12863.8 Ų63.848%0.48332%0.315SS..Hα-helixtrans-79.6-27.8174.6-165.7-176.6-60.2138.510.6112.6E76 N77 I78 Y96E76-R80 PolarHBondContact O-N 3.13Å; N77-R80 WeakPolarHBondContact O-CB 3.46Å; N77-R80 PolarHBondContact O-N 2.91Å; N77-R80 PolarHBondContact OD1-NH1 2.79Å; N77-R80 PolarHBondContact OD1-NH2 3.33Å; I78-R80 PolarHBondContact O-N 2.75Å; R80-Y96 HydrophobicContact CB-CD1 4.45Å; R80-Y96 HydrophobicContact CG-CD1 4.29Å; R80-Y96 HydrophobicContact CG-CE1 4.26Å
81K89.2Confident89.6Confident169 Ų16963.1 Ų63.174%0.73531%0.31SS*.Hα-helixtrans-89.4-42.7-178.8-64178.9-178.7-178.80111.3I78I78-K81 PolarHBondContact O-N 2.96Å
82F89.5Confident89.6Confident92 Ų9263.5 Ų63.540%0.40432%0.317SS..  trans-79.9143.4-177.5-76.8-100.6000112.4F16 I78 K94 F95F16-F82 HydrophobicContact CE2-CB 4.17Å; F16-F82 HydrophobicContact CE2-CG 4.36Å; F16-F82 HydrophobicContact CZ-CB 4.15Å; F16-F82 HydrophobicContact CZ-CD2 4.42Å; F16-F82 HydrophobicContact CZ-CG 4.17Å; I78-F82 HydrophobicContact CG2-CD2 3.47Å; I78-F82 VanDerWaalsContact CG2-CD2 3.47Å; I78-F82 HydrophobicContact CG2-CE2 3.68Å; I78-F82 HydrophobicContact CG2-CG 4.39Å; I78-F82 WeakPolarHBondContact O-CD2 3.46Å; I78-F82 PolarHBondContact O-N 3.12Å; F82-K94 WeakPolarHBondContact O-CA 3.45Å; F82-F95 HydrophobicContact CB-CD2 3.91Å; F82-F95 HydrophobicContact CB-CE2 4.22Å; F82-F95 PolarHBondContact O-N 2.9Å; F82-F95 VanDerWaalsContact O-N 3.15Å
83S91.3Very high89.5Confident52 Ų5265 Ų6536%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-119.5139.1173.8-540000109I93 K94S83-I93 WeakPolarHBondContact CA-O 3.47Å; S83-K94 WeakPolarHBondContact OG-CG 3.29Å
84G88.4Confident89.5Confident0 Ų065.1 Ų65.10%032%0.321CS..EExtended strand (participates in β ladder)trans-123.6164.4174.100000110.6E13 Q92 I93 M98E13-G84 WeakPolarHBondContact OE1-CA 3.45Å; G84-Q92 PolarHBondContact O-OE1 3.38Å; G84-I93 PolarHBondContact N-O 2.85Å; G84-I93 PolarHBondContact O-N 2.88Å; G84-I93 VanDerWaalsContact O-O 3.12Å; G84-M98 WeakPolarHBondContact O-CE 3.16Å
85S89.9Confident89.5Confident51 Ų5162.2 Ų62.236%0.35731%0.306SS..EExtended strand (participates in β ladder)trans-85.1135.6178.968.70000110.7R87 Q92S85-R87 PolarHBondContact O-N 3.08Å; S85-Q92 VanDerWaalsContact CB-OE1 3.29Å
86C87.5Confident89.4Confident1 Ų166.7 Ų66.71%0.00732%0.323CS..  trans-69.6123.7172.4175.40000110C88 C89 A90 K91 M98 H101C86-C88 PolarHBondContact O-N 3.15Å; C86-C88 VanDerWaalsContact O-N 3.09Å; C86-C89 VanDerWaalsContact CB-SG 3.58Å; C86-C89 PolarHBondContact O-N 3.43Å; C86-A90 VanDerWaalsContact O-CA 3.24Å; C86-A90 WeakPolarHBondContact O-CA 3.19Å; C86-A90 PolarHBondContact O-N 3.11Å; C86-K91 PolarHBondContact N-O 2.8Å; C86-M98 HydrophobicContact CB-SD 4.07Å; C86-H101 WeakPolarHBondContact CB-NE2 3.44Å; C86-H101 PolarHBondContact SG-NE2 3.3Å
87R85.2Confident89.4Confident144 Ų14472 Ų7254%0.54334%0.341SS..THydrogen-bonded Turntrans-51.4-35.1-179-63.8176.1177.6160-5114.2Y17 Q22 S85Y17-R87 VanDerWaalsContact CD1-NH2 3.25Å; Q22-R87 PolarHBondContact O-NH1 3.37Å; S85-R87 PolarHBondContact O-N 3.08Å
88C86Confident89.3Confident21 Ų2168.4 Ų68.414%0.14232%0.322CS..THydrogen-bonded Turntrans-95.7-33-174.9-52.10000113.9C86 K107 E111C86-C88 PolarHBondContact O-N 3.15Å; C86-C88 VanDerWaalsContact O-N 3.09Å; C88-K107 HydrophobicContact CB-CB 3.81Å; C88-K107 WeakPolarHBondContact O-CD 3.49Å; C88-E111 PolarHBondContact SG-OE2 3.15Å
89C88.6Confident89.3Confident29 Ų2970 Ų7020%0.19633%0.326CS..THydrogen-bonded Turntrans-117.80.7-173.677.20000114.8C86 K91 H101 C105 K107C86-C89 VanDerWaalsContact CB-SG 3.58Å; C86-C89 PolarHBondContact O-N 3.43Å; C89-K91 PolarHBondContact O-N 3.37Å; C89-K91 VanDerWaalsContact SG-CG 3.57Å; C89-H101 PolarHBondContact SG-CE1 3.08Å; C89-H101 PolarHBondContact SG-NE2 3.33Å; C89-C105 VanDerWaalsContact SG-SG 3.67Å; C89-K107 HydrophobicContact CB-CD 4.22Å
90A87.1Confident89.1Confident78 Ų7876 Ų7665%0.64535%0.354SS*.  trans55.58.8-17800000115.4C86 Q92C86-A90 VanDerWaalsContact O-CA 3.24Å; C86-A90 WeakPolarHBondContact O-CA 3.19Å; C86-A90 PolarHBondContact O-N 3.11Å; A90-Q92 PolarHBondContact O-N 3.41Å
91K88.6Confident89.1Confident130 Ų13070.8 Ų70.857%0.56534%0.335SS*.  trans-69.3134.2176.4-68.8-177.1-177.9-177.40110C86 C89 I93C86-K91 PolarHBondContact N-O 2.8Å; C89-K91 PolarHBondContact O-N 3.37Å; C89-K91 VanDerWaalsContact SG-CG 3.57Å; K91-I93 HydrophobicContact CB-CD1 4.26Å; K91-I93 HydrophobicContact CB-CG1 4.3Å; K91-I93 PolarHBondContact O-N 3.14Å
92Q92.4Very high89Confident130 Ų13063.2 Ų63.261%0.60730%0.302SS*.EExtended strand (participates in β ladder)trans-73.5117.5171.4-70.3-70.868.700109.9G84 S85 A90G84-Q92 PolarHBondContact O-OE1 3.38Å; S85-Q92 VanDerWaalsContact CB-OE1 3.29Å; A90-Q92 PolarHBondContact O-N 3.41Å
93I90.9Very high88.8Confident35 Ų3566.5 Ų66.518%0.17932%0.316CS..EExtended strand (participates in β ladder)trans-131.9135.3-179.2-52.8-69000108.4S83 G84 K91 F95 R97 M98 H101S83-I93 WeakPolarHBondContact CA-O 3.47Å; G84-I93 PolarHBondContact N-O 2.85Å; G84-I93 PolarHBondContact O-N 2.88Å; G84-I93 VanDerWaalsContact O-O 3.12Å; K91-I93 HydrophobicContact CB-CD1 4.26Å; K91-I93 HydrophobicContact CB-CG1 4.3Å; K91-I93 PolarHBondContact O-N 3.14Å; I93-F95 PolarHBondContact O-N 3.21Å; I93-R97 HydrophobicContact CG2-CB 3.96Å; I93-M98 HydrophobicContact CB-CE 3.72Å; I93-M98 HydrophobicContact CB-SD 3.85Å; I93-M98 HydrophobicContact CG1-CE 4.43Å; I93-M98 HydrophobicContact CG1-SD 4.23Å; I93-M98 HydrophobicContact CG2-SD 4.28Å; I93-H101 HydrophobicContact CG1-CB 4.24Å; I93-H101 HydrophobicContact CG2-CB 4.09Å
94K90.9Very high88.6Confident95 Ų9567.8 Ų67.841%0.41333%0.325SS..EExtended strand (participates in β ladder)trans-57.8134.2172-65.9-177.7172.6-168.50110.2F82 S83 Y96 R97 M98F82-K94 WeakPolarHBondContact O-CA 3.45Å; S83-K94 WeakPolarHBondContact OG-CG 3.29Å; K94-Y96 VanDerWaalsContact C-N 3.27Å; K94-Y96 HydrophobicContact CB-CD1 3.55Å; K94-Y96 HydrophobicContact CB-CE1 3.44Å; K94-Y96 VanDerWaalsContact CB-CE1 3.44Å; K94-Y96 HydrophobicContact CD-CD1 4.42Å; K94-Y96 HydrophobicContact CD-CE1 3.62Å; K94-Y96 HydrophobicContact CG-CE1 4.16Å; K94-Y96 PolarHBondContact O-N 3.33Å; K94-Y96 VanDerWaalsContact O-N 3.14Å; K94-R97 WeakPolarHBondContact O-CA 3.47Å; K94-R97 PolarHBondContact O-N 3.25Å; K94-M98 PolarHBondContact O-N 3.24Å; K94-M98 VanDerWaalsContact O-N 3.17Å
95F90.4Very high88.5Confident3 Ų368.2 Ų68.21%0.01333%0.328CS..Hα-helixtrans-55.4-40.1-171.7-80.4-76.1000113.1E13 F16 Y17 V24 M79 F82 I93 R97 M98E13-F95 HydrophobicContact CB-CZ 4.1Å; E13-F95 HydrophobicContact CG-CZ 4.12Å; F16-F95 HydrophobicContact CB-CD1 3.64Å; F16-F95 HydrophobicContact CB-CD2 4.44Å; F16-F95 HydrophobicContact CB-CE1 3.84Å; F16-F95 HydrophobicContact CB-CG 3.97Å; F16-F95 HydrophobicContact CB-CZ 4.32Å; F16-F95 HydrophobicContact CD2-CD1 4.21Å; F16-F95 AromaticContact CD2-CD2 3.62Å; F16-F95 HydrophobicContact CD2-CD2 3.62Å; F16-F95 HydrophobicContact CD2-CE1 4.03Å; F16-F95 AromaticContact CD2-CE2 3.41Å; F16-F95 HydrophobicContact CD2-CE2 3.41Å; F16-F95 VanDerWaalsContact CD2-CE2 3.41Å; F16-F95 HydrophobicContact CD2-CG 4.02Å; F16-F95 AromaticContact CD2-CZ 3.64Å; F16-F95 HydrophobicContact CD2-CZ 3.64Å; F16-F95 HydrophobicContact CE2-CD2 4.02Å; F16-F95 AromaticContact CE2-CE2 3.82Å; F16-F95 HydrophobicContact CE2-CE2 3.82Å; F16-F95 HydrophobicContact CE2-CZ 4.42Å; F16-F95 HydrophobicContact CG-CD1 4.1Å; F16-F95 AromaticContact CG-CD2 3.99Å; F16-F95 HydrophobicContact CG-CD2 3.99Å; F16-F95 HydrophobicContact CG-CE1 4.28Å; F16-F95 HydrophobicContact CG-CE2 4.18Å; F16-F95 AromaticContact CG-CG 3.95Å; F16-F95 HydrophobicContact CG-CG 3.95Å; F16-F95 HydrophobicContact CG-CZ 4.32Å; Y17-F95 HydrophobicContact CE2-CE1 4.06Å; V24-F95 HydrophobicContact CG1-CB 4.3Å; V24-F95 HydrophobicContact CG1-CD1 3.97Å; V24-F95 HydrophobicContact CG2-CD1 4.09Å; V24-F95 HydrophobicContact CG2-CE1 4.47Å; M79-F95 HydrophobicContact CB-CB 4.04Å; M79-F95 HydrophobicContact CE-CB 3.95Å; M79-F95 HydrophobicContact CG-CB 4.19Å; M79-F95 PolarHBondContact O-N 3.33Å; F82-F95 HydrophobicContact CB-CD2 3.91Å; F82-F95 HydrophobicContact CB-CE2 4.22Å; F82-F95 PolarHBondContact O-N 2.9Å; F82-F95 VanDerWaalsContact O-N 3.15Å; I93-F95 PolarHBondContact O-N 3.21Å; F95-R97 PolarHBondContact O-N 3Å; F95-R97 VanDerWaalsContact O-N 3.08Å; F95-M98 WeakPolarHBondContact O-CB 3.46Å; F95-M98 PolarHBondContact O-N 3.26Å
96Y88.6Confident88.3Confident99 Ų9973.6 Ų73.639%0.38835%0.345SS..Hα-helixtrans-59.4-23.8176.885-75.2000114.3M79 R80 K94M79-Y96 PolarHBondContact O-N 3.2Å; M79-Y96 VanDerWaalsContact O-N 3.12Å; R80-Y96 HydrophobicContact CB-CD1 4.45Å; R80-Y96 HydrophobicContact CG-CD1 4.29Å; R80-Y96 HydrophobicContact CG-CE1 4.26Å; K94-Y96 VanDerWaalsContact C-N 3.27Å; K94-Y96 HydrophobicContact CB-CD1 3.55Å; K94-Y96 HydrophobicContact CB-CE1 3.44Å; K94-Y96 VanDerWaalsContact CB-CE1 3.44Å; K94-Y96 HydrophobicContact CD-CD1 4.42Å; K94-Y96 HydrophobicContact CD-CE1 3.62Å; K94-Y96 HydrophobicContact CG-CE1 4.16Å; K94-Y96 PolarHBondContact O-N 3.33Å; K94-Y96 VanDerWaalsContact O-N 3.14Å
