G4M0F5_SCHMA Loading...

Elongator complex protein 3

Catalytic tRNA acetyltransferase subunit of the elongator complex, which is required for multiple tRNA modifications, including mcm5U (5-methoxycarbonylmethyl uridine), mcm5s2U (5-methoxycarbonylmethyl-2-thiouridine), and ncm5U (5-carbamoylmethyl uridine). In the elongator complex, acts as a tRNA uridine(34) acetyltransferase by mediating formation of carboxymethyluridine in the wobble base at position 34 in tRNAs.

AlphaFold DB , UniProt , Accession G4M0F5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 563 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M43.3Very low62.3Low244 Ų244124.5 Ų124.5100%1.20265%0.653SS**  0111.70-72.8-178.8170.500108.1K3M1-K3 PolarHBondContact O-N 3.23Å
2A49.8Very low63.8Low72 Ų72126.3 Ų126.360%0.59565%0.651SS**PPolyproline II helixtrans-65.9122.5175.400000108.4A4A2-A4 PolarHBondContact O-N 3.47Å
3K53.1Low65.2Low203 Ų203127.9 Ų127.988%0.88365%0.654SS**PPolyproline II helixtrans-57.3124.6174.8-80.7178.8174.5176.60108.3M1 R5M1-K3 PolarHBondContact O-N 3.23Å; K3-R5 PolarHBondContact O-N 3.44Å
4A59.7Low66.5Low54 Ų54126.1 Ų126.145%0.44664%0.642SS.*PPolyproline II helixtrans-55.6125.4176.400000109.1A2 K6 K49A2-A4 PolarHBondContact O-N 3.47Å; A4-K6 VanDerWaalsContact C-N 3.34Å; A4-K6 PolarHBondContact O-N 2.77Å; A4-K49 CarbonylContact C-O 3.58Å; A4-K49 WeakPolarHBondContact CA-O 3.34Å
5R59.7Low67.8Low161 Ų161119.7 Ų119.761%0.60861%0.609SS**  trans-74.191.9178.6-153.8-179.7-172.2-169.42.1106.6K3 I7 K49K3-R5 PolarHBondContact O-N 3.44Å; R5-I7 PolarHBondContact O-N 3.27Å; R5-K49 PolarHBondContact N-O 2.9Å
6K59Low68.8Low197 Ų197114.8 Ų114.886%0.85758%0.583SS**  trans-66.199.5176.4-78.8-173.2175.3-176.40108.4A4 P8A4-K6 VanDerWaalsContact C-N 3.34Å; A4-K6 PolarHBondContact O-N 2.77Å; K6-P8 WeakPolarHBondContact O-CD 3.44Å
7I67.1Low69.8Low69 Ų69113.9 Ų113.935%0.35459%0.585SS.*  trans-80.7111.8166.2-58176.1000105.9R5 N9 A10 L15 L18 Y50R5-I7 PolarHBondContact O-N 3.27Å; I7-N9 PolarHBondContact O-N 2.97Å; I7-A10 HydrophobicContact CB-CB 4.05Å; I7-A10 HydrophobicContact CG2-CB 3.85Å; I7-L15 HydrophobicContact CD1-CD2 4.34Å; I7-L18 HydrophobicContact CD1-CD1 3.58Å; I7-Y50 HydrophobicContact CD1-CD1 4.21Å; I7-Y50 HydrophobicContact CD1-CE1 3.97Å
8P66.1Low70.7Confident112 Ų112111.4 Ų111.473%0.72757%0.573SS**THydrogen-bonded Turntrans-61.2135.4180-17.230.4000110.1K6 A10K6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-A10 VanDerWaalsContact C-N 3.27Å; P8-A10 PolarHBondContact O-N 3.24Å
9N69.6Low71.5Confident167 Ų167105.6 Ų105.689%0.89354%0.543SS*.THydrogen-bonded Turntrans64.511.8175.3-58.6-14.7000117.5I7 T11I7-N9 PolarHBondContact O-N 2.97Å; N9-T11 PolarHBondContact O-N 2.86Å
10A75.6Confident72.3Confident26 Ų26100.7 Ų100.722%0.21552%0.518CS..  trans-72.1128.9173.700000111.3I7 P8 E14 L15I7-A10 HydrophobicContact CB-CB 4.05Å; I7-A10 HydrophobicContact CG2-CB 3.85Å; P8-A10 VanDerWaalsContact C-N 3.27Å; P8-A10 PolarHBondContact O-N 3.24Å; A10-E14 WeakPolarHBondContact CA-OE2 3.41Å; A10-L15 HydrophobicContact CB-CD2 3.88Å; A10-L15 HydrophobicContact CB-CG 3.95Å
11T82.6Confident73Confident65 Ų6599.1 Ų99.140%0.39952%0.516SS..  trans-67.1160.717262.20000111N9 E13 E14 L15N9-T11 PolarHBondContact O-N 2.86Å; T11-E13 PolarHBondContact O-N 3.07Å; T11-E14 PolarHBondContact N-OE2 3.13Å; T11-E14 PolarHBondContact O-N 3.38Å; T11-E14 WeakPolarHBondContact OG1-CB 3.46Å; T11-E14 WeakPolarHBondContact OG1-CG 3.5Å; T11-E14 PolarHBondContact OG1-N 2.95Å; T11-E14 PolarHBondContact OG1-OE2 3.46Å; T11-L15 WeakPolarHBondContact O-CG 3.18Å; T11-L15 PolarHBondContact O-N 2.87Å
12K80.4Confident75.2Confident145 Ų14589.2 Ų89.263%0.6347%0.466SS*.Hα-helixtrans-59.2-36.4177.1-175.5-177.8176.1-175.70112.1M16K12-M16 PolarHBondContact O-N 2.95Å; K12-M16 VanDerWaalsContact O-N 3.09Å
13E81.9Confident77Confident148 Ų14885.8 Ų85.869%0.69244%0.438SS*.Hα-helixtrans-68.5-43.4177.6-71.2120.6-16500111.8T11 L15 M16 V17T11-E13 PolarHBondContact O-N 3.07Å; E13-L15 PolarHBondContact O-N 3.26Å; E13-M16 WeakPolarHBondContact O-CB 3.36Å; E13-M16 PolarHBondContact O-N 3.31Å; E13-M16 VanDerWaalsContact O-N 3.13Å; E13-V17 WeakPolarHBondContact O-CG2 3.25Å; E13-V17 PolarHBondContact O-N 3.04Å
14E83.4Confident78.6Confident103 Ų10376.5 Ų76.548%0.48140%0.398SS..Hα-helixtrans-61.8-43176.1-73165.2152.200111.8A10 T11 M16 V17 L18A10-E14 WeakPolarHBondContact CA-OE2 3.41Å; T11-E14 PolarHBondContact N-OE2 3.13Å; T11-E14 PolarHBondContact O-N 3.38Å; T11-E14 WeakPolarHBondContact OG1-CB 3.46Å; T11-E14 WeakPolarHBondContact OG1-CG 3.5Å; T11-E14 PolarHBondContact OG1-N 2.95Å; T11-E14 PolarHBondContact OG1-OE2 3.46Å; E14-M16 VanDerWaalsContact C-N 3.28Å; E14-M16 PolarHBondContact O-N 3.02Å; E14-V17 PolarHBondContact O-N 2.94Å; E14-L18 WeakPolarHBondContact O-CG 3.41Å; E14-L18 PolarHBondContact O-N 3.39Å
15L85Confident79.9Confident30 Ų3077.2 Ų77.216%0.15740%0.4CS..Hα-helixtrans-61.2-37.8174.5-69.2174.7000111.9I7 A10 T11 E13 T19 Y50 L52I7-L15 HydrophobicContact CD1-CD2 4.34Å; A10-L15 HydrophobicContact CB-CD2 3.88Å; A10-L15 HydrophobicContact CB-CG 3.95Å; T11-L15 WeakPolarHBondContact O-CG 3.18Å; T11-L15 PolarHBondContact O-N 2.87Å; E13-L15 PolarHBondContact O-N 3.26Å; L15-T19 WeakPolarHBondContact O-CB 3.23Å; L15-T19 PolarHBondContact O-N 2.87Å; L15-T19 PolarHBondContact O-OG1 3.09Å; L15-Y50 HydrophobicContact CD2-CD1 4.31Å; L15-L52 HydrophobicContact CB-CD2 4.38Å
16M83.9Confident81.2Confident40 Ų4073.1 Ų73.120%0.19739%0.388CS..Hα-helixtrans-64.5-46.6175.6-172.763.173.400111.4K12 E13 E14 T19 V20 L52 P56K12-M16 PolarHBondContact O-N 2.95Å; K12-M16 VanDerWaalsContact O-N 3.09Å; E13-M16 WeakPolarHBondContact O-CB 3.36Å; E13-M16 PolarHBondContact O-N 3.31Å; E13-M16 VanDerWaalsContact O-N 3.13Å; E14-M16 VanDerWaalsContact C-N 3.28Å; E14-M16 PolarHBondContact O-N 3.02Å; M16-T19 PolarHBondContact O-N 2.97Å; M16-V20 HydrophobicContact CG-CG2 4.45Å; M16-V20 WeakPolarHBondContact O-CB 3.32Å; M16-V20 VanDerWaalsContact O-CG2 3.27Å; M16-V20 WeakPolarHBondContact O-CG2 3.45Å; M16-V20 PolarHBondContact O-N 3.47Å; M16-V20 HydrophobicContact SD-CG2 4.35Å; M16-L52 HydrophobicContact CE-CD1 4.34Å; M16-L52 HydrophobicContact CE-CD2 3.89Å; M16-L52 HydrophobicContact SD-CD1 4.12Å; M16-P56 HydrophobicContact SD-CB 3.72Å
17V85.8Confident82.5Confident100 Ų10064.6 Ų64.661%0.60635%0.351SS*.Hα-helixtrans-61.4-45.8178.6173.30000111.2E13 E14 T19 V20 S21E13-V17 WeakPolarHBondContact O-CG2 3.25Å; E13-V17 PolarHBondContact O-N 3.04Å; E14-V17 PolarHBondContact O-N 2.94Å; V17-T19 PolarHBondContact O-N 3.43Å; V17-V20 PolarHBondContact O-N 3.33Å; V17-S21 WeakPolarHBondContact O-CB 3.37Å; V17-S21 PolarHBondContact O-N 2.96Å
18L86.2Confident83.4Confident70 Ų7062.6 Ų62.637%0.36634%0.341SS..Hα-helixtrans-61.5-43.7177.3-71.3171.6000112.2I7 E14 S21 E22 Y50I7-L18 HydrophobicContact CD1-CD1 3.58Å; E14-L18 WeakPolarHBondContact O-CG 3.41Å; E14-L18 PolarHBondContact O-N 3.39Å; L18-S21 PolarHBondContact O-N 2.71Å; L18-E22 PolarHBondContact O-N 3.27Å; L18-Y50 HydrophobicContact CB-CD1 4.46Å; L18-Y50 HydrophobicContact CB-CE1 3.96Å; L18-Y50 HydrophobicContact CD1-CE1 4.3Å
19T86.4Confident84.4Confident0 Ų062.8 Ų62.80%033%0.33CS..Hα-helixtrans-62.2-47.2177.9-60.10000110.9L15 M16 V17 E22 I23 I46 Y50 L52 P56L15-T19 WeakPolarHBondContact O-CB 3.23Å; L15-T19 PolarHBondContact O-N 2.87Å; L15-T19 PolarHBondContact O-OG1 3.09Å; M16-T19 PolarHBondContact O-N 2.97Å; V17-T19 PolarHBondContact O-N 3.43Å; T19-E22 PolarHBondContact O-N 3.4Å; T19-I23 HydrophobicContact CG2-CD1 3.92Å; T19-I23 WeakPolarHBondContact O-CD1 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.24Å; T19-I23 WeakPolarHBondContact O-CG1 3.27Å; T19-I23 PolarHBondContact O-N 3.5Å; T19-I46 HydrophobicContact CG2-CB 4.44Å; T19-I46 HydrophobicContact CG2-CG2 3.78Å; T19-Y50 WeakPolarHBondContact OG1-CB 3.34Å; T19-Y50 WeakPolarHBondContact OG1-CD2 3.35Å; T19-L52 HydrophobicContact CG2-CD1 3.59Å; T19-L52 WeakPolarHBondContact OG1-CD1 3.49Å; T19-P56 HydrophobicContact CG2-CG 4.38Å
20V86.8Confident85.2Confident7 Ų755 Ų554%0.04229%0.289CS..Hα-helixtrans-63.6-44.3179.1167.80000110.9M16 V17 E22 I23 I24 P56 L61 A64M16-V20 HydrophobicContact CG-CG2 4.45Å; M16-V20 WeakPolarHBondContact O-CB 3.32Å; M16-V20 VanDerWaalsContact O-CG2 3.27Å; M16-V20 WeakPolarHBondContact O-CG2 3.45Å; M16-V20 PolarHBondContact O-N 3.47Å; M16-V20 HydrophobicContact SD-CG2 4.35Å; V17-V20 PolarHBondContact O-N 3.33Å; V20-E22 PolarHBondContact O-N 3.27Å; V20-I23 PolarHBondContact O-N 3.15Å; V20-I24 HydrophobicContact CG1-CD1 3.89Å; V20-I24 WeakPolarHBondContact O-CG1 3.43Å; V20-I24 PolarHBondContact O-N 3.42Å; V20-P56 HydrophobicContact CG2-CB 3.78Å; V20-P56 HydrophobicContact CG2-CG 4.34Å; V20-L61 HydrophobicContact CB-CD2 4.42Å; V20-L61 HydrophobicContact CG1-CD2 4.08Å; V20-L61 HydrophobicContact CG2-CD2 4.18Å; V20-A64 HydrophobicContact CG1-CB 3.25Å
21S87Confident85.5Confident69 Ų6956 Ų5648%0.48329%0.29SS..Hα-helixtrans-59.7-45.7176.7-1710000111.7V17 L18 I23 I24 S25V17-S21 WeakPolarHBondContact O-CB 3.37Å; V17-S21 PolarHBondContact O-N 2.96Å; L18-S21 PolarHBondContact O-N 2.71Å; S21-I23 PolarHBondContact O-N 3.36Å; S21-I24 PolarHBondContact O-N 2.88Å; S21-S25 PolarHBondContact O-N 2.92Å; S21-S25 PolarHBondContact O-OG 3.47Å
22E89.2Confident85.6Confident35 Ų3560.1 Ų60.116%0.16431%0.305CS..Hα-helixtrans-65.9-38.7178.8-173.2173.8152.900111.7L18 T19 V20 I24 S25 H26 I46 K49 Y50L18-E22 PolarHBondContact O-N 3.27Å; T19-E22 PolarHBondContact O-N 3.4Å; V20-E22 PolarHBondContact O-N 3.27Å; E22-I24 VanDerWaalsContact C-N 3.35Å; E22-I24 PolarHBondContact O-N 3.32Å; E22-S25 PolarHBondContact O-N 3.27Å; E22-H26 PolarHBondContact O-CD2 3.11Å; E22-H26 VanDerWaalsContact O-CD2 3.29Å; E22-H26 PolarHBondContact O-N 3.44Å; E22-H26 IonicContact OE1-NE2 3.1Å; E22-I46 HydrophobicContact CB-CG2 4.09Å; E22-I46 HydrophobicContact CG-CD1 4.17Å; E22-I46 HydrophobicContact CG-CG2 4.25Å; E22-K49 IonicContact OE1-NZ 3.99Å; E22-K49 PolarHBondContact OE1-NZ 3.17Å; E22-K49 IonicContact OE2-NZ 2.87Å; E22-K49 PolarHBondContact OE2-NZ 2.98Å; E22-Y50 HydrophobicContact CB-CE2 4.36Å; E22-Y50 WeakPolarHBondContact OE2-CE2 3.12Å; E22-Y50 PolarHBondContact OE2-OH 2.75Å
23I88.1Confident85.8Confident0 Ų058 Ų580%030%0.297CS..Hα-helixtrans-59-47.1173.4-70161.9000110.4T19 V20 S21 H26 L27 L39 L42 K43 I46 P56 L61T19-I23 HydrophobicContact CG2-CD1 3.92Å; T19-I23 WeakPolarHBondContact O-CD1 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.24Å; T19-I23 WeakPolarHBondContact O-CG1 3.27Å; T19-I23 PolarHBondContact O-N 3.5Å; V20-I23 PolarHBondContact O-N 3.15Å; S21-I23 PolarHBondContact O-N 3.36Å; I23-H26 PolarHBondContact O-N 2.91Å; I23-L27 HydrophobicContact CG2-CD1 3.93Å; I23-L27 HydrophobicContact CG2-CG 4.39Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 3Å; I23-L39 HydrophobicContact CG2-CD1 4.46Å; I23-L42 HydrophobicContact CG2-CD2 3.97Å; I23-L42 HydrophobicContact CG2-CG 4.5Å; I23-K43 HydrophobicContact CD1-CG 4.16Å; I23-I46 HydrophobicContact CB-CD1 4.24Å; I23-I46 HydrophobicContact CD1-CB 4.48Å; I23-I46 HydrophobicContact CG1-CB 3.97Å; I23-I46 HydrophobicContact CG1-CD1 3.52Å; I23-I46 HydrophobicContact CG1-CG1 4.28Å; I23-I46 HydrophobicContact CG1-CG2 4.08Å; I23-P56 HydrophobicContact CD1-CG 3.61Å; I23-L61 HydrophobicContact CB-CD2 4.02Å; I23-L61 HydrophobicContact CD1-CD2 3.95Å; I23-L61 HydrophobicContact CG2-CD1 4.36Å; I23-L61 HydrophobicContact CG2-CD2 3.65Å
24I86.5Confident85.7Confident9 Ų960.3 Ų60.35%0.04631%0.305CS..Hα-helixtrans-62.9-44.9-179.3-69.9170.5000111V20 S21 E22 H26 L27 L28 A64 V65 L73V20-I24 HydrophobicContact CG1-CD1 3.89Å; V20-I24 WeakPolarHBondContact O-CG1 3.43Å; V20-I24 PolarHBondContact O-N 3.42Å; S21-I24 PolarHBondContact O-N 2.88Å; E22-I24 VanDerWaalsContact C-N 3.35Å; E22-I24 PolarHBondContact O-N 3.32Å; I24-H26 VanDerWaalsContact C-N 3.31Å; I24-H26 PolarHBondContact O-N 3.4Å; I24-L27 PolarHBondContact O-N 3.34Å; I24-L27 VanDerWaalsContact O-N 3.15Å; I24-L28 HydrophobicContact CG2-CD1 4.17Å; I24-L28 HydrophobicContact CG2-CG 4.49Å; I24-L28 WeakPolarHBondContact O-CG 3.46Å; I24-L28 PolarHBondContact O-N 3.12Å; I24-A64 VanDerWaalsContact CD1-C 3.43Å; I24-A64 HydrophobicContact CD1-CB 3.55Å; I24-A64 WeakPolarHBondContact CD1-O 3.43Å; I24-V65 HydrophobicContact CD1-CG2 4.47Å; I24-L73 HydrophobicContact CG2-CD1 3.97Å
25S87.5Confident85.6Confident69 Ų6961.6 Ų61.648%0.48331%0.306SS..Hα-helixtrans-59.3-40.7176.2-59.30000112.3S21 E22 L28 K29S21-S25 PolarHBondContact O-N 2.92Å; S21-S25 PolarHBondContact O-OG 3.47Å; E22-S25 PolarHBondContact O-N 3.27Å; S25-L28 PolarHBondContact O-N 3.43Å; S25-K29 PolarHBondContact O-N 3.05Å; S25-K29 VanDerWaalsContact O-N 3.11Å
26H87.7Confident85.1Confident75 Ų7567.7 Ų67.735%0.34734%0.338SS..Hα-helixtrans-66-37.2175.2-88.7-70.7000113.2E22 I23 I24 A30 L42E22-H26 PolarHBondContact O-CD2 3.11Å; E22-H26 VanDerWaalsContact O-CD2 3.29Å; E22-H26 PolarHBondContact O-N 3.44Å; E22-H26 IonicContact OE1-NE2 3.1Å; I23-H26 PolarHBondContact O-N 2.91Å; I24-H26 VanDerWaalsContact C-N 3.31Å; I24-H26 PolarHBondContact O-N 3.4Å; H26-A30 WeakPolarHBondContact O-CB 3.34Å; H26-A30 PolarHBondContact O-N 3.23Å; H26-L42 HydrophobicContact CB-CD1 4.05Å; H26-L42 HydrophobicContact CB-CD2 4.04Å
27L86.4Confident84.9Confident18 Ų1867.9 Ų67.99%0.09434%0.341CS..Hα-helixtrans-68-41.6176.7-69.8170.6000111.6I23 I24 A30 I31 V37 L39 L42 L73 L77I23-L27 HydrophobicContact CG2-CD1 3.93Å; I23-L27 HydrophobicContact CG2-CG 4.39Å; I23-L27 WeakPolarHBondContact O-CG 3.37Å; I23-L27 PolarHBondContact O-N 3Å; I24-L27 PolarHBondContact O-N 3.34Å; I24-L27 VanDerWaalsContact O-N 3.15Å; L27-A30 PolarHBondContact O-N 3.37Å; L27-I31 WeakPolarHBondContact O-CG1 3.32Å; L27-I31 PolarHBondContact O-N 2.93Å; L27-V37 HydrophobicContact CD2-CB 4.39Å; L27-V37 HydrophobicContact CD2-CG1 4.15Å; L27-L39 HydrophobicContact CD1-CD1 3.97Å; L27-L39 HydrophobicContact CD2-CD1 4.13Å; L27-L42 HydrophobicContact CD2-CD2 3.91Å; L27-L42 HydrophobicContact CG-CD2 3.95Å; L27-L73 HydrophobicContact CB-CD2 3.6Å; L27-L77 HydrophobicContact CD1-CD2 3.85Å
28L85.8Confident84.7Confident26 Ų2667.7 Ų67.714%0.13634%0.337CS..Hα-helixtrans-59.5-51.4175.9-73.4172.1000111.5I24 S25 A30 I31 E32 H69 L73I24-L28 HydrophobicContact CG2-CD1 4.17Å; I24-L28 HydrophobicContact CG2-CG 4.49Å; I24-L28 WeakPolarHBondContact O-CG 3.46Å; I24-L28 PolarHBondContact O-N 3.12Å; S25-L28 PolarHBondContact O-N 3.43Å; L28-A30 VanDerWaalsContact C-N 3.27Å; L28-A30 PolarHBondContact O-N 2.81Å; L28-I31 PolarHBondContact O-N 2.89Å; L28-I31 VanDerWaalsContact O-N 3.11Å; L28-E32 PolarHBondContact O-N 3.23Å; L28-H69 HydrophobicContact CD2-CB 3.78Å; L28-L73 HydrophobicContact CD1-CD1 4.44Å; L28-L73 HydrophobicContact CD2-CD1 3.46Å; L28-L73 VanDerWaalsContact CD2-CD1 3.46Å; L28-L73 HydrophobicContact CD2-CD2 4.17Å; L28-L73 HydrophobicContact CD2-CG 3.7Å; L28-L73 HydrophobicContact CG-CD1 3.8Å; L28-L73 HydrophobicContact CG-CD2 4.46Å; L28-L73 HydrophobicContact CG-CG 4.35Å
29K87.6Confident84.6Confident117 Ų11766.1 Ų66.151%0.50933%0.329SS..Hα-helixtrans-58.2-40.9177.8-177.4169.9177.5170.90112.1S25 I31 E32 E33S25-K29 PolarHBondContact O-N 3.05Å; S25-K29 VanDerWaalsContact O-N 3.11Å; K29-I31 VanDerWaalsContact C-N 3.35Å; K29-I31 PolarHBondContact O-N 3.34Å; K29-E32 PolarHBondContact O-N 3.08Å; K29-E33 WeakPolarHBondContact CE-OE1 3.26Å; K29-E33 HydrophobicContact CG-CG 4.47Å; K29-E33 WeakPolarHBondContact CG-OE1 3.46Å; K29-E33 IonicContact NZ-OE1 3.9Å; K29-E33 WeakPolarHBondContact O-CB 3.3Å; K29-E33 VanDerWaalsContact O-CG 3.25Å; K29-E33 WeakPolarHBondContact O-CG 3.38Å; K29-E33 PolarHBondContact O-N 3.03Å
30A86.2Confident84.4Confident2 Ų271.1 Ų71.12%0.01736%0.356CS..Hα-helixtrans-67.2-34.3178.300000113.4H26 L27 L28 E33 K34 R35 V37H26-A30 WeakPolarHBondContact O-CB 3.34Å; H26-A30 PolarHBondContact O-N 3.23Å; L27-A30 PolarHBondContact O-N 3.37Å; L28-A30 VanDerWaalsContact C-N 3.27Å; L28-A30 PolarHBondContact O-N 2.81Å; A30-E33 CarbonylContact O-C 3.5Å; A30-E33 PolarHBondContact O-N 3.48Å; A30-K34 PolarHBondContact O-N 2.87Å; A30-R35 PolarHBondContact O-N 2.94Å; A30-V37 HydrophobicContact CB-CG2 3.23Å
31I81.5Confident84.4Confident47 Ų4777.7 Ų77.724%0.24138%0.383CS..Hα-helixtrans-69.1-42.3175.6-67.2169.8000110.8L27 L28 K29 E33 K34 V72 L73L27-I31 WeakPolarHBondContact O-CG1 3.32Å; L27-I31 PolarHBondContact O-N 2.93Å; L28-I31 PolarHBondContact O-N 2.89Å; L28-I31 VanDerWaalsContact O-N 3.11Å; K29-I31 VanDerWaalsContact C-N 3.35Å; K29-I31 PolarHBondContact O-N 3.34Å; I31-E33 VanDerWaalsContact C-N 3.27Å; I31-E33 PolarHBondContact O-N 3.19Å; I31-K34 PolarHBondContact O-N 3.27Å; I31-K34 VanDerWaalsContact O-N 3.07Å; I31-V72 HydrophobicContact CB-CG1 4.4Å; I31-V72 HydrophobicContact CD1-CG1 3.99Å; I31-V72 HydrophobicContact CG2-CG1 3.54Å; I31-L73 HydrophobicContact CD1-CD2 3.57Å; I31-L73 HydrophobicContact CD1-CG 4.26Å
32E83.4Confident84.3Confident153 Ų15375.6 Ų75.672%0.71537%0.367SS*.Hα-helixtrans-58.9-41.1173.2-71173.4-176.800111.5L28 K29 K34L28-E32 PolarHBondContact O-N 3.23Å; K29-E32 PolarHBondContact O-N 3.08Å; E32-K34 VanDerWaalsContact C-N 3.27Å; E32-K34 PolarHBondContact O-N 2.88Å
33E86.4Confident84.2Confident100 Ų10075 Ų7547%0.46736%0.364SS..THydrogen-bonded Turntrans-78.3-3176.3-68.7172.317600114.1K29 A30 I31 R35K29-E33 WeakPolarHBondContact CE-OE1 3.26Å; K29-E33 HydrophobicContact CG-CG 4.47Å; K29-E33 WeakPolarHBondContact CG-OE1 3.46Å; K29-E33 IonicContact NZ-OE1 3.9Å; K29-E33 WeakPolarHBondContact O-CB 3.3Å; K29-E33 VanDerWaalsContact O-CG 3.25Å; K29-E33 WeakPolarHBondContact O-CG 3.38Å; K29-E33 PolarHBondContact O-N 3.03Å; A30-E33 CarbonylContact O-C 3.5Å; A30-E33 PolarHBondContact O-N 3.48Å; I31-E33 VanDerWaalsContact C-N 3.27Å; I31-E33 PolarHBondContact O-N 3.19Å; E33-R35 HydrophobicContact CB-CB 4.35Å; E33-R35 PolarHBondContact O-N 2.71Å; E33-R35 IonicContact OE2-NE 3.58Å
34K79Confident84.1Confident196 Ų19677.8 Ų77.885%0.85238%0.383SS*.THydrogen-bonded Turntrans50.637-172.6-60.2-179-179.5176.30113.8A30 I31 E32A30-K34 PolarHBondContact O-N 2.87Å; I31-K34 PolarHBondContact O-N 3.27Å; I31-K34 VanDerWaalsContact O-N 3.07Å; E32-K34 VanDerWaalsContact C-N 3.27Å; E32-K34 PolarHBondContact O-N 2.88Å
35R80.7Confident84.2Confident131 Ų13181.6 Ų81.649%0.49441%0.407SS..  trans-100.6131-178.4-174173.362.980.12.6111A30 E33A30-R35 PolarHBondContact O-N 2.94Å; E33-R35 HydrophobicContact CB-CB 4.35Å; E33-R35 PolarHBondContact O-N 2.71Å; E33-R35 IonicContact OE2-NE 3.58Å
36D75.9Confident84.1Confident158 Ų15878.5 Ų78.585%0.84539%0.385SS*.  trans-67.9134.5172.5-84.6-29.8000111.3
37V79Confident84.1Confident43 Ų4375.1 Ų75.126%0.26137%0.37SS..  trans-124.4122.1-179.3-179.40000109.8L27 A30 L39 L42L27-V37 HydrophobicContact CD2-CB 4.39Å; L27-V37 HydrophobicContact CD2-CG1 4.15Å; A30-V37 HydrophobicContact CB-CG2 3.23Å; V37-L39 PolarHBondContact O-N 2.98Å; V37-L39 VanDerWaalsContact O-N 3.1Å; V37-L42 HydrophobicContact CG1-CB 4.11Å; V37-L42 HydrophobicContact CG1-CD2 3.91Å
38D82.3Confident84.1Confident96 Ų9677.8 Ų77.851%0.51339%0.39SS..  trans-70.8104.2164.4179.8-14.2000109.3N40 K41 L42D38-N40 VanDerWaalsContact C-N 3.28Å; D38-N40 PolarHBondContact O-N 3.39Å; D38-N40 WeakPolarHBondContact OD1-CA 3.46Å; D38-N40 WeakPolarHBondContact OD1-CB 3.23Å; D38-N40 PolarHBondContact OD1-N 3.12Å; D38-K41 HydrophobicContact CB-CB 3.85Å; D38-K41 PolarHBondContact O-N 2.86Å; D38-K41 PolarHBondContact OD1-N 2.79Å; D38-L42 WeakPolarHBondContact O-CB 3.43Å; D38-L42 PolarHBondContact O-N 2.83Å
39L83.1Confident84.1Confident37 Ų3779.2 Ų79.219%0.19440%0.395CS..Hα-helixtrans-60.1-36.7179.9-175.465.2000112.2I23 L27 V37 L42 K43 L58 L61 L77I23-L39 HydrophobicContact CG2-CD1 4.46Å; L27-L39 HydrophobicContact CD1-CD1 3.97Å; L27-L39 HydrophobicContact CD2-CD1 4.13Å; V37-L39 PolarHBondContact O-N 2.98Å; V37-L39 VanDerWaalsContact O-N 3.1Å; L39-L42 PolarHBondContact O-N 3.47Å; L39-K43 HydrophobicContact CD1-CD 4.42Å; L39-K43 HydrophobicContact CD1-CG 4.38Å; L39-K43 HydrophobicContact CG-CD 3.98Å; L39-K43 HydrophobicContact CG-CG 4.38Å; L39-K43 WeakPolarHBondContact O-CB 3.48Å; L39-K43 WeakPolarHBondContact O-CD 3.25Å; L39-K43 WeakPolarHBondContact O-CG 3.35Å; L39-K43 PolarHBondContact O-N 3.23Å; L39-L58 HydrophobicContact CD2-CD1 3.92Å; L39-L61 HydrophobicContact CD1-CD1 4.09Å; L39-L61 HydrophobicContact CD2-CD1 4.44Å; L39-L77 HydrophobicContact CD1-CD2 4.14Å; L39-L77 HydrophobicContact CD2-CD2 3.91Å