97R89.9Confident88.2Confident148 Ų14879.9 Ų79.956%0.55837%0.372SS*.Hα-helixtrans-99.7-10.3176.8-79-178.4175.3174.75.2113.6I93 K94 F95 R99 H100 H101I93-R97 HydrophobicContact CG2-CB 3.96Å; K94-R97 WeakPolarHBondContact O-CA 3.47Å; K94-R97 PolarHBondContact O-N 3.25Å; F95-R97 PolarHBondContact O-N 3Å; F95-R97 VanDerWaalsContact O-N 3.08Å; R97-R99 VanDerWaalsContact C-N 3.3Å; R97-R99 PolarHBondContact O-N 2.83Å; R97-H100 WeakPolarHBondContact O-CA 3.19Å; R97-H100 WeakPolarHBondContact O-CB 3.34Å; R97-H100 PolarHBondContact O-N 3.45Å; R97-H101 PolarHBondContact O-N 2.86Å
98M89.7Confident88Confident0 Ų074.5 Ų74.50%035%0.352CS..Hα-helixtrans-57.7-41.6-173.4-17064.780.900112.3V24 G84 C86 I93 K94 F95 H100 H101 Y102V24-M98 HydrophobicContact CB-CB 4.37Å; V24-M98 HydrophobicContact CG1-CB 4.33Å; V24-M98 HydrophobicContact CG2-CB 3.98Å; V24-M98 HydrophobicContact CG2-CG 3.76Å; G84-M98 WeakPolarHBondContact O-CE 3.16Å; C86-M98 HydrophobicContact CB-SD 4.07Å; I93-M98 HydrophobicContact CB-CE 3.72Å; I93-M98 HydrophobicContact CB-SD 3.85Å; I93-M98 HydrophobicContact CG1-CE 4.43Å; I93-M98 HydrophobicContact CG1-SD 4.23Å; I93-M98 HydrophobicContact CG2-SD 4.28Å; K94-M98 PolarHBondContact O-N 3.24Å; K94-M98 VanDerWaalsContact O-N 3.17Å; F95-M98 WeakPolarHBondContact O-CB 3.46Å; F95-M98 PolarHBondContact O-N 3.26Å; M98-H100 VanDerWaalsContact C-N 3.29Å; M98-H100 PolarHBondContact O-N 3.08Å; M98-H101 WeakPolarHBondContact O-CB 3.44Å; M98-H101 PolarHBondContact O-N 3.36Å; M98-H101 VanDerWaalsContact O-N 3.13Å; M98-Y102 HydrophobicContact CG-CE1 3.84Å; M98-Y102 HydrophobicContact CG-CE2 4.11Å; M98-Y102 WeakPolarHBondContact CG-OH 3.33Å; M98-Y102 PolarHBondContact O-N 2.72Å; M98-Y102 HydrophobicContact SD-CE1 3.96Å
99R88.9Confident87.9Confident60 Ų6077.4 Ų77.423%0.22636%0.363CS..Hα-helixtrans-64.2-30.4174.6-76.2-155.9-178.6-124-3.7114.6C21 E23 V24 C39 R97C21-R99 PolarHBondContact SG-NH2 2.96Å; C21-R99 VanDerWaalsContact SG-NH2 3.41Å; E23-R99 IonicContact OE2-CZ 2.76Å; E23-R99 IonicContact OE2-NH1 3.29Å; E23-R99 PolarHBondContact OE2-NH1 3.22Å; E23-R99 IonicContact OE2-NH2 2.88Å; E23-R99 PolarHBondContact OE2-NH2 2.83Å; V24-R99 PolarHBondContact O-NE 3.22Å; V24-R99 PolarHBondContact O-NH2 2.93Å; C39-R99 PolarHBondContact SG-NH2 3.5Å; R97-R99 VanDerWaalsContact C-N 3.3Å; R97-R99 PolarHBondContact O-N 2.83Å
100H88.8Confident87.5Confident131 Ų13182.4 Ų82.461%0.60639%0.388SS*.Hα-helixtrans-74.2-39.3173.8-178.481.2000110.2R97 M98 Y102 K103R97-H100 WeakPolarHBondContact O-CA 3.19Å; R97-H100 WeakPolarHBondContact O-CB 3.34Å; R97-H100 PolarHBondContact O-N 3.45Å; M98-H100 VanDerWaalsContact C-N 3.29Å; M98-H100 PolarHBondContact O-N 3.08Å; H100-Y102 VanDerWaalsContact C-N 3.31Å; H100-Y102 PolarHBondContact O-N 3.37Å; H100-K103 WeakPolarHBondContact O-CB 3.31Å; H100-K103 PolarHBondContact O-N 3.08Å; H100-K103 VanDerWaalsContact O-N 3.08Å
101H89.5Confident87.2Confident18 Ų1883.9 Ų83.98%0.08338%0.382CS..Hα-helixtrans-58.3-40.2174.4167.870.8000112.6C86 C89 I93 R97 M98 K103 S104 C105C86-H101 WeakPolarHBondContact CB-NE2 3.44Å; C86-H101 PolarHBondContact SG-NE2 3.3Å; C89-H101 PolarHBondContact SG-CE1 3.08Å; C89-H101 PolarHBondContact SG-NE2 3.33Å; I93-H101 HydrophobicContact CG1-CB 4.24Å; I93-H101 HydrophobicContact CG2-CB 4.09Å; R97-H101 PolarHBondContact O-N 2.86Å; M98-H101 WeakPolarHBondContact O-CB 3.44Å; M98-H101 PolarHBondContact O-N 3.36Å; M98-H101 VanDerWaalsContact O-N 3.13Å; H101-K103 PolarHBondContact O-N 2.75Å; H101-K103 VanDerWaalsContact O-N 3.13Å; H101-S104 CarbonylContact O-C 3.5Å; H101-S104 PolarHBondContact O-N 3.24Å; H101-S104 PolarHBondContact O-OG 3.08Å; H101-C105 WeakPolarHBondContact NE2-CB 3.15Å; H101-C105 WeakPolarHBondContact O-CB 3.4Å; H101-C105 PolarHBondContact O-N 2.79Å
102Y87.3Confident86.6Confident11 Ų1183.4 Ų83.44%0.04338%0.377CS..Hα-helixtrans-54.5-32.5174.7-66.3-23.8000113.6M98 H100 S104 Y108M98-Y102 HydrophobicContact CG-CE1 3.84Å; M98-Y102 HydrophobicContact CG-CE2 4.11Å; M98-Y102 WeakPolarHBondContact CG-OH 3.33Å; M98-Y102 PolarHBondContact O-N 2.72Å; M98-Y102 HydrophobicContact SD-CE1 3.96Å; H100-Y102 VanDerWaalsContact C-N 3.31Å; H100-Y102 PolarHBondContact O-N 3.37Å; Y102-S104 VanDerWaalsContact C-N 3.31Å; Y102-S104 PolarHBondContact O-N 3.41Å; Y102-Y108 AromaticContact CD1-CD1 4Å; Y102-Y108 HydrophobicContact CD1-CD1 4Å; Y102-Y108 AromaticContact CD1-CD2 3.4Å; Y102-Y108 HydrophobicContact CD1-CD2 3.4Å; Y102-Y108 VanDerWaalsContact CD1-CD2 3.4Å; Y102-Y108 HydrophobicContact CD1-CE1 4.13Å; Y102-Y108 AromaticContact CD1-CE2 3.53Å; Y102-Y108 HydrophobicContact CD1-CE2 3.53Å; Y102-Y108 AromaticContact CD1-CG 3.64Å; Y102-Y108 HydrophobicContact CD1-CG 3.64Å; Y102-Y108 AromaticContact CD1-CZ 3.89Å; Y102-Y108 HydrophobicContact CD2-CE1 4.01Å; Y102-Y108 AromaticContact CD2-CE2 3.97Å; Y102-Y108 HydrophobicContact CD2-CE2 3.97Å; Y102-Y108 AromaticContact CD2-CZ 3.62Å; Y102-Y108 AromaticContact CE1-CD2 3.66Å; Y102-Y108 HydrophobicContact CE1-CD2 3.66Å; Y102-Y108 AromaticContact CE1-CE2 3.6Å; Y102-Y108 HydrophobicContact CE1-CE2 3.6Å; Y102-Y108 HydrophobicContact CE1-CG 4.35Å; Y102-Y108 HydrophobicContact CE2-CE2 4.03Å; Y102-Y108 AromaticContact CG-CD1 3.83Å; Y102-Y108 HydrophobicContact CG-CD1 3.83Å; Y102-Y108 AromaticContact CG-CD2 3.95Å; Y102-Y108 HydrophobicContact CG-CD2 3.95Å; Y102-Y108 AromaticContact CG-CE1 3.63Å; Y102-Y108 HydrophobicContact CG-CE1 3.63Å; Y102-Y108 AromaticContact CG-CE2 3.75Å; Y102-Y108 HydrophobicContact CG-CE2 3.75Å; Y102-Y108 AromaticContact CG-CG 3.98Å; Y102-Y108 HydrophobicContact CG-CG 3.98Å; Y102-Y108 AromaticContact CG-CZ 3.57Å; Y102-Y108 AromaticContact CZ-CE2 3.85Å
103K85.6Confident85.5Confident161 Ų16178.2 Ų78.270%0.736%0.358SS*.THydrogen-bonded Turntrans-74.6-14.8175.7-59-174.7173.3-163.90114.9H100 H101 Q109H100-K103 WeakPolarHBondContact O-CB 3.31Å; H100-K103 PolarHBondContact O-N 3.08Å; H100-K103 VanDerWaalsContact O-N 3.08Å; H101-K103 PolarHBondContact O-N 2.75Å; H101-K103 VanDerWaalsContact O-N 3.13Å; K103-Q109 PolarHBondContact O-NE2 3.25Å
104S86.1Confident83.6Confident79 Ų7982.3 Ų82.355%0.55239%0.385SS*.THydrogen-bonded Turntrans-116.9-6.9177.358.20000113.2H101 Y102 K106H101-S104 CarbonylContact O-C 3.5Å; H101-S104 PolarHBondContact O-N 3.24Å; H101-S104 PolarHBondContact O-OG 3.08Å; Y102-S104 VanDerWaalsContact C-N 3.31Å; Y102-S104 PolarHBondContact O-N 3.41Å; S104-K106 PolarHBondContact O-N 3.42Å
105C86.8Confident81.2Confident8 Ų882.4 Ų82.45%0.05440%0.397CS..  trans-83.4102177.8-174.10000110.1C89 H101 K107 Y108 Q109C89-C105 VanDerWaalsContact SG-SG 3.67Å; H101-C105 WeakPolarHBondContact NE2-CB 3.15Å; H101-C105 WeakPolarHBondContact O-CB 3.4Å; H101-C105 PolarHBondContact O-N 2.79Å; C105-K107 VanDerWaalsContact C-N 3.34Å; C105-K107 PolarHBondContact O-N 3.35Å; C105-Y108 PolarHBondContact O-N 3.1Å; C105-Y108 VanDerWaalsContact O-N 3.09Å; C105-Q109 WeakPolarHBondContact O-CG 3.4Å; C105-Q109 PolarHBondContact O-N 2.83Å
106K85.1Confident78.8Confident164 Ų16488 Ų8871%0.71344%0.437SS*.Hα-helixtrans-51.2-50.9177.6-69-170.2175.8-173.60112.1S104 Y108 Q109 D110S104-K106 PolarHBondContact O-N 3.42Å; K106-Y108 VanDerWaalsContact C-N 3.27Å; K106-Y108 PolarHBondContact O-N 2.92Å; K106-Q109 WeakPolarHBondContact O-CA 3.43Å; K106-Q109 WeakPolarHBondContact O-CB 3.48Å; K106-Q109 PolarHBondContact O-N 2.67Å; K106-D110 PolarHBondContact O-N 3Å; K106-D110 VanDerWaalsContact O-OD2 3.12Å
107K85.1Confident76.5Confident133 Ų13389.9 Ų89.958%0.57845%0.452SS*.Hα-helixtrans-56.1-38.6178.3-63.7-170.1175.4-171.20113.5C88 C89 C105 E111C88-K107 HydrophobicContact CB-CB 3.81Å; C88-K107 WeakPolarHBondContact O-CD 3.49Å; C89-K107 HydrophobicContact CB-CD 4.22Å; C105-K107 VanDerWaalsContact C-N 3.34Å; C105-K107 PolarHBondContact O-N 3.35Å; K107-E111 WeakPolarHBondContact O-CB 3.47Å; K107-E111 PolarHBondContact O-N 3.13Å
108Y82.5Confident74.2Confident32 Ų3290.1 Ų90.113%0.12546%0.463CS..Hα-helixtrans-72.2-36.6176.3-173.8-86.3000112E23 Y102 C105 K106 Y112 G113E23-Y108 PolarHBondContact OE1-OH 3.01Å; E23-Y108 VanDerWaalsContact OE1-OH 3.08Å; Y102-Y108 AromaticContact CD1-CD1 4Å; Y102-Y108 HydrophobicContact CD1-CD1 4Å; Y102-Y108 AromaticContact CD1-CD2 3.4Å; Y102-Y108 HydrophobicContact CD1-CD2 3.4Å; Y102-Y108 VanDerWaalsContact CD1-CD2 3.4Å; Y102-Y108 HydrophobicContact CD1-CE1 4.13Å; Y102-Y108 AromaticContact CD1-CE2 3.53Å; Y102-Y108 HydrophobicContact CD1-CE2 3.53Å; Y102-Y108 AromaticContact CD1-CG 3.64Å; Y102-Y108 HydrophobicContact CD1-CG 3.64Å; Y102-Y108 AromaticContact CD1-CZ 3.89Å; Y102-Y108 HydrophobicContact CD2-CE1 4.01Å; Y102-Y108 AromaticContact CD2-CE2 3.97Å; Y102-Y108 HydrophobicContact CD2-CE2 3.97Å; Y102-Y108 AromaticContact CD2-CZ 3.62Å; Y102-Y108 AromaticContact CE1-CD2 3.66Å; Y102-Y108 HydrophobicContact CE1-CD2 3.66Å; Y102-Y108 AromaticContact CE1-CE2 3.6Å; Y102-Y108 HydrophobicContact CE1-CE2 3.6Å; Y102-Y108 HydrophobicContact CE1-CG 4.35Å; Y102-Y108 HydrophobicContact CE2-CE2 4.03Å; Y102-Y108 AromaticContact CG-CD1 3.83Å; Y102-Y108 HydrophobicContact CG-CD1 3.83Å; Y102-Y108 AromaticContact CG-CD2 3.95Å; Y102-Y108 HydrophobicContact CG-CD2 3.95Å; Y102-Y108 AromaticContact CG-CE1 3.63Å; Y102-Y108 HydrophobicContact CG-CE1 3.63Å; Y102-Y108 AromaticContact CG-CE2 3.75Å; Y102-Y108 HydrophobicContact CG-CE2 3.75Å; Y102-Y108 AromaticContact CG-CG 3.98Å; Y102-Y108 HydrophobicContact CG-CG 3.98Å; Y102-Y108 AromaticContact CG-CZ 3.57Å; Y102-Y108 AromaticContact CZ-CE2 3.85Å; C105-Y108 PolarHBondContact O-N 3.1Å; C105-Y108 VanDerWaalsContact O-N 3.09Å; K106-Y108 VanDerWaalsContact C-N 3.27Å; K106-Y108 PolarHBondContact O-N 2.92Å; Y108-Y112 AromaticContact CD2-CD2 3.83Å; Y108-Y112 HydrophobicContact CD2-CD2 3.83Å; Y108-Y112 AromaticContact CE2-CD2 3.84Å; Y108-Y112 HydrophobicContact CE2-CD2 3.84Å; Y108-Y112 HydrophobicContact CE2-CG 4.23Å; Y108-Y112 HydrophobicContact CG-CD2 4.32Å; Y108-Y112 WeakPolarHBondContact O-CA 3.4Å; Y108-Y112 WeakPolarHBondContact O-CB 3.46Å; Y108-Y112 PolarHBondContact O-N 2.98Å; Y108-G113 PolarHBondContact O-N 3.08Å