40N83.3Confident84Confident106 Ų10674.7 Ų74.757%0.56738%0.375SS*.Hα-helixtrans-70.3-41.5-179.4-71.6-32.6000110.9D38 K43 S44D38-N40 VanDerWaalsContact C-N 3.28Å; D38-N40 PolarHBondContact O-N 3.39Å; D38-N40 WeakPolarHBondContact OD1-CA 3.46Å; D38-N40 WeakPolarHBondContact OD1-CB 3.23Å; D38-N40 PolarHBondContact OD1-N 3.12Å; N40-K43 PolarHBondContact O-N 3.36Å; N40-S44 WeakPolarHBondContact O-CB 3.33Å; N40-S44 PolarHBondContact O-N 3.1Å
41K85Confident83.8Confident144 Ų14477 Ų7763%0.62640%0.399SS*.Hα-helixtrans-62.9-45.6173.5-170.2176.1-177.2177.40111.3D38 S44 V45D38-K41 HydrophobicContact CB-CB 3.85Å; D38-K41 PolarHBondContact O-N 2.86Å; D38-K41 PolarHBondContact OD1-N 2.79Å; K41-S44 WeakPolarHBondContact O-CB 3.37Å; K41-S44 PolarHBondContact O-N 3.04Å; K41-V45 WeakPolarHBondContact O-CG2 3.35Å; K41-V45 PolarHBondContact O-N 3.25Å
42L86.3Confident83.8Confident26 Ų2675.9 Ų75.914%0.13639%0.393CS..Hα-helixtrans-59.9-48.1177.7-176.665.7000111.6I23 H26 L27 V37 D38 L39 S44 V45 I46I23-L42 HydrophobicContact CG2-CD2 3.97Å; I23-L42 HydrophobicContact CG2-CG 4.5Å; H26-L42 HydrophobicContact CB-CD1 4.05Å; H26-L42 HydrophobicContact CB-CD2 4.04Å; L27-L42 HydrophobicContact CD2-CD2 3.91Å; L27-L42 HydrophobicContact CG-CD2 3.95Å; V37-L42 HydrophobicContact CG1-CB 4.11Å; V37-L42 HydrophobicContact CG1-CD2 3.91Å; D38-L42 WeakPolarHBondContact O-CB 3.43Å; D38-L42 PolarHBondContact O-N 2.83Å; L39-L42 PolarHBondContact O-N 3.47Å; L42-S44 VanDerWaalsContact C-N 3.31Å; L42-S44 PolarHBondContact O-N 3.17Å; L42-V45 PolarHBondContact O-N 3.25Å; L42-I46 HydrophobicContact CD1-CD1 3.52Å; L42-I46 HydrophobicContact CD1-CG1 4.18Å; L42-I46 HydrophobicContact CG-CD1 3.88Å; L42-I46 WeakPolarHBondContact O-CG1 3.35Å; L42-I46 PolarHBondContact O-N 3.14Å
43K86.3Confident83.7Confident21 Ų2173.6 Ų73.69%0.09140%0.401CS..Hα-helixtrans-57.7-44.1175.9-74170.469-176.70111.6I23 L39 N40 S47 P56 L61I23-K43 HydrophobicContact CD1-CG 4.16Å; L39-K43 HydrophobicContact CD1-CD 4.42Å; L39-K43 HydrophobicContact CD1-CG 4.38Å; L39-K43 HydrophobicContact CG-CD 3.98Å; L39-K43 HydrophobicContact CG-CG 4.38Å; L39-K43 WeakPolarHBondContact O-CB 3.48Å; L39-K43 WeakPolarHBondContact O-CD 3.25Å; L39-K43 WeakPolarHBondContact O-CG 3.35Å; L39-K43 PolarHBondContact O-N 3.23Å; N40-K43 PolarHBondContact O-N 3.36Å; K43-S47 WeakPolarHBondContact O-CB 3.18Å; K43-S47 PolarHBondContact O-N 3.28Å; K43-S47 PolarHBondContact O-OG 3.14Å; K43-P56 WeakPolarHBondContact CE-O 3.42Å; K43-P56 PolarHBondContact NZ-O 3.41Å; K43-L61 HydrophobicContact CD-CD1 4.01Å; K43-L61 HydrophobicContact CG-CD1 4.25Å
44S86.3Confident83.5Confident59 Ų5971.8 Ų71.841%0.41340%0.399SS..Hα-helixtrans-62.3-48.9179.4-170.70000112N40 K41 L42 S48N40-S44 WeakPolarHBondContact O-CB 3.33Å; N40-S44 PolarHBondContact O-N 3.1Å; K41-S44 WeakPolarHBondContact O-CB 3.37Å; K41-S44 PolarHBondContact O-N 3.04Å; L42-S44 VanDerWaalsContact C-N 3.31Å; L42-S44 PolarHBondContact O-N 3.17Å; S44-S48 WeakPolarHBondContact O-CB 3.37Å; S44-S48 PolarHBondContact O-N 3.08Å
45V88Confident83.7Confident89 Ų8966.6 Ų66.654%0.53938%0.378SS..Hα-helixtrans-62.4-48.7-178.5172.10000111.4K41 L42 S48 K49K41-V45 WeakPolarHBondContact O-CG2 3.35Å; K41-V45 PolarHBondContact O-N 3.25Å; L42-V45 PolarHBondContact O-N 3.25Å; V45-S48 PolarHBondContact O-N 3.48Å; V45-K49 PolarHBondContact O-N 3.43Å
46I86.6Confident83.8Confident4 Ų460.4 Ų60.42%0.02136%0.355CS..Hα-helixtrans-72.7-38.4-176.7-59.5175.9000110.8T19 E22 I23 L42 S48 K49 Y50T19-I46 HydrophobicContact CG2-CB 4.44Å; T19-I46 HydrophobicContact CG2-CG2 3.78Å; E22-I46 HydrophobicContact CB-CG2 4.09Å; E22-I46 HydrophobicContact CG-CD1 4.17Å; E22-I46 HydrophobicContact CG-CG2 4.25Å; I23-I46 HydrophobicContact CB-CD1 4.24Å; I23-I46 HydrophobicContact CD1-CB 4.48Å; I23-I46 HydrophobicContact CG1-CB 3.97Å; I23-I46 HydrophobicContact CG1-CD1 3.52Å; I23-I46 HydrophobicContact CG1-CG1 4.28Å; I23-I46 HydrophobicContact CG1-CG2 4.08Å; L42-I46 HydrophobicContact CD1-CD1 3.52Å; L42-I46 HydrophobicContact CD1-CG1 4.18Å; L42-I46 HydrophobicContact CG-CD1 3.88Å; L42-I46 WeakPolarHBondContact O-CG1 3.35Å; L42-I46 PolarHBondContact O-N 3.14Å; I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 PolarHBondContact O-N 3.29Å; I46-K49 WeakPolarHBondContact O-CB 3.22Å; I46-K49 PolarHBondContact O-N 3.07Å; I46-Y50 HydrophobicContact CG2-CD2 3.92Å; I46-Y50 HydrophobicContact CG2-CE2 3.94Å; I46-Y50 WeakPolarHBondContact O-CD2 3.47Å; I46-Y50 PolarHBondContact O-N 3.09Å
47S87.3Confident84.1Confident5 Ų560.8 Ų60.84%0.03534%0.344CS..Hα-helixtrans-61.1-40174.6-56.30000111.6K43 Y50 G51 L52 P56K43-S47 WeakPolarHBondContact O-CB 3.18Å; K43-S47 PolarHBondContact O-N 3.28Å; K43-S47 PolarHBondContact O-OG 3.14Å; S47-Y50 PolarHBondContact O-N 3.1Å; S47-G51 PolarHBondContact O-N 2.64Å; S47-G51 VanDerWaalsContact O-N 3.09Å; S47-L52 PolarHBondContact O-N 3.27Å; S47-P56 VanDerWaalsContact OG-CD 3.22Å; S47-P56 WeakPolarHBondContact OG-CD 3.23Å
48S87Confident84.2Confident73 Ų7360.6 Ų60.651%0.5134%0.342SS..Hα-helixtrans-66.1-40.1175.8-1730000112.2S44 V45 I46 Y50 G51S44-S48 WeakPolarHBondContact O-CB 3.37Å; S44-S48 PolarHBondContact O-N 3.08Å; V45-S48 PolarHBondContact O-N 3.48Å; I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 PolarHBondContact O-N 3.29Å; S48-Y50 VanDerWaalsContact C-N 3.28Å; S48-Y50 PolarHBondContact O-N 3.33Å; S48-G51 PolarHBondContact O-N 2.88Å; S48-G51 VanDerWaalsContact O-N 3.13Å
49K85.8Confident84Confident57 Ų5757.6 Ų57.625%0.24833%0.327CS..Hα-helixtrans-57.1-39.4176.9-175.1-169.2-179.9-167.40112.4A4 R5 E22 V45 I46A4-K49 CarbonylContact C-O 3.58Å; A4-K49 WeakPolarHBondContact CA-O 3.34Å; R5-K49 PolarHBondContact N-O 2.9Å; E22-K49 IonicContact OE1-NZ 3.99Å; E22-K49 PolarHBondContact OE1-NZ 3.17Å; E22-K49 IonicContact OE2-NZ 2.87Å; E22-K49 PolarHBondContact OE2-NZ 2.98Å; V45-K49 PolarHBondContact O-N 3.43Å; I46-K49 WeakPolarHBondContact O-CB 3.22Å; I46-K49 PolarHBondContact O-N 3.07Å
50Y85Confident83.9Confident21 Ų2157.9 Ų57.98%0.08233%0.329CS..THydrogen-bonded Turntrans-93.1-1.1179.1-73.7-78.2000114.3I7 L15 L18 T19 E22 I46 S47 S48I7-Y50 HydrophobicContact CD1-CD1 4.21Å; I7-Y50 HydrophobicContact CD1-CE1 3.97Å; L15-Y50 HydrophobicContact CD2-CD1 4.31Å; L18-Y50 HydrophobicContact CB-CD1 4.46Å; L18-Y50 HydrophobicContact CB-CE1 3.96Å; L18-Y50 HydrophobicContact CD1-CE1 4.3Å; T19-Y50 WeakPolarHBondContact OG1-CB 3.34Å; T19-Y50 WeakPolarHBondContact OG1-CD2 3.35Å; E22-Y50 HydrophobicContact CB-CE2 4.36Å; E22-Y50 WeakPolarHBondContact OE2-CE2 3.12Å; E22-Y50 PolarHBondContact OE2-OH 2.75Å; I46-Y50 HydrophobicContact CG2-CD2 3.92Å; I46-Y50 HydrophobicContact CG2-CE2 3.94Å; I46-Y50 WeakPolarHBondContact O-CD2 3.47Å; I46-Y50 PolarHBondContact O-N 3.09Å; S47-Y50 PolarHBondContact O-N 3.1Å; S48-Y50 VanDerWaalsContact C-N 3.28Å; S48-Y50 PolarHBondContact O-N 3.33Å
51G82.3Confident83.9Confident52 Ų5252.9 Ų52.954%0.53630%0.302SS..THydrogen-bonded Turntrans70.527178.900000114.4S47 S48S47-G51 PolarHBondContact O-N 2.64Å; S47-G51 VanDerWaalsContact O-N 3.09Å; S48-G51 PolarHBondContact O-N 2.88Å; S48-G51 VanDerWaalsContact O-N 3.13Å
52L81.7Confident83.7Confident22 Ų2246.3 Ų46.312%0.11527%0.273CS..  trans-70.7133.5175.2-83165.4000111.1L15 M16 T19 S47 S54L15-L52 HydrophobicContact CB-CD2 4.38Å; M16-L52 HydrophobicContact CE-CD1 4.34Å; M16-L52 HydrophobicContact CE-CD2 3.89Å; M16-L52 HydrophobicContact SD-CD1 4.12Å; T19-L52 HydrophobicContact CG2-CD1 3.59Å; T19-L52 WeakPolarHBondContact OG1-CD1 3.49Å; S47-L52 PolarHBondContact O-N 3.27Å; L52-S54 PolarHBondContact O-N 2.76Å
53A80.3Confident83.4Confident105 Ų10548.6 Ų48.687%0.86830%0.296SS*.SBendtrans-68-23.8176.500000113.5
54S82.3Confident83.2Confident63 Ų6349.9 Ų49.944%0.44131%0.31SS..SBendtrans-140.3144.8-178.160.70000110.4L52L52-S54 PolarHBondContact O-N 2.76Å
55Q83.8Confident83.1Confident86 Ų8647.3 Ų47.340%0.40229%0.293SS..PPolyproline II helixtrans-66.4145.7174.9-62.4179.20.500111.2
56P82.2Confident82.7Confident1 Ų145.3 Ų45.31%0.00628%0.281CS..PPolyproline II helixtrans-57.8143.7172.920.2-28.7000110.2M16 T19 V20 I23 K43 S47 L61M16-P56 HydrophobicContact SD-CB 3.72Å; T19-P56 HydrophobicContact CG2-CG 4.38Å; V20-P56 HydrophobicContact CG2-CB 3.78Å; V20-P56 HydrophobicContact CG2-CG 4.34Å; I23-P56 HydrophobicContact CD1-CG 3.61Å; K43-P56 WeakPolarHBondContact CE-O 3.42Å; K43-P56 PolarHBondContact NZ-O 3.41Å; S47-P56 VanDerWaalsContact OG-CD 3.22Å; S47-P56 WeakPolarHBondContact OG-CD 3.23Å; P56-L61 HydrophobicContact CG-CD2 4.39Å
57R82.7Confident82.4Confident167 Ų16750.6 Ų50.663%0.6331%0.314SS*.PPolyproline II helixtrans-76.1158.4175.2-55.7168-62.6175.55.6108.6V59 D60 L61R57-V59 PolarHBondContact O-N 2.97Å; R57-D60 WeakPolarHBondContact CA-OD2 3.46Å; R57-D60 WeakPolarHBondContact CB-OD2 3.37Å; R57-D60 IonicContact CZ-OD1 3.33Å; R57-D60 IonicContact CZ-OD2 3.92Å; R57-D60 PolarHBondContact N-OD2 3.12Å; R57-D60 IonicContact NE-OD1 3.36Å; R57-D60 IonicContact NE-OD2 2.72Å; R57-D60 PolarHBondContact NE-OD2 3.21Å; R57-D60 IonicContact NH2-OD1 2.75Å; R57-D60 PolarHBondContact NH2-OD1 3.44Å; R57-D60 IonicContact NH2-OD2 3.07Å; R57-D60 WeakPolarHBondContact O-CB 3.37Å; R57-D60 PolarHBondContact O-N 2.96Å; R57-L61 PolarHBondContact O-N 3.06Å
58L81Confident82Confident39 Ų3956.7 Ų56.720%0.20434%0.342CS..Hα-helixtrans-59.6-33.1176.8-174.861.1000112.2L39 D60 L61 I62 L77 A79L39-L58 HydrophobicContact CD2-CD1 3.92Å; L58-D60 VanDerWaalsContact C-N 3.31Å; L58-D60 PolarHBondContact O-N 3.3Å; L58-L61 HydrophobicContact CD1-CD1 4.34Å; L58-L61 WeakPolarHBondContact O-CB 3.41Å; L58-L61 PolarHBondContact O-N 3.23Å; L58-I62 HydrophobicContact CD1-CD1 4.49Å; L58-I62 HydrophobicContact CG-CD1 3.97Å; L58-I62 HydrophobicContact CG-CG1 4.48Å; L58-I62 WeakPolarHBondContact O-CG1 3.1Å; L58-I62 PolarHBondContact O-N 3.13Å; L58-L77 HydrophobicContact CD1-CB 4.41Å; L58-L77 HydrophobicContact CD1-CD2 4.17Å; L58-L77 WeakPolarHBondContact CD1-O 3.49Å; L58-L77 WeakPolarHBondContact CD2-O 2.84Å; L58-A79 HydrophobicContact CD2-CB 3.72Å
59V78.2Confident81.6Confident33 Ų3356 Ų5620%0.233%0.33CS..Hα-helixtrans-61.5-40.5174.8178.60000111.6R57 L61 I62 A63 Q158 L159R57-V59 PolarHBondContact O-N 2.97Å; V59-L61 VanDerWaalsContact C-N 3.32Å; V59-L61 PolarHBondContact O-N 2.88Å; V59-I62 PolarHBondContact O-N 3.32Å; V59-A63 VanDerWaalsContact O-CB 3.3Å; V59-A63 WeakPolarHBondContact O-CB 3.33Å; V59-A63 PolarHBondContact O-N 3.2Å; V59-Q158 HydrophobicContact CG1-CB 3.68Å; V59-Q158 HydrophobicContact CG1-CG 3.93Å; V59-Q158 HydrophobicContact CG2-CB 4.14Å; V59-L159 HydrophobicContact CG2-CD2 4.13Å
60D80.9Confident81.1Confident43 Ų4359 Ų5923%0.2334%0.34CS..Hα-helixtrans-67.1-38.1179.7-49.9-43000110.2R57 L58 A64R57-D60 WeakPolarHBondContact CA-OD2 3.46Å; R57-D60 WeakPolarHBondContact CB-OD2 3.37Å; R57-D60 IonicContact CZ-OD1 3.33Å; R57-D60 IonicContact CZ-OD2 3.92Å; R57-D60 PolarHBondContact N-OD2 3.12Å; R57-D60 IonicContact NE-OD1 3.36Å; R57-D60 IonicContact NE-OD2 2.72Å; R57-D60 PolarHBondContact NE-OD2 3.21Å; R57-D60 IonicContact NH2-OD1 2.75Å; R57-D60 PolarHBondContact NH2-OD1 3.44Å; R57-D60 IonicContact NH2-OD2 3.07Å; R57-D60 WeakPolarHBondContact O-CB 3.37Å; R57-D60 PolarHBondContact O-N 2.96Å; L58-D60 VanDerWaalsContact C-N 3.31Å; L58-D60 PolarHBondContact O-N 3.3Å; D60-A64 WeakPolarHBondContact O-CB 3.17Å; D60-A64 PolarHBondContact O-N 3.45Å
61L82.9Confident80.6Confident0 Ų064.9 Ų64.90%037%0.368CS..Hα-helixtrans-64-47.9172.9-63.9176.2000112.1V20 I23 L39 K43 P56 R57 L58 V59 A63 A64 V65V20-L61 HydrophobicContact CB-CD2 4.42Å; V20-L61 HydrophobicContact CG1-CD2 4.08Å; V20-L61 HydrophobicContact CG2-CD2 4.18Å; I23-L61 HydrophobicContact CB-CD2 4.02Å; I23-L61 HydrophobicContact CD1-CD2 3.95Å; I23-L61 HydrophobicContact CG2-CD1 4.36Å; I23-L61 HydrophobicContact CG2-CD2 3.65Å; L39-L61 HydrophobicContact CD1-CD1 4.09Å; L39-L61 HydrophobicContact CD2-CD1 4.44Å; K43-L61 HydrophobicContact CD-CD1 4.01Å; K43-L61 HydrophobicContact CG-CD1 4.25Å; P56-L61 HydrophobicContact CG-CD2 4.39Å; R57-L61 PolarHBondContact O-N 3.06Å; L58-L61 HydrophobicContact CD1-CD1 4.34Å; L58-L61 WeakPolarHBondContact O-CB 3.41Å; L58-L61 PolarHBondContact O-N 3.23Å; V59-L61 VanDerWaalsContact C-N 3.32Å; V59-L61 PolarHBondContact O-N 2.88Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 2.98Å; L61-A64 PolarHBondContact O-N 2.73Å; L61-V65 WeakPolarHBondContact O-CG2 3.37Å; L61-V65 PolarHBondContact O-N 3.09Å
62I80.5Confident80.3Confident6 Ų664.6 Ų64.63%0.03136%0.356CS..Hα-helixtrans-63.9-40-179-70.4170.3000111.3L58 V59 A64 V65 L74 L77L58-I62 HydrophobicContact CD1-CD1 4.49Å; L58-I62 HydrophobicContact CG-CD1 3.97Å; L58-I62 HydrophobicContact CG-CG1 4.48Å; L58-I62 WeakPolarHBondContact O-CG1 3.1Å; L58-I62 PolarHBondContact O-N 3.13Å; V59-I62 PolarHBondContact O-N 3.32Å; I62-A64 VanDerWaalsContact C-N 3.29Å; I62-A64 PolarHBondContact O-N 2.61Å; I62-V65 PolarHBondContact O-N 3.32Å; I62-L74 HydrophobicContact CG2-CD1 3.85Å; I62-L77 HydrophobicContact CG1-CB 4.07Å
63A79.9Confident80.1Confident75 Ų7563.6 Ų63.662%0.6235%0.351SS*.Hα-helixtrans-65.1-33179.300000112.7V59 L61V59-A63 VanDerWaalsContact O-CB 3.3Å; V59-A63 WeakPolarHBondContact O-CB 3.33Å; V59-A63 PolarHBondContact O-N 3.2Å; L61-A63 VanDerWaalsContact C-N 3.34Å; L61-A63 PolarHBondContact O-N 2.98Å
64A82.8Confident79.9Confident47 Ų4760.3 Ų60.339%0.38832%0.318SS..THydrogen-bonded Turntrans-86.9-3.5-178.800000114.5V20 I24 D60 L61 I62 P66V20-A64 HydrophobicContact CG1-CB 3.25Å; I24-A64 VanDerWaalsContact CD1-C 3.43Å; I24-A64 HydrophobicContact CD1-CB 3.55Å; I24-A64 WeakPolarHBondContact CD1-O 3.43Å; D60-A64 WeakPolarHBondContact O-CB 3.17Å; D60-A64 PolarHBondContact O-N 3.45Å; L61-A64 PolarHBondContact O-N 2.73Å; I62-A64 VanDerWaalsContact C-N 3.29Å; I62-A64 PolarHBondContact O-N 2.61Å; A64-P66 WeakPolarHBondContact O-CD 3.45Å
65V83.5Confident79.4Confident6 Ų661.2 Ų61.24%0.03632%0.323CS..SBendtrans-64.3122.3176.7-1800000110I24 L61 I62 R70 L73 L77I24-V65 HydrophobicContact CD1-CG2 4.47Å; L61-V65 WeakPolarHBondContact O-CG2 3.37Å; L61-V65 PolarHBondContact O-N 3.09Å; I62-V65 PolarHBondContact O-N 3.32Å; V65-R70 HydrophobicContact CB-CG 4.36Å; V65-R70 HydrophobicContact CG1-CB 4.43Å; V65-R70 HydrophobicContact CG1-CG 3.92Å; V65-L73 HydrophobicContact CG1-CB 4.05Å; V65-L73 HydrophobicContact CG1-CD1 3.76Å; V65-L73 HydrophobicContact CG2-CB 4.49Å; V65-L73 HydrophobicContact CG2-CD1 4.36Å; V65-L77 HydrophobicContact CG2-CD1 3.77Å
66P80.9Confident78.9Confident47 Ų4763.5 Ų63.531%0.30533%0.333SS..  trans-57.2148.8175.2-2534.7000112.3A64 E68 H69 R70A64-P66 WeakPolarHBondContact O-CD 3.45Å; P66-E68 VanDerWaalsContact C-N 3.3Å; P66-E68 HydrophobicContact CB-CG 4.2Å; P66-E68 PolarHBondContact O-N 2.98Å; P66-H69 PolarHBondContact O-N 3.48Å; P66-H69 VanDerWaalsContact O-N 3.12Å; P66-R70 PolarHBondContact O-N 3.3Å; P66-R70 VanDerWaalsContact O-N 3.11Å
67T78.3Confident78.6Confident115 Ų11563.7 Ų63.771%0.70633%0.334SS*.THydrogen-bonded Turntrans-66.6-34-173-57.40000111.6H69T67-H69 VanDerWaalsContact C-N 3.33Å; T67-H69 PolarHBondContact O-N 3.27Å
68E79.3Confident77.9Confident133 Ų13358 Ų5862%0.62131%0.314SS*.THydrogen-bonded Turntrans-61.1-37.4173.259.3-116.7-164.300113.4P66 H71P66-E68 VanDerWaalsContact C-N 3.3Å; P66-E68 HydrophobicContact CB-CG 4.2Å; P66-E68 PolarHBondContact O-N 2.98Å; E68-H71 PolarHBondContact O-CE1 3.29Å; E68-H71 PolarHBondContact O-ND1 2.99Å
69H78.7Confident77.3Confident58 Ų5857.3 Ų57.327%0.26931%0.313SS..THydrogen-bonded Turntrans-96.3-2-174.2-65.4-62.4000114.2L28 P66 T67 H71 V72 L73L28-H69 HydrophobicContact CD2-CB 3.78Å; P66-H69 PolarHBondContact O-N 3.48Å; P66-H69 VanDerWaalsContact O-N 3.12Å; T67-H69 VanDerWaalsContact C-N 3.33Å; T67-H69 PolarHBondContact O-N 3.27Å; H69-H71 VanDerWaalsContact C-N 3.26Å; H69-H71 PolarHBondContact O-N 2.8Å; H69-V72 PolarHBondContact O-N 3.04Å; H69-V72 VanDerWaalsContact O-N 3.08Å; H69-L73 HydrophobicContact CB-CD1 4.17Å; H69-L73 PolarHBondContact O-N 3.38Å
70R76Confident77Confident119 Ų11962.6 Ų62.645%0.44933%0.334SS..Hα-helixtrans-54.9-41.1-177.9-112.8-177.9179.7177.11112.8V65 P66 V72 L74V65-R70 HydrophobicContact CB-CG 4.36Å; V65-R70 HydrophobicContact CG1-CB 4.43Å; V65-R70 HydrophobicContact CG1-CG 3.92Å; P66-R70 PolarHBondContact O-N 3.3Å; P66-R70 VanDerWaalsContact O-N 3.11Å; R70-V72 PolarHBondContact O-N 2.99Å; R70-L74 WeakPolarHBondContact O-CB 3.24Å; R70-L74 PolarHBondContact O-N 3.38Å
71H73.4Confident76.5Confident145 Ų14563.3 Ų63.367%0.67134%0.341SS*.Hα-helixtrans-65-27.8-178.266.9-78.8000113.3E68 H69 P75E68-H71 PolarHBondContact O-CE1 3.29Å; E68-H71 PolarHBondContact O-ND1 2.99Å; H69-H71 VanDerWaalsContact C-N 3.26Å; H69-H71 PolarHBondContact O-N 2.8Å; H71-P75 WeakPolarHBondContact O-CD 3.32Å
72V76.8Confident76.1Confident47 Ų4765.4 Ų65.429%0.28535%0.353SS..Hα-helixtrans-90.2-45.5-178.4-174.70000111.8I31 H69 R70 H76I31-V72 HydrophobicContact CB-CG1 4.4Å; I31-V72 HydrophobicContact CD1-CG1 3.99Å; I31-V72 HydrophobicContact CG2-CG1 3.54Å; H69-V72 PolarHBondContact O-N 3.04Å; H69-V72 VanDerWaalsContact O-N 3.08Å; R70-V72 PolarHBondContact O-N 2.99Å; V72-H76 PolarHBondContact O-CE1 3.05Å; V72-H76 PolarHBondContact O-ND1 3.01Å
73L78.1Confident75.8Confident1 Ų169.9 Ų69.91%0.00537%0.37CS..Hα-helixtrans-82.8-37.3-174-79.5168.7000113.9I24 L27 L28 I31 V65 H69 P75 H76 L77I24-L73 HydrophobicContact CG2-CD1 3.97Å; L27-L73 HydrophobicContact CB-CD2 3.6Å; L28-L73 HydrophobicContact CD1-CD1 4.44Å; L28-L73 HydrophobicContact CD2-CD1 3.46Å; L28-L73 VanDerWaalsContact CD2-CD1 3.46Å; L28-L73 HydrophobicContact CD2-CD2 4.17Å; L28-L73 HydrophobicContact CD2-CG 3.7Å; L28-L73 HydrophobicContact CG-CD1 3.8Å; L28-L73 HydrophobicContact CG-CD2 4.46Å; L28-L73 HydrophobicContact CG-CG 4.35Å; I31-L73 HydrophobicContact CD1-CD2 3.57Å; I31-L73 HydrophobicContact CD1-CG 4.26Å; V65-L73 HydrophobicContact CG1-CB 4.05Å; V65-L73 HydrophobicContact CG1-CD1 3.76Å; V65-L73 HydrophobicContact CG2-CB 4.49Å; V65-L73 HydrophobicContact CG2-CD1 4.36Å; H69-L73 HydrophobicContact CB-CD1 4.17Å; H69-L73 PolarHBondContact O-N 3.38Å; L73-P75 VanDerWaalsContact C-CD 3.49Å; L73-H76 PolarHBondContact O-N 3.47Å; L73-L77 HydrophobicContact CB-CD1 4.34Å; L73-L77 PolarHBondContact O-N 3.47Å
74L74.7Confident75.6Confident36 Ų3666.6 Ų66.619%0.18834%0.342CS..Hα-helixtrans-59.7-39.1-173-161.989.1000113.3I62 R70 H76 L77 K78 G160I62-L74 HydrophobicContact CG2-CD1 3.85Å; R70-L74 WeakPolarHBondContact O-CB 3.24Å; R70-L74 PolarHBondContact O-N 3.38Å; L74-H76 PolarHBondContact O-N 3.21Å; L74-L77 PolarHBondContact O-N 3.29Å; L74-K78 WeakPolarHBondContact O-CB 3.19Å; L74-K78 PolarHBondContact O-N 2.93Å; L74-G160 WeakPolarHBondContact CD2-O 3.35Å
75P73.1Confident75Confident82 Ų8264.6 Ų64.653%0.53233%0.326SS..Hα-helixtrans-57.7-35.2173.7-26.436.3000113.9H71 L73H71-P75 WeakPolarHBondContact O-CD 3.32Å; L73-P75 VanDerWaalsContact C-CD 3.49Å
76H73.6Confident74.4Confident133 Ų13365 Ų6562%0.61633%0.329SS*.Hα-helixtrans-82.2-27.8-179.3-59.591.7000112.8V72 L73 L74V72-H76 PolarHBondContact O-CE1 3.05Å; V72-H76 PolarHBondContact O-ND1 3.01Å; L73-H76 PolarHBondContact O-N 3.47Å; L74-H76 PolarHBondContact O-N 3.21Å
77L74.6Confident74.2Confident6 Ų662.8 Ų62.83%0.03132%0.315CS..Hα-helixtrans-91.1-14.2178.9-69176000113.7L27 L39 L58 I62 V65 L73 L74 A79L27-L77 HydrophobicContact CD1-CD2 3.85Å; L39-L77 HydrophobicContact CD1-CD2 4.14Å; L39-L77 HydrophobicContact CD2-CD2 3.91Å; L58-L77 HydrophobicContact CD1-CB 4.41Å; L58-L77 HydrophobicContact CD1-CD2 4.17Å; L58-L77 WeakPolarHBondContact CD1-O 3.49Å; L58-L77 WeakPolarHBondContact CD2-O 2.84Å; I62-L77 HydrophobicContact CG1-CB 4.07Å; V65-L77 HydrophobicContact CG2-CD1 3.77Å; L73-L77 HydrophobicContact CB-CD1 4.34Å; L73-L77 PolarHBondContact O-N 3.47Å; L74-L77 PolarHBondContact O-N 3.29Å; L77-A79 PolarHBondContact O-N 3.5Å
78K69.6Low74.5Confident48 Ų4858.2 Ų58.221%0.20929%0.286CS..  trans-62.6122.4-175-178.1173.7-74.8175.90111.3L74 K80 G160L74-K78 WeakPolarHBondContact O-CB 3.19Å; L74-K78 PolarHBondContact O-N 2.93Å; K78-K80 PolarHBondContact O-N 3.15Å; K78-G160 WeakPolarHBondContact CE-O 3.25Å
79A68.2Low75Confident23 Ų2352.2 Ų52.219%0.1926%0.258CS..SBendtrans-70.6130.9176.300000111.2L58 L77 L159 H161L58-A79 HydrophobicContact CD2-CB 3.72Å; L77-A79 PolarHBondContact O-N 3.5Å; A79-L159 HydrophobicContact CB-CD2 4.01Å; A79-H161 PolarHBondContact O-CE1 3.47Å; A79-H161 VanDerWaalsContact O-CE1 3.31Å; A79-H161 PolarHBondContact O-NE2 3.2Å; A79-H161 VanDerWaalsContact O-NE2 3.1Å