109Q83.2Confident71.6Confident81 Ų8194.5 Ų94.538%0.37949%0.491SS..Hα-helixtrans-68.7-39.3177.4-72168.646.500112.2K103 C105 K106 E111 G113K103-Q109 PolarHBondContact O-NE2 3.25Å; C105-Q109 WeakPolarHBondContact O-CG 3.4Å; C105-Q109 PolarHBondContact O-N 2.83Å; K106-Q109 WeakPolarHBondContact O-CA 3.43Å; K106-Q109 WeakPolarHBondContact O-CB 3.48Å; K106-Q109 PolarHBondContact O-N 2.67Å; Q109-E111 VanDerWaalsContact C-N 3.28Å; Q109-E111 PolarHBondContact O-N 3.33Å; Q109-G113 WeakPolarHBondContact O-CA 3.37Å; Q109-G113 PolarHBondContact O-N 3.03Å
110D81.1Confident69.1Low135 Ų13598.1 Ų98.172%0.72252%0.516SS*.Hα-helixtrans-65.8-35.7179.2-58.8-28.8000110.9K106K106-D110 PolarHBondContact O-N 3Å; K106-D110 VanDerWaalsContact O-OD2 3.12Å
111E80.2Confident66.4Low108 Ų108100.2 Ų100.251%0.50552%0.523SS..Hα-helixtrans-88.9-43.1-177.6-165-177.2163.500113.3C88 K107 Q109C88-E111 PolarHBondContact SG-OE2 3.15Å; K107-E111 WeakPolarHBondContact O-CB 3.47Å; K107-E111 PolarHBondContact O-N 3.13Å; Q109-E111 VanDerWaalsContact C-N 3.28Å; Q109-E111 PolarHBondContact O-N 3.33Å
112Y76.2Confident64Low120 Ų120107.1 Ų107.147%0.47156%0.555SS.*Hα-helixtrans-121.6-5.9-171.3-59.9-80.2000114.4Y108Y108-Y112 AromaticContact CD2-CD2 3.83Å; Y108-Y112 HydrophobicContact CD2-CD2 3.83Å; Y108-Y112 AromaticContact CE2-CD2 3.84Å; Y108-Y112 HydrophobicContact CE2-CD2 3.84Å; Y108-Y112 HydrophobicContact CE2-CG 4.23Å; Y108-Y112 HydrophobicContact CG-CD2 4.32Å; Y108-Y112 WeakPolarHBondContact O-CA 3.4Å; Y108-Y112 WeakPolarHBondContact O-CB 3.46Å; Y108-Y112 PolarHBondContact O-N 2.98Å
113G68.2Low61.5Low21 Ų21113.1 Ų113.122%0.21659%0.587CS.*PPolyproline II helixtrans-66.8135.117900000112.2Y108 Q109 R205Y108-G113 PolarHBondContact O-N 3.08Å; Q109-G113 WeakPolarHBondContact O-CA 3.37Å; Q109-G113 PolarHBondContact O-N 3.03Å; G113-R205 PolarHBondContact O-NH2 3.49Å
114V51.8Low59.2Low122 Ų122110.1 Ų110.174%0.73959%0.586SS**PPolyproline II helixtrans-92.3118.4158.2-175.20000105.8S116V114-S116 PolarHBondContact O-N 3.41Å; V114-S116 VanDerWaalsContact O-N 3.1Å
115S40.8Very low57Low96 Ų96114.3 Ų114.367%0.67160%0.597SS**PPolyproline II helixtrans-52.1119.8179.9-62.10000109.5I117S115-I117 PolarHBondContact O-N 3.39Å
116S39.9Very low54.4Low120 Ų120121.4 Ų121.484%0.83963%0.634SS**  trans-80.249178.2-54.10000110.7V114 I118V114-S116 PolarHBondContact O-N 3.41Å; V114-S116 VanDerWaalsContact O-N 3.1Å; S116-I118 PolarHBondContact O-N 3.14Å
117I40Very low52.3Low139 Ų139118.6 Ų118.671%0.71364%0.635SS**  trans-84.399.8168.7-58.7171.9000105.2S115 P119S115-I117 PolarHBondContact O-N 3.39Å; I117-P119 VanDerWaalsContact O-CD 3.32Å; I117-P119 WeakPolarHBondContact O-CD 3.41Å
118I41.5Very low49.8Very low153 Ų153119.2 Ų119.279%0.78565%0.65SS**  trans-79.1111.4160.8-57.9170.5000104.5S116 N120S116-I118 PolarHBondContact O-N 3.14Å; I118-N120 PolarHBondContact O-N 3.17Å; I118-N120 VanDerWaalsContact O-N 3.15Å
119P36.2Very low47.4Very low92 Ų92121.1 Ų121.160%0.59768%0.679SS**  trans-63.9120.6169.2-14.229.7000107.2I117 F121I117-P119 VanDerWaalsContact O-CD 3.32Å; I117-P119 WeakPolarHBondContact O-CD 3.41Å; P119-F121 PolarHBondContact O-N 2.85Å
120N35Very low44.9Very low137 Ų137124 Ų12473%0.73370%0.697SS**  trans-65.495.2174.3-164.528.3000107.9I118 Q122I118-N120 PolarHBondContact O-N 3.17Å; I118-N120 VanDerWaalsContact O-N 3.15Å; N120-Q122 PolarHBondContact O-N 2.92Å
121F33.4Very low42.6Very low175 Ų175123.4 Ų123.477%0.76870%0.703SS**  trans-72.896.4172.1-103.3-90.4000108.3P119 I123P119-F121 PolarHBondContact O-N 2.85Å; F121-I123 PolarHBondContact O-N 3.08Å
122Q37.1Very low40.4Very low163 Ų163125 Ų12576%0.76272%0.715SS**  trans-77.2102.7161.4-75.4-177.6-800107.6N120 S124N120-Q122 PolarHBondContact O-N 2.92Å; Q122-S124 PolarHBondContact O-N 2.92Å
123I36.4Very low38.4Very low136 Ų136129.8 Ų129.870%0.69773%0.733SS**  trans-78.197.7167.4-62.2167.3000106.1F121 Q125F121-I123 PolarHBondContact O-N 3.08Å; I123-Q125 HydrophobicContact CG2-CG 4.16Å; I123-Q125 PolarHBondContact O-N 3.4Å
124S37.1Very low36.9Very low99 Ų99132.9 Ų132.969%0.69275%0.751SS**  trans-74.910616145.70000107.9Q122 D126Q122-S124 PolarHBondContact O-N 2.92Å; S124-D126 PolarHBondContact O-N 3.39Å
125Q38.9Very low35.8Very low167 Ų167135.5 Ų135.578%0.7876%0.755SS**  trans-78.1100.4165.3-73-177.7-14.600108I123I123-Q125 HydrophobicContact CG2-CG 4.16Å; I123-Q125 PolarHBondContact O-N 3.4Å
126D31.7Very low35.1Very low156 Ų156136.4 Ų136.483%0.83476%0.757SS**  trans-88.1115.2161.8-73.4-30.8000109S124S124-D126 PolarHBondContact O-N 3.39Å
127S41.1Very low34.6Very low105 Ų105135.1 Ų135.173%0.73475%0.748SS**  trans-86.8118.7172.8-59.40000109.5
128V33.2Very low33.9Very low147 Ų147134.6 Ų134.689%0.89175%0.752SS**  trans-160.1123.4151.4-165.30000105
129G32.6Very low33.5Very low71 Ų71132.8 Ų132.873%0.73275%0.753SS**  cis118.3104.343.300000106.2
130N31.1Very low33Very low142 Ų142135.4 Ų135.476%0.75976%0.762SS**  trans-63.4134.5176.4178.626.1000111.2
131S32.8Very low32.8Very low122 Ų122136.2 Ų136.285%0.85377%0.766SS**  trans-161.5141.3149.4-82.90000112.1
132N34.1Very low32.5Very low141 Ų141133.7 Ų133.775%0.75477%0.765SS**  trans-87.4159.9-173.6-78.2-44.4000114.3
133R34.5Very low32.1Very low221 Ų221133.8 Ų133.883%0.83477%0.765SS**  trans84.6116.2143.6-88.6-173160.2-98.91.8122.1
134S34.9Very low31.6Very low87 Ų87133.4 Ų133.461%0.60877%0.769SS**  65.3137.5122.5-45.40000118.1
135E29.7Very low31.1Very low176 Ų176138.1 Ų138.182%0.82277%0.773SS**  cis-164.8151.628.8-81.7-153139.400112.7
136T25.4Very low30.6Very low115 Ų115139.3 Ų139.371%0.70678%0.779SS**  trans69.6129.5136.9-44.50000124.6
137S29.6Very low30.7Very low93 Ų93140 Ų14065%0.6578%0.777SS**  trans100.8107.2138.910.60000122.4
138T25.6Very low30.1Very low129 Ų129142.3 Ų142.379%0.79178%0.781SS**  trans50.7119.6130.648.50000120.3
139S32.5Very low29.9Very low115 Ų115141.8 Ų141.880%0.80478%0.778SS**  -177.9150.499.1-690000111.2
140D26.2Very low30.3Very low147 Ų147144.5 Ų144.579%0.78679%0.787SS**  trans-44.5147.3-176.4-61.7-69.5000117
141N30.6Very low30.7Very low153 Ų153142.6 Ų142.682%0.81878%0.784SS**  -168102.2124.5-91.8-43.5000111.2
142T28.4Very low31.2Very low122 Ų122141.6 Ų141.675%0.74878%0.777SS**  trans35.4102.9133.931.80000118.8
143E28.1Very low32.2Very low165 Ų165139 Ų13977%0.77178%0.784SS**  trans-51.5139.7156.3-61.2175.292.600112.4Y145E143-Y145 HydrophobicContact CB-CD2 4.48Å
144T25Very low33.5Very low128 Ų128134.4 Ų134.479%0.78577%0.772SS**  trans-14270.3150.7-30.10000107.7Q146T144-Q146 PolarHBondContact O-N 3.09Å
145Y26.6Very low35.4Very low198 Ų198134.1 Ų134.178%0.77677%0.768SS**  trans-69.4111.4160.3-79.7-83.8000107.5E143 E147E143-Y145 HydrophobicContact CB-CD2 4.48Å; Y145-E147 VanDerWaalsContact C-N 3.27Å; Y145-E147 PolarHBondContact O-N 2.82Å; Y145-E147 VanDerWaalsContact O-N 3.09Å
146Q28.9Very low38.2Very low192 Ų192130 Ų13090%0.89776%0.755SS**  trans-78.484.5165.2-83.4179-31.500108.6T144T144-Q146 PolarHBondContact O-N 3.09Å
147E34.6Very low41.2Very low172 Ų172125.2 Ų125.280%0.80472%0.724SS**  trans-73.2127.1148.6-83.4-177.1107.300108.6Y145Y145-E147 VanDerWaalsContact C-N 3.27Å; Y145-E147 PolarHBondContact O-N 2.82Å; Y145-E147 VanDerWaalsContact O-N 3.09Å
148N28.1Very low44.1Very low152 Ų152127.1 Ų127.181%0.81372%0.721SS**  trans-174.7103.5142.5-98.3-15.8000110.4
149T28.2Very low47.1Very low136 Ų136121 Ų12183%0.83468%0.683SS**  170.8134.196.140.90000110.4
150S42.5Very low49.8Very low129 Ų129117 Ų11790%0.90265%0.654SS**  trans-77.2118-168.9-400000112.8
151S38Very low52.6Low101 Ų101111.4 Ų111.471%0.70663%0.625SS**SBendtrans-163.6105.6143.364.60000108.1
152S43.9Very low55.4Low102 Ų102106.4 Ų106.471%0.71360%0.601SS**  trans35.887.2172.754.20000114.5H154S152-H154 PolarHBondContact O-N 3.45Å
153G54.4Low58.1Low87 Ų87107.1 Ų107.190%0.89760%0.596SS**  trans-63.231.3-16700000118.3
154H61.6Low60.7Low124 Ų124104.2 Ų104.257%0.57458%0.582SS**PPolyproline II helixtrans-81.6133.7172.3-65.4-76.8000110.5S152 T156S152-H154 PolarHBondContact O-N 3.45Å; H154-T156 PolarHBondContact O-N 3.28Å
155P75.9Confident63.7Low80 Ų80100.6 Ų100.652%0.51956%0.562SS.*PPolyproline II helixtrans-60.2132.2175.624.5-32.8000110.4F157P155-F157 HydrophobicContact CB-CE1 4.41Å; P155-F157 HydrophobicContact CB-CE2 4.23Å; P155-F157 HydrophobicContact CB-CZ 3.84Å; P155-F157 HydrophobicContact CG-CE2 4.07Å; P155-F157 HydrophobicContact CG-CZ 3.77Å; P155-F157 VanDerWaalsContact O-CE2 3.24Å; P155-F157 WeakPolarHBondContact O-CE2 3.24Å