80K71.5Confident75.6Confident145 Ų14552.2 Ų52.263%0.6326%0.262SS*.SBendtrans4966.8173.7-60.2-170.5177.1-166.50112K78 V82 R83K78-K80 PolarHBondContact O-N 3.15Å; K80-V82 PolarHBondContact O-N 3.03Å; K80-R83 HydrophobicContact CB-CG 4.13Å; K80-R83 WeakPolarHBondContact O-CB 3.47Å; K80-R83 WeakPolarHBondContact O-CG 3.47Å; K80-R83 PolarHBondContact O-N 3.48Å
81P69.4Low76.5Confident57 Ų5746.6 Ų46.637%0.3724%0.241SC..G310 helixtrans-54.1-30-172.521.3-33.9000113.8R83 S84 A85 I412P81-R83 PolarHBondContact O-N 3.31Å; P81-S84 PolarHBondContact O-N 3.32Å; P81-S84 VanDerWaalsContact O-N 3.17Å; P81-A85 PolarHBondContact O-N 3.11Å; P81-I412 HydrophobicContact CB-CD1 4.15Å; P81-I412 HydrophobicContact CG-CD1 4.47Å; P81-I412 HydrophobicContact CG-CG2 4.39Å
82V74.5Confident77.6Confident44 Ų4440.5 Ų40.527%0.26722%0.216SC..G310 helixtrans-49.4-26.4173.2177.80000113.5K80 S84 A85 I409 I412K80-V82 PolarHBondContact O-N 3.03Å; V82-S84 VanDerWaalsContact C-N 3.3Å; V82-S84 PolarHBondContact O-N 3.05Å; V82-A85 PolarHBondContact O-N 2.96Å; V82-I409 HydrophobicContact CG1-CD1 3.87Å; V82-I412 HydrophobicContact CG2-CD1 4.15Å; V82-I412 HydrophobicContact CG2-CG2 4.28Å
83R75.2Confident78.6Confident100 Ų10038.3 Ų38.338%0.37720%0.203SC..G310 helixtrans-64.6-27.1-179-75.3-176.1168.9-175.41.1115.1K80 P81K80-R83 HydrophobicContact CB-CG 4.13Å; K80-R83 WeakPolarHBondContact O-CB 3.47Å; K80-R83 WeakPolarHBondContact O-CG 3.47Å; K80-R83 PolarHBondContact O-N 3.48Å; P81-R83 PolarHBondContact O-N 3.31Å
84S75.3Confident79.5Confident6 Ų638.2 Ų38.24%0.04220%0.202CC..G310 helixtrans-123.211.9178.953.90000112P81 V82 S86 G87 H161P81-S84 PolarHBondContact O-N 3.32Å; P81-S84 VanDerWaalsContact O-N 3.17Å; V82-S84 VanDerWaalsContact C-N 3.3Å; V82-S84 PolarHBondContact O-N 3.05Å; S84-S86 VanDerWaalsContact C-N 3.27Å; S84-S86 PolarHBondContact O-N 3.11Å; S84-G87 PolarHBondContact O-N 3.03Å; S84-H161 PolarHBondContact OG-ND1 3.47Å; S84-H161 VanDerWaalsContact OG-ND1 3.1Å
85A70.8Confident80.5Confident6 Ų636.5 Ų36.55%0.0519%0.193CC..THydrogen-bonded Turntrans-66-31.4-17700000112.4P81 V82 G87 I409 I412 G496P81-A85 PolarHBondContact O-N 3.11Å; V82-A85 PolarHBondContact O-N 2.96Å; A85-G87 PolarHBondContact O-N 3.42Å; A85-I409 HydrophobicContact CB-CD1 4.01Å; A85-I412 HydrophobicContact CB-CD1 3.61Å; A85-G496 CarbonylContact O-C 3.43Å; A85-G496 VanDerWaalsContact O-O 3.13Å
86S71Confident81.6Confident15 Ų1536.5 Ų36.511%0.10519%0.185CC..THydrogen-bonded Turntrans-82.39.8177.1-43.60000113.3S84 I88 E406 H493S84-S86 VanDerWaalsContact C-N 3.27Å; S84-S86 PolarHBondContact O-N 3.11Å; S86-I88 VanDerWaalsContact C-N 3.32Å; S86-I88 PolarHBondContact O-N 2.94Å; S86-E406 PolarHBondContact OG-OE1 3.4Å; S86-E406 PolarHBondContact OG-OE2 3.35Å; S86-H493 PolarHBondContact O-CE1 3.41Å; S86-H493 PolarHBondContact O-NE2 3.07Å
87G76Confident82.6Confident0 Ų032 Ų320%017%0.168CC..SBendtrans81.82.7175.200000115.8S84 A85 G496S84-G87 PolarHBondContact O-N 3.03Å; A85-G87 PolarHBondContact O-N 3.42Å; G87-G496 WeakPolarHBondContact CA-O 3.35Å; G87-G496 PolarHBondContact N-O 2.77Å; G87-G496 VanDerWaalsContact N-O 3.15Å
88I84.5Confident83.5Confident19 Ų1932.7 Ų32.710%0.09717%0.171CC..SBendtrans-134.7157.3-17960.1170000110.6S86 V90 K165 E167 V217S86-I88 VanDerWaalsContact C-N 3.32Å; S86-I88 PolarHBondContact O-N 2.94Å; I88-V90 HydrophobicContact CD1-CG2 4.38Å; I88-K165 HydrophobicContact CG2-CB 4.17Å; I88-E167 HydrophobicContact CD1-CB 4.03Å; I88-E167 VanDerWaalsContact CD1-OE2 3.3Å; I88-E167 WeakPolarHBondContact CD1-OE2 3.39Å; I88-V217 HydrophobicContact CB-CG2 4.48Å; I88-V217 HydrophobicContact CG2-CG2 3.93Å
89V89.7Confident84.5Confident6 Ų637.9 Ų37.94%0.03619%0.189CC..EExtended strand (participates in β ladder)trans-104.7118172.5171.70000109.6I91 L156 T162 K165 V166 E167V89-I91 HydrophobicContact CG1-CG1 4.08Å; V89-L156 HydrophobicContact CG1-CD1 3.34Å; V89-T162 VanDerWaalsContact CG2-O 3.27Å; V89-T162 WeakPolarHBondContact CG2-O 3.24Å; V89-K165 PolarHBondContact N-O 3.03Å; V89-V166 WeakPolarHBondContact O-CA 3.48Å; V89-E167 PolarHBondContact O-N 3.03Å
90V92.1Very high85.7Confident59 Ų5937.3 Ų37.336%0.35818%0.183SC..EExtended strand (participates in β ladder)trans-87.3119177.7-178.50000110.3I88 E167 I169I88-V90 HydrophobicContact CD1-CG2 4.38Å; V90-E167 CarbonylContact C-O 3.53Å; V90-E167 WeakPolarHBondContact CA-O 3.34Å; V90-I169 HydrophobicContact CG1-CD1 3.39Å; V90-I169 HydrophobicContact CG1-CG1 3.77Å
91I95.4Very high86.5Confident0 Ų031.5 Ų31.50%016%0.16CC..EExtended strand (participates in β ladder)trans-109.3107176.5-60.6-171.6000109.7V89 V93 R152 I153 V166 E167 F168 I169V89-I91 HydrophobicContact CG1-CG1 4.08Å; I91-V93 HydrophobicContact CG2-CG1 4Å; I91-R152 HydrophobicContact CD1-CG 4.41Å; I91-R152 HydrophobicContact CG1-CG 4.17Å; I91-R152 HydrophobicContact CG2-CB 4.17Å; I91-R152 HydrophobicContact CG2-CG 3.96Å; I91-I153 HydrophobicContact CD1-CD1 4.11Å; I91-I153 HydrophobicContact CD1-CG1 3.41Å; I91-I153 VanDerWaalsContact CD1-CG1 3.41Å; I91-V166 HydrophobicContact CB-CG1 4.15Å; I91-V166 HydrophobicContact CD1-CG1 3.65Å; I91-V166 HydrophobicContact CD1-CG2 4.1Å; I91-V166 HydrophobicContact CG1-CG1 3.86Å; I91-E167 PolarHBondContact N-O 3.4Å; I91-F168 HydrophobicContact CB-CD1 3.87Å; I91-F168 HydrophobicContact CB-CE1 4.02Å; I91-F168 HydrophobicContact CG2-CD1 3.91Å; I91-F168 HydrophobicContact CG2-CE1 3.85Å; I91-F168 CarbonylContact O-C 3.59Å; I91-F168 WeakPolarHBondContact O-CA 3.36Å; I91-I169 PolarHBondContact O-N 3.07Å
92A96Very high87.4Confident18 Ų1828.9 Ų28.915%0.14914%0.143CC..EExtended strand (participates in β ladder)trans-80.1116173.100000110.8T134 M171A92-T134 HydrophobicContact CB-CG2 3.89Å; A92-M171 HydrophobicContact CB-CE 3.1Å
93V97.6Very high88.1Confident0 Ų028.3 Ų28.30%014%0.138CC..EExtended strand (participates in β ladder)trans-120.7150.6174.8-63.30000110.2I91 Q148 F168 I169 V170 M171 F186 L190I91-V93 HydrophobicContact CG2-CG1 4Å; V93-Q148 HydrophobicContact CG1-CB 4.12Å; V93-F168 HydrophobicContact CG1-CD1 4.36Å; V93-I169 PolarHBondContact N-O 2.85Å; V93-I169 VanDerWaalsContact O-O 3.09Å; V93-V170 HydrophobicContact CG2-CG2 4.12Å; V93-M171 PolarHBondContact O-N 3.39Å; V93-F186 HydrophobicContact CB-CZ 4.22Å; V93-F186 HydrophobicContact CG2-CE1 3.85Å; V93-F186 HydrophobicContact CG2-CZ 3.92Å; V93-L190 HydrophobicContact CB-CD2 4.43Å; V93-L190 HydrophobicContact CG1-CD2 4.06Å; V93-L190 HydrophobicContact CG2-CD1 4.14Å; V93-L190 HydrophobicContact CG2-CD2 4.02Å
94M97.1Very high88.6Confident0 Ų028.2 Ų28.20%016%0.159CC..EExtended strand (participates in β ladder)trans-122.2134.3-177.1-160.3173.1-110.600110.8T125 Y128 S135 A138 Y143 Q148 M171M94-T125 VanDerWaalsContact CE-OG1 3.31Å; M94-T125 WeakPolarHBondContact CE-OG1 3.38Å; M94-T125 HydrophobicContact CG-CG2 3.76Å; M94-T125 HydrophobicContact SD-CG2 3.93Å; M94-T125 PolarHBondContact SD-OG1 3.01Å; M94-Y128 HydrophobicContact CE-CD1 3.45Å; M94-Y128 VanDerWaalsContact CE-CD1 3.45Å; M94-Y128 HydrophobicContact CE-CD2 3.6Å; M94-Y128 HydrophobicContact CE-CE1 3.75Å; M94-Y128 HydrophobicContact CE-CE2 3.92Å; M94-Y128 HydrophobicContact CE-CG 3.36Å; M94-S135 WeakPolarHBondContact CE-OG 3.49Å; M94-A138 HydrophobicContact CB-CB 3.64Å; M94-A138 HydrophobicContact SD-CB 4.42Å; M94-Y143 HydrophobicContact CB-CE1 4.23Å; M94-Y143 HydrophobicContact CG-CE1 4.06Å; M94-Y143 HydrophobicContact SD-CE1 4.15Å; M94-Q148 PolarHBondContact O-NE2 3.39Å; M94-M171 CarbonylContact C-O 3.43Å; M94-M171 VanDerWaalsContact CA-O 3.3Å; M94-M171 WeakPolarHBondContact CA-O 3.25Å; M94-M171 HydrophobicContact CE-CB 4.36Å
95C96Very high89Confident0 Ų033.8 Ų33.80%019%0.192CC..PPolyproline II helixtrans-76.4168.8173.268.80000111.4T125 Y143 M171 G172 F175 L178 Y182 F186C95-T125 WeakPolarHBondContact O-CG2 3.44Å; C95-Y143 WeakPolarHBondContact O-CD1 3.35Å; C95-Y143 WeakPolarHBondContact O-CE1 3.22Å; C95-M171 PolarHBondContact N-O 3.34Å; C95-M171 PolarHBondContact SG-O 2.91Å; C95-M171 VanDerWaalsContact SG-O 3.4Å; C95-G172 PolarHBondContact SG-O 2.88Å; C95-G172 VanDerWaalsContact SG-O 3.37Å; C95-F175 HydrophobicContact CB-CD2 3.9Å; C95-F175 HydrophobicContact CB-CE2 4.32Å; C95-L178 HydrophobicContact CB-CD1 4.02Å; C95-Y182 HydrophobicContact CB-CE1 4.15Å; C95-F186 HydrophobicContact CB-CE2 4.15Å; C95-F186 HydrophobicContact CB-CZ 4.42Å
96K95.3Very high89.7Confident82 Ų8236 Ų3636%0.35721%0.206SC..PPolyproline II helixtrans-62.7148.918067.4179.7175.3178.10111.9H98 L178 Y182K96-H98 PolarHBondContact O-N 3.33Å; K96-H98 PolarHBondContact O-ND1 3.27Å; K96-L178 HydrophobicContact CG-CD2 4.33Å; K96-Y182 HydrophobicContact CB-CE2 4.36Å; K96-Y182 HydrophobicContact CD-CD2 3.94Å; K96-Y182 HydrophobicContact CD-CE1 4.48Å; K96-Y182 HydrophobicContact CD-CE2 3.57Å; K96-Y182 HydrophobicContact CG-CE1 4.1Å; K96-Y182 HydrophobicContact CG-CE2 3.88Å; K96-Y182 PolarHBondContact N-OH 3.46Å
97P95.4Very high90.6Very high39 Ų3937.8 Ų37.825%0.25323%0.226SC..PPolyproline II helixtrans-52.8132.2169.1-2837.4000111.7P117 Y123 S124 T125 Y143P97-P117 HydrophobicContact CB-CG 4.29Å; P97-Y123 WeakPolarHBondContact CG-O 3.36Å; P97-S124 WeakPolarHBondContact CB-O 3.28Å; P97-T125 HydrophobicContact CG-CG2 4.29Å; P97-Y143 HydrophobicContact CG-CE2 4.05Å
98H93.6Very high91.2Very high20 Ų2043.2 Ų43.29%0.09326%0.255CS..  trans-151.7154.6175.860.9-80.2000109.5K96 P117 G172 T174 L178K96-H98 PolarHBondContact O-N 3.33Å; K96-H98 PolarHBondContact O-ND1 3.27Å; H98-P117 WeakPolarHBondContact O-CD 3.41Å; H98-G172 PolarHBondContact CE1-O 3.42Å; H98-T174 PolarHBondContact NE2-O 3.18Å; H98-L178 HydrophobicContact CB-CD2 3.79Å
99R91.2Very high91.6Very high156 Ų15644.5 Ų44.559%0.58926%0.264SS*.  trans-67.9141.2177.8-72.4-170.3169.5178.8-0.2110.3I103 P117 D118R99-I103 HydrophobicContact CB-CD1 4.29Å; R99-P117 HydrophobicContact CG-CB 4.39Å; R99-P117 HydrophobicContact CG-CG 4.25Å; R99-D118 WeakPolarHBondContact CD-OD2 3.29Å; R99-D118 WeakPolarHBondContact CG-OD2 3.32Å; R99-D118 IonicContact CZ-OD1 3.19Å; R99-D118 IonicContact CZ-OD2 2.98Å; R99-D118 VanDerWaalsContact NE-CG 3.33Å; R99-D118 IonicContact NE-OD1 3.83Å; R99-D118 PolarHBondContact NE-OD1 2.64Å; R99-D118 IonicContact NE-OD2 3.59Å; R99-D118 PolarHBondContact NE-OD2 2.83Å; R99-D118 IonicContact NH2-OD1 3.86Å; R99-D118 PolarHBondContact NH2-OD1 2.78Å; R99-D118 IonicContact NH2-OD2 3.67Å
100C91.7Very high91.8Very high12 Ų1244.4 Ų44.48%0.08126%0.263CS..  trans-64.8131.6175.2-163.40000109.9H102 I103 Q126C100-H102 VanDerWaalsContact C-N 3.28Å; C100-H102 PolarHBondContact O-N 3.14Å; C100-H102 PolarHBondContact SG-CE1 3.16Å; C100-H102 PolarHBondContact SG-ND1 2.96Å; C100-I103 HydrophobicContact CB-CD1 3.93Å; C100-I103 HydrophobicContact CB-CG1 4.05Å; C100-I103 WeakPolarHBondContact O-CB 3.38Å; C100-I103 WeakPolarHBondContact O-CG1 3.47Å; C100-I103 PolarHBondContact O-N 3.06Å; C100-Q126 HydrophobicContact CB-CG 3.96Å
101P89.8Confident92Very high22 Ų2242.9 Ų42.914%0.14325%0.254CS..THydrogen-bonded Turntrans-58.3-36.2-172.715.5-29.2000114.1I103 A104 T174 C177 Y227P101-I103 PolarHBondContact O-N 3.31Å; P101-A104 WeakPolarHBondContact O-CB 3.02Å; P101-A104 PolarHBondContact O-N 2.87Å; P101-T174 HydrophobicContact CG-CG2 4.23Å; P101-C177 HydrophobicContact CB-CB 4.41Å; P101-C177 HydrophobicContact CG-CB 4.05Å; P101-Y227 HydrophobicContact CB-CE2 3.72Å; P101-Y227 VanDerWaalsContact CB-OH 3.23Å; P101-Y227 WeakPolarHBondContact CB-OH 3.49Å; P101-Y227 HydrophobicContact CG-CD2 4.27Å; P101-Y227 HydrophobicContact CG-CE2 3.42Å; P101-Y227 VanDerWaalsContact CG-CE2 3.42Å
102H87.6Confident92Very high3 Ų343.6 Ų43.61%0.01426%0.257CS..THydrogen-bonded Turntrans-70.5-12.4-178.980.6-64.3000114.5C100 A104 V105 T106 N108 R224 N260C100-H102 VanDerWaalsContact C-N 3.28Å; C100-H102 PolarHBondContact O-N 3.14Å; C100-H102 PolarHBondContact SG-CE1 3.16Å; C100-H102 PolarHBondContact SG-ND1 2.96Å; H102-A104 PolarHBondContact O-N 2.98Å; H102-V105 CarbonylContact O-C 3.56Å; H102-V105 WeakPolarHBondContact O-CA 3.42Å; H102-V105 WeakPolarHBondContact O-CB 3.34Å; H102-V105 PolarHBondContact O-N 3.07Å; H102-T106 PolarHBondContact CD2-OG1 2.94Å; H102-T106 VanDerWaalsContact CD2-OG1 3.32Å; H102-T106 PolarHBondContact O-N 3.4Å; H102-T106 PolarHBondContact O-OG1 3.26Å; H102-N108 PolarHBondContact NE2-O 3.15Å; H102-R224 VanDerWaalsContact CG-NH1 3.25Å; H102-R224 PolarHBondContact ND1-NH1 2.9Å; H102-N260 PolarHBondContact NE2-O 3.32Å
103I89.6Confident91.9Very high31 Ų3143.4 Ų43.416%0.15925%0.254CS..Hα-helixtrans-58.7-35.3173.5-61.8168.2000109.4R99 C100 P101 V105 G107 V109R99-I103 HydrophobicContact CB-CD1 4.29Å; C100-I103 HydrophobicContact CB-CD1 3.93Å; C100-I103 HydrophobicContact CB-CG1 4.05Å; C100-I103 WeakPolarHBondContact O-CB 3.38Å; C100-I103 WeakPolarHBondContact O-CG1 3.47Å; C100-I103 PolarHBondContact O-N 3.06Å; P101-I103 PolarHBondContact O-N 3.31Å; I103-V105 PolarHBondContact O-N 3.45Å; I103-G107 WeakPolarHBondContact O-CA 3.47Å; I103-G107 PolarHBondContact O-N 3.2Å; I103-V109 HydrophobicContact CD1-CG1 3.43Å; I103-V109 VanDerWaalsContact CD1-CG1 3.43Å; I103-V109 HydrophobicContact CG1-CG1 3.7Å
104A85.1Confident91.6Very high99 Ų9943.9 Ų43.982%0.81826%0.257SS*.Hα-helixtrans-65.3-19.9174.900000113.4P101 H102P101-A104 WeakPolarHBondContact O-CB 3.02Å; P101-A104 PolarHBondContact O-N 2.87Å; H102-A104 PolarHBondContact O-N 2.98Å
105V82.8Confident91.3Very high122 Ų12244.1 Ų44.174%0.73926%0.26SS*.Hα-helixtrans-99.5-46.7-177.1-177.10000111.4H102 I103H102-V105 CarbonylContact O-C 3.56Å; H102-V105 WeakPolarHBondContact O-CA 3.42Å; H102-V105 WeakPolarHBondContact O-CB 3.34Å; H102-V105 PolarHBondContact O-N 3.07Å; I103-V105 PolarHBondContact O-N 3.45Å
106T86.8Confident91.1Very high54 Ų5444.2 Ų44.233%0.33126%0.26SS..Hα-helixtrans-105.4-4.8-173.469.50000113.7H102 N108 N260H102-T106 PolarHBondContact CD2-OG1 2.94Å; H102-T106 VanDerWaalsContact CD2-OG1 3.32Å; H102-T106 PolarHBondContact O-N 3.4Å; H102-T106 PolarHBondContact O-OG1 3.26Å; T106-N108 PolarHBondContact O-N 2.96Å; T106-N108 PolarHBondContact OG1-O 3.45Å; T106-N108 VanDerWaalsContact OG1-O 3.09Å; T106-N260 WeakPolarHBondContact CB-OD1 3.37Å; T106-N260 WeakPolarHBondContact CG2-OD1 3.23Å; T106-N260 PolarHBondContact OG1-ND2 3.48Å; T106-N260 PolarHBondContact OG1-OD1 3.04Å
107G88.8Confident90.8Very high51 Ų5143.4 Ų43.453%0.52626%0.264SS..SBendtrans79.5-10.5178.700000115.1I103I103-G107 WeakPolarHBondContact O-CA 3.47Å; I103-G107 PolarHBondContact O-N 3.2Å
108N90.1Very high90.4Very high114 Ų11445.5 Ų45.561%0.6127%0.273SS*.SBendtrans-147.3165.5-176.5-78.6-53.6000112H102 T106 N260H102-N108 PolarHBondContact NE2-O 3.15Å; T106-N108 PolarHBondContact O-N 2.96Å; T106-N108 PolarHBondContact OG1-O 3.45Å; T106-N108 VanDerWaalsContact OG1-O 3.09Å; N108-N260 VanDerWaalsContact C-ND2 3.28Å; N108-N260 PolarHBondContact O-ND2 3.12Å
109V92.4Very high90.2Very high47 Ų4746.1 Ų46.129%0.28528%0.279SS..  trans-77.6167.7170.3-66.80000112.3I103 N260I103-V109 HydrophobicContact CD1-CG1 3.43Å; I103-V109 VanDerWaalsContact CD1-CG1 3.43Å; I103-V109 HydrophobicContact CG1-CG1 3.7Å; V109-N260 PolarHBondContact O-ND2 2.95Å
110C94.4Very high89.9Confident3 Ų344.8 Ų44.82%0.0228%0.284CS..  trans-60.5140.6170.9-420000110Y112 C113 T259 N260C110-Y112 HydrophobicContact CB-CE1 4.35Å; C110-Y112 HydrophobicContact CB-CE2 4.02Å; C110-Y112 PolarHBondContact O-N 3.49Å; C110-Y112 VanDerWaalsContact O-N 3.08Å; C110-C113 HydrophobicContact CB-CB 4.08Å; C110-C113 VanDerWaalsContact O-CB 3.27Å; C110-C113 WeakPolarHBondContact O-CB 3.27Å; C110-C113 PolarHBondContact O-N 3.01Å; C110-T259 CarbonylContact C-O 3.55Å; C110-T259 VanDerWaalsContact CA-O 3.27Å; C110-T259 WeakPolarHBondContact CA-O 3.41Å; C110-N260 WeakPolarHBondContact CA-O 3.37Å; C110-N260 PolarHBondContact SG-O 3.02Å
111V95.3Very high89.7Confident27 Ų2745.5 Ų45.516%0.16429%0.286CS..THydrogen-bonded Turntrans-59.3-31.4-168.3-600000113.9T259 T327 G328 L329V111-T259 HydrophobicContact CG2-CG2 4.06Å; V111-T259 PolarHBondContact N-O 2.68Å; V111-T327 WeakPolarHBondContact O-CB 3.22Å; V111-G328 CarbonylContact O-C 3.55Å; V111-G328 WeakPolarHBondContact O-CA 3.18Å; V111-G328 PolarHBondContact O-N 2.86Å; V111-L329 WeakPolarHBondContact O-CB 3.03Å; V111-L329 PolarHBondContact O-N 3.38Å
112Y94.7Very high89.4Confident16 Ų1651.3 Ų51.36%0.06331%0.311CS..THydrogen-bonded Turntrans-92.9-1-179.451.7-105.8000113.8C110 P114 Q249 T259 R261 M287 L290C110-Y112 HydrophobicContact CB-CE1 4.35Å; C110-Y112 HydrophobicContact CB-CE2 4.02Å; C110-Y112 PolarHBondContact O-N 3.49Å; C110-Y112 VanDerWaalsContact O-N 3.08Å; Y112-P114 WeakPolarHBondContact O-CD 3.14Å; Y112-Q249 WeakPolarHBondContact OH-CG 2.99Å; Y112-T259 HydrophobicContact CD1-CG2 4.23Å; Y112-T259 HydrophobicContact CE1-CG2 4.01Å; Y112-R261 WeakPolarHBondContact OH-CD 3.3Å; Y112-M287 HydrophobicContact CD1-CE 4.27Å; Y112-M287 HydrophobicContact CD2-CE 3.76Å; Y112-M287 HydrophobicContact CD2-SD 3.92Å; Y112-M287 HydrophobicContact CE1-SD 4.46Å; Y112-M287 HydrophobicContact CE2-CE 4.22Å; Y112-M287 HydrophobicContact CE2-SD 3.74Å; Y112-M287 HydrophobicContact CG-CE 3.82Å; Y112-M287 HydrophobicContact CG-SD 4.39Å; Y112-L290 HydrophobicContact CD1-CD2 3.53Å; Y112-L290 HydrophobicContact CE1-CD2 3.77Å; Y112-L290 HydrophobicContact CG-CD2 4.35Å
113C94Very high89.4Confident13 Ų1358.9 Ų58.99%0.08834%0.34CS..  trans-85.5109.9-169.6-162.20000110.6C110 Q126 S127C110-C113 HydrophobicContact CB-CB 4.08Å; C110-C113 VanDerWaalsContact O-CB 3.27Å; C110-C113 WeakPolarHBondContact O-CB 3.27Å; C110-C113 PolarHBondContact O-N 3.01Å; C113-Q126 PolarHBondContact SG-NE2 2.98Å; C113-S127 WeakPolarHBondContact SG-CA 3.5Å; C113-S127 PolarHBondContact SG-N 3.15Å; C113-S127 VanDerWaalsContact SG-N 3.43Å; C113-S127 PolarHBondContact SG-OG 3.44Å
114P92.5Very high89.6Confident10 Ų1057.4 Ų57.47%0.06533%0.333CS..  trans-77.6167.8172.836.2-37.8000110.3Y112 F121 S127 Y128 T129 I324 T327Y112-P114 WeakPolarHBondContact O-CD 3.14Å; P114-F121 HydrophobicContact CB-CE2 4.23Å; P114-S127 CarbonylContact O-C 3.51Å; P114-S127 WeakPolarHBondContact O-CA 3.25Å; P114-S127 PolarHBondContact O-N 3.44Å; P114-Y128 PolarHBondContact O-N 3.39Å; P114-T129 HydrophobicContact CB-CG2 4.11Å; P114-T129 HydrophobicContact CG-CG2 4.28Å; P114-I324 HydrophobicContact CB-CD1 3.99Å; P114-I324 HydrophobicContact CB-CG2 4.28Å; P114-I324 HydrophobicContact CG-CD1 3.8Å; P114-T327 HydrophobicContact CB-CG2 4.1Å
115G91.3Very high90Very high6 Ų652.7 Ų52.76%0.06229%0.294CS..  trans75.5-170.5166.900000115.4S119 S124 Q126 Y128G115-S119 VanDerWaalsContact C-CB 3.49Å; G115-S119 WeakPolarHBondContact CA-OG 3.45Å; G115-S119 WeakPolarHBondContact O-CB 3.2Å; G115-S119 PolarHBondContact O-OG 3.16Å; G115-S124 WeakPolarHBondContact CA-OG 3.34Å; G115-Q126 PolarHBondContact O-NE2 3.07Å; G115-Y128 WeakPolarHBondContact CA-O 3.35Å
116G91Very high90.4Very high1 Ų147.1 Ų47.11%0.0126%0.26CS..SBendtrans89.1170.3-174.600000112D118 S119 S124 T125G116-D118 PolarHBondContact O-N 3.42Å; G116-D118 VanDerWaalsContact O-N 3.07Å; G116-S119 PolarHBondContact O-N 3.1Å; G116-S119 VanDerWaalsContact O-N 3.13Å; G116-S119 PolarHBondContact O-OG 3.19Å; G116-S124 VanDerWaalsContact CA-O 3.29Å; G116-S124 WeakPolarHBondContact CA-O 3.27Å; G116-S124 PolarHBondContact N-O 2.87Å; G116-S124 PolarHBondContact N-OG 3.14Å; G116-T125 PolarHBondContact N-O 2.85Å
117P89.1Confident90.6Very high65 Ų6545.6 Ų45.642%0.42225%0.252SS..THydrogen-bonded Turntrans-60.6-21.7-173.2-25.135.2000115.1P97 H98 R99P97-P117 HydrophobicContact CB-CG 4.29Å; H98-P117 WeakPolarHBondContact O-CD 3.41Å; R99-P117 HydrophobicContact CG-CB 4.39Å; R99-P117 HydrophobicContact CG-CG 4.25Å
118D86.3Confident90.9Very high84 Ų8444.3 Ų44.345%0.44923%0.231SC..THydrogen-bonded Turntrans-100.113.9-176.4-53.6-47.1000112.7R99 G116R99-D118 WeakPolarHBondContact CD-OD2 3.29Å; R99-D118 WeakPolarHBondContact CG-OD2 3.32Å; R99-D118 IonicContact CZ-OD1 3.19Å; R99-D118 IonicContact CZ-OD2 2.98Å; R99-D118 VanDerWaalsContact NE-CG 3.33Å; R99-D118 IonicContact NE-OD1 3.83Å; R99-D118 PolarHBondContact NE-OD1 2.64Å; R99-D118 IonicContact NE-OD2 3.59Å; R99-D118 PolarHBondContact NE-OD2 2.83Å; R99-D118 IonicContact NH2-OD1 3.86Å; R99-D118 PolarHBondContact NH2-OD1 2.78Å; R99-D118 IonicContact NH2-OD2 3.67Å; G116-D118 PolarHBondContact O-N 3.42Å; G116-D118 VanDerWaalsContact O-N 3.07Å
119S89.6Confident91Very high32 Ų3238.9 Ų38.922%0.22420%0.202CC..SBendtrans-110.7165.7-178.3770000112.6G115 G116 F121G115-S119 VanDerWaalsContact C-CB 3.49Å; G115-S119 WeakPolarHBondContact CA-OG 3.45Å; G115-S119 WeakPolarHBondContact O-CB 3.2Å; G115-S119 PolarHBondContact O-OG 3.16Å; G116-S119 PolarHBondContact O-N 3.1Å; G116-S119 VanDerWaalsContact O-N 3.13Å; G116-S119 PolarHBondContact O-OG 3.19Å; S119-F121 PolarHBondContact O-N 3.24Å; S119-F121 VanDerWaalsContact O-N 3.09Å; S119-F121 PolarHBondContact OG-N 3.29Å
120D84.9Confident91.1Very high128 Ų12836.9 Ų36.968%0.68419%0.191SC*.SBendtrans-63.8-11172.8-61.9-19.9000113.6E122D120-E122 PolarHBondContact O-N 3.27Å
121F87.8Confident91Very high28 Ų2843.1 Ų43.112%0.12322%0.215CC..SBendtrans-91.286.3-179.8-62.4-72.6000110.5P114 S119 Y123 S124 T129 Y131 I324 L374P114-F121 HydrophobicContact CB-CE2 4.23Å; S119-F121 PolarHBondContact O-N 3.24Å; S119-F121 VanDerWaalsContact O-N 3.09Å; S119-F121 PolarHBondContact OG-N 3.29Å; F121-Y123 PolarHBondContact O-N 3.4Å; F121-S124 WeakPolarHBondContact O-CB 3.41Å; F121-S124 PolarHBondContact O-N 3.04Å; F121-S124 VanDerWaalsContact O-N 3.12Å; F121-S124 PolarHBondContact O-OG 3.32Å; F121-T129 WeakPolarHBondContact CB-O 3.32Å; F121-T129 WeakPolarHBondContact CD1-O 3.47Å; F121-T129 HydrophobicContact CE1-CG2 4.21Å; F121-T129 HydrophobicContact CE2-CG2 4.21Å; F121-T129 WeakPolarHBondContact CG-O 3.15Å; F121-T129 HydrophobicContact CZ-CG2 3.99Å; F121-Y131 HydrophobicContact CD1-CD2 4.2Å; F121-Y131 AromaticContact CD1-CE2 3.92Å; F121-Y131 HydrophobicContact CD1-CE2 3.92Å; F121-Y131 HydrophobicContact CE1-CD2 4.37Å; F121-Y131 HydrophobicContact CE1-CE2 4.23Å; F121-I324 HydrophobicContact CE2-CG2 4.08Å; F121-I324 HydrophobicContact CZ-CG2 3.94Å; F121-L374 HydrophobicContact CE1-CD1 4.37Å
122E83.8Confident90.9Very high144 Ų14442.2 Ų42.267%0.67321%0.209SC*.THydrogen-bonded Turntrans-53140.7178.9-67.4-172.2178.200112.4D120 S124D120-E122 PolarHBondContact O-N 3.27Å; E122-S124 PolarHBondContact O-N 3.2Å
123Y88.4Confident90.8Very high161 Ų16144.2 Ų44.263%0.63122%0.224SC*.THydrogen-bonded Turntrans60.66.3-178.7-47.5-78.1000115.1P97 F121 Y143P97-Y123 WeakPolarHBondContact CG-O 3.36Å; F121-Y123 PolarHBondContact O-N 3.4Å; Y123-Y143 PolarHBondContact O-OH 3.23Å
124S93.2Very high90.7Very high1 Ų144.4 Ų44.41%0.00723%0.225CC..PPolyproline II helixtrans-82.4147-179.897.30000112P97 G115 G116 F121 E122 Y128P97-S124 WeakPolarHBondContact CB-O 3.28Å; G115-S124 WeakPolarHBondContact CA-OG 3.34Å; G116-S124 VanDerWaalsContact CA-O 3.29Å; G116-S124 WeakPolarHBondContact CA-O 3.27Å; G116-S124 PolarHBondContact N-O 2.87Å; G116-S124 PolarHBondContact N-OG 3.14Å; F121-S124 WeakPolarHBondContact O-CB 3.41Å; F121-S124 PolarHBondContact O-N 3.04Å; F121-S124 VanDerWaalsContact O-N 3.12Å; F121-S124 PolarHBondContact O-OG 3.32Å; E122-S124 PolarHBondContact O-N 3.2Å; S124-Y128 VanDerWaalsContact CB-O 3.22Å; S124-Y128 WeakPolarHBondContact CB-O 3.42Å; S124-Y128 PolarHBondContact OG-O 2.97Å
125T92.6Very high90.8Very high0 Ų044 Ų440%022%0.222CC..PPolyproline II helixtrans-78.9155.3169.453.40000110.9M94 C95 P97 G116 S127 Y128 Y143M94-T125 VanDerWaalsContact CE-OG1 3.31Å; M94-T125 WeakPolarHBondContact CE-OG1 3.38Å; M94-T125 HydrophobicContact CG-CG2 3.76Å; M94-T125 HydrophobicContact SD-CG2 3.93Å; M94-T125 PolarHBondContact SD-OG1 3.01Å; C95-T125 WeakPolarHBondContact O-CG2 3.44Å; P97-T125 HydrophobicContact CG-CG2 4.29Å; G116-T125 PolarHBondContact N-O 2.85Å; T125-S127 PolarHBondContact O-N 2.77Å; T125-Y128 PolarHBondContact O-N 3.01Å; T125-Y128 VanDerWaalsContact O-N 3.1Å; T125-Y128 VanDerWaalsContact OG1-CD2 3.28Å; T125-Y128 WeakPolarHBondContact OG1-CD2 3.49Å; T125-Y143 HydrophobicContact CG2-CE1 4.01Å
126Q91.7Very high90.9Very high4 Ų447.3 Ų47.32%0.01924%0.237CC..THydrogen-bonded Turntrans-52.7134.2176.6-169.270.265.400112.1C100 C113 G115 Y128C100-Q126 HydrophobicContact CB-CG 3.96Å; C113-Q126 PolarHBondContact SG-NE2 2.98Å; G115-Q126 PolarHBondContact O-NE2 3.07Å; Q126-Y128 VanDerWaalsContact C-N 3.35Å; Q126-Y128 VanDerWaalsContact O-CD2 3.26Å; Q126-Y128 WeakPolarHBondContact O-CD2 3.49Å
127S91.8Very high91.1Very high23 Ų2349.3 Ų49.316%0.16124%0.244CC..THydrogen-bonded Turntrans79.57.5-177.7-330000115.5C113 P114 T125C113-S127 WeakPolarHBondContact SG-CA 3.5Å; C113-S127 PolarHBondContact SG-N 3.15Å; C113-S127 VanDerWaalsContact SG-N 3.43Å; C113-S127 PolarHBondContact SG-OG 3.44Å; P114-S127 CarbonylContact O-C 3.51Å; P114-S127 WeakPolarHBondContact O-CA 3.25Å; P114-S127 PolarHBondContact O-N 3.44Å; T125-S127 PolarHBondContact O-N 2.77Å
128Y94.2Very high91.4Very high23 Ų2346.2 Ų46.29%0.0922%0.224CC..  trans-134.5143.4-178.3-61.5-91.4000110.9M94 P114 G115 S124 T125 Q126 E132 M171 E222M94-Y128 HydrophobicContact CE-CD1 3.45Å; M94-Y128 VanDerWaalsContact CE-CD1 3.45Å; M94-Y128 HydrophobicContact CE-CD2 3.6Å; M94-Y128 HydrophobicContact CE-CE1 3.75Å; M94-Y128 HydrophobicContact CE-CE2 3.92Å; M94-Y128 HydrophobicContact CE-CG 3.36Å; P114-Y128 PolarHBondContact O-N 3.39Å; G115-Y128 WeakPolarHBondContact CA-O 3.35Å; S124-Y128 VanDerWaalsContact CB-O 3.22Å; S124-Y128 WeakPolarHBondContact CB-O 3.42Å; S124-Y128 PolarHBondContact OG-O 2.97Å; T125-Y128 PolarHBondContact O-N 3.01Å; T125-Y128 VanDerWaalsContact O-N 3.1Å; T125-Y128 VanDerWaalsContact OG1-CD2 3.28Å; T125-Y128 WeakPolarHBondContact OG1-CD2 3.49Å; Q126-Y128 VanDerWaalsContact C-N 3.35Å; Q126-Y128 VanDerWaalsContact O-CD2 3.26Å; Q126-Y128 WeakPolarHBondContact O-CD2 3.49Å; Y128-E132 HydrophobicContact CD1-CG 4.45Å; Y128-M171 HydrophobicContact CE1-SD 4.33Å; Y128-M171 WeakPolarHBondContact OH-CG 3.24Å; Y128-E222 PolarHBondContact OH-OE2 2.94Å
129T93.1Very high91.8Very high1 Ų144.9 Ų44.91%0.00622%0.216CC..  trans-83.6-11.6-178.661.60000113.6P114 F121 Y131 E132 I370 L374P114-T129 HydrophobicContact CB-CG2 4.11Å; P114-T129 HydrophobicContact CG-CG2 4.28Å; F121-T129 WeakPolarHBondContact CB-O 3.32Å; F121-T129 WeakPolarHBondContact CD1-O 3.47Å; F121-T129 HydrophobicContact CE1-CG2 4.21Å; F121-T129 HydrophobicContact CE2-CG2 4.21Å; F121-T129 WeakPolarHBondContact CG-O 3.15Å; F121-T129 HydrophobicContact CZ-CG2 3.99Å; T129-Y131 VanDerWaalsContact O-CD2 3.28Å; T129-Y131 WeakPolarHBondContact O-CD2 3.31Å; T129-Y131 PolarHBondContact O-N 3.18Å; T129-Y131 PolarHBondContact OG1-N 2.88Å; T129-E132 WeakPolarHBondContact CB-OE1 3.41Å; T129-E132 PolarHBondContact N-OE1 2.92Å; T129-E132 PolarHBondContact N-OE2 3.49Å; T129-E132 VanDerWaalsContact OG1-CD 3.25Å; T129-E132 PolarHBondContact OG1-OE1 3.2Å; T129-E132 PolarHBondContact OG1-OE2 2.92Å; T129-I370 HydrophobicContact CG2-CG1 4.48Å; T129-I370 HydrophobicContact CG2-CG2 4.16Å; T129-L374 HydrophobicContact CG2-CD1 4.29Å
130G93.2Very high92.1Very high5 Ų552.4 Ų52.45%0.05224%0.24CC..SBendtrans88.5-18.4-17400000113.2E132 S135 M136G130-E132 PolarHBondContact N-OE2 3.26Å; G130-S135 VanDerWaalsContact C-CB 3.5Å; G130-S135 VanDerWaalsContact O-CB 3.31Å; G130-S135 WeakPolarHBondContact O-CB 3.38Å; G130-M136 WeakPolarHBondContact O-CG 3.45Å; G130-M136 PolarHBondContact O-N 3.37Å
131Y93.2Very high92.7Very high134 Ų13446.6 Ų46.653%0.52521%0.21SC..  trans-96.8-1.5-177.6-64.1-82.1000114F121 T129 M136 P371 L374F121-Y131 HydrophobicContact CD1-CD2 4.2Å; F121-Y131 AromaticContact CD1-CE2 3.92Å; F121-Y131 HydrophobicContact CD1-CE2 3.92Å; F121-Y131 HydrophobicContact CE1-CD2 4.37Å; F121-Y131 HydrophobicContact CE1-CE2 4.23Å; T129-Y131 VanDerWaalsContact O-CD2 3.28Å; T129-Y131 WeakPolarHBondContact O-CD2 3.31Å; T129-Y131 PolarHBondContact O-N 3.18Å; T129-Y131 PolarHBondContact OG1-N 2.88Å; Y131-M136 VanDerWaalsContact O-CE 3.31Å; Y131-M136 WeakPolarHBondContact O-CE 3.46Å; Y131-P371 WeakPolarHBondContact O-CG 3.23Å; Y131-L374 HydrophobicContact CD2-CD1 3.61Å; Y131-L374 HydrophobicContact CE2-CD1 4.45Å; Y131-L374 HydrophobicContact CG-CD1 3.96Å
132E92.6Very high93.1Very high7 Ų756.1 Ų56.13%0.03325%0.245CC..SBendtrans-66148.9170.4-54.277.3-170.100109.6Y128 T129 G130 T134 S135 M136 D369 I370Y128-E132 HydrophobicContact CD1-CG 4.45Å; T129-E132 WeakPolarHBondContact CB-OE1 3.41Å; T129-E132 PolarHBondContact N-OE1 2.92Å; T129-E132 PolarHBondContact N-OE2 3.49Å; T129-E132 VanDerWaalsContact OG1-CD 3.25Å; T129-E132 PolarHBondContact OG1-OE1 3.2Å; T129-E132 PolarHBondContact OG1-OE2 2.92Å; G130-E132 PolarHBondContact N-OE2 3.26Å; E132-T134 PolarHBondContact O-N 3.11Å; E132-S135 PolarHBondContact O-N 3.42Å; E132-S135 WeakPolarHBondContact OE2-CB 3.47Å; E132-S135 PolarHBondContact OE2-OG 2.82Å; E132-M136 PolarHBondContact O-N 3.3Å; E132-D369 HydrophobicContact CB-CB 4.4Å; E132-D369 HydrophobicContact CG-CB 4.39Å; E132-I370 HydrophobicContact CG-CG1 4.41Å
133P91.6Very high93.6Very high58 Ų5850.4 Ų50.438%0.37722%0.217SC..Hα-helixtrans-54.3-32.4-179.3-29.235.6000114.1R137P133-R137 WeakPolarHBondContact O-CG 3.38Å; P133-R137 PolarHBondContact O-N 3.11Å; P133-R137 PolarHBondContact O-NH1 2.68Å
134T93Very high94.1Very high17 Ų1744.8 Ų44.810%0.10420%0.198CC..Hα-helixtrans-73.7-48.3176.2-60.10000111.7A92 E132 M136 R137 A138 M171A92-T134 HydrophobicContact CB-CG2 3.89Å; E132-T134 PolarHBondContact O-N 3.11Å; T134-M136 VanDerWaalsContact C-N 3.34Å; T134-M136 PolarHBondContact O-N 2.84Å; T134-R137 WeakPolarHBondContact O-CB 3.44Å; T134-R137 PolarHBondContact O-N 3.39Å; T134-R137 PolarHBondContact OG1-NH2 3.19Å; T134-A138 PolarHBondContact O-N 2.8Å; T134-M171 HydrophobicContact CG2-CE 3.77Å
135S93.8Very high94.3Very high1 Ų144.8 Ų44.81%0.00720%0.198CC..Hα-helixtrans-56.5-47.1177.2-45.80000111.4M94 G130 E132 R137 A138 I139M94-S135 WeakPolarHBondContact CE-OG 3.49Å; G130-S135 VanDerWaalsContact C-CB 3.5Å; G130-S135 VanDerWaalsContact O-CB 3.31Å; G130-S135 WeakPolarHBondContact O-CB 3.38Å; E132-S135 PolarHBondContact O-N 3.42Å; E132-S135 WeakPolarHBondContact OE2-CB 3.47Å; E132-S135 PolarHBondContact OE2-OG 2.82Å; S135-R137 VanDerWaalsContact C-N 3.27Å; S135-R137 PolarHBondContact O-N 3.06Å; S135-A138 WeakPolarHBondContact O-CB 3.23Å; S135-A138 PolarHBondContact O-N 2.93Å; S135-I139 WeakPolarHBondContact O-CG1 3.41Å; S135-I139 PolarHBondContact O-N 3.19Å
136M94.1Very high94.5Very high77 Ų7748.3 Ų48.338%0.37921%0.214SC..Hα-helixtrans-62.7-29.5176.3-68.2-170.7-70.400113.8G130 Y131 E132 T134 R140G130-M136 WeakPolarHBondContact O-CG 3.45Å; G130-M136 PolarHBondContact O-N 3.37Å; Y131-M136 VanDerWaalsContact O-CE 3.31Å; Y131-M136 WeakPolarHBondContact O-CE 3.46Å; E132-M136 PolarHBondContact O-N 3.3Å; T134-M136 VanDerWaalsContact C-N 3.34Å; T134-M136 PolarHBondContact O-N 2.84Å; M136-R140 WeakPolarHBondContact O-CG 3.47Å; M136-R140 PolarHBondContact O-N 3.06Å; M136-R140 PolarHBondContact O-NE 3.36Å
137R94.5Very high94.8Very high42 Ų4251 Ų5116%0.15823%0.228CC..Hα-helixtrans-73-41.7172.8-75.3-172.1-46.8-85.82.5110.8P133 T134 S135 R140 A141P133-R137 WeakPolarHBondContact O-CG 3.38Å; P133-R137 PolarHBondContact O-N 3.11Å; P133-R137 PolarHBondContact O-NH1 2.68Å; T134-R137 WeakPolarHBondContact O-CB 3.44Å; T134-R137 PolarHBondContact O-N 3.39Å; T134-R137 PolarHBondContact OG1-NH2 3.19Å; S135-R137 VanDerWaalsContact C-N 3.27Å; S135-R137 PolarHBondContact O-N 3.06Å; R137-R140 PolarHBondContact O-N 3.42Å; R137-A141 WeakPolarHBondContact O-CB 3.26Å; R137-A141 PolarHBondContact O-N 3.09Å
138A96.4Very high95.1Very high0 Ų050.5 Ų50.50%022%0.223CC..Hα-helixtrans-62.6-46.5177.900000111.6M94 T134 S135 R140 A141 R142 Y143M94-A138 HydrophobicContact CB-CB 3.64Å; M94-A138 HydrophobicContact SD-CB 4.42Å; T134-A138 PolarHBondContact O-N 2.8Å; S135-A138 WeakPolarHBondContact O-CB 3.23Å; S135-A138 PolarHBondContact O-N 2.93Å; A138-R140 PolarHBondContact O-N 3.14Å; A138-A141 CarbonylContact O-C 3.59Å; A138-A141 PolarHBondContact O-N 2.9Å; A138-A141 VanDerWaalsContact O-N 3.13Å; A138-R142 PolarHBondContact O-N 2.81Å; A138-Y143 HydrophobicContact CB-CD1 3.83Å; A138-Y143 HydrophobicContact CB-CE1 3.62Å; A138-Y143 PolarHBondContact O-N 3.48Å
139I95.4Very high95.2Very high57 Ų5749.4 Ų49.429%0.29222%0.219SC..Hα-helixtrans-58.8-47.9176.9-65.9166.1000110.9S135 A141 R142 Y143S135-I139 WeakPolarHBondContact O-CG1 3.41Å; S135-I139 PolarHBondContact O-N 3.19Å; I139-A141 VanDerWaalsContact C-N 3.27Å; I139-A141 PolarHBondContact O-N 2.75Å; I139-R142 WeakPolarHBondContact O-CA 3.48Å; I139-R142 PolarHBondContact O-N 3.24Å; I139-Y143 HydrophobicContact CG1-CE2 3.93Å; I139-Y143 WeakPolarHBondContact CG1-OH 3.41Å
140R95.3Very high95.3Very high189 Ų18953.9 Ų53.971%0.71324%0.235SC*.Hα-helixtrans-61.5-34.4176.6-77.3-178.1-70.8170.9-6.6113.3M136 R137 A138 R142M136-R140 WeakPolarHBondContact O-CG 3.47Å; M136-R140 PolarHBondContact O-N 3.06Å; M136-R140 PolarHBondContact O-NE 3.36Å; R137-R140 PolarHBondContact O-N 3.42Å; A138-R140 PolarHBondContact O-N 3.14Å; R140-R142 PolarHBondContact O-N 3.07Å
141A96.2Very high95.3Very high7 Ų758.9 Ų58.96%0.05826%0.257CS..THydrogen-bonded Turntrans-83.26174.200000113.1R137 A138 I139 Y143 N144 I147 Q148R137-A141 WeakPolarHBondContact O-CB 3.26Å; R137-A141 PolarHBondContact O-N 3.09Å; A138-A141 CarbonylContact O-C 3.59Å; A138-A141 PolarHBondContact O-N 2.9Å; A138-A141 VanDerWaalsContact O-N 3.13Å; I139-A141 VanDerWaalsContact C-N 3.27Å; I139-A141 PolarHBondContact O-N 2.75Å; A141-Y143 PolarHBondContact O-N 2.93Å; A141-N144 VanDerWaalsContact O-CB 3.23Å; A141-N144 WeakPolarHBondContact O-CB 3.14Å; A141-N144 PolarHBondContact O-N 3.3Å; A141-I147 HydrophobicContact CB-CB 4.18Å; A141-I147 HydrophobicContact CB-CG2 3.8Å; A141-Q148 HydrophobicContact CB-CG 3.62Å
142R96.3Very high95.4Very high227 Ų22753.9 Ų53.986%0.85724%0.237SC*.THydrogen-bonded Turntrans50.539.7-174.8-56.8-178.5-179.8-179.9-0.8112.7A138 I139 R140 N144A138-R142 PolarHBondContact O-N 2.81Å; I139-R142 WeakPolarHBondContact O-CA 3.48Å; I139-R142 PolarHBondContact O-N 3.24Å; R140-R142 PolarHBondContact O-N 3.07Å; R142-N144 PolarHBondContact O-N 3.37Å
143Y96.2Very high95.4Very high24 Ų2454.1 Ų54.19%0.09424%0.238CC..THydrogen-bonded Turntrans57.316.8-176-68.3-84.9000115.1M94 C95 P97 Y123 T125 A138 I139 A141 P145 Q148M94-Y143 HydrophobicContact CB-CE1 4.23Å; M94-Y143 HydrophobicContact CG-CE1 4.06Å; M94-Y143 HydrophobicContact SD-CE1 4.15Å; C95-Y143 WeakPolarHBondContact O-CD1 3.35Å; C95-Y143 WeakPolarHBondContact O-CE1 3.22Å; P97-Y143 HydrophobicContact CG-CE2 4.05Å; Y123-Y143 PolarHBondContact O-OH 3.23Å; T125-Y143 HydrophobicContact CG2-CE1 4.01Å; A138-Y143 HydrophobicContact CB-CD1 3.83Å; A138-Y143 HydrophobicContact CB-CE1 3.62Å; A138-Y143 PolarHBondContact O-N 3.48Å; I139-Y143 HydrophobicContact CG1-CE2 3.93Å; I139-Y143 WeakPolarHBondContact CG1-OH 3.41Å; A141-Y143 PolarHBondContact O-N 2.93Å; Y143-P145 VanDerWaalsContact O-CD 3.25Å; Y143-P145 WeakPolarHBondContact O-CD 3.18Å; Y143-Q148 PolarHBondContact O-NE2 2.7Å
144N97.8Very high95.4Very high44 Ų4455.8 Ų55.824%0.23524%0.241CC..  trans-73.5115175.6-177.6-52.6000110A141 R142 F146 I147 Q148A141-N144 VanDerWaalsContact O-CB 3.23Å; A141-N144 WeakPolarHBondContact O-CB 3.14Å; A141-N144 PolarHBondContact O-N 3.3Å; R142-N144 PolarHBondContact O-N 3.37Å; N144-F146 PolarHBondContact O-N 3.01Å; N144-F146 WeakPolarHBondContact OD1-CB 3.46Å; N144-F146 PolarHBondContact OD1-N 3.18Å; N144-I147 HydrophobicContact CB-CB 4.13Å; N144-I147 HydrophobicContact CB-CD1 3.92Å; N144-I147 HydrophobicContact CB-CG1 4.1Å; N144-I147 PolarHBondContact O-N 2.94Å; N144-I147 PolarHBondContact OD1-N 3.39Å; N144-I147 VanDerWaalsContact OD1-N 3.07Å; N144-Q148 WeakPolarHBondContact O-CB 3.12Å; N144-Q148 VanDerWaalsContact O-CG 3.28Å; N144-Q148 WeakPolarHBondContact O-CG 3.33Å; N144-Q148 PolarHBondContact O-N 3.35Å
145P97.5Very high95.2Very high0 Ų058.7 Ų58.70%025%0.254CS..Hα-helixtrans-62.8-36.8-175.922.2-33.1000113.7Y143 T149 Y185 F186 S189 L190Y143-P145 VanDerWaalsContact O-CD 3.25Å; Y143-P145 WeakPolarHBondContact O-CD 3.18Å; P145-T149 WeakPolarHBondContact O-CB 2.84Å; P145-T149 PolarHBondContact O-N 2.88Å; P145-T149 PolarHBondContact O-OG1 2.99Å; P145-Y185 HydrophobicContact CG-CE1 4.03Å; P145-F186 HydrophobicContact CB-CD1 4.38Å; P145-F186 HydrophobicContact CB-CD2 3.78Å; P145-F186 HydrophobicContact CB-CE1 4.33Å; P145-F186 HydrophobicContact CB-CE2 3.72Å; P145-F186 HydrophobicContact CB-CG 4.12Å; P145-F186 HydrophobicContact CB-CZ 4.02Å; P145-F186 HydrophobicContact CG-CD2 3.82Å; P145-F186 HydrophobicContact CG-CE2 4.18Å; P145-F186 HydrophobicContact CG-CG 4.24Å; P145-S189 VanDerWaalsContact CG-CB 3.42Å; P145-L190 HydrophobicContact CB-CD2 3.81Å
146F97.4Very high94.9Very high75 Ų7558.8 Ų58.833%0.32925%0.254SS..Hα-helixtrans-64.5-48.6179-174.7-85.9000110.7N144 T149 R150 D192 A193N144-F146 PolarHBondContact O-N 3.01Å; N144-F146 WeakPolarHBondContact OD1-CB 3.46Å; N144-F146 PolarHBondContact OD1-N 3.18Å; F146-T149 PolarHBondContact O-N 3.37Å; F146-R150 HydrophobicContact CD1-CG 4Å; F146-R150 HydrophobicContact CE1-CG 3.67Å; F146-R150 HydrophobicContact CZ-CG 4.1Å; F146-R150 WeakPolarHBondContact O-CG 3.48Å; F146-R150 PolarHBondContact O-N 2.61Å; F146-D192 HydrophobicContact CD2-CB 4.42Å; F146-D192 HydrophobicContact CE2-CB 4.41Å; F146-A193 HydrophobicContact CD2-CB 3.7Å; F146-A193 HydrophobicContact CE2-CB 4.01Å; F146-A193 HydrophobicContact CG-CB 4.19Å
147I97.1Very high94.6Very high61 Ų6160.2 Ų60.231%0.31326%0.26SS..Hα-helixtrans-65.1-44.3179.1-61.8177.1000110.9A141 N144 T149 R150 H151A141-I147 HydrophobicContact CB-CB 4.18Å; A141-I147 HydrophobicContact CB-CG2 3.8Å; N144-I147 HydrophobicContact CB-CB 4.13Å; N144-I147 HydrophobicContact CB-CD1 3.92Å; N144-I147 HydrophobicContact CB-CG1 4.1Å; N144-I147 PolarHBondContact O-N 2.94Å; N144-I147 PolarHBondContact OD1-N 3.39Å; N144-I147 VanDerWaalsContact OD1-N 3.07Å; I147-T149 PolarHBondContact O-N 3.04Å; I147-R150 PolarHBondContact O-N 2.89Å; I147-H151 WeakPolarHBondContact CG2-CE1 3.37Å; I147-H151 WeakPolarHBondContact O-CB 3.46Å; I147-H151 PolarHBondContact O-N 3.24Å
148Q97.8Very high94.2Very high12 Ų1263.1 Ų63.16%0.05628%0.275CS..Hα-helixtrans-54.4-42175.4-76.1-176.577.600111.7V93 M94 A141 Y143 N144 R152V93-Q148 HydrophobicContact CG1-CB 4.12Å; M94-Q148 PolarHBondContact O-NE2 3.39Å; A141-Q148 HydrophobicContact CB-CG 3.62Å; Y143-Q148 PolarHBondContact O-NE2 2.7Å; N144-Q148 WeakPolarHBondContact O-CB 3.12Å; N144-Q148 VanDerWaalsContact O-CG 3.28Å; N144-Q148 WeakPolarHBondContact O-CG 3.33Å; N144-Q148 PolarHBondContact O-N 3.35Å; Q148-R152 VanDerWaalsContact O-CB 3.25Å; Q148-R152 WeakPolarHBondContact O-CB 3.23Å; Q148-R152 PolarHBondContact O-N 3.3Å
149T96.9Very high93.6Very high0 Ų064.4 Ų64.40%028%0.282CS..Hα-helixtrans-71.2-54.3-179.1-60.40000111.7P145 F146 I147 H151 R152 I153 F168 L190 A193 L194P145-T149 WeakPolarHBondContact O-CB 2.84Å; P145-T149 PolarHBondContact O-N 2.88Å; P145-T149 PolarHBondContact O-OG1 2.99Å; F146-T149 PolarHBondContact O-N 3.37Å; I147-T149 PolarHBondContact O-N 3.04Å; T149-H151 PolarHBondContact O-N 3.24Å; T149-R152 PolarHBondContact O-N 2.76Å; T149-R152 VanDerWaalsContact O-N 3.12Å; T149-I153 HydrophobicContact CG2-CD1 3.78Å; T149-I153 HydrophobicContact CG2-CG1 4.47Å; T149-I153 WeakPolarHBondContact O-CG1 3.43Å; T149-I153 PolarHBondContact O-N 3.5Å; T149-F168 HydrophobicContact CG2-CE1 3.62Å; T149-F168 HydrophobicContact CG2-CZ 3.68Å; T149-L190 WeakPolarHBondContact OG1-CD2 3.48Å; T149-A193 HydrophobicContact CG2-CB 3.51Å; T149-L194 HydrophobicContact CG2-CD2 4.1Å
150R95Very high92.8Very high94 Ų9462 Ų6236%0.35527%0.272SS..Hα-helixtrans-58.3-51.2-177.5-73.2-60.3-134.6-178.614.6112.1F146 I147 R152 I153 E154 A193F146-R150 HydrophobicContact CD1-CG 4Å; F146-R150 HydrophobicContact CE1-CG 3.67Å; F146-R150 HydrophobicContact CZ-CG 4.1Å; F146-R150 WeakPolarHBondContact O-CG 3.48Å; F146-R150 PolarHBondContact O-N 2.61Å; I147-R150 PolarHBondContact O-N 2.89Å; R150-R152 PolarHBondContact O-N 3.24Å; R150-I153 PolarHBondContact O-N 2.99Å; R150-I153 VanDerWaalsContact O-N 3.15Å; R150-E154 WeakPolarHBondContact O-CG 3.34Å; R150-E154 PolarHBondContact O-N 2.85Å; R150-A193 WeakPolarHBondContact CD-O 3.42Å; R150-A193 HydrophobicContact CG-CB 4.3Å; R150-A193 PolarHBondContact NH1-O 3.36Å
151H94.3Very high92.3Very high111 Ų11153.3 Ų53.351%0.51424%0.239SC..Hα-helixtrans-59.3-34.9178.2-70.4-179.3000112.1I147 T149 Q155I147-H151 WeakPolarHBondContact CG2-CE1 3.37Å; I147-H151 WeakPolarHBondContact O-CB 3.46Å; I147-H151 PolarHBondContact O-N 3.24Å; T149-H151 PolarHBondContact O-N 3.24Å; H151-Q155 VanDerWaalsContact O-CB 3.23Å; H151-Q155 WeakPolarHBondContact O-CB 3.44Å; H151-Q155 PolarHBondContact O-N 3.01Å
152R94.1Very high91.6Very high29 Ų2955 Ų5511%0.10925%0.249CC..Hα-helixtrans-73.3-39.1179.2-17554.2174-171.5-2.2112.3I91 Q148 T149 R150 L156I91-R152 HydrophobicContact CD1-CG 4.41Å; I91-R152 HydrophobicContact CG1-CG 4.17Å; I91-R152 HydrophobicContact CG2-CB 4.17Å; I91-R152 HydrophobicContact CG2-CG 3.96Å; Q148-R152 VanDerWaalsContact O-CB 3.25Å; Q148-R152 WeakPolarHBondContact O-CB 3.23Å; Q148-R152 PolarHBondContact O-N 3.3Å; T149-R152 PolarHBondContact O-N 2.76Å; T149-R152 VanDerWaalsContact O-N 3.12Å; R150-R152 PolarHBondContact O-N 3.24Å; R152-L156 HydrophobicContact CG-CD1 4.07Å; R152-L156 WeakPolarHBondContact O-CB 3.36Å; R152-L156 VanDerWaalsContact O-CG 3.24Å; R152-L156 WeakPolarHBondContact O-CG 3.27Å; R152-L156 PolarHBondContact O-N 3.13Å