156T87.3Confident66.6Low91 Ų9197.1 Ų97.156%0.55856%0.557SS**PPolyproline II helixtrans-95.1137.3175.458.90000110.9H154 F167H154-T156 PolarHBondContact O-N 3.28Å; T156-F167 CarbonylContact C-O 3.55Å; T156-F167 WeakPolarHBondContact CA-O 3.46Å
157F89.6Confident69.2Low14 Ų1489.5 Ų89.56%0.06152%0.521CS..BIsolated β-bridgetrans-116.2157.4-177.3-55.4-77.1000111.6P155 N166 F167 R169 L172 P190 I191P155-F157 HydrophobicContact CB-CE1 4.41Å; P155-F157 HydrophobicContact CB-CE2 4.23Å; P155-F157 HydrophobicContact CB-CZ 3.84Å; P155-F157 HydrophobicContact CG-CE2 4.07Å; P155-F157 HydrophobicContact CG-CZ 3.77Å; P155-F157 VanDerWaalsContact O-CE2 3.24Å; P155-F157 WeakPolarHBondContact O-CE2 3.24Å; F157-N166 PolarHBondContact O-N 3.48Å; F157-F167 PolarHBondContact N-O 3.15Å; F157-F167 PolarHBondContact O-N 3.3Å; F157-F167 VanDerWaalsContact O-N 3.12Å; F157-R169 HydrophobicContact CE2-CB 4.05Å; F157-L172 HydrophobicContact CB-CD2 3.74Å; F157-L172 HydrophobicContact CG-CD2 4.44Å; F157-P190 HydrophobicContact CB-CG 4.38Å; F157-P190 HydrophobicContact CD1-CB 4.13Å; F157-I191 HydrophobicContact CD1-CG1 3.87Å; F157-I191 HydrophobicContact CD2-CG1 3.99Å; F157-I191 HydrophobicContact CE1-CB 4.17Å; F157-I191 HydrophobicContact CE1-CG1 3.85Å; F157-I191 HydrophobicContact CE1-CG2 4.48Å; F157-I191 HydrophobicContact CE2-CG1 3.97Å; F157-I191 HydrophobicContact CG-CG1 3.94Å; F157-I191 HydrophobicContact CZ-CB 4.31Å; F157-I191 HydrophobicContact CZ-CG1 3.89Å; F157-I191 HydrophobicContact CZ-CG2 4.2Å
158K89.6Confident71.6Confident133 Ų13384.1 Ų84.158%0.57850%0.5SS*.  trans-106.7139.3172.3-57-169.3178-179.70109.7P160 E164K158-P160 WeakPolarHBondContact O-CD 3.48Å; K158-E164 CarbonylContact C-O 3.54Å; K158-E164 WeakPolarHBondContact CA-O 3.38Å
159C90Very high74.2Confident0 Ų079.3 Ų79.30%047%0.47CS..  trans-72.5117.4175-178.50000109.6L161 C162 Q163 E164 F167 L172C159-L161 PolarHBondContact O-N 3.01Å; C159-C162 VanDerWaalsContact CB-SG 3.52Å; C159-C162 PolarHBondContact SG-SG 3.09Å; C159-Q163 WeakPolarHBondContact O-CA 3.44Å; C159-Q163 PolarHBondContact O-N 3.31Å; C159-E164 PolarHBondContact N-O 2.87Å; C159-F167 HydrophobicContact CB-CD2 4.47Å; C159-F167 HydrophobicContact CB-CE2 4.15Å; C159-L172 HydrophobicContact CB-CD1 3.75Å
160P87.4Confident76.8Confident30 Ų3077.1 Ų77.120%0.19545%0.45CS..THydrogen-bonded Turntrans-71.8-7.7-178.730.9-36.5000113.6K158 V187 F207K158-P160 WeakPolarHBondContact O-CD 3.48Å; P160-V187 HydrophobicContact CB-CB 3.81Å; P160-V187 HydrophobicContact CB-CG1 3.96Å; P160-V187 HydrophobicContact CB-CG2 4.08Å; P160-V187 HydrophobicContact CG-CB 4.02Å; P160-V187 HydrophobicContact CG-CG1 4.4Å; P160-V187 HydrophobicContact CG-CG2 3.7Å; P160-F207 HydrophobicContact CG-CD1 3.76Å; P160-F207 HydrophobicContact CG-CD2 4.16Å; P160-F207 HydrophobicContact CG-CE1 3.55Å; P160-F207 HydrophobicContact CG-CE2 4.01Å; P160-F207 HydrophobicContact CG-CG 4.06Å; P160-F207 HydrophobicContact CG-CZ 3.69Å
161L85.5Confident78.8Confident31 Ų3178.4 Ų78.416%0.16244%0.436CS..THydrogen-bonded Turntrans-93.9-37.9-178.5-58178.7000113C159 H180 Q183 V185 V187 F207 V208C159-L161 PolarHBondContact O-N 3.01Å; L161-H180 HydrophobicContact CD1-CB 3.48Å; L161-H180 VanDerWaalsContact CD1-CB 3.48Å; L161-Q183 HydrophobicContact CD1-CB 4.3Å; L161-V185 HydrophobicContact CD2-CB 3.86Å; L161-V185 HydrophobicContact CD2-CG2 4.4Å; L161-V187 HydrophobicContact CD2-CG1 4.03Å; L161-V187 HydrophobicContact CD2-CG2 4.46Å; L161-F207 HydrophobicContact CD1-CB 4.33Å; L161-F207 HydrophobicContact CD1-CD1 4.05Å; L161-F207 HydrophobicContact CG-CD1 4.19Å; L161-V208 HydrophobicContact CD1-CG2 4.44Å
162C89.1Confident81.3Confident47 Ų4773.6 Ų73.632%0.31840%0.402SS..THydrogen-bonded Turntrans-122.2-4.7-178.365.10000114.1C159 E164 H175 H180C159-C162 VanDerWaalsContact CB-SG 3.52Å; C159-C162 PolarHBondContact SG-SG 3.09Å; C162-E164 PolarHBondContact O-N 3.08Å; C162-H175 PolarHBondContact SG-NE2 3.32Å; C162-H180 PolarHBondContact SG-NE2 3.41Å; C162-H180 VanDerWaalsContact SG-NE2 3.42Å
163Q86.2Confident83.4Confident137 Ų13769.7 Ų69.764%0.6437%0.373SS*.  trans65.67.3-178.7-52.9-64.8-10.100115.8C159C159-Q163 WeakPolarHBondContact O-CA 3.44Å; C159-Q163 PolarHBondContact O-N 3.31Å
164E83.3Confident84.9Confident104 Ų10468.5 Ų68.549%0.48635%0.346SS..  trans-60.9141169.5-69.9-175.9-178.800110.8K158 C159 C162 F167 H175K158-E164 CarbonylContact C-O 3.54Å; K158-E164 WeakPolarHBondContact CA-O 3.38Å; C159-E164 PolarHBondContact N-O 2.87Å; C162-E164 PolarHBondContact O-N 3.08Å; E164-F167 HydrophobicContact CB-CE2 3.5Å; E164-F167 HydrophobicContact CB-CZ 3.75Å; E164-F167 WeakPolarHBondContact O-CE2 3.32Å; E164-H175 IonicContact OE2-CE1 3.35Å; E164-H175 PolarHBondContact OE2-CE1 3.22Å; E164-H175 IonicContact OE2-ND1 3.21Å; E164-H175 PolarHBondContact OE2-ND1 2.69Å
165S88.1Confident86.3Confident53 Ų5363.5 Ų63.537%0.37132%0.323SS..  trans-121.7176.5-170.863.60000113.1
166N85.6Confident86.9Confident124 Ų12459.7 Ų59.766%0.66330%0.298SS*.  trans69.729.7177.5-49.4-52.3000114F157F157-N166 PolarHBondContact O-N 3.48Å
167F84Confident86.9Confident32 Ų3257.3 Ų57.314%0.1428%0.282CS..BIsolated β-bridgetrans-87.4132.7173.3-63.3-64.2000111T156 F157 C159 E164 R171 L172 H175T156-F167 CarbonylContact C-O 3.55Å; T156-F167 WeakPolarHBondContact CA-O 3.46Å; F157-F167 PolarHBondContact N-O 3.15Å; F157-F167 PolarHBondContact O-N 3.3Å; F157-F167 VanDerWaalsContact O-N 3.12Å; C159-F167 HydrophobicContact CB-CD2 4.47Å; C159-F167 HydrophobicContact CB-CE2 4.15Å; E164-F167 HydrophobicContact CB-CE2 3.5Å; E164-F167 HydrophobicContact CB-CZ 3.75Å; E164-F167 WeakPolarHBondContact O-CE2 3.32Å; F167-R171 HydrophobicContact CB-CB 4.39Å; F167-R171 HydrophobicContact CD1-CB 4.08Å; F167-L172 HydrophobicContact CB-CB 3.76Å; F167-L172 HydrophobicContact CB-CD1 4.42Å; F167-L172 HydrophobicContact CD2-CD1 3.94Å; F167-L172 HydrophobicContact CG-CB 4.4Å; F167-L172 HydrophobicContact CG-CD1 4.39Å; F167-H175 HydrophobicContact CE1-CB 4.13Å; F167-H175 HydrophobicContact CZ-CB 4.24Å; F167-H175 AromaticContact CZ-CG 3.79Å; F167-H175 AromaticContact CZ-ND1 3.65Å
168T85.2Confident86.7Confident59 Ų5961 Ų6136%0.36231%0.31SS..  trans-65.3163.6157.564.10000109.3Q170 R171 L172T168-Q170 VanDerWaalsContact C-N 3.29Å; T168-Q170 PolarHBondContact O-N 2.95Å; T168-R171 PolarHBondContact O-N 3.35Å; T168-R171 VanDerWaalsContact O-N 3.17Å; T168-R171 WeakPolarHBondContact OG1-CB 3.36Å; T168-R171 WeakPolarHBondContact OG1-CG 3.3Å; T168-R171 PolarHBondContact OG1-N 2.86Å; T168-L172 WeakPolarHBondContact O-CB 2.91Å; T168-L172 PolarHBondContact O-N 2.89Å
169R82.9Confident86.4Confident51 Ų5159.3 Ų59.319%0.19231%0.307CS..Hα-helixtrans-48.6-50.5176.3177.8-178.8179.2131.3-25.2112.4F157 L172 L173 I191 R214 H215 F217F157-R169 HydrophobicContact CE2-CB 4.05Å; R169-L172 PolarHBondContact O-N 3.03Å; R169-L173 PolarHBondContact O-N 3.29Å; R169-I191 HydrophobicContact CG-CD1 3.99Å; R169-I191 VanDerWaalsContact NH1-CG2 3.34Å; R169-R214 PolarHBondContact NH2-O 2.72Å; R169-H215 PolarHBondContact NE-O 3.43Å; R169-H215 VanDerWaalsContact NE-O 3.11Å; R169-H215 PolarHBondContact NH1-ND1 3.06Å; R169-H215 VanDerWaalsContact NH2-CA 3.33Å; R169-H215 PolarHBondContact NH2-ND1 2.91Å; R169-F217 PolarHBondContact NH2-O 3.36Å
170Q83.3Confident86.3Confident90 Ų9060 Ų6042%0.42131%0.31SS..Hα-helixtrans-61.6-47.8179.4-155106.9-18.600111.7T168 L172 L173 D174T168-Q170 VanDerWaalsContact C-N 3.29Å; T168-Q170 PolarHBondContact O-N 2.95Å; Q170-L172 VanDerWaalsContact C-N 3.29Å; Q170-L172 PolarHBondContact O-N 3.29Å; Q170-L173 WeakPolarHBondContact O-CB 3.32Å; Q170-L173 PolarHBondContact O-N 3.18Å; Q170-L173 VanDerWaalsContact O-N 3.12Å; Q170-D174 PolarHBondContact O-N 3.09Å
171R85Confident85.8Confident156 Ų15662.9 Ų62.959%0.58932%0.324SS*.Hα-helixtrans-66.5-32-178-74.4-70.5121.9119.62.8112.5F167 T168 D174 H175F167-R171 HydrophobicContact CB-CB 4.39Å; F167-R171 HydrophobicContact CD1-CB 4.08Å; T168-R171 PolarHBondContact O-N 3.35Å; T168-R171 VanDerWaalsContact O-N 3.17Å; T168-R171 WeakPolarHBondContact OG1-CB 3.36Å; T168-R171 WeakPolarHBondContact OG1-CG 3.3Å; T168-R171 PolarHBondContact OG1-N 2.86Å; R171-D174 IonicContact CZ-OD2 3.44Å; R171-D174 IonicContact NE-OD2 3.02Å; R171-D174 PolarHBondContact NE-OD2 3.2Å; R171-D174 IonicContact NH2-OD2 3.95Å; R171-H175 WeakPolarHBondContact O-CB 3.23Å; R171-H175 PolarHBondContact O-N 3.31Å
172L88.4Confident85.3Confident0 Ų070.6 Ų70.60%036%0.356CS..Hα-helixtrans-65.8-42.1173.6-178.258.8000110.9F157 C159 F167 T168 R169 Q170 C176 P190 I191 F207 L211F157-L172 HydrophobicContact CB-CD2 3.74Å; F157-L172 HydrophobicContact CG-CD2 4.44Å; C159-L172 HydrophobicContact CB-CD1 3.75Å; F167-L172 HydrophobicContact CB-CB 3.76Å; F167-L172 HydrophobicContact CB-CD1 4.42Å; F167-L172 HydrophobicContact CD2-CD1 3.94Å; F167-L172 HydrophobicContact CG-CB 4.4Å; F167-L172 HydrophobicContact CG-CD1 4.39Å; T168-L172 WeakPolarHBondContact O-CB 2.91Å; T168-L172 PolarHBondContact O-N 2.89Å; R169-L172 PolarHBondContact O-N 3.03Å; Q170-L172 VanDerWaalsContact C-N 3.29Å; Q170-L172 PolarHBondContact O-N 3.29Å; L172-C176 VanDerWaalsContact O-CB 3.29Å; L172-C176 WeakPolarHBondContact O-CB 3.49Å; L172-C176 PolarHBondContact O-N 3.38Å; L172-C176 PolarHBondContact O-SG 2.99Å; L172-P190 HydrophobicContact CD2-CG 4.13Å; L172-I191 HydrophobicContact CD2-CD1 4.16Å; L172-I191 HydrophobicContact CD2-CG1 4.42Å; L172-F207 HydrophobicContact CD2-CZ 4.1Å; L172-L211 HydrophobicContact CG-CD1 4.29Å