153I92.6Very high91.1Very high11 Ų1144.3 Ų44.36%0.05621%0.209CC..Hα-helixtrans-62.4-50.8174.9-68.9170.3000109.8I91 T149 R150 Q155 L156 Q157 C163 L194I91-I153 HydrophobicContact CD1-CD1 4.11Å; I91-I153 HydrophobicContact CD1-CG1 3.41Å; I91-I153 VanDerWaalsContact CD1-CG1 3.41Å; T149-I153 HydrophobicContact CG2-CD1 3.78Å; T149-I153 HydrophobicContact CG2-CG1 4.47Å; T149-I153 WeakPolarHBondContact O-CG1 3.43Å; T149-I153 PolarHBondContact O-N 3.5Å; R150-I153 PolarHBondContact O-N 2.99Å; R150-I153 VanDerWaalsContact O-N 3.15Å; I153-Q155 VanDerWaalsContact C-N 3.33Å; I153-Q155 PolarHBondContact O-N 3.32Å; I153-L156 PolarHBondContact O-N 3.06Å; I153-L156 VanDerWaalsContact O-N 3.08Å; I153-Q157 HydrophobicContact CG2-CG 4.33Å; I153-Q157 WeakPolarHBondContact O-CG 3.42Å; I153-Q157 PolarHBondContact O-N 3.48Å; I153-C163 HydrophobicContact CG2-CB 4.13Å; I153-L194 HydrophobicContact CD1-CD2 3.38Å
154E91.9Very high90.8Very high94 Ų9445.6 Ų45.644%0.43922%0.217SC..Hα-helixtrans-57.6-46.4178.7-71.5166.8-171.900111.4R150 L156 Q157 Q158R150-E154 WeakPolarHBondContact O-CG 3.34Å; R150-E154 PolarHBondContact O-N 2.85Å; E154-L156 VanDerWaalsContact C-N 3.29Å; E154-L156 PolarHBondContact O-N 3.46Å; E154-Q157 PolarHBondContact O-N 2.9Å; E154-Q158 WeakPolarHBondContact O-CB 3.25Å; E154-Q158 VanDerWaalsContact O-CG 3.28Å; E154-Q158 WeakPolarHBondContact O-CG 3.28Å; E154-Q158 PolarHBondContact O-N 3.03Å
155Q89.1Confident90.4Very high78 Ų7845.6 Ų45.636%0.36422%0.215SC..Hα-helixtrans-58.9-40.3176.5-178.9179.451.300112.3H151 I153 L159H151-Q155 VanDerWaalsContact O-CB 3.23Å; H151-Q155 WeakPolarHBondContact O-CB 3.44Å; H151-Q155 PolarHBondContact O-N 3.01Å; I153-Q155 VanDerWaalsContact C-N 3.33Å; I153-Q155 PolarHBondContact O-N 3.32Å; Q155-L159 HydrophobicContact CG-CD1 4.28Å; Q155-L159 VanDerWaalsContact O-CG 3.27Å; Q155-L159 WeakPolarHBondContact O-CG 3.49Å; Q155-L159 PolarHBondContact O-N 3.1Å; Q155-L159 VanDerWaalsContact O-N 3.16Å
156L88.4Confident90.3Very high3 Ų345.6 Ų45.62%0.01622%0.215CC..Hα-helixtrans-74.4-37.6-178.8-72.3170.7000112V89 R152 I153 E154 Q158 L159 G160 H161V89-L156 HydrophobicContact CG1-CD1 3.34Å; R152-L156 HydrophobicContact CG-CD1 4.07Å; R152-L156 WeakPolarHBondContact O-CB 3.36Å; R152-L156 VanDerWaalsContact O-CG 3.24Å; R152-L156 WeakPolarHBondContact O-CG 3.27Å; R152-L156 PolarHBondContact O-N 3.13Å; I153-L156 PolarHBondContact O-N 3.06Å; I153-L156 VanDerWaalsContact O-N 3.08Å; E154-L156 VanDerWaalsContact C-N 3.29Å; E154-L156 PolarHBondContact O-N 3.46Å; L156-Q158 VanDerWaalsContact C-N 3.34Å; L156-L159 CarbonylContact O-C 3.5Å; L156-L159 PolarHBondContact O-N 2.94Å; L156-L159 VanDerWaalsContact O-N 3.14Å; L156-G160 PolarHBondContact O-N 3.05Å; L156-H161 HydrophobicContact CB-CB 4.33Å; L156-H161 WeakPolarHBondContact O-CB 3.23Å; L156-H161 PolarHBondContact O-CD2 2.95Å; L156-H161 PolarHBondContact O-N 3.08Å
157Q87Confident90.2Very high106 Ų10642.5 Ų42.550%0.49520%0.201SC..Hα-helixtrans-61.5-43.5171.9-71.6173-26.300111.3I153 E154 L159 G160 C163I153-Q157 HydrophobicContact CG2-CG 4.33Å; I153-Q157 WeakPolarHBondContact O-CG 3.42Å; I153-Q157 PolarHBondContact O-N 3.48Å; E154-Q157 PolarHBondContact O-N 2.9Å; Q157-L159 PolarHBondContact O-N 3.31Å; Q157-G160 PolarHBondContact O-N 2.95Å; Q157-C163 HydrophobicContact CG-CB 4.32Å
158Q85.1Confident90.3Very high104 Ų10439.6 Ų39.649%0.48619%0.187SC..Hα-helixtrans-61.1-27.6173.6-78.2176.63.600113.4V59 E154 L156 G160V59-Q158 HydrophobicContact CG1-CB 3.68Å; V59-Q158 HydrophobicContact CG1-CG 3.93Å; V59-Q158 HydrophobicContact CG2-CB 4.14Å; E154-Q158 WeakPolarHBondContact O-CB 3.25Å; E154-Q158 VanDerWaalsContact O-CG 3.28Å; E154-Q158 WeakPolarHBondContact O-CG 3.28Å; E154-Q158 PolarHBondContact O-N 3.03Å; L156-Q158 VanDerWaalsContact C-N 3.34Å; Q158-G160 VanDerWaalsContact C-N 3.29Å
159L83.8Confident90.3Very high27 Ų2740 Ų4014%0.14119%0.189CC..THydrogen-bonded Turntrans-88.38.2174.6-68.5172.4000113.2V59 A79 Q155 L156 Q157V59-L159 HydrophobicContact CG2-CD2 4.13Å; A79-L159 HydrophobicContact CB-CD2 4.01Å; Q155-L159 HydrophobicContact CG-CD1 4.28Å; Q155-L159 VanDerWaalsContact O-CG 3.27Å; Q155-L159 WeakPolarHBondContact O-CG 3.49Å; Q155-L159 PolarHBondContact O-N 3.1Å; Q155-L159 VanDerWaalsContact O-N 3.16Å; L156-L159 CarbonylContact O-C 3.5Å; L156-L159 PolarHBondContact O-N 2.94Å; L156-L159 VanDerWaalsContact O-N 3.14Å; Q157-L159 PolarHBondContact O-N 3.31Å
160G80.4Confident90.3Very high7 Ų740 Ų407%0.07219%0.189CC..THydrogen-bonded Turntrans82.814.3176.100000114.7L74 K78 L156 Q157 Q158L74-G160 WeakPolarHBondContact CD2-O 3.35Å; K78-G160 WeakPolarHBondContact CE-O 3.25Å; L156-G160 PolarHBondContact O-N 3.05Å; Q157-G160 PolarHBondContact O-N 2.95Å; Q158-G160 VanDerWaalsContact C-N 3.29Å
161H83.5Confident90.3Very high5 Ų536.6 Ų36.62%0.02318%0.177CC..  trans-90.2130.9175.6-58.3-85.2000111.5A79 S84 L156 C163A79-H161 PolarHBondContact O-CE1 3.47Å; A79-H161 VanDerWaalsContact O-CE1 3.31Å; A79-H161 PolarHBondContact O-NE2 3.2Å; A79-H161 VanDerWaalsContact O-NE2 3.1Å; S84-H161 PolarHBondContact OG-ND1 3.47Å; S84-H161 VanDerWaalsContact OG-ND1 3.1Å; L156-H161 HydrophobicContact CB-CB 4.33Å; L156-H161 WeakPolarHBondContact O-CB 3.23Å; L156-H161 PolarHBondContact O-CD2 2.95Å; L156-H161 PolarHBondContact O-N 3.08Å; H161-C163 PolarHBondContact O-SG 2.97Å
162T81.7Confident90.2Very high43 Ų4331.3 Ų31.326%0.26415%0.153SC..  trans-72125.6168.6480000109.5V89 P500V89-T162 VanDerWaalsContact CG2-O 3.27Å; V89-T162 WeakPolarHBondContact CG2-O 3.24Å; T162-P500 HydrophobicContact CG2-CG 4.42Å
163C86.5Confident90Very high3 Ų330.2 Ų30.22%0.0215%0.151CC..  trans-110.539.7-173.9-63.40000112.2I153 Q157 H161 T214I153-C163 HydrophobicContact CG2-CB 4.13Å; Q157-C163 HydrophobicContact CG-CB 4.32Å; H161-C163 PolarHBondContact O-SG 2.97Å; C163-T214 WeakPolarHBondContact O-CG2 3.39Å
164D88.3Confident90Very high50 Ų5029.9 Ų29.927%0.26715%0.149SC..SBendtrans-80.1-23.3-177.2-58.3-40.1000113.2K215 P500 V501D164-K215 PolarHBondContact O-N 2.94Å; D164-P500 VanDerWaalsContact OD2-CA 3.26Å; D164-P500 WeakPolarHBondContact OD2-CA 3.16Å; D164-V501 HydrophobicContact CB-CG2 4.27Å
165K91.1Very high90.2Very high45 Ų4525.4 Ų25.420%0.19613%0.128CC..EExtended strand (participates in β ladder)trans-124.9112.4177.5-65.4177.5-175173.90108.8I88 V89 K215 V217I88-K165 HydrophobicContact CG2-CB 4.17Å; V89-K165 PolarHBondContact N-O 3.03Å; K165-K215 WeakPolarHBondContact CA-O 3.49Å; K165-V217 HydrophobicContact CB-CG1 3.79Å; K165-V217 HydrophobicContact CB-CG2 4.31Å; K165-V217 HydrophobicContact CD-CG1 4.4Å; K165-V217 HydrophobicContact CG-CG1 3.92Å
166V94.8Very high90.5Very high0 Ų022 Ų220%011%0.112CC..EExtended strand (participates in β ladder)trans-112.7126.9-177.8172.80000109.8V89 I91 F168 L194 T214 K215 C216 V217V89-V166 WeakPolarHBondContact O-CA 3.48Å; I91-V166 HydrophobicContact CB-CG1 4.15Å; I91-V166 HydrophobicContact CD1-CG1 3.65Å; I91-V166 HydrophobicContact CD1-CG2 4.1Å; I91-V166 HydrophobicContact CG1-CG1 3.86Å; V166-F168 HydrophobicContact CG1-CD1 4.27Å; V166-F168 HydrophobicContact CG1-CD2 4.25Å; V166-F168 HydrophobicContact CG1-CE1 4Å; V166-F168 HydrophobicContact CG1-CE2 3.99Å; V166-F168 HydrophobicContact CG1-CG 4.4Å; V166-F168 HydrophobicContact CG1-CZ 3.85Å; V166-L194 HydrophobicContact CB-CD1 4.06Å; V166-L194 HydrophobicContact CB-CD2 4.37Å; V166-L194 HydrophobicContact CG1-CD1 4.23Å; V166-L194 HydrophobicContact CG1-CD2 4.37Å; V166-L194 HydrophobicContact CG2-CD2 4.16Å; V166-T214 HydrophobicContact CB-CG2 4.42Å; V166-T214 HydrophobicContact CG2-CG2 3.67Å; V166-K215 PolarHBondContact N-O 3.17Å; V166-C216 CarbonylContact O-C 3.52Å; V166-V217 WeakPolarHBondContact O-CG2 3.47Å; V166-V217 PolarHBondContact O-N 3.27Å
167E95.8Very high90.8Very high9 Ų923.9 Ų23.94%0.04213%0.126CC..EExtended strand (participates in β ladder)trans-107.6123.2165.7174.7162.8-128.800108.9I88 V89 V90 I91 V217 G218 R243I88-E167 HydrophobicContact CD1-CB 4.03Å; I88-E167 VanDerWaalsContact CD1-OE2 3.3Å; I88-E167 WeakPolarHBondContact CD1-OE2 3.39Å; V89-E167 PolarHBondContact O-N 3.03Å; V90-E167 CarbonylContact C-O 3.53Å; V90-E167 WeakPolarHBondContact CA-O 3.34Å; I91-E167 PolarHBondContact N-O 3.4Å; E167-V217 HydrophobicContact CB-CG2 4.18Å; E167-G218 CarbonylContact C-O 3.36Å; E167-G218 WeakPolarHBondContact CA-O 3.48Å; E167-R243 IonicContact OE1-CZ 2.61Å; E167-R243 IonicContact OE1-NE 3.51Å; E167-R243 IonicContact OE1-NH1 3.19Å; E167-R243 PolarHBondContact OE1-NH1 2.97Å; E167-R243 IonicContact OE1-NH2 3.79Å; E167-R243 PolarHBondContact OE1-NH2 3.41Å; E167-R243 IonicContact OE2-CZ 3.13Å; E167-R243 IonicContact OE2-NH1 2.67Å; E167-R243 PolarHBondContact OE2-NH1 3.33Å; E167-R243 VanDerWaalsContact OE2-NH1 3.13Å; E167-R243 IonicContact OE2-NH2 3.04Å; E167-R243 PolarHBondContact OE2-NH2 3.07Å
168F98Very high91.2Very high0 Ų019.6 Ų19.60%011%0.106CC..EExtended strand (participates in β ladder)trans-87.1145.3175.4-69.2-71.8000111.6I91 V93 T149 V166 L190 L194 G218 I219 T220I91-F168 HydrophobicContact CB-CD1 3.87Å; I91-F168 HydrophobicContact CB-CE1 4.02Å; I91-F168 HydrophobicContact CG2-CD1 3.91Å; I91-F168 HydrophobicContact CG2-CE1 3.85Å; I91-F168 CarbonylContact O-C 3.59Å; I91-F168 WeakPolarHBondContact O-CA 3.36Å; V93-F168 HydrophobicContact CG1-CD1 4.36Å; T149-F168 HydrophobicContact CG2-CE1 3.62Å; T149-F168 HydrophobicContact CG2-CZ 3.68Å; V166-F168 HydrophobicContact CG1-CD1 4.27Å; V166-F168 HydrophobicContact CG1-CD2 4.25Å; V166-F168 HydrophobicContact CG1-CE1 4Å; V166-F168 HydrophobicContact CG1-CE2 3.99Å; V166-F168 HydrophobicContact CG1-CG 4.4Å; V166-F168 HydrophobicContact CG1-CZ 3.85Å; F168-L190 HydrophobicContact CB-CD1 4.42Å; F168-L190 HydrophobicContact CD1-CD1 4.38Å; F168-L190 HydrophobicContact CD1-CD2 4.41Å; F168-L190 HydrophobicContact CD2-CB 4.3Å; F168-L190 HydrophobicContact CD2-CD1 4.41Å; F168-L190 HydrophobicContact CE1-CB 4.42Å; F168-L190 HydrophobicContact CE1-CD2 4.22Å; F168-L190 HydrophobicContact CE2-CB 3.94Å; F168-L190 HydrophobicContact CG-CD1 4.18Å; F168-L190 HydrophobicContact CZ-CB 4.01Å; F168-L194 HydrophobicContact CE2-CD1 3.48Å; F168-L194 VanDerWaalsContact CE2-CD1 3.48Å; F168-L194 HydrophobicContact CE2-CG 3.98Å; F168-L194 HydrophobicContact CZ-CD1 3.79Å; F168-L194 HydrophobicContact CZ-CD2 3.95Å; F168-L194 HydrophobicContact CZ-CG 3.81Å; F168-G218 PolarHBondContact N-O 2.94Å; F168-I219 HydrophobicContact CB-CG1 4.18Å; F168-I219 HydrophobicContact CB-CG2 4.48Å; F168-I219 HydrophobicContact CD2-CG1 4.07Å; F168-T220 WeakPolarHBondContact O-CB 3.41Å; F168-T220 PolarHBondContact O-N 3.1Å
169I97.5Very high91.7Very high21 Ų2118 Ų1811%0.10811%0.106CC..EExtended strand (participates in β ladder)trans-122.5112.8163.8-54.2179.5000107.3V90 I91 V93 M171 T220V90-I169 HydrophobicContact CG1-CD1 3.39Å; V90-I169 HydrophobicContact CG1-CG1 3.77Å; I91-I169 PolarHBondContact O-N 3.07Å; V93-I169 PolarHBondContact N-O 2.85Å; V93-I169 VanDerWaalsContact O-O 3.09Å; I169-M171 HydrophobicContact CB-CE 4.4Å; I169-M171 HydrophobicContact CG2-CE 4.23Å; I169-M171 HydrophobicContact CG2-CG 3.97Å; I169-T220 WeakPolarHBondContact CA-O 3.3Å; I169-T220 HydrophobicContact CG2-CG2 4.42Å
170V97.9Very high92.3Very high0 Ų022.4 Ų22.40%013%0.126CC..EExtended strand (participates in β ladder)trans-87.4110.6175.8-175.90000108.3V93 F175 F186 I187 L190 I219 T220 I221 E222V93-V170 HydrophobicContact CG2-CG2 4.12Å; V170-F175 HydrophobicContact CG1-CB 4.34Å; V170-F175 HydrophobicContact CG1-CD1 4.47Å; V170-F175 HydrophobicContact CG1-CD2 3.71Å; V170-F175 HydrophobicContact CG1-CE2 4.09Å; V170-F175 HydrophobicContact CG1-CG 3.92Å; V170-F186 HydrophobicContact CG1-CD1 4.38Å; V170-F186 HydrophobicContact CG1-CE1 3.78Å; V170-F186 HydrophobicContact CG1-CZ 4.4Å; V170-F186 HydrophobicContact CG2-CE1 4.14Å; V170-I187 HydrophobicContact CG2-CD1 4.48Å; V170-L190 HydrophobicContact CG2-CD1 4.12Å; V170-I219 HydrophobicContact CG2-CG2 4.11Å; V170-T220 PolarHBondContact N-O 2.92Å; V170-I221 HydrophobicContact CB-CG1 4.29Å; V170-I221 HydrophobicContact CG2-CG1 4.31Å; V170-E222 WeakPolarHBondContact O-CB 3.38Å; V170-E222 PolarHBondContact O-N 2.87Å
171M95.2Very high93.2Very high22 Ų2228.5 Ų28.511%0.10816%0.157CC..EExtended strand (participates in β ladder)trans-109.4165.1-179.8-73.1177.4-90.800111.4A92 V93 M94 C95 Y128 T134 I169A92-M171 HydrophobicContact CB-CE 3.1Å; V93-M171 PolarHBondContact O-N 3.39Å; M94-M171 CarbonylContact C-O 3.43Å; M94-M171 VanDerWaalsContact CA-O 3.3Å; M94-M171 WeakPolarHBondContact CA-O 3.25Å; M94-M171 HydrophobicContact CE-CB 4.36Å; C95-M171 PolarHBondContact N-O 3.34Å; C95-M171 PolarHBondContact SG-O 2.91Å; C95-M171 VanDerWaalsContact SG-O 3.4Å; Y128-M171 HydrophobicContact CE1-SD 4.33Å; Y128-M171 WeakPolarHBondContact OH-CG 3.24Å; T134-M171 HydrophobicContact CG2-CE 3.77Å; I169-M171 HydrophobicContact CB-CE 4.4Å; I169-M171 HydrophobicContact CG2-CE 4.23Å; I169-M171 HydrophobicContact CG2-CG 3.97Å
172G91.1Very high93.8Very high0 Ų029.7 Ų29.70%016%0.161CC..SBendtrans124.241.6169.300000113.8C95 H98 E222C95-G172 PolarHBondContact SG-O 2.88Å; C95-G172 VanDerWaalsContact SG-O 3.37Å; H98-G172 PolarHBondContact CE1-O 3.42Å; G172-E222 PolarHBondContact N-OE2 2.91Å
173G89.5Confident94.6Very high6 Ų628 Ų286%0.06215%0.15CC..SBendtrans87.9-131.9179.900000111.8F175G173-F175 PolarHBondContact O-N 3.02Å
174T93.7Very high95.2Very high4 Ų429.1 Ų29.13%0.02516%0.156CC..  trans-100.282.9-173.1-48.50000109.9H98 P101 M176 C177 R224 Y227H98-T174 PolarHBondContact NE2-O 3.18Å; P101-T174 HydrophobicContact CG-CG2 4.23Å; T174-M176 PolarHBondContact O-N 3.37Å; T174-C177 HydrophobicContact CG2-CB 4.04Å; T174-C177 VanDerWaalsContact O-CB 3.23Å; T174-C177 WeakPolarHBondContact O-CB 3.23Å; T174-C177 PolarHBondContact O-N 2.93Å; T174-R224 HydrophobicContact CG2-CB 4.29Å; T174-R224 HydrophobicContact CG2-CG 4.15Å; T174-R224 WeakPolarHBondContact OG1-CD 3.43Å; T174-R224 VanDerWaalsContact OG1-CG 3.27Å; T174-R224 WeakPolarHBondContact OG1-CG 3.45Å; T174-Y227 HydrophobicContact CG2-CD1 4.25Å; T174-Y227 HydrophobicContact CG2-CD2 3.55Å; T174-Y227 HydrophobicContact CG2-CE2 4.08Å; T174-Y227 HydrophobicContact CG2-CG 3.64Å
175F96.1Very high95.6Very high1 Ų130.4 Ų30.40%0.00416%0.158CC..G310 helixtrans-51.9-37.6-175.6177.4-106.5000113C95 V170 G173 C177 L178 Y182 R183 F186 I187 I221 Y239C95-F175 HydrophobicContact CB-CD2 3.9Å; C95-F175 HydrophobicContact CB-CE2 4.32Å; V170-F175 HydrophobicContact CG1-CB 4.34Å; V170-F175 HydrophobicContact CG1-CD1 4.47Å; V170-F175 HydrophobicContact CG1-CD2 3.71Å; V170-F175 HydrophobicContact CG1-CE2 4.09Å; V170-F175 HydrophobicContact CG1-CG 3.92Å; G173-F175 PolarHBondContact O-N 3.02Å; F175-C177 PolarHBondContact O-N 3.24Å; F175-L178 HydrophobicContact CD2-CD1 4.07Å; F175-L178 WeakPolarHBondContact O-CB 3.36Å; F175-L178 PolarHBondContact O-N 2.99Å; F175-L178 VanDerWaalsContact O-N 3.17Å; F175-Y182 HydrophobicContact CE2-CE1 4.43Å; F175-R183 HydrophobicContact CD1-CG 4.49Å; F175-R183 HydrophobicContact CE1-CB 4.08Å; F175-R183 HydrophobicContact CE1-CG 3.94Å; F175-R183 HydrophobicContact CE2-CG 4.35Å; F175-R183 HydrophobicContact CZ-CB 3.91Å; F175-R183 HydrophobicContact CZ-CG 3.87Å; F175-R183 WeakPolarHBondContact O-CD 3.31Å; F175-F186 HydrophobicContact CE2-CB 4.02Å; F175-F186 AromaticContact CE2-CD1 3.83Å; F175-F186 HydrophobicContact CE2-CD1 3.83Å; F175-F186 HydrophobicContact CE2-CE1 4.47Å; F175-F186 AromaticContact CE2-CG 3.91Å; F175-F186 HydrophobicContact CE2-CG 3.91Å; F175-F186 HydrophobicContact CZ-CB 4.11Å; F175-F186 HydrophobicContact CZ-CD1 4.1Å; F175-F186 HydrophobicContact CZ-CG 4.32Å; F175-I187 HydrophobicContact CE1-CD1 4.14Å; F175-I187 HydrophobicContact CE1-CG1 4.23Å; F175-I187 HydrophobicContact CZ-CD1 4.09Å; F175-I187 HydrophobicContact CZ-CG1 4.07Å; F175-I221 HydrophobicContact CB-CG2 3.94Å; F175-I221 HydrophobicContact CD1-CD1 4.24Å; F175-I221 HydrophobicContact CD1-CG2 3.9Å; F175-I221 HydrophobicContact CE1-CD1 4.36Å; F175-I221 HydrophobicContact CG-CG2 4.3Å; F175-Y239 HydrophobicContact CE1-CE2 4.38Å
176M95.4Very high96Very high5 Ų528.3 Ų28.33%0.02515%0.148CC..G310 helixtrans-71.1-10.7-179.2-62.1-53.2-77.700115.2T174 L178 R183 Y227 H232 E235 M236 Y239T174-M176 PolarHBondContact O-N 3.37Å; M176-L178 VanDerWaalsContact C-N 3.29Å; M176-R183 PolarHBondContact O-NH1 3.4Å; M176-Y227 HydrophobicContact CB-CD1 3.82Å; M176-Y227 HydrophobicContact CB-CG 4.3Å; M176-H232 HydrophobicContact CE-CB 3.9Å; M176-H232 WeakPolarHBondContact CE-O 3.33Å; M176-E235 HydrophobicContact CE-CB 3.99Å; M176-E235 VanDerWaalsContact CE-OE2 3.27Å; M176-E235 WeakPolarHBondContact CE-OE2 3.41Å; M176-M236 HydrophobicContact CB-CE 4.5Å; M176-M236 HydrophobicContact CE-CE 3.98Å; M176-M236 HydrophobicContact CE-CG 3.79Å; M176-M236 HydrophobicContact CG-CE 3.19Å; M176-M236 HydrophobicContact SD-CE 3.71Å; M176-M236 HydrophobicContact SD-CG 3.87Å; M176-Y239 HydrophobicContact CE-CE2 4.36Å; M176-Y239 HydrophobicContact SD-CE2 4.31Å
177C94.2Very high96.2Very high44 Ų4428.3 Ų28.330%0.29715%0.148SC..G310 helixtrans-75.9-20.1172.5-178.40000112.4P101 T174 F175 Y227P101-C177 HydrophobicContact CB-CB 4.41Å; P101-C177 HydrophobicContact CG-CB 4.05Å; T174-C177 HydrophobicContact CG2-CB 4.04Å; T174-C177 VanDerWaalsContact O-CB 3.23Å; T174-C177 WeakPolarHBondContact O-CB 3.23Å; T174-C177 PolarHBondContact O-N 2.93Å; F175-C177 PolarHBondContact O-N 3.24Å; C177-Y227 HydrophobicContact CB-CE1 3.9Å
178L95.5Very high96.3Very high16 Ų1630.8 Ų30.88%0.08416%0.157CC..SBendtrans-71153.3179.9-66.1163.5000110.9C95 K96 H98 F175 M176 Y182 R183C95-L178 HydrophobicContact CB-CD1 4.02Å; K96-L178 HydrophobicContact CG-CD2 4.33Å; H98-L178 HydrophobicContact CB-CD2 3.79Å; F175-L178 HydrophobicContact CD2-CD1 4.07Å; F175-L178 WeakPolarHBondContact O-CB 3.36Å; F175-L178 PolarHBondContact O-N 2.99Å; F175-L178 VanDerWaalsContact O-N 3.17Å; M176-L178 VanDerWaalsContact C-N 3.29Å; L178-Y182 HydrophobicContact CB-CD1 3.92Å; L178-Y182 HydrophobicContact CD1-CD1 3.63Å; L178-Y182 HydrophobicContact CD1-CE1 3.55Å; L178-Y182 HydrophobicContact CD2-CD1 4.43Å; L178-Y182 HydrophobicContact CG-CD1 4.21Å; L178-R183 HydrophobicContact CB-CG 4.06Å; L178-R183 VanDerWaalsContact O-CD 3.25Å; L178-R183 WeakPolarHBondContact O-CD 3.19Å; L178-R183 PolarHBondContact O-NE 3.27Å
179S96.2Very high96.3Very high69 Ų6931.3 Ų31.348%0.48316%0.161SC..  trans-53.4145177.154.90000112.1D181 Y182 R183S179-D181 VanDerWaalsContact C-N 3.29Å; S179-D181 PolarHBondContact O-N 2.98Å; S179-Y182 PolarHBondContact O-N 2.84Å; S179-Y182 WeakPolarHBondContact OG-CB 3.39Å; S179-R183 WeakPolarHBondContact O-CG 3.34Å; S179-R183 PolarHBondContact O-N 2.88Å
180E96.3Very high96.3Very high121 Ų12130.3 Ų30.357%0.56516%0.156SC*.Hα-helixtrans-48.9-47.4176-79.3175.5-147.100112.9Y182 R183 D184E180-Y182 VanDerWaalsContact C-N 3.27Å; E180-Y182 PolarHBondContact O-N 3.31Å; E180-R183 PolarHBondContact O-N 2.85Å; E180-R183 IonicContact OE1-NH2 3.5Å; E180-D184 PolarHBondContact O-N 3.27Å
181D97.8Very high96.3Very high135 Ų13530.3 Ų30.372%0.72216%0.156SC*.Hα-helixtrans-58.2-38.1179.1-59.8-23.3000113.3S179 Y185S179-D181 VanDerWaalsContact C-N 3.29Å; S179-D181 PolarHBondContact O-N 2.98Å; D181-Y185 VanDerWaalsContact O-CB 3.24Å; D181-Y185 WeakPolarHBondContact O-CB 3.38Å; D181-Y185 PolarHBondContact O-N 3.2Å
182Y97.9Very high96.4Very high29 Ų2929.8 Ų29.811%0.11415%0.153CC..Hα-helixtrans-73.3-39.9178-179.1-92000110.8C95 K96 F175 L178 S179 E180 Y185 F186C95-Y182 HydrophobicContact CB-CE1 4.15Å; K96-Y182 HydrophobicContact CB-CE2 4.36Å; K96-Y182 HydrophobicContact CD-CD2 3.94Å; K96-Y182 HydrophobicContact CD-CE1 4.48Å; K96-Y182 HydrophobicContact CD-CE2 3.57Å; K96-Y182 HydrophobicContact CG-CE1 4.1Å; K96-Y182 HydrophobicContact CG-CE2 3.88Å; K96-Y182 PolarHBondContact N-OH 3.46Å; F175-Y182 HydrophobicContact CE2-CE1 4.43Å; L178-Y182 HydrophobicContact CB-CD1 3.92Å; L178-Y182 HydrophobicContact CD1-CD1 3.63Å; L178-Y182 HydrophobicContact CD1-CE1 3.55Å; L178-Y182 HydrophobicContact CD2-CD1 4.43Å; L178-Y182 HydrophobicContact CG-CD1 4.21Å; S179-Y182 PolarHBondContact O-N 2.84Å; S179-Y182 WeakPolarHBondContact OG-CB 3.39Å; E180-Y182 VanDerWaalsContact C-N 3.27Å; E180-Y182 PolarHBondContact O-N 3.31Å; Y182-Y185 PolarHBondContact O-N 2.83Å; Y182-F186 HydrophobicContact CE1-CB 4.29Å; Y182-F186 HydrophobicContact CE1-CD2 4.05Å; Y182-F186 HydrophobicContact CE1-CG 4.46Å; Y182-F186 AromaticContact CZ-CD2 3.91Å; Y182-F186 VanDerWaalsContact O-CB 3.23Å; Y182-F186 WeakPolarHBondContact O-CB 3.33Å; Y182-F186 PolarHBondContact O-N 3.16Å; Y182-F186 WeakPolarHBondContact OH-CD2 3.31Å