173L88.3Confident84.6Confident20 Ų2072 Ų7211%0.10536%0.358CS..Hα-helixtrans-62.6-48.7175.9-174.3150.3000111.4R169 Q170 H175 C176 N177 L211 Q216R169-L173 PolarHBondContact O-N 3.29Å; Q170-L173 WeakPolarHBondContact O-CB 3.32Å; Q170-L173 PolarHBondContact O-N 3.18Å; Q170-L173 VanDerWaalsContact O-N 3.12Å; L173-H175 PolarHBondContact O-N 3.12Å; L173-C176 PolarHBondContact O-N 3.5Å; L173-N177 WeakPolarHBondContact CD2-ND2 3.48Å; L173-N177 WeakPolarHBondContact O-CB 3.3Å; L173-N177 PolarHBondContact O-N 3.47Å; L173-N177 PolarHBondContact O-ND2 3.12Å; L173-L211 HydrophobicContact CD1-CB 4.29Å; L173-L211 HydrophobicContact CG-CB 4.4Å; L173-Q216 HydrophobicContact CD1-CB 4.32Å
174D86.2Confident84.1Confident62 Ų6271.3 Ų71.333%0.33236%0.357SS..Hα-helixtrans-59.6-46.4177.5-65.4-24.9000111.9Q170 R171 N177 S178Q170-D174 PolarHBondContact O-N 3.09Å; R171-D174 IonicContact CZ-OD2 3.44Å; R171-D174 IonicContact NE-OD2 3.02Å; R171-D174 PolarHBondContact NE-OD2 3.2Å; R171-D174 IonicContact NH2-OD2 3.95Å; D174-N177 PolarHBondContact O-N 3.06Å; D174-S178 WeakPolarHBondContact O-CB 2.96Å; D174-S178 PolarHBondContact O-N 3.32Å; D174-S178 PolarHBondContact O-OG 3.43Å
175H91.7Very high83.8Confident20 Ų2069.6 Ų69.69%0.09335%0.354CS..Hα-helixtrans-60.1-48.3177.716688.7000111.3C162 E164 F167 R171 L173 N177 S178 N179 H180C162-H175 PolarHBondContact SG-NE2 3.32Å; E164-H175 IonicContact OE2-CE1 3.35Å; E164-H175 PolarHBondContact OE2-CE1 3.22Å; E164-H175 IonicContact OE2-ND1 3.21Å; E164-H175 PolarHBondContact OE2-ND1 2.69Å; F167-H175 HydrophobicContact CE1-CB 4.13Å; F167-H175 HydrophobicContact CZ-CB 4.24Å; F167-H175 AromaticContact CZ-CG 3.79Å; F167-H175 AromaticContact CZ-ND1 3.65Å; R171-H175 WeakPolarHBondContact O-CB 3.23Å; R171-H175 PolarHBondContact O-N 3.31Å; L173-H175 PolarHBondContact O-N 3.12Å; H175-N177 PolarHBondContact O-N 2.97Å; H175-S178 PolarHBondContact O-N 3.38Å; H175-N179 PolarHBondContact ND1-ND2 3.3Å; H175-N179 WeakPolarHBondContact O-CB 3.48Å; H175-N179 PolarHBondContact O-N 2.8Å; H175-N179 PolarHBondContact O-ND2 2.82Å; H175-H180 AromaticContact CD2-CD2 3.95Å; H175-H180 AromaticContact CE1-NE2 3.95Å; H175-H180 AromaticContact NE2-CD2 3.53Å; H175-H180 AromaticContact NE2-NE2 3.19Å; H175-H180 PolarHBondContact NE2-NE2 2.99Å; H175-H180 VanDerWaalsContact NE2-NE2 3.19Å
176C89.1Confident83.4Confident0 Ų071.1 Ų71.10%036%0.363CS..Hα-helixtrans-65.7-37.8179.7-74.70000112.5L172 L173 S178 H180 L181 F207 V208 L211L172-C176 VanDerWaalsContact O-CB 3.29Å; L172-C176 WeakPolarHBondContact O-CB 3.49Å; L172-C176 PolarHBondContact O-N 3.38Å; L172-C176 PolarHBondContact O-SG 2.99Å; L173-C176 PolarHBondContact O-N 3.5Å; C176-S178 VanDerWaalsContact C-N 3.28Å; C176-S178 PolarHBondContact O-N 3.48Å; C176-H180 CarbonylContact O-C 3.47Å; C176-H180 WeakPolarHBondContact O-CA 3.4Å; C176-H180 WeakPolarHBondContact O-CB 3.42Å; C176-H180 PolarHBondContact O-N 3.42Å; C176-L181 PolarHBondContact O-N 3.47Å; C176-F207 VanDerWaalsContact SG-CE1 3.53Å; C176-V208 HydrophobicContact CB-CG2 4.1Å; C176-L211 HydrophobicContact CB-CD1 3.92Å
177N86.8Confident83.6Confident41 Ų4166.1 Ų66.122%0.21934%0.336CS..Hα-helixtrans-69.6-21.6174.4-80.2-36.8000113.5L173 D174 H175 L181 V208 N212L173-N177 WeakPolarHBondContact CD2-ND2 3.48Å; L173-N177 WeakPolarHBondContact O-CB 3.3Å; L173-N177 PolarHBondContact O-N 3.47Å; L173-N177 PolarHBondContact O-ND2 3.12Å; D174-N177 PolarHBondContact O-N 3.06Å; H175-N177 PolarHBondContact O-N 2.97Å; N177-L181 WeakPolarHBondContact O-CD1 3.37Å; N177-L181 WeakPolarHBondContact O-CD2 3.45Å; N177-L181 WeakPolarHBondContact O-CG 3.28Å; N177-V208 WeakPolarHBondContact OD1-CG1 3.18Å; N177-N212 PolarHBondContact ND2-OD1 3.48Å; N177-N212 PolarHBondContact OD1-ND2 2.89Å
178S86.1Confident83.8Confident92 Ų9267.1 Ų67.164%0.64335%0.345SS*.Hα-helixtrans-93.2-37179.4-560000112.2D174 H175 C176D174-S178 WeakPolarHBondContact O-CB 2.96Å; D174-S178 PolarHBondContact O-N 3.32Å; D174-S178 PolarHBondContact O-OG 3.43Å; H175-S178 PolarHBondContact O-N 3.38Å; C176-S178 VanDerWaalsContact C-N 3.28Å; C176-S178 PolarHBondContact O-N 3.48Å
179N83.5Confident84Confident97 Ų9764.3 Ų64.352%0.51933%0.328SS..Hα-helixtrans-110.1-16.6-168.1-59.4-65.3000114H175H175-N179 PolarHBondContact ND1-ND2 3.3Å; H175-N179 WeakPolarHBondContact O-CB 3.48Å; H175-N179 PolarHBondContact O-N 2.8Å; H175-N179 PolarHBondContact O-ND2 2.82Å
180H86.8Confident84.3Confident14 Ų1463.4 Ų63.47%0.06533%0.329CS..  trans-133.415.7-167.2-58.6-51.1000115.6L161 C162 H175 C176 F182 Q183 V208L161-H180 HydrophobicContact CD1-CB 3.48Å; L161-H180 VanDerWaalsContact CD1-CB 3.48Å; C162-H180 PolarHBondContact SG-NE2 3.41Å; C162-H180 VanDerWaalsContact SG-NE2 3.42Å; H175-H180 AromaticContact CD2-CD2 3.95Å; H175-H180 AromaticContact CE1-NE2 3.95Å; H175-H180 AromaticContact NE2-CD2 3.53Å; H175-H180 AromaticContact NE2-NE2 3.19Å; H175-H180 PolarHBondContact NE2-NE2 2.99Å; H175-H180 VanDerWaalsContact NE2-NE2 3.19Å; C176-H180 CarbonylContact O-C 3.47Å; C176-H180 WeakPolarHBondContact O-CA 3.4Å; C176-H180 WeakPolarHBondContact O-CB 3.42Å; C176-H180 PolarHBondContact O-N 3.42Å; H180-F182 PolarHBondContact O-N 2.86Å; H180-Q183 HydrophobicContact CB-CB 4.35Å; H180-Q183 HydrophobicContact CB-CG 4.38Å; H180-Q183 PolarHBondContact ND1-NE2 3.49Å; H180-Q183 PolarHBondContact ND1-OE1 3.29Å; H180-Q183 PolarHBondContact O-N 2.93Å; H180-V208 HydrophobicContact CB-CG2 4.04Å; H180-V208 WeakPolarHBondContact O-CG2 3.26Å
181L76.1Confident84.5Confident91 Ų9159.4 Ų59.448%0.47631%0.31SS..THydrogen-bonded Turntrans-48.5-34.8-176.3-75.9164.1000115.2C176 N177 V208C176-L181 PolarHBondContact O-N 3.47Å; N177-L181 WeakPolarHBondContact O-CD1 3.37Å; N177-L181 WeakPolarHBondContact O-CD2 3.45Å; N177-L181 WeakPolarHBondContact O-CG 3.28Å; L181-V208 HydrophobicContact CD2-CG1 4.4Å
182F75.3Confident84.6Confident193 Ų19353.3 Ų53.385%0.84629%0.291SS*.THydrogen-bonded Turntrans-1053.6-175.5-53.9-68.4000113.6H180 I184H180-F182 PolarHBondContact O-N 2.86Å; F182-I184 PolarHBondContact O-N 3.38Å
183Q75.3Confident84.5Confident75 Ų7556 Ų5635%0.3531%0.308SS..  trans-86.5106.2-179.3-63.4-16916.800110.5L161 H180 V185L161-Q183 HydrophobicContact CD1-CB 4.3Å; H180-Q183 HydrophobicContact CB-CB 4.35Å; H180-Q183 HydrophobicContact CB-CG 4.38Å; H180-Q183 PolarHBondContact ND1-NE2 3.49Å; H180-Q183 PolarHBondContact ND1-OE1 3.29Å; H180-Q183 PolarHBondContact O-N 2.93Å; Q183-V185 PolarHBondContact O-N 3.09Å
184I76Confident84.3Confident123 Ų12358.9 Ų58.963%0.63133%0.329SS*.  trans-101.577176.8-52.7177000107.8F182 R205F182-I184 PolarHBondContact O-N 3.38Å; I184-R205 VanDerWaalsContact CG2-O 3.27Å; I184-R205 WeakPolarHBondContact CG2-O 3.46Å
185V76.4Confident84Confident69 Ų6958.9 Ų58.942%0.41833%0.329SS..  trans-112.7127.3177-176.60000108.4L161 Q183 V187L161-V185 HydrophobicContact CD2-CB 3.86Å; L161-V185 HydrophobicContact CD2-CG2 4.4Å; Q183-V185 PolarHBondContact O-N 3.09Å; V185-V187 HydrophobicContact CB-CG1 4.49Å; V185-V187 HydrophobicContact CG1-CG1 4.09Å; V185-V187 PolarHBondContact O-N 3.11Å
186P79.9Confident83Confident85 Ų8563.5 Ų63.555%0.55236%0.361SS*.  trans-66.3117.317626.1-31.8000110.1I203 T204P186-I203 HydrophobicContact CB-CG2 3.59Å; P186-T204 WeakPolarHBondContact CA-O 3.45Å
187V89.1Confident82.3Confident18 Ų1873.2 Ų73.211%0.10940%0.398CS..EExtended strand (participates in β ladder)trans-140.1149.9-179.5-62.50000110.7P160 L161 V185 T204 F207P160-V187 HydrophobicContact CB-CB 3.81Å; P160-V187 HydrophobicContact CB-CG1 3.96Å; P160-V187 HydrophobicContact CB-CG2 4.08Å; P160-V187 HydrophobicContact CG-CB 4.02Å; P160-V187 HydrophobicContact CG-CG1 4.4Å; P160-V187 HydrophobicContact CG-CG2 3.7Å; L161-V187 HydrophobicContact CD2-CG1 4.03Å; L161-V187 HydrophobicContact CD2-CG2 4.46Å; V185-V187 HydrophobicContact CB-CG1 4.49Å; V185-V187 HydrophobicContact CG1-CG1 4.09Å; V185-V187 PolarHBondContact O-N 3.11Å; V187-T204 PolarHBondContact N-O 3.01Å; V187-T204 PolarHBondContact O-N 3.29Å; V187-F207 HydrophobicContact CG2-CB 3.58Å; V187-F207 HydrophobicContact CG2-CD2 3.78Å; V187-F207 HydrophobicContact CG2-CG 3.71Å
188T89.3Confident81.6Confident53 Ų5372.3 Ų72.333%0.32540%0.398SS..EExtended strand (participates in β ladder)trans-76.2131.7169.5-570000109.1P190 V193 P200T188-P190 WeakPolarHBondContact O-CD 3.29Å; T188-V193 HydrophobicContact CG2-CG2 3.34Å; T188-P200 WeakPolarHBondContact CG2-O 3.5Å
189C89.4Confident81Confident1 Ų171.1 Ų71.11%0.00739%0.385CS..  trans-73.7118.2179.2177.50000110I191 C192 V193 F207 H210C189-I191 PolarHBondContact O-N 2.97Å; C189-C192 HydrophobicContact CB-CB 3.96Å; C189-C192 PolarHBondContact O-N 2.82Å; C189-V193 WeakPolarHBondContact O-CG2 3.24Å; C189-V193 PolarHBondContact O-N 3.38Å; C189-F207 HydrophobicContact CB-CD2 4.49Å; C189-F207 HydrophobicContact CB-CE2 4.03Å; C189-H210 WeakPolarHBondContact CB-NE2 3.09Å; C189-H210 PolarHBondContact SG-NE2 3.06Å