183R97.9Very high96.7Very high7 Ų729.8 Ų29.83%0.02615%0.153CC..Hα-helixtrans-65.7-44.9178.7-65.2-176.8-63.3160.38.5110.8F175 M176 L178 S179 E180 F186 I187 E235F175-R183 HydrophobicContact CD1-CG 4.49Å; F175-R183 HydrophobicContact CE1-CB 4.08Å; F175-R183 HydrophobicContact CE1-CG 3.94Å; F175-R183 HydrophobicContact CE2-CG 4.35Å; F175-R183 HydrophobicContact CZ-CB 3.91Å; F175-R183 HydrophobicContact CZ-CG 3.87Å; F175-R183 WeakPolarHBondContact O-CD 3.31Å; M176-R183 PolarHBondContact O-NH1 3.4Å; L178-R183 HydrophobicContact CB-CG 4.06Å; L178-R183 VanDerWaalsContact O-CD 3.25Å; L178-R183 WeakPolarHBondContact O-CD 3.19Å; L178-R183 PolarHBondContact O-NE 3.27Å; S179-R183 WeakPolarHBondContact O-CG 3.34Å; S179-R183 PolarHBondContact O-N 2.88Å; E180-R183 PolarHBondContact O-N 2.85Å; E180-R183 IonicContact OE1-NH2 3.5Å; R183-F186 PolarHBondContact O-N 3.01Å; R183-I187 WeakPolarHBondContact O-CG1 3.37Å; R183-I187 PolarHBondContact O-N 3.21Å; R183-E235 IonicContact CZ-OE2 2.8Å; R183-E235 IonicContact NH1-OE2 3.01Å; R183-E235 PolarHBondContact NH1-OE2 3.15Å; R183-E235 IonicContact NH2-OE1 3.66Å; R183-E235 IonicContact NH2-OE2 3.98Å; R183-E235 PolarHBondContact NH2-OE2 3.27Å
184D98.3Very high97Very high27 Ų2730 Ų3014%0.14415%0.153CC..Hα-helixtrans-56.5-55.7171.9179.2-74.5000110.5E180 F186 I187 R188 V202E180-D184 PolarHBondContact O-N 3.27Å; D184-F186 PolarHBondContact O-N 3.35Å; D184-I187 PolarHBondContact O-N 3.47Å; D184-R188 WeakPolarHBondContact O-CB 3.29Å; D184-R188 WeakPolarHBondContact O-CG 3.44Å; D184-R188 PolarHBondContact O-N 3.12Å; D184-R188 WeakPolarHBondContact OD1-CD 3.41Å; D184-R188 IonicContact OD1-CZ 2.64Å; D184-R188 IonicContact OD1-NE 2.73Å; D184-V202 WeakPolarHBondContact OD2-CB 3.4Å; D184-V202 WeakPolarHBondContact OD2-CG1 3.45Å; D184-V202 PolarHBondContact OD2-N 2.69Å
185Y98.3Very high97.1Very high78 Ų7831.4 Ų31.431%0.30616%0.163SC..Hα-helixtrans-53.4-43.2178.5166.9-103.1000112.3P145 D181 Y182 R188 S189P145-Y185 HydrophobicContact CG-CE1 4.03Å; D181-Y185 VanDerWaalsContact O-CB 3.24Å; D181-Y185 WeakPolarHBondContact O-CB 3.38Å; D181-Y185 PolarHBondContact O-N 3.2Å; Y182-Y185 PolarHBondContact O-N 2.83Å; Y185-R188 WeakPolarHBondContact O-CG 3.5Å; Y185-S189 VanDerWaalsContact O-CB 3.27Å; Y185-S189 WeakPolarHBondContact O-CB 3.47Å; Y185-S189 PolarHBondContact O-N 3.02Å; Y185-S189 PolarHBondContact O-OG 3.41Å
186F98.5Very high96.9Very high0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-66.3-52.4-177.5-165.5-85.5000111.5V93 C95 P145 V170 F175 Y182 R183 D184 S189 L190V93-F186 HydrophobicContact CB-CZ 4.22Å; V93-F186 HydrophobicContact CG2-CE1 3.85Å; V93-F186 HydrophobicContact CG2-CZ 3.92Å; C95-F186 HydrophobicContact CB-CE2 4.15Å; C95-F186 HydrophobicContact CB-CZ 4.42Å; P145-F186 HydrophobicContact CB-CD1 4.38Å; P145-F186 HydrophobicContact CB-CD2 3.78Å; P145-F186 HydrophobicContact CB-CE1 4.33Å; P145-F186 HydrophobicContact CB-CE2 3.72Å; P145-F186 HydrophobicContact CB-CG 4.12Å; P145-F186 HydrophobicContact CB-CZ 4.02Å; P145-F186 HydrophobicContact CG-CD2 3.82Å; P145-F186 HydrophobicContact CG-CE2 4.18Å; P145-F186 HydrophobicContact CG-CG 4.24Å; V170-F186 HydrophobicContact CG1-CD1 4.38Å; V170-F186 HydrophobicContact CG1-CE1 3.78Å; V170-F186 HydrophobicContact CG1-CZ 4.4Å; V170-F186 HydrophobicContact CG2-CE1 4.14Å; F175-F186 HydrophobicContact CE2-CB 4.02Å; F175-F186 AromaticContact CE2-CD1 3.83Å; F175-F186 HydrophobicContact CE2-CD1 3.83Å; F175-F186 HydrophobicContact CE2-CE1 4.47Å; F175-F186 AromaticContact CE2-CG 3.91Å; F175-F186 HydrophobicContact CE2-CG 3.91Å; F175-F186 HydrophobicContact CZ-CB 4.11Å; F175-F186 HydrophobicContact CZ-CD1 4.1Å; F175-F186 HydrophobicContact CZ-CG 4.32Å; Y182-F186 HydrophobicContact CE1-CB 4.29Å; Y182-F186 HydrophobicContact CE1-CD2 4.05Å; Y182-F186 HydrophobicContact CE1-CG 4.46Å; Y182-F186 AromaticContact CZ-CD2 3.91Å; Y182-F186 VanDerWaalsContact O-CB 3.23Å; Y182-F186 WeakPolarHBondContact O-CB 3.33Å; Y182-F186 PolarHBondContact O-N 3.16Å; Y182-F186 WeakPolarHBondContact OH-CD2 3.31Å; R183-F186 PolarHBondContact O-N 3.01Å; D184-F186 PolarHBondContact O-N 3.35Å; F186-S189 WeakPolarHBondContact O-CB 3.01Å; F186-S189 PolarHBondContact O-N 3.01Å; F186-L190 HydrophobicContact CD1-CD1 4.24Å; F186-L190 HydrophobicContact CD1-CG 4.44Å; F186-L190 HydrophobicContact CE1-CD1 4.03Å; F186-L190 HydrophobicContact CE1-CD2 4.33Å; F186-L190 HydrophobicContact CE1-CG 4.37Å; F186-L190 WeakPolarHBondContact O-CG 3.49Å; F186-L190 PolarHBondContact O-N 3.27Å
187I98.3Very high96.9Very high0 Ų036 Ų360%020%0.198CC..Hα-helixtrans-67.8-45-176.9-62.5-62.4000111.5V170 F175 R183 D184 S189 L190 H191 V202 Y239V170-I187 HydrophobicContact CG2-CD1 4.48Å; F175-I187 HydrophobicContact CE1-CD1 4.14Å; F175-I187 HydrophobicContact CE1-CG1 4.23Å; F175-I187 HydrophobicContact CZ-CD1 4.09Å; F175-I187 HydrophobicContact CZ-CG1 4.07Å; R183-I187 WeakPolarHBondContact O-CG1 3.37Å; R183-I187 PolarHBondContact O-N 3.21Å; D184-I187 PolarHBondContact O-N 3.47Å; I187-S189 PolarHBondContact O-N 3.46Å; I187-L190 HydrophobicContact CD1-CD1 4.38Å; I187-L190 WeakPolarHBondContact O-CB 3.42Å; I187-L190 PolarHBondContact O-N 3.43Å; I187-H191 PolarHBondContact O-N 3.09Å; I187-V202 HydrophobicContact CB-CG2 4.01Å; I187-V202 HydrophobicContact CG2-CG2 3.48Å; I187-V202 VanDerWaalsContact CG2-CG2 3.48Å; I187-Y239 HydrophobicContact CB-CD1 4.42Å; I187-Y239 HydrophobicContact CB-CG 4.36Å; I187-Y239 HydrophobicContact CD1-CD2 4.42Å; I187-Y239 HydrophobicContact CD1-CG 4.49Å; I187-Y239 HydrophobicContact CG1-CD1 4.23Å; I187-Y239 HydrophobicContact CG1-CD2 3.93Å; I187-Y239 HydrophobicContact CG1-CE2 4.45Å; I187-Y239 HydrophobicContact CG1-CG 3.83Å; I187-Y239 HydrophobicContact CG2-CD1 4.25Å; I187-Y239 HydrophobicContact CG2-CG 4.1Å
188R97.7Very high97Very high62 Ų6239.6 Ų39.623%0.23422%0.219CC..Hα-helixtrans-57.9-40.4178.177.1178.1166.8174.1-27.5111D184 Y185 L190 H191 D192 S199 Q200 A205D184-R188 WeakPolarHBondContact O-CB 3.29Å; D184-R188 WeakPolarHBondContact O-CG 3.44Å; D184-R188 PolarHBondContact O-N 3.12Å; D184-R188 WeakPolarHBondContact OD1-CD 3.41Å; D184-R188 IonicContact OD1-CZ 2.64Å; D184-R188 IonicContact OD1-NE 2.73Å; Y185-R188 WeakPolarHBondContact O-CG 3.5Å; R188-L190 VanDerWaalsContact C-N 3.27Å; R188-L190 PolarHBondContact O-N 2.88Å; R188-H191 PolarHBondContact O-N 2.93Å; R188-H191 VanDerWaalsContact O-N 3.16Å; R188-D192 WeakPolarHBondContact O-CB 3.41Å; R188-D192 VanDerWaalsContact O-CG 3.32Å; R188-D192 PolarHBondContact O-N 3.12Å; R188-S199 PolarHBondContact NH1-O 2.98Å; R188-Q200 PolarHBondContact NH1-O 3.16Å; R188-A205 HydrophobicContact CB-CB 3.72Å
189S98.2Very high97Very high10 Ų1039.1 Ų39.17%0.0722%0.217CC..Hα-helixtrans-64-29.9178.7-63.90000113.3P145 Y185 F186 I187 A193P145-S189 VanDerWaalsContact CG-CB 3.42Å; Y185-S189 VanDerWaalsContact O-CB 3.27Å; Y185-S189 WeakPolarHBondContact O-CB 3.47Å; Y185-S189 PolarHBondContact O-N 3.02Å; Y185-S189 PolarHBondContact O-OG 3.41Å; F186-S189 WeakPolarHBondContact O-CB 3.01Å; F186-S189 PolarHBondContact O-N 3.01Å; I187-S189 PolarHBondContact O-N 3.46Å; S189-A193 VanDerWaalsContact O-CB 3.25Å; S189-A193 WeakPolarHBondContact O-CB 3.3Å; S189-A193 PolarHBondContact O-N 3.35Å
190L98.2Very high97.1Very high0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-69.2-46.1174.2-59.1-176.9000110.9V93 P145 T149 F168 V170 F186 I187 R188 A193 L194V93-L190 HydrophobicContact CB-CD2 4.43Å; V93-L190 HydrophobicContact CG1-CD2 4.06Å; V93-L190 HydrophobicContact CG2-CD1 4.14Å; V93-L190 HydrophobicContact CG2-CD2 4.02Å; P145-L190 HydrophobicContact CB-CD2 3.81Å; T149-L190 WeakPolarHBondContact OG1-CD2 3.48Å; F168-L190 HydrophobicContact CB-CD1 4.42Å; F168-L190 HydrophobicContact CD1-CD1 4.38Å; F168-L190 HydrophobicContact CD1-CD2 4.41Å; F168-L190 HydrophobicContact CD2-CB 4.3Å; F168-L190 HydrophobicContact CD2-CD1 4.41Å; F168-L190 HydrophobicContact CE1-CB 4.42Å; F168-L190 HydrophobicContact CE1-CD2 4.22Å; F168-L190 HydrophobicContact CE2-CB 3.94Å; F168-L190 HydrophobicContact CG-CD1 4.18Å; F168-L190 HydrophobicContact CZ-CB 4.01Å; V170-L190 HydrophobicContact CG2-CD1 4.12Å; F186-L190 HydrophobicContact CD1-CD1 4.24Å; F186-L190 HydrophobicContact CD1-CG 4.44Å; F186-L190 HydrophobicContact CE1-CD1 4.03Å; F186-L190 HydrophobicContact CE1-CD2 4.33Å; F186-L190 HydrophobicContact CE1-CG 4.37Å; F186-L190 WeakPolarHBondContact O-CG 3.49Å; F186-L190 PolarHBondContact O-N 3.27Å; I187-L190 HydrophobicContact CD1-CD1 4.38Å; I187-L190 WeakPolarHBondContact O-CB 3.42Å; I187-L190 PolarHBondContact O-N 3.43Å; R188-L190 VanDerWaalsContact C-N 3.27Å; R188-L190 PolarHBondContact O-N 2.88Å; L190-A193 PolarHBondContact O-N 3.38Å; L190-L194 PolarHBondContact O-N 2.89Å
191H98.2Very high97.1Very high0 Ų040.5 Ų40.50%022%0.218CC..Hα-helixtrans-63-45.6176.3-77.9-61.3000111.8I187 R188 A193 L194 S195 A205 S209 Y239I187-H191 PolarHBondContact O-N 3.09Å; R188-H191 PolarHBondContact O-N 2.93Å; R188-H191 VanDerWaalsContact O-N 3.16Å; H191-A193 VanDerWaalsContact C-N 3.33Å; H191-A193 PolarHBondContact O-N 3.05Å; H191-L194 PolarHBondContact O-N 2.74Å; H191-S195 PolarHBondContact O-N 3.11Å; H191-S195 PolarHBondContact O-OG 2.78Å; H191-A205 HydrophobicContact CB-CB 3.79Å; H191-S209 WeakPolarHBondContact ND1-CB 3.23Å; H191-S209 PolarHBondContact ND1-OG 3.45Å; H191-Y239 PolarHBondContact NE2-O 3.4Å
192D97.7Very high97.1Very high11 Ų1134.1 Ų34.16%0.05918%0.183CC..Hα-helixtrans-62.2-38.5177.7-76-6.2000112.2F146 R188 L194 S195 G196 H197 S199F146-D192 HydrophobicContact CD2-CB 4.42Å; F146-D192 HydrophobicContact CE2-CB 4.41Å; R188-D192 WeakPolarHBondContact O-CB 3.41Å; R188-D192 VanDerWaalsContact O-CG 3.32Å; R188-D192 PolarHBondContact O-N 3.12Å; D192-L194 PolarHBondContact O-N 3.07Å; D192-S195 WeakPolarHBondContact CA-OG 3.39Å; D192-S195 PolarHBondContact O-N 3.01Å; D192-G196 WeakPolarHBondContact O-CA 3.43Å; D192-G196 PolarHBondContact O-N 3.42Å; D192-H197 VanDerWaalsContact CB-O 3.23Å; D192-H197 WeakPolarHBondContact CB-O 3.49Å; D192-H197 VanDerWaalsContact CG-O 3.27Å; D192-S199 PolarHBondContact OD1-OG 3.02Å; D192-S199 PolarHBondContact OD2-N 3.34Å
193A96.8Very high97Very high0 Ų036.3 Ų36.30%020%0.197CC..Hα-helixtrans-63.1-2617500000113.3F146 T149 R150 S189 L190 H191F146-A193 HydrophobicContact CD2-CB 3.7Å; F146-A193 HydrophobicContact CE2-CB 4.01Å; F146-A193 HydrophobicContact CG-CB 4.19Å; T149-A193 HydrophobicContact CG2-CB 3.51Å; R150-A193 WeakPolarHBondContact CD-O 3.42Å; R150-A193 HydrophobicContact CG-CB 4.3Å; R150-A193 PolarHBondContact NH1-O 3.36Å; S189-A193 VanDerWaalsContact O-CB 3.25Å; S189-A193 WeakPolarHBondContact O-CB 3.3Å; S189-A193 PolarHBondContact O-N 3.35Å; L190-A193 PolarHBondContact O-N 3.38Å; H191-A193 VanDerWaalsContact C-N 3.33Å; H191-A193 PolarHBondContact O-N 3.05Å
194L96Very high97Very high10 Ų1038.2 Ų38.25%0.05221%0.206CC..Hα-helixtrans-89.4-39.9174.9-60-171.1000112.9T149 I153 V166 F168 L190 H191 D192 S212 T214 C216T149-L194 HydrophobicContact CG2-CD2 4.1Å; I153-L194 HydrophobicContact CD1-CD2 3.38Å; V166-L194 HydrophobicContact CB-CD1 4.06Å; V166-L194 HydrophobicContact CB-CD2 4.37Å; V166-L194 HydrophobicContact CG1-CD1 4.23Å; V166-L194 HydrophobicContact CG1-CD2 4.37Å; V166-L194 HydrophobicContact CG2-CD2 4.16Å; F168-L194 HydrophobicContact CE2-CD1 3.48Å; F168-L194 VanDerWaalsContact CE2-CD1 3.48Å; F168-L194 HydrophobicContact CE2-CG 3.98Å; F168-L194 HydrophobicContact CZ-CD1 3.79Å; F168-L194 HydrophobicContact CZ-CD2 3.95Å; F168-L194 HydrophobicContact CZ-CG 3.81Å; L190-L194 PolarHBondContact O-N 2.89Å; H191-L194 PolarHBondContact O-N 2.74Å; D192-L194 PolarHBondContact O-N 3.07Å; L194-S212 PolarHBondContact O-OG 3.03Å; L194-T214 HydrophobicContact CB-CG2 4.46Å; L194-T214 HydrophobicContact CD1-CG2 4.37Å; L194-T214 HydrophobicContact CD2-CG2 3.85Å; L194-T214 HydrophobicContact CG-CG2 4.45Å; L194-C216 HydrophobicContact CD1-CB 3.78Å
195S95Very high97Very high34 Ų3436.9 Ų36.924%0.23820%0.199CC..Hα-helixtrans-79.5-28.3-177.268.70000112.9H191 D192 H197 S212H191-S195 PolarHBondContact O-N 3.11Å; H191-S195 PolarHBondContact O-OG 2.78Å; D192-S195 WeakPolarHBondContact CA-OG 3.39Å; D192-S195 PolarHBondContact O-N 3.01Å; S195-H197 WeakPolarHBondContact OG-CB 3.29Å; S195-H197 PolarHBondContact OG-N 2.81Å; S195-H197 VanDerWaalsContact OG-N 3.07Å; S195-S212 WeakPolarHBondContact CA-OG 3.34Å
196G93.5Very high96.9Very high50 Ų5033.8 Ų33.852%0.51519%0.188SC..  trans76.24.3-168.600000113.8D192D192-G196 WeakPolarHBondContact O-CA 3.43Å; D192-G196 PolarHBondContact O-N 3.42Å
197H94.4Very high96.7Very high52 Ų5237 Ų3724%0.24121%0.211CC..  trans-83.6168.2175.4-170.353.7000111D192 S195 S199 E204 Y208D192-H197 VanDerWaalsContact CB-O 3.23Å; D192-H197 WeakPolarHBondContact CB-O 3.49Å; D192-H197 VanDerWaalsContact CG-O 3.27Å; S195-H197 WeakPolarHBondContact OG-CB 3.29Å; S195-H197 PolarHBondContact OG-N 2.81Å; S195-H197 VanDerWaalsContact OG-N 3.07Å; H197-S199 PolarHBondContact CD2-OG 2.64Å; H197-S199 VanDerWaalsContact CD2-OG 3.24Å; H197-E204 IonicContact CD2-OE1 3.78Å; H197-E204 IonicContact CE1-OE1 3.88Å; H197-E204 IonicContact NE2-OE1 2.63Å; H197-E204 PolarHBondContact NE2-OE1 3.09Å; H197-Y208 HydrophobicContact CB-CD1 4.3Å; H197-Y208 HydrophobicContact CB-CG 4.2Å; H197-Y208 AromaticContact CD2-CD1 4Å; H197-Y208 AromaticContact CD2-CD2 3.25Å; H197-Y208 WeakPolarHBondContact CD2-CD2 3.28Å; H197-Y208 AromaticContact CD2-CE2 3.5Å; H197-Y208 VanDerWaalsContact CD2-CE2 3.5Å; H197-Y208 WeakPolarHBondContact CD2-CE2 3.44Å; H197-Y208 AromaticContact CD2-CG 3.52Å; H197-Y208 AromaticContact CD2-CZ 3.97Å; H197-Y208 AromaticContact CE1-CE2 3.88Å; H197-Y208 AromaticContact CE1-CZ 3.72Å; H197-Y208 AromaticContact CG-CD1 3.92Å; H197-Y208 AromaticContact CG-CG 3.83Å; H197-Y208 AromaticContact NE2-CD2 3.54Å; H197-Y208 AromaticContact NE2-CE2 3.23Å; H197-Y208 WeakPolarHBondContact NE2-CE2 3.39Å; H197-Y208 AromaticContact NE2-CZ 3.57Å
198T95.7Very high96.6Very high121 Ų12141.9 Ų41.974%0.74223%0.23SC*.  trans-124.9107.3172.5-60.20000108.6
199S97Very high96.5Very high6 Ų639 Ų394%0.04222%0.219CC..  trans-99.4148.1-173.7-75.90000114.1R188 D192 H197 E204 A205R188-S199 PolarHBondContact NH1-O 2.98Å; D192-S199 PolarHBondContact OD1-OG 3.02Å; D192-S199 PolarHBondContact OD2-N 3.34Å; H197-S199 PolarHBondContact CD2-OG 2.64Å; H197-S199 VanDerWaalsContact CD2-OG 3.24Å; S199-E204 WeakPolarHBondContact CA-OE2 3.5Å; S199-A205 VanDerWaalsContact OG-CA 3.23Å; S199-A205 WeakPolarHBondContact OG-CA 3.49Å; S199-A205 PolarHBondContact OG-N 2.99Å
200Q96.4Very high96.3Very high159 Ų15939.6 Ų39.674%0.74322%0.221SC*.SBendtrans-79-28.2177.6-61.4-175.51600112.9R188 E204R188-Q200 PolarHBondContact NH1-O 3.16Å; Q200-E204 PolarHBondContact N-OE2 2.71Å
201N97.5Very high95.9Very high60 Ų6049.1 Ų49.132%0.32126%0.257SS..SBendtrans-151.2172.7178.858.756.3000110.9D203 E204 A205N201-D203 VanDerWaalsContact C-N 3.35Å; N201-D203 PolarHBondContact O-N 2.87Å; N201-D203 PolarHBondContact OD1-N 3.25Å; N201-D203 VanDerWaalsContact OD1-N 3.17Å; N201-E204 PolarHBondContact OD1-N 3.49Å; N201-A205 PolarHBondContact O-N 3.25Å
202V97.2Very high95.7Very high0 Ų049.6 Ų49.60%026%0.26CS..Hα-helixtrans-64-33.8-17870.20000114.1D184 I187 A205 V206 R238 Y239D184-V202 WeakPolarHBondContact OD2-CB 3.4Å; D184-V202 WeakPolarHBondContact OD2-CG1 3.45Å; D184-V202 PolarHBondContact OD2-N 2.69Å; I187-V202 HydrophobicContact CB-CG2 4.01Å; I187-V202 HydrophobicContact CG2-CG2 3.48Å; I187-V202 VanDerWaalsContact CG2-CG2 3.48Å; V202-A205 PolarHBondContact O-N 2.98Å; V202-V206 HydrophobicContact CG2-CG2 4.33Å; V202-V206 WeakPolarHBondContact O-CG2 3.45Å; V202-V206 PolarHBondContact O-N 3.06Å; V202-R238 HydrophobicContact CG1-CG 4.47Å; V202-Y239 HydrophobicContact CG1-CD1 4.25Å; V202-Y239 HydrophobicContact CG1-CE1 4.31Å; V202-Y239 HydrophobicContact CG2-CD1 3.88Å
203D96.5Very high95.3Very high76 Ų7658.5 Ų58.541%0.40630%0.298SS..Hα-helixtrans-68.2-41.4-177.3-60.2-46.9000111.3N201 V206 S207 R238N201-D203 VanDerWaalsContact C-N 3.35Å; N201-D203 PolarHBondContact O-N 2.87Å; N201-D203 PolarHBondContact OD1-N 3.25Å; N201-D203 VanDerWaalsContact OD1-N 3.17Å; D203-V206 PolarHBondContact O-N 3.32Å; D203-S207 PolarHBondContact O-N 3.22Å; D203-S207 VanDerWaalsContact O-N 3.09Å; D203-R238 VanDerWaalsContact OD1-CG 3.31Å; D203-R238 WeakPolarHBondContact OD1-CG 3.34Å; D203-R238 IonicContact OD1-CZ 2.73Å; D203-R238 IonicContact OD1-NE 3Å; D203-R238 PolarHBondContact OD1-NE 3.22Å; D203-R238 IonicContact OD1-NH2 3.86Å; D203-R238 IonicContact OD2-CZ 3.18Å; D203-R238 IonicContact OD2-NE 2.71Å; D203-R238 PolarHBondContact OD2-NE 3.22Å; D203-R238 IonicContact OD2-NH2 2.61Å; D203-R238 PolarHBondContact OD2-NH2 2.98Å
204E97.3Very high95.1Very high46 Ų4659.8 Ų59.822%0.21531%0.306CS..Hα-helixtrans-60.2-47.5172-170.4-169.1170.400110.4H197 S199 Q200 N201 V206 S207 Y208H197-E204 IonicContact CD2-OE1 3.78Å; H197-E204 IonicContact CE1-OE1 3.88Å; H197-E204 IonicContact NE2-OE1 2.63Å; H197-E204 PolarHBondContact NE2-OE1 3.09Å; S199-E204 WeakPolarHBondContact CA-OE2 3.5Å; Q200-E204 PolarHBondContact N-OE2 2.71Å; N201-E204 PolarHBondContact OD1-N 3.49Å; E204-V206 VanDerWaalsContact C-N 3.32Å; E204-V206 PolarHBondContact O-N 3.25Å; E204-S207 WeakPolarHBondContact O-CB 3.44Å; E204-S207 PolarHBondContact O-N 2.89Å; E204-S207 VanDerWaalsContact O-N 3.1Å; E204-Y208 HydrophobicContact CG-CD2 3.87Å; E204-Y208 HydrophobicContact CG-CE2 3.76Å; E204-Y208 WeakPolarHBondContact O-CD2 3.47Å; E204-Y208 PolarHBondContact O-N 3.49Å
205A97.6Very high95Very high0 Ų061.1 Ų61.10%031%0.311CS..Hα-helixtrans-61.4-40.8-178.100000112.2R188 H191 S199 N201 V202 Y208 S209R188-A205 HydrophobicContact CB-CB 3.72Å; H191-A205 HydrophobicContact CB-CB 3.79Å; S199-A205 VanDerWaalsContact OG-CA 3.23Å; S199-A205 WeakPolarHBondContact OG-CA 3.49Å; S199-A205 PolarHBondContact OG-N 2.99Å; N201-A205 PolarHBondContact O-N 3.25Å; V202-A205 PolarHBondContact O-N 2.98Å; A205-Y208 PolarHBondContact O-N 3.46Å; A205-S209 WeakPolarHBondContact O-CB 3.34Å; A205-S209 PolarHBondContact O-N 2.91Å
206V97Very high95.1Very high12 Ų1259.5 Ų59.57%0.07330%0.3CS..Hα-helixtrans-62.1-44.4174.4166.60000111V202 D203 E204 Y208 S209 E210 V541V202-V206 HydrophobicContact CG2-CG2 4.33Å; V202-V206 WeakPolarHBondContact O-CG2 3.45Å; V202-V206 PolarHBondContact O-N 3.06Å; D203-V206 PolarHBondContact O-N 3.32Å; E204-V206 VanDerWaalsContact C-N 3.32Å; E204-V206 PolarHBondContact O-N 3.25Å; V206-Y208 PolarHBondContact O-N 2.87Å; V206-S209 PolarHBondContact O-N 2.99Å; V206-E210 PolarHBondContact O-N 3.45Å; V206-E210 VanDerWaalsContact O-N 3.14Å; V206-V541 HydrophobicContact CG1-CG1 3.96Å; V206-V541 HydrophobicContact CG1-CG2 3.87Å; V206-V541 VanDerWaalsContact O-CG1 3.22Å; V206-V541 WeakPolarHBondContact O-CG1 3.34Å
207S95.2Very high95.1Very high68 Ų6858.3 Ų58.348%0.47628%0.283SS..Hα-helixtrans-59.4-46.4178-174.30000112.2D203 E204 E210D203-S207 PolarHBondContact O-N 3.22Å; D203-S207 VanDerWaalsContact O-N 3.09Å; E204-S207 WeakPolarHBondContact O-CB 3.44Å; E204-S207 PolarHBondContact O-N 2.89Å; E204-S207 VanDerWaalsContact O-N 3.1Å; S207-E210 WeakPolarHBondContact O-CB 3.03Å
208Y95.9Very high95.2Very high103 Ų10355.9 Ų55.940%0.40427%0.272SS..Hα-helixtrans-70.7-36.4175.9-80.1-83.9000112.9H197 E204 A205 V206 E210 R211 S212H197-Y208 HydrophobicContact CB-CD1 4.3Å; H197-Y208 HydrophobicContact CB-CG 4.2Å; H197-Y208 AromaticContact CD2-CD1 4Å; H197-Y208 AromaticContact CD2-CD2 3.25Å; H197-Y208 WeakPolarHBondContact CD2-CD2 3.28Å; H197-Y208 AromaticContact CD2-CE2 3.5Å; H197-Y208 VanDerWaalsContact CD2-CE2 3.5Å; H197-Y208 WeakPolarHBondContact CD2-CE2 3.44Å; H197-Y208 AromaticContact CD2-CG 3.52Å; H197-Y208 AromaticContact CD2-CZ 3.97Å; H197-Y208 AromaticContact CE1-CE2 3.88Å; H197-Y208 AromaticContact CE1-CZ 3.72Å; H197-Y208 AromaticContact CG-CD1 3.92Å; H197-Y208 AromaticContact CG-CG 3.83Å; H197-Y208 AromaticContact NE2-CD2 3.54Å; H197-Y208 AromaticContact NE2-CE2 3.23Å; H197-Y208 WeakPolarHBondContact NE2-CE2 3.39Å; H197-Y208 AromaticContact NE2-CZ 3.57Å; E204-Y208 HydrophobicContact CG-CD2 3.87Å; E204-Y208 HydrophobicContact CG-CE2 3.76Å; E204-Y208 WeakPolarHBondContact O-CD2 3.47Å; E204-Y208 PolarHBondContact O-N 3.49Å; A205-Y208 PolarHBondContact O-N 3.46Å; V206-Y208 PolarHBondContact O-N 2.87Å; Y208-E210 PolarHBondContact O-N 3.31Å; Y208-R211 PolarHBondContact O-N 3.37Å; Y208-R211 VanDerWaalsContact O-N 3.08Å; Y208-S212 PolarHBondContact O-N 3.1Å; Y208-S212 VanDerWaalsContact O-N 3.14Å