190P88.6Confident80.8Confident32 Ų3270.8 Ų70.821%0.20839%0.388CS..Hα-helixtrans-65-29.9-178.227.5-35.3000112F157 L172 T188 S194 F207F157-P190 HydrophobicContact CB-CG 4.38Å; F157-P190 HydrophobicContact CD1-CB 4.13Å; L172-P190 HydrophobicContact CD2-CG 4.13Å; T188-P190 WeakPolarHBondContact O-CD 3.29Å; P190-S194 PolarHBondContact O-N 3.33Å; P190-S194 PolarHBondContact O-OG 2.96Å; P190-F207 HydrophobicContact CG-CZ 4.3Å
191I87.1Confident80.7Confident5 Ų574 Ų743%0.02641%0.412CS..Hα-helixtrans-71-41.4177.7-55.8159.8000111.1F157 R169 L172 C189 S194 L211 H215F157-I191 HydrophobicContact CD1-CG1 3.87Å; F157-I191 HydrophobicContact CD2-CG1 3.99Å; F157-I191 HydrophobicContact CE1-CB 4.17Å; F157-I191 HydrophobicContact CE1-CG1 3.85Å; F157-I191 HydrophobicContact CE1-CG2 4.48Å; F157-I191 HydrophobicContact CE2-CG1 3.97Å; F157-I191 HydrophobicContact CG-CG1 3.94Å; F157-I191 HydrophobicContact CZ-CB 4.31Å; F157-I191 HydrophobicContact CZ-CG1 3.89Å; F157-I191 HydrophobicContact CZ-CG2 4.2Å; R169-I191 HydrophobicContact CG-CD1 3.99Å; R169-I191 VanDerWaalsContact NH1-CG2 3.34Å; L172-I191 HydrophobicContact CD2-CD1 4.16Å; L172-I191 HydrophobicContact CD2-CG1 4.42Å; C189-I191 PolarHBondContact O-N 2.97Å; I191-S194 PolarHBondContact O-N 2.93Å; I191-L211 HydrophobicContact CD1-CD2 3.49Å; I191-L211 VanDerWaalsContact CD1-CD2 3.49Å; I191-H215 HydrophobicContact CD1-CB 4.14Å; I191-H215 VanDerWaalsContact CG2-CE1 3.45Å; I191-H215 WeakPolarHBondContact CG2-CE1 3.48Å; I191-H215 WeakPolarHBondContact CG2-ND1 3.22Å
192C87.3Confident80.9Confident29 Ų2975.3 Ų75.320%0.19642%0.416CS..Hα-helixtrans-63.1-42.4177.1-70.70000112C189 S194 L195 G198 H210 H215C189-C192 HydrophobicContact CB-CB 3.96Å; C189-C192 PolarHBondContact O-N 2.82Å; C192-S194 VanDerWaalsContact C-N 3.26Å; C192-S194 PolarHBondContact O-N 3.03Å; C192-L195 WeakPolarHBondContact O-CB 3.47Å; C192-L195 PolarHBondContact O-N 3.25Å; C192-G198 WeakPolarHBondContact O-CA 3.46Å; C192-H210 PolarHBondContact SG-CE1 3.06Å; C192-H210 PolarHBondContact SG-NE2 2.92Å; C192-H215 PolarHBondContact SG-NE2 3.15Å
193V86.8Confident81.4Confident56 Ų5671.1 Ų71.134%0.33940%0.401SS..Hα-helixtrans-69.6-25.7-178.8177.80000112.2T188 C189 L195 P200T188-V193 HydrophobicContact CG2-CG2 3.34Å; C189-V193 WeakPolarHBondContact O-CG2 3.24Å; C189-V193 PolarHBondContact O-N 3.38Å; V193-L195 PolarHBondContact O-N 3.13Å; V193-P200 HydrophobicContact CG1-CB 4.49Å; V193-P200 HydrophobicContact CG1-CG 4.32Å
194S83.4Confident82Confident80 Ų8068.8 Ų68.856%0.55939%0.392SS*.THydrogen-bonded Turntrans-73.1-7.4174.5-62.80000114.3P190 I191 C192P190-S194 PolarHBondContact O-N 3.33Å; P190-S194 PolarHBondContact O-OG 2.96Å; I191-S194 PolarHBondContact O-N 2.93Å; C192-S194 VanDerWaalsContact C-N 3.26Å; C192-S194 PolarHBondContact O-N 3.03Å
195L80.3Confident82.3Confident63 Ų6369.4 Ų69.433%0.3339%0.386SS..SBendtrans-83.4146.4175.5-66.2165.2000110.8C192 V193 W197 G198C192-L195 WeakPolarHBondContact O-CB 3.47Å; C192-L195 PolarHBondContact O-N 3.25Å; V193-L195 PolarHBondContact O-N 3.13Å; L195-W197 HydrophobicContact CD2-CZ2 4.17Å; L195-W197 PolarHBondContact O-N 2.76Å; L195-W197 VanDerWaalsContact O-N 3.08Å; L195-G198 PolarHBondContact O-N 2.88Å
196P71.3Confident82.7Confident117 Ų11768.6 Ų68.676%0.7638%0.379SS*.THydrogen-bonded Turntrans-59.4-24.5179.4-21.631.3000114.1
197W73.9Confident83.2Confident203 Ų20364.5 Ų64.577%0.76935%0.353SS*.THydrogen-bonded Turntrans-10614.4176.548.282.2000112.7L195L195-W197 HydrophobicContact CD2-CZ2 4.17Å; L195-W197 PolarHBondContact O-N 2.76Å; L195-W197 VanDerWaalsContact O-N 3.08Å
198G71.8Confident83.1Confident23 Ų2363.9 Ų63.924%0.23735%0.349CS..  trans-74.1132.2175.700000111.9C192 L195 P200C192-G198 WeakPolarHBondContact O-CA 3.46Å; L195-G198 PolarHBondContact O-N 2.88Å; G198-P200 WeakPolarHBondContact O-CD 3.45Å
199D74.1Confident83.1Confident66 Ų6663.5 Ų63.535%0.35335%0.349SS..  trans-98.3115175.6170.18.2000110.1S201 Q202D199-S201 PolarHBondContact O-N 3.04Å; D199-S201 VanDerWaalsContact O-N 3.14Å; D199-S201 WeakPolarHBondContact OD1-CB 3.4Å; D199-S201 PolarHBondContact OD1-N 3.31Å; D199-S201 PolarHBondContact OD1-OG 3.42Å; D199-S201 PolarHBondContact OD2-OG 3.23Å; D199-S201 VanDerWaalsContact OD2-OG 3.04Å; D199-Q202 HydrophobicContact CB-CG 3.62Å; D199-Q202 WeakPolarHBondContact O-CB 3.49Å; D199-Q202 PolarHBondContact O-N 3.12Å; D199-Q202 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q202 PolarHBondContact OD2-NE2 2.92Å
200P80Confident83.1Confident90 Ų9064.8 Ų64.858%0.58436%0.355SS*.THydrogen-bonded Turntrans-60.2-21.1180-23.533.9000114.7T188 V193 G198 Q202T188-P200 WeakPolarHBondContact CG2-O 3.5Å; V193-P200 HydrophobicContact CG1-CB 4.49Å; V193-P200 HydrophobicContact CG1-CG 4.32Å; G198-P200 WeakPolarHBondContact O-CD 3.45Å; P200-Q202 VanDerWaalsContact C-N 3.3Å
201S83.5Confident83.2Confident82 Ų8263.4 Ų63.457%0.57335%0.345SS*.THydrogen-bonded Turntrans-82.5-6.9178.575.80000113.4D199 I203D199-S201 PolarHBondContact O-N 3.04Å; D199-S201 VanDerWaalsContact O-N 3.14Å; D199-S201 WeakPolarHBondContact OD1-CB 3.4Å; D199-S201 PolarHBondContact OD1-N 3.31Å; D199-S201 PolarHBondContact OD1-OG 3.42Å; D199-S201 PolarHBondContact OD2-OG 3.23Å; D199-S201 VanDerWaalsContact OD2-OG 3.04Å; S201-I203 PolarHBondContact O-N 3.21Å; S201-I203 VanDerWaalsContact O-N 3.1Å
202Q81.6Confident83.2Confident119 Ų11965.4 Ų65.456%0.55636%0.356SS*.  trans-75.1102.7179.1-65.6-64.8-21.800111.4D199 P200D199-Q202 HydrophobicContact CB-CG 3.62Å; D199-Q202 WeakPolarHBondContact O-CB 3.49Å; D199-Q202 PolarHBondContact O-N 3.12Å; D199-Q202 WeakPolarHBondContact OD2-CG 3.45Å; D199-Q202 PolarHBondContact OD2-NE2 2.92Å; P200-Q202 VanDerWaalsContact C-N 3.3Å
203I85.6Confident83.1Confident105 Ų10570.7 Ų70.754%0.53838%0.378SS..EExtended strand (participates in β ladder)trans-95.5126.1178.5-60.7168.6000109.6P186 S201P186-I203 HydrophobicContact CB-CG2 3.59Å; S201-I203 PolarHBondContact O-N 3.21Å; S201-I203 VanDerWaalsContact O-N 3.1Å
204T86Confident83.1Confident25 Ų2576.4 Ų76.415%0.15339%0.393CS..EExtended strand (participates in β ladder)trans-96.2126173.9-68.50000109.9P186 V187 N206 H210P186-T204 WeakPolarHBondContact CA-O 3.45Å; V187-T204 PolarHBondContact N-O 3.01Å; V187-T204 PolarHBondContact O-N 3.29Å; T204-N206 VanDerWaalsContact CG2-O 3.24Å; T204-N206 WeakPolarHBondContact CG2-O 3.36Å; T204-H210 HydrophobicContact CG2-CB 3.29Å; T204-H210 PolarHBondContact OG1-ND1 3.03Å
205R82.4Confident83.2Confident137 Ų13773.1 Ų73.152%0.51737%0.369SS..SBendtrans-74.5-31.6179.9-62.2-174-176.4-177.93.4114.2G113 I184G113-R205 PolarHBondContact O-NH2 3.49Å; I184-R205 VanDerWaalsContact CG2-O 3.27Å; I184-R205 WeakPolarHBondContact CG2-O 3.46Å
206N86.6Confident83.3Confident51 Ų5175 Ų7527%0.27338%0.376SS..  trans-126.895.7174.8-177.2-31.7000108.7T204 V208 S209 H210T204-N206 VanDerWaalsContact CG2-O 3.24Å; T204-N206 WeakPolarHBondContact CG2-O 3.36Å; N206-V208 VanDerWaalsContact C-N 3.35Å; N206-V208 PolarHBondContact O-N 2.99Å; N206-V208 PolarHBondContact OD1-N 3.18Å; N206-S209 VanDerWaalsContact CG-CB 3.48Å; N206-S209 PolarHBondContact O-N 3.3Å; N206-S209 WeakPolarHBondContact OD1-CB 3.37Å; N206-S209 PolarHBondContact OD1-N 2.91Å; N206-H210 WeakPolarHBondContact O-CB 3.47Å; N206-H210 PolarHBondContact O-N 3.4Å; N206-H210 VanDerWaalsContact O-N 3.08Å
207F88.6Confident83.3Confident0 Ų076 Ų760%037%0.369CS..Hα-helixtrans-60.3-43.9-175-174.6-124.4000112.5P160 L161 L172 C176 V187 C189 P190 H210 L211P160-F207 HydrophobicContact CG-CD1 3.76Å; P160-F207 HydrophobicContact CG-CD2 4.16Å; P160-F207 HydrophobicContact CG-CE1 3.55Å; P160-F207 HydrophobicContact CG-CE2 4.01Å; P160-F207 HydrophobicContact CG-CG 4.06Å; P160-F207 HydrophobicContact CG-CZ 3.69Å; L161-F207 HydrophobicContact CD1-CB 4.33Å; L161-F207 HydrophobicContact CD1-CD1 4.05Å; L161-F207 HydrophobicContact CG-CD1 4.19Å; L172-F207 HydrophobicContact CD2-CZ 4.1Å; C176-F207 VanDerWaalsContact SG-CE1 3.53Å; V187-F207 HydrophobicContact CG2-CB 3.58Å; V187-F207 HydrophobicContact CG2-CD2 3.78Å; V187-F207 HydrophobicContact CG2-CG 3.71Å; C189-F207 HydrophobicContact CB-CD2 4.49Å; C189-F207 HydrophobicContact CB-CE2 4.03Å; P190-F207 HydrophobicContact CG-CZ 4.3Å; F207-H210 PolarHBondContact O-N 3.39Å; F207-L211 HydrophobicContact CD1-CD1 4.04Å; F207-L211 HydrophobicContact CD2-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.54Å; F207-L211 HydrophobicContact CE1-CG 4.19Å; F207-L211 HydrophobicContact CE2-CD1 4.22Å; F207-L211 HydrophobicContact CE2-CD2 3.94Å; F207-L211 HydrophobicContact CE2-CG 3.96Å; F207-L211 HydrophobicContact CZ-CD1 3.64Å; F207-L211 HydrophobicContact CZ-CD2 3.88Å; F207-L211 HydrophobicContact CZ-CG 3.88Å; F207-L211 WeakPolarHBondContact O-CG 3.36Å; F207-L211 PolarHBondContact O-N 3.03Å
208V88.5Confident83Confident5 Ų568.7 Ų68.73%0.0335%0.345CS..Hα-helixtrans-63.7-46.6-178.2-171.60000111.3L161 C176 N177 H180 L181 N206 H210 L211 N212L161-V208 HydrophobicContact CD1-CG2 4.44Å; C176-V208 HydrophobicContact CB-CG2 4.1Å; N177-V208 WeakPolarHBondContact OD1-CG1 3.18Å; H180-V208 HydrophobicContact CB-CG2 4.04Å; H180-V208 WeakPolarHBondContact O-CG2 3.26Å; L181-V208 HydrophobicContact CD2-CG1 4.4Å; N206-V208 VanDerWaalsContact C-N 3.35Å; N206-V208 PolarHBondContact O-N 2.99Å; N206-V208 PolarHBondContact OD1-N 3.18Å; V208-H210 VanDerWaalsContact C-N 3.33Å; V208-H210 PolarHBondContact O-N 2.79Å; V208-L211 PolarHBondContact O-N 3.11Å; V208-N212 PolarHBondContact O-N 3.36Å; V208-N212 VanDerWaalsContact O-N 3.08Å; V208-N212 PolarHBondContact O-ND2 2.72Å; V208-N212 VanDerWaalsContact O-ND2 3.15Å
209S87.8Confident82.3Confident45 Ų4576.5 Ų76.532%0.31537%0.368SS..Hα-helixtrans-62.8-40.3177.5-173.60000112.1N206 N212 Q213N206-S209 VanDerWaalsContact CG-CB 3.48Å; N206-S209 PolarHBondContact O-N 3.3Å; N206-S209 WeakPolarHBondContact OD1-CB 3.37Å; N206-S209 PolarHBondContact OD1-N 2.91Å; S209-N212 PolarHBondContact O-N 3.35Å; S209-Q213 VanDerWaalsContact O-CG 3.29Å; S209-Q213 WeakPolarHBondContact O-CG 3.27Å; S209-Q213 PolarHBondContact O-N 2.94Å; S209-Q213 PolarHBondContact OG-NE2 3.21Å
210H91.2Very high81.6Confident28 Ų2875.9 Ų75.913%0.1338%0.378CS..Hα-helixtrans-63.9-44.7175.6167.494.4000112.8C189 C192 T204 N206 F207 V208 N212 Q213 R214 H215C189-H210 WeakPolarHBondContact CB-NE2 3.09Å; C189-H210 PolarHBondContact SG-NE2 3.06Å; C192-H210 PolarHBondContact SG-CE1 3.06Å; C192-H210 PolarHBondContact SG-NE2 2.92Å; T204-H210 HydrophobicContact CG2-CB 3.29Å; T204-H210 PolarHBondContact OG1-ND1 3.03Å; N206-H210 WeakPolarHBondContact O-CB 3.47Å; N206-H210 PolarHBondContact O-N 3.4Å; N206-H210 VanDerWaalsContact O-N 3.08Å; F207-H210 PolarHBondContact O-N 3.39Å; V208-H210 VanDerWaalsContact C-N 3.33Å; V208-H210 PolarHBondContact O-N 2.79Å; H210-N212 VanDerWaalsContact C-N 3.29Å; H210-N212 PolarHBondContact O-N 2.98Å; H210-Q213 PolarHBondContact O-N 2.75Å; H210-Q213 VanDerWaalsContact O-N 3.14Å; H210-R214 WeakPolarHBondContact O-CB 3.39Å; H210-R214 PolarHBondContact O-N 3.01Å; H210-H215 AromaticContact CD2-CD2 3.85Å; H210-H215 AromaticContact NE2-CD2 3.53Å; H210-H215 AromaticContact NE2-NE2 3.33Å; H210-H215 PolarHBondContact NE2-NE2 3.06Å
211L88.8Confident80.7Confident2 Ų277.8 Ų77.81%0.0138%0.379CS..Hα-helixtrans-56.6-46.1175.2-73.1-179.3000110.7L172 L173 C176 I191 F207 V208 Q213 H215 Q216L172-L211 HydrophobicContact CG-CD1 4.29Å; L173-L211 HydrophobicContact CD1-CB 4.29Å; L173-L211 HydrophobicContact CG-CB 4.4Å; C176-L211 HydrophobicContact CB-CD1 3.92Å; I191-L211 HydrophobicContact CD1-CD2 3.49Å; I191-L211 VanDerWaalsContact CD1-CD2 3.49Å; F207-L211 HydrophobicContact CD1-CD1 4.04Å; F207-L211 HydrophobicContact CD2-CG 4.36Å; F207-L211 HydrophobicContact CE1-CD1 3.54Å; F207-L211 HydrophobicContact CE1-CG 4.19Å; F207-L211 HydrophobicContact CE2-CD1 4.22Å; F207-L211 HydrophobicContact CE2-CD2 3.94Å; F207-L211 HydrophobicContact CE2-CG 3.96Å; F207-L211 HydrophobicContact CZ-CD1 3.64Å; F207-L211 HydrophobicContact CZ-CD2 3.88Å; F207-L211 HydrophobicContact CZ-CG 3.88Å; F207-L211 WeakPolarHBondContact O-CG 3.36Å; F207-L211 PolarHBondContact O-N 3.03Å; V208-L211 PolarHBondContact O-N 3.11Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 3.21Å; L211-H215 HydrophobicContact CD2-CB 4.18Å; L211-H215 CarbonylContact O-C 3.59Å; L211-H215 VanDerWaalsContact O-C 3.29Å; L211-H215 WeakPolarHBondContact O-CA 3.27Å; L211-H215 WeakPolarHBondContact O-CB 3.46Å; L211-H215 PolarHBondContact O-N 2.96Å; L211-Q216 PolarHBondContact O-N 3.35Å; L211-Q216 VanDerWaalsContact O-N 3.09Å
212N87.7Confident79.4Confident47 Ų4781.2 Ų81.225%0.25138%0.384SS..Hα-helixtrans-65.8-30.6178-69.9-39.1000113.4N177 V208 S209 H210 Q216N177-N212 PolarHBondContact ND2-OD1 3.48Å; N177-N212 PolarHBondContact OD1-ND2 2.89Å; V208-N212 PolarHBondContact O-N 3.36Å; V208-N212 VanDerWaalsContact O-N 3.08Å; V208-N212 PolarHBondContact O-ND2 2.72Å; V208-N212 VanDerWaalsContact O-ND2 3.15Å; S209-N212 PolarHBondContact O-N 3.35Å; H210-N212 VanDerWaalsContact C-N 3.29Å; H210-N212 PolarHBondContact O-N 2.98Å; N212-Q216 VanDerWaalsContact O-CB 3.24Å; N212-Q216 WeakPolarHBondContact O-CB 3.42Å; N212-Q216 PolarHBondContact O-OE1 2.97Å
213Q86.6Confident78.3Confident141 Ų14177.3 Ų77.366%0.65937%0.368SS*.Hα-helixtrans-85.1-33.4-179.4-72.2173.733.800113.9S209 H210 L211S209-Q213 VanDerWaalsContact O-CG 3.29Å; S209-Q213 WeakPolarHBondContact O-CG 3.27Å; S209-Q213 PolarHBondContact O-N 2.94Å; S209-Q213 PolarHBondContact OG-NE2 3.21Å; H210-Q213 PolarHBondContact O-N 2.75Å; H210-Q213 VanDerWaalsContact O-N 3.14Å; L211-Q213 VanDerWaalsContact C-N 3.31Å; L211-Q213 PolarHBondContact O-N 3.21Å
214R85.6Confident77.3Confident175 Ų17576.3 Ų76.366%0.6636%0.364SS*.Hα-helixtrans-114.3-22.5-169.9-63.1-59-169.691.1-0.1113.5R169 H210R169-R214 PolarHBondContact NH2-O 2.72Å; H210-R214 WeakPolarHBondContact O-CB 3.39Å; H210-R214 PolarHBondContact O-N 3.01Å
215H86.2Confident76.2Confident11 Ų1182.1 Ų82.15%0.05139%0.393CS..THydrogen-bonded Turntrans-124.94-169.8-59.4-60.2000115.1R169 I191 C192 H210 L211 F217R169-H215 PolarHBondContact NE-O 3.43Å; R169-H215 VanDerWaalsContact NE-O 3.11Å; R169-H215 PolarHBondContact NH1-ND1 3.06Å; R169-H215 VanDerWaalsContact NH2-CA 3.33Å; R169-H215 PolarHBondContact NH2-ND1 2.91Å; I191-H215 HydrophobicContact CD1-CB 4.14Å; I191-H215 VanDerWaalsContact CG2-CE1 3.45Å; I191-H215 WeakPolarHBondContact CG2-CE1 3.48Å; I191-H215 WeakPolarHBondContact CG2-ND1 3.22Å; C192-H215 PolarHBondContact SG-NE2 3.15Å; H210-H215 AromaticContact CD2-CD2 3.85Å; H210-H215 AromaticContact NE2-CD2 3.53Å; H210-H215 AromaticContact NE2-NE2 3.33Å; H210-H215 PolarHBondContact NE2-NE2 3.06Å; L211-H215 HydrophobicContact CD2-CB 4.18Å; L211-H215 CarbonylContact O-C 3.59Å; L211-H215 VanDerWaalsContact O-C 3.29Å; L211-H215 WeakPolarHBondContact O-CA 3.27Å; L211-H215 WeakPolarHBondContact O-CB 3.46Å; L211-H215 PolarHBondContact O-N 2.96Å; H215-F217 PolarHBondContact O-N 2.89Å
216Q82.6Confident75.4Confident103 Ų10383.9 Ų83.948%0.48141%0.408SS..SBendtrans-60.4-30.5176-178.9174.734.400113.5L173 L211 N212L173-Q216 HydrophobicContact CD1-CB 4.32Å; L211-Q216 PolarHBondContact O-N 3.35Å; L211-Q216 VanDerWaalsContact O-N 3.09Å; N212-Q216 VanDerWaalsContact O-CB 3.24Å; N212-Q216 WeakPolarHBondContact O-CB 3.42Å; N212-Q216 PolarHBondContact O-OE1 2.97Å
217F71.1Confident74.4Confident137 Ų13784.8 Ų84.860%0.60141%0.412SS*.  trans-114137.4179.6-58.4-77.7000110.1R169 H215R169-F217 PolarHBondContact NH2-O 3.36Å; H215-F217 PolarHBondContact O-N 2.89Å
218D66.9Low74Confident50 Ų5089 Ų8927%0.26744%0.435SS..  trans-107.7112.3168.2-169.115.7000109.7G220 E221 F222D218-G220 PolarHBondContact O-N 2.72Å; D218-G220 PolarHBondContact OD1-N 3.38Å; D218-E221 PolarHBondContact O-N 3.37Å; D218-F222 VanDerWaalsContact O-CD2 3.28Å; D218-F222 WeakPolarHBondContact O-CD2 3.47Å
219Y58Low73.4Confident187 Ų18796.8 Ų96.873%0.73347%0.47SS*.Hα-helixtrans-65.8-26.9-177.5-115.3-93.2000112.2E221 F222 V223Y219-E221 VanDerWaalsContact C-N 3.26Å; Y219-E221 PolarHBondContact O-N 3.27Å; Y219-F222 PolarHBondContact O-N 3.12Å; Y219-V223 HydrophobicContact CD1-CB 4.34Å; Y219-V223 HydrophobicContact CD1-CG2 3.71Å; Y219-V223 HydrophobicContact CE1-CG2 3.96Å; Y219-V223 WeakPolarHBondContact O-CB 3.43Å; Y219-V223 PolarHBondContact O-N 3.1Å
220G59.5Low73.1Confident54 Ų54101 Ų10156%0.55749%0.485SS*.Hα-helixtrans-71.5-17.3-179.800000114.5D218D218-G220 PolarHBondContact O-N 2.72Å; D218-G220 PolarHBondContact OD1-N 3.38Å
221E59.6Low72.6Confident130 Ų130102.2 Ų102.261%0.60750%0.495SS*.Hα-helixtrans-81.8-29.9176-163.3179.3-177.200111.8D218 Y219D218-E221 PolarHBondContact O-N 3.37Å; Y219-E221 VanDerWaalsContact C-N 3.26Å; Y219-E221 PolarHBondContact O-N 3.27Å
222F57Low72.3Confident153 Ų153104.8 Ų104.867%0.67151%0.507SS*.Hα-helixtrans-105-17-174.8-60.2-78.3000114.1D218 Y219D218-F222 VanDerWaalsContact O-CD2 3.28Å; D218-F222 WeakPolarHBondContact O-CD2 3.47Å; Y219-F222 PolarHBondContact O-N 3.12Å
223V58.7Low72.1Confident37 Ų37109.8 Ų109.822%0.22452%0.523CS..  trans-126.1105.1-178.2-175.10000108.7Y219 L225Y219-V223 HydrophobicContact CD1-CB 4.34Å; Y219-V223 HydrophobicContact CD1-CG2 3.71Å; Y219-V223 HydrophobicContact CE1-CG2 3.96Å; Y219-V223 WeakPolarHBondContact O-CB 3.43Å; Y219-V223 PolarHBondContact O-N 3.1Å; V223-L225 HydrophobicContact CG1-CD2 4.08Å; V223-L225 PolarHBondContact O-N 3.33Å; V223-L225 VanDerWaalsContact O-N 3.12Å
224N64.6Low71.9Confident85 Ų85107.2 Ų107.246%0.45551%0.511SS..  trans-7797171.7-174.9-17.5000109.2Q226 L227 Q232N224-Q226 PolarHBondContact O-N 2.9Å; N224-Q226 VanDerWaalsContact OD1-CB 3.3Å; N224-Q226 WeakPolarHBondContact OD1-CB 3.39Å; N224-Q226 PolarHBondContact OD1-N 3.16Å; N224-L227 HydrophobicContact CB-CD1 3.91Å; N224-L227 HydrophobicContact CB-CG 4.07Å; N224-L227 PolarHBondContact O-N 3.48Å; N224-Q232 PolarHBondContact O-NE2 3.45Å
225L62.1Low71.7Confident147 Ų147101.5 Ų101.577%0.7750%0.496SS*.THydrogen-bonded Turntrans-61.1-10.8-178.6-63.1172.8000114.3V223V223-L225 HydrophobicContact CG1-CD2 4.08Å; V223-L225 PolarHBondContact O-N 3.33Å; V223-L225 VanDerWaalsContact O-N 3.12Å