209S95.4Very high95.3Very high0 Ų050.1 Ų50.10%024%0.236CC..Hα-helixtrans-61.4-29.5178.1-178.30000112.7H191 A205 V206 R211 S212H191-S209 WeakPolarHBondContact ND1-CB 3.23Å; H191-S209 PolarHBondContact ND1-OG 3.45Å; A205-S209 WeakPolarHBondContact O-CB 3.34Å; A205-S209 PolarHBondContact O-N 2.91Å; V206-S209 PolarHBondContact O-N 2.99Å; S209-R211 VanDerWaalsContact C-N 3.26Å; S209-R211 PolarHBondContact O-N 3.04Å; S209-S212 WeakPolarHBondContact O-CB 3.3Å; S209-S212 PolarHBondContact O-N 3.39Å
210E93.4Very high95.4Very high23 Ų2349.8 Ų49.811%0.10723%0.234CC..Hα-helixtrans-62.4-37.1176.4-167.1-177.5115.400111.8V206 S207 Y208 K215 V541 R544 R548V206-E210 PolarHBondContact O-N 3.45Å; V206-E210 VanDerWaalsContact O-N 3.14Å; S207-E210 WeakPolarHBondContact O-CB 3.03Å; Y208-E210 PolarHBondContact O-N 3.31Å; E210-K215 PolarHBondContact O-NZ 2.88Å; E210-V541 HydrophobicContact CB-CG1 3.89Å; E210-V541 WeakPolarHBondContact CG-O 3.22Å; E210-R544 HydrophobicContact CG-CB 4.33Å; E210-R544 WeakPolarHBondContact OE2-CD 3.48Å; E210-R544 IonicContact OE2-NH1 2.73Å; E210-R544 PolarHBondContact OE2-NH1 2.96Å; E210-R548 IonicContact OE1-CZ 3.64Å; E210-R548 IonicContact OE1-NH1 3.69Å; E210-R548 PolarHBondContact OE1-NH1 2.81Å; E210-R548 IonicContact OE1-NH2 3.64Å; E210-R548 PolarHBondContact OE1-NH2 3.05Å; E210-R548 IonicContact OE2-CZ 2.57Å; E210-R548 IonicContact OE2-NH1 3.74Å; E210-R548 IonicContact OE2-NH2 2.58Å; E210-R548 PolarHBondContact OE2-NH2 3.24Å; E210-R548 VanDerWaalsContact OE2-NH2 3.1Å
211R91Very high95.5Very high201 Ų20142.2 Ų42.276%0.75820%0.199SC*.Hα-helixtrans-88.2-8.2179.6-60.9-177.4-177.8177.30.9113.5Y208 S209Y208-R211 PolarHBondContact O-N 3.37Å; Y208-R211 VanDerWaalsContact O-N 3.08Å; S209-R211 VanDerWaalsContact C-N 3.26Å; S209-R211 PolarHBondContact O-N 3.04Å
212S92.5Very high95.4Very high9 Ų940 Ų406%0.06319%0.186CC..  trans-56.8147179.4-179.10000112.6L194 S195 Y208 S209 T214 K215L194-S212 PolarHBondContact O-OG 3.03Å; S195-S212 WeakPolarHBondContact CA-OG 3.34Å; Y208-S212 PolarHBondContact O-N 3.1Å; Y208-S212 VanDerWaalsContact O-N 3.14Å; S209-S212 WeakPolarHBondContact O-CB 3.3Å; S209-S212 PolarHBondContact O-N 3.39Å; S212-T214 WeakPolarHBondContact CB-O 3.27Å; S212-T214 PolarHBondContact OG-N 3.48Å; S212-T214 PolarHBondContact OG-O 3.31Å; S212-K215 WeakPolarHBondContact O-CD 3.32Å; S212-K215 VanDerWaalsContact O-CE 3.25Å; S212-K215 WeakPolarHBondContact O-CE 3.36Å; S212-K215 PolarHBondContact O-NZ 2.83Å
213K89.8Confident95.2Very high198 Ų19840.2 Ų40.286%0.86119%0.188SC*.SBendtrans-64.9-43170.3-68.9-178.4179.6177.70110.9
214T92.7Very high95.1Very high28 Ų2836.8 Ų36.817%0.17217%0.169CC..SBendtrans-85.2113.9173-62.50000109.6C163 V166 L194 S212 C216C163-T214 WeakPolarHBondContact O-CG2 3.39Å; V166-T214 HydrophobicContact CB-CG2 4.42Å; V166-T214 HydrophobicContact CG2-CG2 3.67Å; L194-T214 HydrophobicContact CB-CG2 4.46Å; L194-T214 HydrophobicContact CD1-CG2 4.37Å; L194-T214 HydrophobicContact CD2-CG2 3.85Å; L194-T214 HydrophobicContact CG-CG2 4.45Å; S212-T214 WeakPolarHBondContact CB-O 3.27Å; S212-T214 PolarHBondContact OG-N 3.48Å; S212-T214 PolarHBondContact OG-O 3.31Å; T214-C216 PolarHBondContact O-N 2.95Å
215K93.7Very high95Very high37 Ų3734.7 Ų34.716%0.16116%0.16CC..EExtended strand (participates in β ladder)trans-81.4120.1-174.7-59.6-48-168.7-178.40110.9D164 K165 V166 E210 S212 V217 G542D164-K215 PolarHBondContact O-N 2.94Å; K165-K215 WeakPolarHBondContact CA-O 3.49Å; V166-K215 PolarHBondContact N-O 3.17Å; E210-K215 PolarHBondContact O-NZ 2.88Å; S212-K215 WeakPolarHBondContact O-CD 3.32Å; S212-K215 VanDerWaalsContact O-CE 3.25Å; S212-K215 WeakPolarHBondContact O-CE 3.36Å; S212-K215 PolarHBondContact O-NZ 2.83Å; K215-V217 HydrophobicContact CB-CG1 4.03Å; K215-V217 PolarHBondContact O-N 3.33Å; K215-V217 VanDerWaalsContact O-N 3.14Å; K215-G542 WeakPolarHBondContact CD-O 3.5Å
216C96.2Very high94.7Very high0 Ų037 Ų370%017%0.172CC..EExtended strand (participates in β ladder)trans-7297.3163.1-171.10000108.8V166 L194 T214 G540 V541 G542V166-C216 CarbonylContact O-C 3.52Å; L194-C216 HydrophobicContact CD1-CB 3.78Å; T214-C216 PolarHBondContact O-N 2.95Å; C216-G540 CarbonylContact O-C 3.58Å; C216-V541 PolarHBondContact O-N 2.98Å; C216-G542 WeakPolarHBondContact O-CA 3.21Å; C216-G542 PolarHBondContact O-N 2.64Å
217V94.7Very high94.6Very high26 Ų2639 Ų3916%0.15818%0.178CC..EExtended strand (participates in β ladder)trans-88.7-13.3-174.9-610000113.3I88 K165 V166 E167 K215 G540 T543I88-V217 HydrophobicContact CB-CG2 4.48Å; I88-V217 HydrophobicContact CG2-CG2 3.93Å; K165-V217 HydrophobicContact CB-CG1 3.79Å; K165-V217 HydrophobicContact CB-CG2 4.31Å; K165-V217 HydrophobicContact CD-CG1 4.4Å; K165-V217 HydrophobicContact CG-CG1 3.92Å; V166-V217 WeakPolarHBondContact O-CG2 3.47Å; V166-V217 PolarHBondContact O-N 3.27Å; E167-V217 HydrophobicContact CB-CG2 4.18Å; K215-V217 HydrophobicContact CB-CG1 4.03Å; K215-V217 PolarHBondContact O-N 3.33Å; K215-V217 VanDerWaalsContact O-N 3.14Å; V217-G540 WeakPolarHBondContact O-CA 3.3Å; V217-T543 HydrophobicContact CB-CG2 4.06Å; V217-T543 HydrophobicContact CG1-CG2 3.74Å
218G96.2Very high94.6Very high0 Ų035.8 Ų35.80%016%0.156CC..EExtended strand (participates in β ladder)trans-174.6152.1174.600000111.6E167 F168 T242E167-G218 CarbonylContact C-O 3.36Å; E167-G218 WeakPolarHBondContact CA-O 3.48Å; F168-G218 PolarHBondContact N-O 2.94Å; G218-T242 WeakPolarHBondContact CA-OG1 3.5Å
219I98.3Very high94.6Very high0 Ų035.4 Ų35.40%016%0.161CC..EExtended strand (participates in β ladder)trans-123.8129.9166.4-63.1168.5000106.1F168 V170 I221 Y239 C241 T242 R243F168-I219 HydrophobicContact CB-CG1 4.18Å; F168-I219 HydrophobicContact CB-CG2 4.48Å; F168-I219 HydrophobicContact CD2-CG1 4.07Å; V170-I219 HydrophobicContact CG2-CG2 4.11Å; I219-I221 HydrophobicContact CG2-CG1 4.09Å; I219-Y239 VanDerWaalsContact CD1-O 3.31Å; I219-Y239 WeakPolarHBondContact CD1-O 3.03Å; I219-C241 WeakPolarHBondContact O-CA 3.34Å; I219-C241 PolarHBondContact O-SG 2.66Å; I219-T242 PolarHBondContact O-N 3Å; I219-R243 PolarHBondContact O-N 3.37Å
220T98.3Very high94.7Very high0 Ų040.7 Ų40.70%018%0.184CC..EExtended strand (participates in β ladder)trans-108.6126.6173.8-54.90000108.9F168 I169 V170 R243 E245F168-T220 WeakPolarHBondContact O-CB 3.41Å; F168-T220 PolarHBondContact O-N 3.1Å; I169-T220 WeakPolarHBondContact CA-O 3.3Å; I169-T220 HydrophobicContact CG2-CG2 4.42Å; V170-T220 PolarHBondContact N-O 2.92Å; T220-R243 VanDerWaalsContact CA-O 3.23Å; T220-R243 WeakPolarHBondContact CA-O 3.3Å; T220-R243 HydrophobicContact CG2-CB 4.11Å; T220-R243 HydrophobicContact CG2-CG 3.92Å; T220-R243 WeakPolarHBondContact OG1-CD 3.43Å; T220-E245 HydrophobicContact CG2-CB 4.26Å; T220-E245 HydrophobicContact CG2-CG 3.58Å
221I98.2Very high94.8Very high0 Ų045.7 Ų45.70%021%0.205CC..EExtended strand (participates in β ladder)trans-112.4122.6178-65174.7000109.8V170 F175 I219 M236 Y239 C241 R243 E245V170-I221 HydrophobicContact CB-CG1 4.29Å; V170-I221 HydrophobicContact CG2-CG1 4.31Å; F175-I221 HydrophobicContact CB-CG2 3.94Å; F175-I221 HydrophobicContact CD1-CD1 4.24Å; F175-I221 HydrophobicContact CD1-CG2 3.9Å; F175-I221 HydrophobicContact CE1-CD1 4.36Å; F175-I221 HydrophobicContact CG-CG2 4.3Å; I219-I221 HydrophobicContact CG2-CG1 4.09Å; I221-M236 HydrophobicContact CD1-CG 4.01Å; I221-M236 HydrophobicContact CG2-CE 4.46Å; I221-Y239 HydrophobicContact CD1-CD2 4.15Å; I221-C241 HydrophobicContact CD1-CB 4.13Å; I221-R243 PolarHBondContact N-O 3.47Å; I221-E245 PolarHBondContact O-N 2.92Å
222E95.5Very high95.1Very high12 Ų1236.6 Ų36.66%0.05617%0.171CC..EExtended strand (participates in β ladder)trans-73.8129.5167.6-171.7-176.6-179.400110Y128 V170 G172 E245 H285Y128-E222 PolarHBondContact OH-OE2 2.94Å; V170-E222 WeakPolarHBondContact O-CB 3.38Å; V170-E222 PolarHBondContact O-N 2.87Å; G172-E222 PolarHBondContact N-OE2 2.91Å; E222-E245 WeakPolarHBondContact CA-O 3.48Å; E222-E245 HydrophobicContact CB-CB 4.41Å; E222-H285 IonicContact OE1-CE1 3.49Å
223T94.7Very high95.4Very high5 Ų536.2 Ų36.23%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-155.7177.7-178.8-165.90000111.9Y227 C228 M236 E245 I246T223-Y227 WeakPolarHBondContact OG1-CB 3.25Å; T223-C228 WeakPolarHBondContact CG2-SG 3.48Å; T223-M236 HydrophobicContact CG2-CE 4.08Å; T223-E245 PolarHBondContact N-O 2.92Å; T223-I246 HydrophobicContact CG2-CG1 4.39Å
224R94.1Very high95.8Very high4 Ų428.3 Ų28.32%0.01514%0.138CC..  trans-101.4155.2172-65.4166.855.4108.61.3110.9H102 T174 D226 Y227 C228 R261 G262H102-R224 VanDerWaalsContact CG-NH1 3.25Å; H102-R224 PolarHBondContact ND1-NH1 2.9Å; T174-R224 HydrophobicContact CG2-CB 4.29Å; T174-R224 HydrophobicContact CG2-CG 4.15Å; T174-R224 WeakPolarHBondContact OG1-CD 3.43Å; T174-R224 VanDerWaalsContact OG1-CG 3.27Å; T174-R224 WeakPolarHBondContact OG1-CG 3.45Å; R224-D226 VanDerWaalsContact C-N 3.3Å; R224-D226 WeakPolarHBondContact CB-OD1 2.98Å; R224-D226 IonicContact CZ-OD1 3.72Å; R224-D226 IonicContact CZ-OD2 2.88Å; R224-D226 IonicContact NE-OD1 2.77Å; R224-D226 PolarHBondContact NE-OD1 2.78Å; R224-D226 IonicContact NE-OD2 3.44Å; R224-D226 PolarHBondContact NE-OD2 2.97Å; R224-D226 IonicContact NH2-OD1 3.73Å; R224-D226 IonicContact NH2-OD2 3.46Å; R224-D226 PolarHBondContact NH2-OD2 3.13Å; R224-D226 PolarHBondContact O-N 2.81Å; R224-Y227 CarbonylContact O-C 3.48Å; R224-Y227 WeakPolarHBondContact O-CA 3.47Å; R224-Y227 PolarHBondContact O-N 3.43Å; R224-C228 PolarHBondContact O-SG 3.3Å; R224-R261 PolarHBondContact NH1-O 3.02Å; R224-R261 VanDerWaalsContact NH1-O 3.09Å; R224-R261 PolarHBondContact NH2-O 3.06Å; R224-G262 VanDerWaalsContact NH2-C 3.34Å; R224-G262 PolarHBondContact NH2-O 2.79Å
225P94.7Very high96Very high3 Ų328.4 Ų28.42%0.01914%0.137CC..G310 helixtrans-55-40177.4-25.633.2000114.8Y227 C228 I246 H263 A267 V268P225-Y227 PolarHBondContact O-N 2.84Å; P225-C228 WeakPolarHBondContact O-CB 3.23Å; P225-C228 PolarHBondContact O-N 2.7Å; P225-I246 HydrophobicContact CB-CG2 4.43Å; P225-I246 HydrophobicContact CG-CG2 3.63Å; P225-H263 WeakPolarHBondContact CD-NE2 3.42Å; P225-A267 HydrophobicContact CB-CB 4.46Å; P225-V268 HydrophobicContact CB-CG2 4.27Å; P225-V268 HydrophobicContact CG-CB 4.35Å; P225-V268 HydrophobicContact CG-CG2 3.57Å
226D92.2Very high96.2Very high49 Ų4926.7 Ų26.726%0.26213%0.129SC..G310 helixtrans-66.4-13.117751.2-6.1000113.3R224R224-D226 VanDerWaalsContact C-N 3.3Å; R224-D226 WeakPolarHBondContact CB-OD1 2.98Å; R224-D226 IonicContact CZ-OD1 3.72Å; R224-D226 IonicContact CZ-OD2 2.88Å; R224-D226 IonicContact NE-OD1 2.77Å; R224-D226 PolarHBondContact NE-OD1 2.78Å; R224-D226 IonicContact NE-OD2 3.44Å; R224-D226 PolarHBondContact NE-OD2 2.97Å; R224-D226 IonicContact NH2-OD1 3.73Å; R224-D226 IonicContact NH2-OD2 3.46Å; R224-D226 PolarHBondContact NH2-OD2 3.13Å; R224-D226 PolarHBondContact O-N 2.81Å
227Y94.2Very high96.3Very high52 Ų5227 Ų2720%0.20413%0.131CC..G310 helixtrans-106.820.6171-77.7-94.3000113.3P101 T174 M176 C177 T223 R224 P225 H232P101-Y227 HydrophobicContact CB-CE2 3.72Å; P101-Y227 VanDerWaalsContact CB-OH 3.23Å; P101-Y227 WeakPolarHBondContact CB-OH 3.49Å; P101-Y227 HydrophobicContact CG-CD2 4.27Å; P101-Y227 HydrophobicContact CG-CE2 3.42Å; P101-Y227 VanDerWaalsContact CG-CE2 3.42Å; T174-Y227 HydrophobicContact CG2-CD1 4.25Å; T174-Y227 HydrophobicContact CG2-CD2 3.55Å; T174-Y227 HydrophobicContact CG2-CE2 4.08Å; T174-Y227 HydrophobicContact CG2-CG 3.64Å; M176-Y227 HydrophobicContact CB-CD1 3.82Å; M176-Y227 HydrophobicContact CB-CG 4.3Å; C177-Y227 HydrophobicContact CB-CE1 3.9Å; T223-Y227 WeakPolarHBondContact OG1-CB 3.25Å; R224-Y227 CarbonylContact O-C 3.48Å; R224-Y227 WeakPolarHBondContact O-CA 3.47Å; R224-Y227 PolarHBondContact O-N 3.43Å; P225-Y227 PolarHBondContact O-N 2.84Å; Y227-H232 VanDerWaalsContact C-ND1 3.33Å; Y227-H232 AromaticContact CD1-CE1 3.94Å; Y227-H232 AromaticContact CD1-NE2 3.76Å; Y227-H232 WeakPolarHBondContact O-CB 3.44Å; Y227-H232 VanDerWaalsContact O-CG 3.3Å; Y227-H232 PolarHBondContact O-ND1 3.2Å
228C96Very high96.4Very high1 Ų131 Ų311%0.00714%0.143CC..  trans-111.524.9172.6-66.60000112.4T223 R224 P225 L233T223-C228 WeakPolarHBondContact CG2-SG 3.48Å; R224-C228 PolarHBondContact O-SG 3.3Å; P225-C228 WeakPolarHBondContact O-CB 3.23Å; P225-C228 PolarHBondContact O-N 2.7Å; C228-L233 HydrophobicContact CB-CD2 4.28Å; C228-L233 VanDerWaalsContact O-CD1 3.25Å; C228-L233 WeakPolarHBondContact O-CD1 3.32Å; C228-L233 WeakPolarHBondContact O-CG 3.3Å
229L95.6Very high96.5Very high95 Ų9531.2 Ų31.250%0.49714%0.144SC..SBendtrans-66.7163172.3-50.6178000112K231 H232 L233L229-K231 PolarHBondContact O-N 3.4Å; L229-H232 PolarHBondContact N-ND1 3Å; L229-H232 WeakPolarHBondContact O-CB 3.27Å; L229-H232 PolarHBondContact O-N 2.68Å; L229-L233 PolarHBondContact O-N 3.48Å
230K96.6Very high96.4Very high112 Ų11231.4 Ų31.449%0.48715%0.146SC..Hα-helixtrans-47.1-41.7-178.2-64.4-177.6179.1-179.20113.9S234 L274 F462K230-S234 WeakPolarHBondContact O-CB 3.23Å; K230-S234 PolarHBondContact O-N 3.3Å; K230-S234 VanDerWaalsContact O-N 3.1Å; K230-S234 PolarHBondContact O-OG 2.62Å; K230-L274 HydrophobicContact CG-CD1 4.45Å; K230-L274 HydrophobicContact CG-CD2 4.37Å; K230-F462 HydrophobicContact CB-CD2 3.9Å; K230-F462 HydrophobicContact CB-CE2 3.77Å; K230-F462 HydrophobicContact CB-CG 4.41Å; K230-F462 HydrophobicContact CB-CZ 4.18Å; K230-F462 HydrophobicContact CD-CB 3.89Å; K230-F462 HydrophobicContact CD-CD1 4.38Å; K230-F462 HydrophobicContact CD-CD2 3.96Å; K230-F462 HydrophobicContact CD-CG 3.81Å; K230-F462 HydrophobicContact CG-CB 4.44Å; K230-F462 HydrophobicContact CG-CD1 4.01Å; K230-F462 HydrophobicContact CG-CD2 3.83Å; K230-F462 HydrophobicContact CG-CE1 4.22Å; K230-F462 HydrophobicContact CG-CE2 4.03Å; K230-F462 HydrophobicContact CG-CG 3.82Å; K230-F462 HydrophobicContact CG-CZ 4.23Å
231K96.4Very high96.4Very high127 Ų12731.5 Ų31.555%0.55215%0.146SC*.Hα-helixtrans-62.9-47.6177.295.3174.2-173.3170.90111.9L229 S234 E235L229-K231 PolarHBondContact O-N 3.4Å; K231-S234 WeakPolarHBondContact O-CB 3.19Å; K231-S234 PolarHBondContact O-N 3.13Å; K231-E235 WeakPolarHBondContact O-CG 3.48Å; K231-E235 PolarHBondContact O-N 2.97Å
232H97.4Very high96.4Very high11 Ų1132.2 Ų32.25%0.05115%0.151CC..Hα-helixtrans-67.4-44.4-175.9-52.6125.6000110.9M176 Y227 L229 S234 E235 M236M176-H232 HydrophobicContact CE-CB 3.9Å; M176-H232 WeakPolarHBondContact CE-O 3.33Å; Y227-H232 VanDerWaalsContact C-ND1 3.33Å; Y227-H232 AromaticContact CD1-CE1 3.94Å; Y227-H232 AromaticContact CD1-NE2 3.76Å; Y227-H232 WeakPolarHBondContact O-CB 3.44Å; Y227-H232 VanDerWaalsContact O-CG 3.3Å; Y227-H232 PolarHBondContact O-ND1 3.2Å; L229-H232 PolarHBondContact N-ND1 3Å; L229-H232 WeakPolarHBondContact O-CB 3.27Å; L229-H232 PolarHBondContact O-N 2.68Å; H232-S234 VanDerWaalsContact C-N 3.26Å; H232-S234 PolarHBondContact O-N 3.25Å; H232-E235 PolarHBondContact O-N 3.25Å; H232-M236 HydrophobicContact CB-CE 4.5Å; H232-M236 VanDerWaalsContact O-CG 3.3Å; H232-M236 WeakPolarHBondContact O-CG 3.37Å; H232-M236 PolarHBondContact O-N 2.86Å
233L98.2Very high96.5Very high0 Ų032.3 Ų32.30%015%0.151CC..Hα-helixtrans-59.6-39.8176-65.5178.9000111.5C228 L229 M236 L237 L244 L274 F280 F462C228-L233 HydrophobicContact CB-CD2 4.28Å; C228-L233 VanDerWaalsContact O-CD1 3.25Å; C228-L233 WeakPolarHBondContact O-CD1 3.32Å; C228-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.48Å; L233-M236 HydrophobicContact CD2-SD 4.43Å; L233-M236 PolarHBondContact O-N 3.33Å; L233-L237 WeakPolarHBondContact O-CG 3.46Å; L233-L237 PolarHBondContact O-N 2.81Å; L233-L244 HydrophobicContact CD2-CD1 3.51Å; L233-L274 HydrophobicContact CD1-CB 3.59Å; L233-F280 HydrophobicContact CB-CE2 4.07Å; L233-F280 HydrophobicContact CD2-CD2 4.06Å; L233-F280 HydrophobicContact CD2-CE2 3.87Å; L233-F462 HydrophobicContact CB-CZ 4.07Å; L233-F462 HydrophobicContact CD1-CE1 4.14Å; L233-F462 HydrophobicContact CD1-CZ 4.17Å
234S97.7Very high96.7Very high33 Ų3332.1 Ų32.123%0.23115%0.149CC..Hα-helixtrans-63.9-42.2176.8-59.50000112.6K230 K231 H232 L237 R238 R463K230-S234 WeakPolarHBondContact O-CB 3.23Å; K230-S234 PolarHBondContact O-N 3.3Å; K230-S234 VanDerWaalsContact O-N 3.1Å; K230-S234 PolarHBondContact O-OG 2.62Å; K231-S234 WeakPolarHBondContact O-CB 3.19Å; K231-S234 PolarHBondContact O-N 3.13Å; H232-S234 VanDerWaalsContact C-N 3.26Å; H232-S234 PolarHBondContact O-N 3.25Å; S234-L237 PolarHBondContact O-N 3.39Å; S234-R238 PolarHBondContact O-N 2.99Å; S234-R238 VanDerWaalsContact O-N 3.16Å; S234-R463 PolarHBondContact OG-NH1 2.76Å
235E97.3Very high96.8Very high30 Ų3031.9 Ų31.914%0.1415%0.149CC..Hα-helixtrans-64.5-43.7174.2-69.7166.9-166.800111.8M176 R183 K231 H232 L237 R238 Y239M176-E235 HydrophobicContact CE-CB 3.99Å; M176-E235 VanDerWaalsContact CE-OE2 3.27Å; M176-E235 WeakPolarHBondContact CE-OE2 3.41Å; R183-E235 IonicContact CZ-OE2 2.8Å; R183-E235 IonicContact NH1-OE2 3.01Å; R183-E235 PolarHBondContact NH1-OE2 3.15Å; R183-E235 IonicContact NH2-OE1 3.66Å; R183-E235 IonicContact NH2-OE2 3.98Å; R183-E235 PolarHBondContact NH2-OE2 3.27Å; K231-E235 WeakPolarHBondContact O-CG 3.48Å; K231-E235 PolarHBondContact O-N 2.97Å; H232-E235 PolarHBondContact O-N 3.25Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.44Å; E235-R238 WeakPolarHBondContact O-CB 3.13Å; E235-R238 PolarHBondContact O-N 2.92Å; E235-R238 VanDerWaalsContact O-N 3.12Å; E235-Y239 HydrophobicContact CB-CE2 4.24Å; E235-Y239 WeakPolarHBondContact O-CD1 3.25Å; E235-Y239 WeakPolarHBondContact O-CD2 3.43Å; E235-Y239 PolarHBondContact O-N 2.9Å
236M98.2Very high97Very high0 Ų031.8 Ų31.80%015%0.148CC..Hα-helixtrans-60.8-40.3177-68.5177.1-166.200112M176 I221 T223 H232 L233 R238 Y239 G240 C241 L244 F280M176-M236 HydrophobicContact CB-CE 4.5Å; M176-M236 HydrophobicContact CE-CE 3.98Å; M176-M236 HydrophobicContact CE-CG 3.79Å; M176-M236 HydrophobicContact CG-CE 3.19Å; M176-M236 HydrophobicContact SD-CE 3.71Å; M176-M236 HydrophobicContact SD-CG 3.87Å; I221-M236 HydrophobicContact CD1-CG 4.01Å; I221-M236 HydrophobicContact CG2-CE 4.46Å; T223-M236 HydrophobicContact CG2-CE 4.08Å; H232-M236 HydrophobicContact CB-CE 4.5Å; H232-M236 VanDerWaalsContact O-CG 3.3Å; H232-M236 WeakPolarHBondContact O-CG 3.37Å; H232-M236 PolarHBondContact O-N 2.86Å; L233-M236 HydrophobicContact CD2-SD 4.43Å; L233-M236 PolarHBondContact O-N 3.33Å; M236-R238 VanDerWaalsContact C-N 3.32Å; M236-R238 PolarHBondContact O-N 3.35Å; M236-Y239 WeakPolarHBondContact O-CB 3.42Å; M236-Y239 PolarHBondContact O-N 3.06Å; M236-Y239 VanDerWaalsContact O-N 3.16Å; M236-G240 PolarHBondContact O-N 2.69Å; M236-C241 HydrophobicContact CB-CB 3.85Å; M236-C241 WeakPolarHBondContact O-CB 3.31Å; M236-C241 PolarHBondContact O-N 3.1Å; M236-L244 HydrophobicContact CE-CD2 4.33Å; M236-L244 HydrophobicContact SD-CD1 4.3Å; M236-L244 HydrophobicContact SD-CD2 3.21Å; M236-L244 WeakPolarHBondContact SD-CD2 3.35Å; M236-L244 HydrophobicContact SD-CG 4.39Å; M236-F280 HydrophobicContact CB-CE1 4.2Å; M236-F280 HydrophobicContact CB-CZ 3.74Å
237L98Very high97.1Very high6 Ų629.6 Ų29.63%0.03114%0.137CC..Hα-helixtrans-60.5-42.9174.2-72.5167.1000111.4L233 S234 E235 Y239 G240 A278 F280 R463 I538 P557 Y558L233-L237 WeakPolarHBondContact O-CG 3.46Å; L233-L237 PolarHBondContact O-N 2.81Å; S234-L237 PolarHBondContact O-N 3.39Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.44Å; L237-Y239 PolarHBondContact O-N 3.26Å; L237-G240 PolarHBondContact O-N 2.8Å; L237-A278 HydrophobicContact CD1-CB 4.43Å; L237-F280 HydrophobicContact CB-CZ 4.43Å; L237-F280 HydrophobicContact CD1-CE2 4.41Å; L237-F280 HydrophobicContact CD2-CE1 4.06Å; L237-F280 HydrophobicContact CD2-CE2 3.9Å; L237-F280 HydrophobicContact CD2-CZ 3.57Å; L237-F280 HydrophobicContact CG-CE1 4.43Å; L237-F280 HydrophobicContact CG-CE2 3.8Å; L237-F280 HydrophobicContact CG-CZ 3.52Å; L237-R463 HydrophobicContact CD1-CG 4.35Å; L237-I538 HydrophobicContact CD2-CD1 3.69Å; L237-I538 HydrophobicContact CD2-CG1 4.4Å; L237-P557 HydrophobicContact CB-CB 3.86Å; L237-P557 HydrophobicContact CB-CG 3.84Å; L237-P557 HydrophobicContact CD1-CG 4.16Å; L237-P557 HydrophobicContact CD2-CG 4.44Å; L237-P557 HydrophobicContact CG-CG 4.36Å; L237-Y558 HydrophobicContact CD1-CE2 4.46Å; L237-Y558 WeakPolarHBondContact CD1-OH 3.33Å; L237-Y558 HydrophobicContact CD2-CE1 4.05Å