226Q66.1Low71.5Confident174 Ų174103.7 Ų103.781%0.81352%0.516SS*.THydrogen-bonded Turntrans-81.2-16.3171.7-105.476.56.600113.3N224N224-Q226 PolarHBondContact O-N 2.9Å; N224-Q226 VanDerWaalsContact OD1-CB 3.3Å; N224-Q226 WeakPolarHBondContact OD1-CB 3.39Å; N224-Q226 PolarHBondContact OD1-N 3.16Å
227L66.4Low71.6Confident69 Ų69100.9 Ų100.936%0.36151%0.505SS..SBendtrans-93139.5178.1-62.3177.9000110.1N224 T231 Q232N224-L227 HydrophobicContact CB-CD1 3.91Å; N224-L227 HydrophobicContact CB-CG 4.07Å; N224-L227 PolarHBondContact O-N 3.48Å; L227-T231 HydrophobicContact CB-CG2 4.49Å; L227-T231 HydrophobicContact CD1-CG2 4.4Å; L227-T231 HydrophobicContact CD2-CG2 4.12Å; L227-Q232 HydrophobicContact CB-CG 3.79Å; L227-Q232 PolarHBondContact O-NE2 3.02Å
228D78.4Confident72.2Confident90 Ų9099 Ų9948%0.48150%0.499SS..  trans-65.6157.6170.163.6-89.6000111.4E230 T231 Q232D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.29Å; D228-E230 WeakPolarHBondContact OD2-CB 3.5Å; D228-E230 PolarHBondContact OD2-N 3.08Å; D228-T231 PolarHBondContact O-N 3.05Å; D228-T231 WeakPolarHBondContact OD1-CB 3.45Å; D228-T231 PolarHBondContact OD1-OG1 2.76Å; D228-T231 PolarHBondContact OD2-N 3.37Å; D228-T231 PolarHBondContact OD2-OG1 3.46Å; D228-Q232 WeakPolarHBondContact O-CG 3.49Å; D228-Q232 PolarHBondContact O-N 3.04Å
229E75.9Confident72.9Confident167 Ų167102.3 Ų102.378%0.7851%0.513SS*.Hα-helixtrans-58.2-36.6-175.2-175.2179179.400112.7Q232 Y233E229-Q232 PolarHBondContact O-N 3.43Å; E229-Y233 WeakPolarHBondContact O-CB 3.28Å; E229-Y233 PolarHBondContact O-N 3.01Å
230E81.5Confident73.9Confident133 Ų13397.1 Ų97.162%0.62150%0.504SS*.Hα-helixtrans-67.5-44.3179.5-173.367.9-150.800110.6D228 Q232 Y233 Q234D228-E230 VanDerWaalsContact C-N 3.26Å; D228-E230 PolarHBondContact O-N 3.29Å; D228-E230 WeakPolarHBondContact OD2-CB 3.5Å; D228-E230 PolarHBondContact OD2-N 3.08Å; E230-Q232 PolarHBondContact O-N 3.49Å; E230-Y233 PolarHBondContact O-N 3.29Å; E230-Q234 WeakPolarHBondContact O-CB 3.45Å; E230-Q234 PolarHBondContact O-N 2.75Å
231T82.4Confident74.7Confident55 Ų55101.5 Ų101.534%0.33751%0.508SS..Hα-helixtrans-65.2-39177.1-59.80000111.9L227 D228 T235L227-T231 HydrophobicContact CB-CG2 4.49Å; L227-T231 HydrophobicContact CD1-CG2 4.4Å; L227-T231 HydrophobicContact CD2-CG2 4.12Å; D228-T231 PolarHBondContact O-N 3.05Å; D228-T231 WeakPolarHBondContact OD1-CB 3.45Å; D228-T231 PolarHBondContact OD1-OG1 2.76Å; D228-T231 PolarHBondContact OD2-N 3.37Å; D228-T231 PolarHBondContact OD2-OG1 3.46Å; T231-T235 WeakPolarHBondContact O-CB 3.46Å; T231-T235 PolarHBondContact O-N 2.99Å; T231-T235 PolarHBondContact O-OG1 3.36Å
232Q80.9Confident74.9Confident55 Ų55101.8 Ų101.826%0.25751%0.509SS..Hα-helixtrans-64-43.7174.8-69.9178.7-100111.8N224 L227 D228 E229 E230 T235 A236N224-Q232 PolarHBondContact O-NE2 3.45Å; L227-Q232 HydrophobicContact CB-CG 3.79Å; L227-Q232 PolarHBondContact O-NE2 3.02Å; D228-Q232 WeakPolarHBondContact O-CG 3.49Å; D228-Q232 PolarHBondContact O-N 3.04Å; E229-Q232 PolarHBondContact O-N 3.43Å; E230-Q232 PolarHBondContact O-N 3.49Å; Q232-T235 PolarHBondContact O-N 3.28Å; Q232-A236 WeakPolarHBondContact O-CB 3.41Å; Q232-A236 PolarHBondContact O-N 3.33Å
233Y83.4Confident75Confident153 Ų153100.4 Ų100.460%0.651%0.513SS*.Hα-helixtrans-62.4-46.7177.2178.4-100.5000111.6E229 E230 T235 A236 V237E229-Y233 WeakPolarHBondContact O-CB 3.28Å; E229-Y233 PolarHBondContact O-N 3.01Å; E230-Y233 PolarHBondContact O-N 3.29Å; Y233-T235 VanDerWaalsContact C-N 3.34Å; Y233-T235 PolarHBondContact O-N 2.88Å; Y233-A236 PolarHBondContact O-N 3.45Å; Y233-V237 HydrophobicContact CD1-CG2 4.33Å; Y233-V237 HydrophobicContact CE1-CG2 3.93Å; Y233-V237 HydrophobicContact CE2-CG2 4.29Å; Y233-V237 WeakPolarHBondContact O-CG2 3.33Å; Y233-V237 PolarHBondContact O-N 3.15Å
234Q83.2Confident74.7Confident87 Ų87105.3 Ų105.341%0.40754%0.537SS..Hα-helixtrans-62.1-41.6179.7-170.360.233.600112E230 V237 E238E230-Q234 WeakPolarHBondContact O-CB 3.45Å; E230-Q234 PolarHBondContact O-N 2.75Å; Q234-V237 PolarHBondContact O-N 3.12Å; Q234-E238 PolarHBondContact NE2-OE1 3.12Å; Q234-E238 WeakPolarHBondContact O-CG 3.44Å; Q234-E238 PolarHBondContact O-N 3.38Å
235T80.9Confident73.7Confident54 Ų54111.4 Ų111.433%0.33157%0.568SS.*Hα-helixtrans-62.4-46.3176.3-54.40000111.4T231 Q232 Y233 V237 E238 E239T231-T235 WeakPolarHBondContact O-CB 3.46Å; T231-T235 PolarHBondContact O-N 2.99Å; T231-T235 PolarHBondContact O-OG1 3.36Å; Q232-T235 PolarHBondContact O-N 3.28Å; Y233-T235 VanDerWaalsContact C-N 3.34Å; Y233-T235 PolarHBondContact O-N 2.88Å; T235-V237 VanDerWaalsContact C-N 3.3Å; T235-V237 PolarHBondContact O-N 2.66Å; T235-E238 PolarHBondContact O-N 3.16Å; T235-E239 HydrophobicContact CG2-CG 4.4Å; T235-E239 WeakPolarHBondContact O-CG 3.39Å; T235-E239 PolarHBondContact O-N 3.2Å
236A82.4Confident74.3Confident57 Ų57109.7 Ų109.747%0.47156%0.558SS.*Hα-helixtrans-62.9-36.4178.700000112.5Q232 Y233 S240Q232-A236 WeakPolarHBondContact O-CB 3.41Å; Q232-A236 PolarHBondContact O-N 3.33Å; Y233-A236 PolarHBondContact O-N 3.45Å; A236-S240 VanDerWaalsContact O-CB 3.28Å; A236-S240 WeakPolarHBondContact O-CB 3.16Å; A236-S240 PolarHBondContact O-N 3.22Å; A236-S240 VanDerWaalsContact O-N 3.08Å
237V85.4Confident74.7Confident44 Ų44106.3 Ų106.327%0.26755%0.545SS..Hα-helixtrans-64.6-47.8174172.10000110.3Y233 Q234 T235 S240 F241Y233-V237 HydrophobicContact CD1-CG2 4.33Å; Y233-V237 HydrophobicContact CE1-CG2 3.93Å; Y233-V237 HydrophobicContact CE2-CG2 4.29Å; Y233-V237 WeakPolarHBondContact O-CG2 3.33Å; Y233-V237 PolarHBondContact O-N 3.15Å; Q234-V237 PolarHBondContact O-N 3.12Å; T235-V237 VanDerWaalsContact C-N 3.3Å; T235-V237 PolarHBondContact O-N 2.66Å; V237-S240 WeakPolarHBondContact O-CB 3.48Å; V237-S240 PolarHBondContact O-N 3.34Å; V237-F241 HydrophobicContact CG1-CD2 3.91Å; V237-F241 HydrophobicContact CG1-CE2 3.68Å; V237-F241 WeakPolarHBondContact O-CD2 3.34Å; V237-F241 PolarHBondContact O-N 3.02Å; V237-F241 VanDerWaalsContact O-N 3.12Å
238E82.2Confident75.2Confident98 Ų98108.3 Ų108.346%0.45856%0.555SS.*Hα-helixtrans-64-42.4179.8-75.4176-164.900113.3Q234 T235 S240 F241 Q242Q234-E238 PolarHBondContact NE2-OE1 3.12Å; Q234-E238 WeakPolarHBondContact O-CG 3.44Å; Q234-E238 PolarHBondContact O-N 3.38Å; T235-E238 PolarHBondContact O-N 3.16Å; E238-S240 VanDerWaalsContact C-N 3.32Å; E238-S240 PolarHBondContact O-N 3.15Å; E238-F241 WeakPolarHBondContact O-CB 3.31Å; E238-F241 PolarHBondContact O-N 2.88Å; E238-F241 VanDerWaalsContact O-N 3.16Å; E238-Q242 WeakPolarHBondContact O-CG 3.43Å; E238-Q242 PolarHBondContact O-N 2.95Å; E238-Q242 VanDerWaalsContact O-N 3.1Å
239E81.7Confident75Confident120 Ų120109.4 Ų109.456%0.56156%0.559SS**Hα-helixtrans-63.3-39.4175-72.4-177.1165.300111.6T235 F241 Q242 V243T235-E239 HydrophobicContact CG2-CG 4.4Å; T235-E239 WeakPolarHBondContact O-CG 3.39Å; T235-E239 PolarHBondContact O-N 3.2Å; E239-F241 PolarHBondContact O-N 3.01Å; E239-Q242 PolarHBondContact O-N 2.86Å; E239-Q242 VanDerWaalsContact O-N 3.12Å; E239-V243 WeakPolarHBondContact O-CG2 3.39Å; E239-V243 PolarHBondContact O-N 3.32Å
240S78.9Confident75Confident78 Ų78105.8 Ų105.855%0.54555%0.545SS..Hα-helixtrans-61.5-32.4174.3-172.50000112.5A236 V237 E238A236-S240 VanDerWaalsContact O-CB 3.28Å; A236-S240 WeakPolarHBondContact O-CB 3.16Å; A236-S240 PolarHBondContact O-N 3.22Å; A236-S240 VanDerWaalsContact O-N 3.08Å; V237-S240 WeakPolarHBondContact O-CB 3.48Å; V237-S240 PolarHBondContact O-N 3.34Å; E238-S240 VanDerWaalsContact C-N 3.32Å; E238-S240 PolarHBondContact O-N 3.15Å
241F76.6Confident74.5Confident146 Ų146104 Ų10464%0.6454%0.54SS*.Hα-helixtrans-73.1-34.5173.3-84.2-74.8000113.1V237 E238 E239 N244V237-F241 HydrophobicContact CG1-CD2 3.91Å; V237-F241 HydrophobicContact CG1-CE2 3.68Å; V237-F241 WeakPolarHBondContact O-CD2 3.34Å; V237-F241 PolarHBondContact O-N 3.02Å; V237-F241 VanDerWaalsContact O-N 3.12Å; E238-F241 WeakPolarHBondContact O-CB 3.31Å; E238-F241 PolarHBondContact O-N 2.88Å; E238-F241 VanDerWaalsContact O-N 3.16Å; E239-F241 PolarHBondContact O-N 3.01Å; F241-N244 PolarHBondContact O-N 3.25Å
242Q65.1Low74Confident136 Ų136107.5 Ų107.564%0.63656%0.555SS**Hα-helixtrans-73.7-23.8-177.9-72175.745.700113.7E238 E239 N244E238-Q242 WeakPolarHBondContact O-CG 3.43Å; E238-Q242 PolarHBondContact O-N 2.95Å; E238-Q242 VanDerWaalsContact O-N 3.1Å; E239-Q242 PolarHBondContact O-N 2.86Å; E239-Q242 VanDerWaalsContact O-N 3.12Å; Q242-N244 PolarHBondContact O-N 3.2Å
243V58.7Low73.4Confident124 Ų124111.5 Ų111.575%0.75258%0.578SS**THydrogen-bonded Turntrans-76.9-7.8176.8-177.80000112.6E239E239-V243 WeakPolarHBondContact O-CG2 3.39Å; E239-V243 PolarHBondContact O-N 3.32Å
244N51.5Low72.6Confident139 Ų139108.1 Ų108.174%0.74358%0.576SS**THydrogen-bonded Turntrans-105.318.4-178.6-84.3-23.3000114.7F241 Q242F241-N244 PolarHBondContact O-N 3.25Å; Q242-N244 PolarHBondContact O-N 3.2Å
245I44.6Very low71.6Confident214 Ų214110 Ų110100%1.09759%0.591SS**  trans-116.90173.6-60.1176.7000110.6

Retrieved 245 of 245 residues in 89 ms (Link to these results)

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