238R96.7Very high97.1Very high110 Ų11027.4 Ų27.442%0.41513%0.129SC..Hα-helixtrans-59.2-36.2174.9-179.5-177.3171.7-149.7-2.2111.8V202 D203 S234 E235 M236 G240V202-R238 HydrophobicContact CG1-CG 4.47Å; D203-R238 VanDerWaalsContact OD1-CG 3.31Å; D203-R238 WeakPolarHBondContact OD1-CG 3.34Å; D203-R238 IonicContact OD1-CZ 2.73Å; D203-R238 IonicContact OD1-NE 3Å; D203-R238 PolarHBondContact OD1-NE 3.22Å; D203-R238 IonicContact OD1-NH2 3.86Å; D203-R238 IonicContact OD2-CZ 3.18Å; D203-R238 IonicContact OD2-NE 2.71Å; D203-R238 PolarHBondContact OD2-NE 3.22Å; D203-R238 IonicContact OD2-NH2 2.61Å; D203-R238 PolarHBondContact OD2-NH2 2.98Å; S234-R238 PolarHBondContact O-N 2.99Å; S234-R238 VanDerWaalsContact O-N 3.16Å; E235-R238 WeakPolarHBondContact O-CB 3.13Å; E235-R238 PolarHBondContact O-N 2.92Å; E235-R238 VanDerWaalsContact O-N 3.12Å; M236-R238 VanDerWaalsContact C-N 3.32Å; M236-R238 PolarHBondContact O-N 3.35Å; R238-G240 PolarHBondContact O-N 3.1Å
239Y97.6Very high97.1Very high5 Ų527.8 Ų27.82%0.0213%0.131CC..THydrogen-bonded Turntrans-69.7-6.2175.3-58.6-21.7000114.4F175 M176 I187 H191 V202 I219 I221 E235 M236 L237 C241F175-Y239 HydrophobicContact CE1-CE2 4.38Å; M176-Y239 HydrophobicContact CE-CE2 4.36Å; M176-Y239 HydrophobicContact SD-CE2 4.31Å; I187-Y239 HydrophobicContact CB-CD1 4.42Å; I187-Y239 HydrophobicContact CB-CG 4.36Å; I187-Y239 HydrophobicContact CD1-CD2 4.42Å; I187-Y239 HydrophobicContact CD1-CG 4.49Å; I187-Y239 HydrophobicContact CG1-CD1 4.23Å; I187-Y239 HydrophobicContact CG1-CD2 3.93Å; I187-Y239 HydrophobicContact CG1-CE2 4.45Å; I187-Y239 HydrophobicContact CG1-CG 3.83Å; I187-Y239 HydrophobicContact CG2-CD1 4.25Å; I187-Y239 HydrophobicContact CG2-CG 4.1Å; H191-Y239 PolarHBondContact NE2-O 3.4Å; V202-Y239 HydrophobicContact CG1-CD1 4.25Å; V202-Y239 HydrophobicContact CG1-CE1 4.31Å; V202-Y239 HydrophobicContact CG2-CD1 3.88Å; I219-Y239 VanDerWaalsContact CD1-O 3.31Å; I219-Y239 WeakPolarHBondContact CD1-O 3.03Å; I221-Y239 HydrophobicContact CD1-CD2 4.15Å; E235-Y239 HydrophobicContact CB-CE2 4.24Å; E235-Y239 WeakPolarHBondContact O-CD1 3.25Å; E235-Y239 WeakPolarHBondContact O-CD2 3.43Å; E235-Y239 PolarHBondContact O-N 2.9Å; M236-Y239 WeakPolarHBondContact O-CB 3.42Å; M236-Y239 PolarHBondContact O-N 3.06Å; M236-Y239 VanDerWaalsContact O-N 3.16Å; L237-Y239 PolarHBondContact O-N 3.26Å; Y239-C241 VanDerWaalsContact C-N 3.3Å
240G96.7Very high97.2Very high4 Ų423.5 Ų23.54%0.04111%0.108CC..THydrogen-bonded Turntrans75.519.4-171.300000113.6M236 L237 R238M236-G240 PolarHBondContact O-N 2.69Å; L237-G240 PolarHBondContact O-N 2.8Å; R238-G240 PolarHBondContact O-N 3.1Å
241C98.1Very high97.3Very high2 Ų218.9 Ų18.91%0.0149%0.09CC..  trans-65.3136.2171.7-171.10000110.3I219 I221 M236 Y239 R243 F280I219-C241 WeakPolarHBondContact O-CA 3.34Å; I219-C241 PolarHBondContact O-SG 2.66Å; I221-C241 HydrophobicContact CD1-CB 4.13Å; M236-C241 HydrophobicContact CB-CB 3.85Å; M236-C241 WeakPolarHBondContact O-CB 3.31Å; M236-C241 PolarHBondContact O-N 3.1Å; Y239-C241 VanDerWaalsContact C-N 3.3Å; C241-R243 PolarHBondContact SG-O 3.14Å; C241-F280 HydrophobicContact CB-CE1 3.86Å; C241-F280 VanDerWaalsContact O-CE1 3.32Å; C241-F280 WeakPolarHBondContact O-CE1 3.15Å
242T98Very high97.3Very high16 Ų1615.3 Ų15.310%0.0987%0.073CC..  trans-123.2-12.2178.459.20000112.6G218 I219 K281 I538G218-T242 WeakPolarHBondContact CA-OG1 3.5Å; I219-T242 PolarHBondContact O-N 3Å; T242-K281 PolarHBondContact O-N 2.81Å; T242-K281 VanDerWaalsContact O-N 3.1Å; T242-I538 HydrophobicContact CG2-CG1 4.14Å
243R98.4Very high97.3Very high14 Ų1418.5 Ų18.55%0.0539%0.088CC..EExtended strand (participates in β ladder)trans-141.9139.4-176.1-173.2-173.2-51.4171.1-2.8111.2E167 I219 T220 I221 C241 K281 V283 Y364E167-R243 IonicContact OE1-CZ 2.61Å; E167-R243 IonicContact OE1-NE 3.51Å; E167-R243 IonicContact OE1-NH1 3.19Å; E167-R243 PolarHBondContact OE1-NH1 2.97Å; E167-R243 IonicContact OE1-NH2 3.79Å; E167-R243 PolarHBondContact OE1-NH2 3.41Å; E167-R243 IonicContact OE2-CZ 3.13Å; E167-R243 IonicContact OE2-NH1 2.67Å; E167-R243 PolarHBondContact OE2-NH1 3.33Å; E167-R243 VanDerWaalsContact OE2-NH1 3.13Å; E167-R243 IonicContact OE2-NH2 3.04Å; E167-R243 PolarHBondContact OE2-NH2 3.07Å; I219-R243 PolarHBondContact O-N 3.37Å; T220-R243 VanDerWaalsContact CA-O 3.23Å; T220-R243 WeakPolarHBondContact CA-O 3.3Å; T220-R243 HydrophobicContact CG2-CB 4.11Å; T220-R243 HydrophobicContact CG2-CG 3.92Å; T220-R243 WeakPolarHBondContact OG1-CD 3.43Å; I221-R243 PolarHBondContact N-O 3.47Å; C241-R243 PolarHBondContact SG-O 3.14Å; R243-K281 CarbonylContact C-O 3.54Å; R243-K281 VanDerWaalsContact CA-O 3.26Å; R243-K281 WeakPolarHBondContact CA-O 3.3Å; R243-K281 HydrophobicContact CB-CB 4.41Å; R243-K281 HydrophobicContact CG-CB 4.19Å; R243-K281 HydrophobicContact CG-CG 4.47Å; R243-K281 WeakPolarHBondContact CG-O 3.35Å; R243-K281 VanDerWaalsContact CZ-CE 3.46Å; R243-K281 VanDerWaalsContact CZ-NZ 3.31Å; R243-V283 HydrophobicContact CG-CG2 4.06Å; R243-Y364 VanDerWaalsContact CZ-OH 3.29Å; R243-Y364 PolarHBondContact NH1-OH 2.76Å
244L98.2Very high97.3Very high0 Ų020.7 Ų20.70%010%0.1CC..EExtended strand (participates in β ladder)trans-108.4145.6172.1-52.8-174.2000110.2L233 M236 I246 S275 F280 K281 V283L233-L244 HydrophobicContact CD2-CD1 3.51Å; M236-L244 HydrophobicContact CE-CD2 4.33Å; M236-L244 HydrophobicContact SD-CD1 4.3Å; M236-L244 HydrophobicContact SD-CD2 3.21Å; M236-L244 WeakPolarHBondContact SD-CD2 3.35Å; M236-L244 HydrophobicContact SD-CG 4.39Å; L244-I246 HydrophobicContact CB-CD1 4.34Å; L244-I246 HydrophobicContact CB-CG1 4.19Å; L244-I246 HydrophobicContact CD1-CD1 4.48Å; L244-S275 VanDerWaalsContact CD1-OG 3.24Å; L244-S275 WeakPolarHBondContact CD1-OG 3.29Å; L244-F280 HydrophobicContact CD1-CB 4.23Å; L244-F280 HydrophobicContact CD1-CD2 4.14Å; L244-F280 HydrophobicContact CD1-CG 4.06Å; L244-F280 HydrophobicContact CD2-CD1 3.86Å; L244-F280 HydrophobicContact CD2-CE1 4.02Å; L244-F280 HydrophobicContact CD2-CG 4.21Å; L244-F280 HydrophobicContact CD2-CZ 4.48Å; L244-F280 HydrophobicContact CG-CB 3.96Å; L244-F280 HydrophobicContact CG-CD1 3.94Å; L244-F280 HydrophobicContact CG-CD2 4.4Å; L244-F280 HydrophobicContact CG-CG 3.85Å; L244-K281 PolarHBondContact N-O 2.83Å; L244-V283 PolarHBondContact O-N 2.79Å
245E97.8Very high97.2Very high0 Ų019.1 Ų19.10%09%0.089CC..EExtended strand (participates in β ladder)trans-114.7113.3166.6-84-170.4-160.700110T220 I221 E222 T223 V283 H285 K317T220-E245 HydrophobicContact CG2-CB 4.26Å; T220-E245 HydrophobicContact CG2-CG 3.58Å; I221-E245 PolarHBondContact O-N 2.92Å; E222-E245 WeakPolarHBondContact CA-O 3.48Å; E222-E245 HydrophobicContact CB-CB 4.41Å; T223-E245 PolarHBondContact N-O 2.92Å; E245-V283 CarbonylContact C-O 3.56Å; E245-V283 VanDerWaalsContact CA-O 3.24Å; E245-V283 WeakPolarHBondContact CA-O 3.48Å; E245-V283 HydrophobicContact CG-CB 3.91Å; E245-V283 HydrophobicContact CG-CG1 4.04Å; E245-H285 IonicContact OE2-CE1 3.83Å; E245-H285 IonicContact OE2-NE2 2.74Å; E245-H285 PolarHBondContact OE2-NE2 2.84Å; E245-K317 WeakPolarHBondContact OE1-CE 3.21Å; E245-K317 IonicContact OE1-NZ 2.65Å; E245-K317 PolarHBondContact OE1-NZ 2.9Å; E245-K317 WeakPolarHBondContact OE2-CE 3.34Å; E245-K317 IonicContact OE2-NZ 2.77Å; E245-K317 PolarHBondContact OE2-NZ 3.47Å
246I97.1Very high97.1Very high0 Ų018.1 Ų18.10%09%0.086CC..EExtended strand (participates in β ladder)trans-117.3122.6-171.6-58.9176.7000109.8T223 P225 L244 V248 F272 V282 V283 S284 H285T223-I246 HydrophobicContact CG2-CG1 4.39Å; P225-I246 HydrophobicContact CB-CG2 4.43Å; P225-I246 HydrophobicContact CG-CG2 3.63Å; L244-I246 HydrophobicContact CB-CD1 4.34Å; L244-I246 HydrophobicContact CB-CG1 4.19Å; L244-I246 HydrophobicContact CD1-CD1 4.48Å; I246-V248 PolarHBondContact O-N 2.89Å; I246-F272 HydrophobicContact CB-CE1 3.97Å; I246-F272 HydrophobicContact CD1-CD1 3.86Å; I246-F272 HydrophobicContact CD1-CE1 3.89Å; I246-F272 HydrophobicContact CG1-CE1 4.49Å; I246-F272 HydrophobicContact CG2-CE1 3.98Å; I246-V282 HydrophobicContact CD1-CG1 4.13Å; I246-V283 PolarHBondContact N-O 2.94Å; I246-S284 CarbonylContact O-C 3.55Å; I246-S284 VanDerWaalsContact O-CA 3.23Å; I246-S284 WeakPolarHBondContact O-CA 3.48Å; I246-H285 PolarHBondContact O-N 2.87Å
247G94.3Very high96.9Very high3 Ų326.2 Ų26.23%0.03112%0.116CC..EExtended strand (participates in β ladder)trans-78.4100.2178.100000113.2R261 H263G247-R261 PolarHBondContact O-NE 3.3Å; G247-R261 PolarHBondContact O-NH2 3.41Å; G247-H263 PolarHBondContact O-NE2 3.29Å
248V95.8Very high96.8Very high6 Ų629 Ų294%0.03613%0.131CC..EExtended strand (participates in β ladder)trans-87-49.4177.9-178.30000110.8I246 S250 V268 F272 H285 M286I246-V248 PolarHBondContact O-N 2.89Å; V248-S250 PolarHBondContact O-N 3.28Å; V248-V268 HydrophobicContact CB-CG1 4.27Å; V248-V268 HydrophobicContact CG1-CG1 3.99Å; V248-V268 HydrophobicContact CG1-CG2 4.3Å; V248-V268 HydrophobicContact CG2-CG1 3.47Å; V248-V268 VanDerWaalsContact CG2-CG1 3.47Å; V248-V268 HydrophobicContact CG2-CG2 4.39Å; V248-F272 HydrophobicContact CG2-CE1 4.12Å; V248-F272 HydrophobicContact CG2-CZ 3.63Å; V248-H285 PolarHBondContact N-O 2.88Å; V248-H285 VanDerWaalsContact N-O 3.08Å; V248-M286 HydrophobicContact CB-SD 3.85Å; V248-M286 HydrophobicContact CG1-SD 3.68Å
249Q96.1Very high96.7Very high10 Ų1024 Ų245%0.04711%0.113CC..EExtended strand (participates in β ladder)trans67.1-44.5179.4-36.1-45.1-9.800115Y112 H285 M287 L290Y112-Q249 WeakPolarHBondContact OH-CG 2.99Å; Q249-H285 PolarHBondContact N-O 2.99Å; Q249-H285 PolarHBondContact OE1-O 2.76Å; Q249-M287 HydrophobicContact CB-CB 4.3Å; Q249-M287 HydrophobicContact CB-CG 4.09Å; Q249-M287 HydrophobicContact CB-SD 4.03Å; Q249-M287 HydrophobicContact CG-CG 4.44Å; Q249-M287 HydrophobicContact CG-SD 4.01Å; Q249-M287 PolarHBondContact O-N 2.97Å; Q249-M287 VanDerWaalsContact OE1-CG 3.32Å; Q249-L290 HydrophobicContact CB-CD1 4.23Å
250S97.3Very high96.5Very high4 Ų425.3 Ų25.33%0.02812%0.12CC..  trans-149.7151.3175177.30000111V248 Y252V248-S250 PolarHBondContact O-N 3.28Å; S250-Y252 VanDerWaalsContact C-N 3.28Å; S250-Y252 PolarHBondContact OG-N 3.09Å; S250-Y252 VanDerWaalsContact OG-N 3.12Å
251V97.6Very high96.3Very high16 Ų1626.2 Ų26.210%0.09712%0.122CC..SBendtrans-83.8-4171.9-52.60000112.9V265 M286 Q301 E304 Y305 F311V251-V265 WeakPolarHBondContact O-CG1 3.35Å; V251-M286 HydrophobicContact CG1-CE 3.92Å; V251-Q301 HydrophobicContact CG1-CB 4.49Å; V251-Q301 HydrophobicContact CG2-CB 3.53Å; V251-E304 HydrophobicContact CG2-CB 4.49Å; V251-E304 HydrophobicContact CG2-CG 4.23Å; V251-Y305 HydrophobicContact CG1-CD2 3.96Å; V251-F311 HydrophobicContact CB-CE2 4.2Å; V251-F311 HydrophobicContact CB-CZ 3.98Å; V251-F311 HydrophobicContact CG1-CD2 4.44Å; V251-F311 HydrophobicContact CG1-CE1 4.37Å; V251-F311 HydrophobicContact CG1-CE2 4.13Å; V251-F311 HydrophobicContact CG1-CZ 4.08Å
252Y97.9Very high96Very high51 Ų5127.5 Ų27.520%0.214%0.136CC..  trans-101128.5-175.9-53.9-66.5000112.8S250 D254 V255 A256 R297 Q301S250-Y252 VanDerWaalsContact C-N 3.28Å; S250-Y252 PolarHBondContact OG-N 3.09Å; S250-Y252 VanDerWaalsContact OG-N 3.12Å; Y252-D254 WeakPolarHBondContact CB-OD1 3.35Å; Y252-D254 PolarHBondContact O-N 3.05Å; Y252-V255 HydrophobicContact CD2-CG2 4.15Å; Y252-V255 HydrophobicContact CG-CG2 4.44Å; Y252-V255 PolarHBondContact O-N 3.27Å; Y252-A256 PolarHBondContact O-N 2.84Å; Y252-R297 HydrophobicContact CE2-CB 3.89Å; Y252-R297 VanDerWaalsContact CG-NH2 3.34Å; Y252-R297 PolarHBondContact OH-O 3.22Å; Y252-Q301 HydrophobicContact CD2-CB 4.37Å; Y252-Q301 HydrophobicContact CE2-CB 3.69Å; Y252-Q301 HydrophobicContact CE2-CG 4.41Å
253E96.8Very high95.7Very high79 Ų7927.8 Ų27.837%0.36914%0.136SC..Hα-helixtrans-65.7-35.1179.7-68.1-72.1-173.400112.8A256 R257 T264 V265 K266E253-A256 PolarHBondContact O-N 3.46Å; E253-R257 WeakPolarHBondContact O-CB 3.25Å; E253-R257 PolarHBondContact O-N 2.91Å; E253-T264 WeakPolarHBondContact OE1-CB 3.38Å; E253-T264 VanDerWaalsContact OE2-CA 3.29Å; E253-T264 WeakPolarHBondContact OE2-CA 3.31Å; E253-T264 WeakPolarHBondContact OE2-CB 3.35Å; E253-V265 HydrophobicContact CG-CB 4.12Å; E253-V265 HydrophobicContact CG-CG2 4.08Å; E253-V265 WeakPolarHBondContact OE1-CA 3.31Å; E253-V265 VanDerWaalsContact OE1-CB 3.29Å; E253-V265 WeakPolarHBondContact OE1-CB 2.98Å; E253-V265 PolarHBondContact OE1-N 3.18Å; E253-V265 PolarHBondContact OE2-N 2.99Å; E253-K266 PolarHBondContact OE1-N 2.77Å
254D97.3Very high95.5Very high45 Ų4530.4 Ų30.424%0.24115%0.153CC..Hα-helixtrans-62.4-44.117563.5-34.2000111.1Y252 R257 D258 R297Y252-D254 WeakPolarHBondContact CB-OD1 3.35Å; Y252-D254 PolarHBondContact O-N 3.05Å; D254-R257 PolarHBondContact O-N 3.16Å; D254-D258 VanDerWaalsContact O-CB 3.31Å; D254-D258 WeakPolarHBondContact O-CB 3.22Å; D254-D258 PolarHBondContact O-N 2.98Å; D254-R297 VanDerWaalsContact CG-NH2 3.34Å; D254-R297 IonicContact OD1-NH2 2.92Å; D254-R297 PolarHBondContact OD1-NH2 2.98Å; D254-R297 IonicContact OD2-CZ 3.38Å; D254-R297 IonicContact OD2-NH1 2.88Å; D254-R297 PolarHBondContact OD2-NH1 3.31Å; D254-R297 IonicContact OD2-NH2 2.89Å; D254-R297 PolarHBondContact OD2-NH2 3.43Å
255V96.9Very high95.5Very high0 Ų030.9 Ų30.90%016%0.156CC..Hα-helixtrans-65.4-41176.6-179.50000111Y252 R257 D258 T259 L290 V293Y252-V255 HydrophobicContact CD2-CG2 4.15Å; Y252-V255 HydrophobicContact CG-CG2 4.44Å; Y252-V255 PolarHBondContact O-N 3.27Å; V255-R257 VanDerWaalsContact C-N 3.32Å; V255-R257 PolarHBondContact O-N 3.32Å; V255-D258 PolarHBondContact O-N 3.38Å; V255-T259 HydrophobicContact CG1-CG2 4.19Å; V255-T259 WeakPolarHBondContact O-CB 3.45Å; V255-T259 VanDerWaalsContact O-CG2 3.28Å; V255-T259 WeakPolarHBondContact O-CG2 3.49Å; V255-T259 PolarHBondContact O-N 3.5Å; V255-T259 PolarHBondContact O-OG1 3.43Å; V255-L290 HydrophobicContact CG1-CB 4.15Å; V255-L290 HydrophobicContact CG1-CD1 3.87Å; V255-V293 HydrophobicContact CG1-CG2 3.98Å; V255-V293 HydrophobicContact CG2-CG2 3.67Å
256A95.1Very high95.4Very high10 Ų1037.3 Ų37.38%0.08318%0.184CC..Hα-helixtrans-61.6-40.7176.400000112.1Y252 E253 T259 N260 R261 V265Y252-A256 PolarHBondContact O-N 2.84Å; E253-A256 PolarHBondContact O-N 3.46Å; A256-T259 PolarHBondContact O-OG1 3.41Å; A256-N260 PolarHBondContact O-N 3.41Å; A256-R261 HydrophobicContact CB-CB 4.26Å; A256-R261 VanDerWaalsContact O-CB 3.28Å; A256-R261 WeakPolarHBondContact O-CB 3.42Å; A256-R261 PolarHBondContact O-N 2.7Å; A256-V265 HydrophobicContact CB-CG2 4.43Å
257R94.2Very high95.3Very high170 Ų17038.3 Ų38.364%0.64219%0.192SC*.Hα-helixtrans-66.9-53.2174.8-179.2-167.762.9-126.7-7.9111.5E253 D254 V255 T259 N260E253-R257 WeakPolarHBondContact O-CB 3.25Å; E253-R257 PolarHBondContact O-N 2.91Å; D254-R257 PolarHBondContact O-N 3.16Å; V255-R257 VanDerWaalsContact C-N 3.32Å; V255-R257 PolarHBondContact O-N 3.32Å; R257-T259 PolarHBondContact O-N 2.93Å; R257-N260 PolarHBondContact O-N 2.93Å
258D94.3Very high95.5Very high65 Ų6538.2 Ų38.235%0.34819%0.191SC..Hα-helixtrans-65-29.6-174.1-67.33.9000112D254 V255 N260 N292D254-D258 VanDerWaalsContact O-CB 3.31Å; D254-D258 WeakPolarHBondContact O-CB 3.22Å; D254-D258 PolarHBondContact O-N 2.98Å; V255-D258 PolarHBondContact O-N 3.38Å; D258-N260 VanDerWaalsContact C-N 3.32Å; D258-N292 PolarHBondContact OD2-ND2 2.87Å
259T95Very high95.5Very high3 Ų339.2 Ų39.22%0.01820%0.198CC..THydrogen-bonded Turntrans-87.53175.261.50000114.3C110 V111 Y112 V255 A256 R257 L290C110-T259 CarbonylContact C-O 3.55Å; C110-T259 VanDerWaalsContact CA-O 3.27Å; C110-T259 WeakPolarHBondContact CA-O 3.41Å; V111-T259 HydrophobicContact CG2-CG2 4.06Å; V111-T259 PolarHBondContact N-O 2.68Å; Y112-T259 HydrophobicContact CD1-CG2 4.23Å; Y112-T259 HydrophobicContact CE1-CG2 4.01Å; V255-T259 HydrophobicContact CG1-CG2 4.19Å; V255-T259 WeakPolarHBondContact O-CB 3.45Å; V255-T259 VanDerWaalsContact O-CG2 3.28Å; V255-T259 WeakPolarHBondContact O-CG2 3.49Å; V255-T259 PolarHBondContact O-N 3.5Å; V255-T259 PolarHBondContact O-OG1 3.43Å; A256-T259 PolarHBondContact O-OG1 3.41Å; R257-T259 PolarHBondContact O-N 2.93Å; T259-L290 HydrophobicContact CG2-CD2 4.31Å
260N94.7Very high95.5Very high33 Ų3343.6 Ų43.618%0.17622%0.219CC..THydrogen-bonded Turntrans54.149.6-177.3-173.136.9000112.6H102 T106 N108 V109 C110 A256 R257 D258 G262H102-N260 PolarHBondContact NE2-O 3.32Å; T106-N260 WeakPolarHBondContact CB-OD1 3.37Å; T106-N260 WeakPolarHBondContact CG2-OD1 3.23Å; T106-N260 PolarHBondContact OG1-ND2 3.48Å; T106-N260 PolarHBondContact OG1-OD1 3.04Å; N108-N260 VanDerWaalsContact C-ND2 3.28Å; N108-N260 PolarHBondContact O-ND2 3.12Å; V109-N260 PolarHBondContact O-ND2 2.95Å; C110-N260 WeakPolarHBondContact CA-O 3.37Å; C110-N260 PolarHBondContact SG-O 3.02Å; A256-N260 PolarHBondContact O-N 3.41Å; R257-N260 PolarHBondContact O-N 2.93Å; D258-N260 VanDerWaalsContact C-N 3.32Å; N260-G262 VanDerWaalsContact C-N 3.28Å; N260-G262 PolarHBondContact O-N 3.04Å
261R92.2Very high95.5Very high24 Ų2443.6 Ų43.69%0.09122%0.219CC..  trans-66.7-31.1-178.4-172.470-170.7108.43.4112.7Y112 R224 G247 A256 H263Y112-R261 WeakPolarHBondContact OH-CD 3.3Å; R224-R261 PolarHBondContact NH1-O 3.02Å; R224-R261 VanDerWaalsContact NH1-O 3.09Å; R224-R261 PolarHBondContact NH2-O 3.06Å; G247-R261 PolarHBondContact O-NE 3.3Å; G247-R261 PolarHBondContact O-NH2 3.41Å; A256-R261 HydrophobicContact CB-CB 4.26Å; A256-R261 VanDerWaalsContact O-CB 3.28Å; A256-R261 WeakPolarHBondContact O-CB 3.42Å; A256-R261 PolarHBondContact O-N 2.7Å; R261-H263 VanDerWaalsContact C-N 3.33Å; R261-H263 VanDerWaalsContact CG-NE2 3.3Å; R261-H263 WeakPolarHBondContact CG-NE2 3.33Å; R261-H263 VanDerWaalsContact CZ-NE2 3.32Å; R261-H263 PolarHBondContact NE-NE2 2.93Å; R261-H263 PolarHBondContact NH2-NE2 3.12Å
262G90.7Very high95.6Very high28 Ų2842.8 Ų42.829%0.28921%0.214SC..SBendtrans76.512.8-179.400000114.9R224 N260R224-G262 VanDerWaalsContact NH2-C 3.34Å; R224-G262 PolarHBondContact NH2-O 2.79Å; N260-G262 VanDerWaalsContact C-N 3.28Å; N260-G262 PolarHBondContact O-N 3.04Å
263H92.7Very high95.5Very high22 Ų2241.6 Ų41.610%0.10221%0.21CC..SBendtrans-147.3160.3167.465.872.9000109.1P225 G247 R261P225-H263 WeakPolarHBondContact CD-NE2 3.42Å; G247-H263 PolarHBondContact O-NE2 3.29Å; R261-H263 VanDerWaalsContact C-N 3.33Å; R261-H263 VanDerWaalsContact CG-NE2 3.3Å; R261-H263 WeakPolarHBondContact CG-NE2 3.33Å; R261-H263 VanDerWaalsContact CZ-NE2 3.32Å; R261-H263 PolarHBondContact NE-NE2 2.93Å; R261-H263 PolarHBondContact NH2-NE2 3.12Å
264T94.5Very high95.5Very high69 Ų6939.1 Ų39.142%0.42320%0.199SC..  trans-84.8163.9176.557.90000111.5E253 K266 A267 V268E253-T264 WeakPolarHBondContact OE1-CB 3.38Å; E253-T264 VanDerWaalsContact OE2-CA 3.29Å; E253-T264 WeakPolarHBondContact OE2-CA 3.31Å; E253-T264 WeakPolarHBondContact OE2-CB 3.35Å; T264-K266 VanDerWaalsContact C-N 3.31Å; T264-A267 PolarHBondContact O-N 3.47Å; T264-A267 WeakPolarHBondContact OG1-CB 3.43Å; T264-A267 PolarHBondContact OG1-N 2.99Å; T264-A267 VanDerWaalsContact OG1-N 3.13Å; T264-V268 PolarHBondContact O-N 3.39Å
265V96.7Very high95.5Very high10 Ų1037 Ų376%0.06119%0.188CC..Hα-helixtrans-67.9-35.3167.5-177.30000109.9V251 E253 A256 A267 V268 C269 F311V251-V265 WeakPolarHBondContact O-CG1 3.35Å; E253-V265 HydrophobicContact CG-CB 4.12Å; E253-V265 HydrophobicContact CG-CG2 4.08Å; E253-V265 WeakPolarHBondContact OE1-CA 3.31Å; E253-V265 VanDerWaalsContact OE1-CB 3.29Å; E253-V265 WeakPolarHBondContact OE1-CB 2.98Å; E253-V265 PolarHBondContact OE1-N 3.18Å; E253-V265 PolarHBondContact OE2-N 2.99Å; A256-V265 HydrophobicContact CB-CG2 4.43Å; V265-A267 VanDerWaalsContact C-N 3.28Å; V265-A267 PolarHBondContact O-N 3.37Å; V265-V268 WeakPolarHBondContact O-CA 3.09Å; V265-V268 WeakPolarHBondContact O-CB 3.44Å; V265-V268 PolarHBondContact O-N 3.44Å; V265-C269 PolarHBondContact O-N 3.37Å; V265-C269 VanDerWaalsContact O-N 3.13Å; V265-C269 PolarHBondContact O-SG 3.06Å; V265-F311 HydrophobicContact CG1-CE1 3.61Å; V265-F311 HydrophobicContact CG1-CZ 3.53Å
266K95.8Very high95.5Very high135 Ų13537 Ų3759%0.58719%0.188SC*.Hα-helixtrans-54.1-44.6171.8-174.2177.5178.6-175.60112.5E253 T264 V268 C269 E270E253-K266 PolarHBondContact OE1-N 2.77Å; T264-K266 VanDerWaalsContact C-N 3.31Å; K266-V268 PolarHBondContact O-N 2.91Å; K266-C269 PolarHBondContact O-N 3.4Å; K266-C269 VanDerWaalsContact O-N 3.14Å; K266-E270 WeakPolarHBondContact CE-OE1 3.36Å; K266-E270 WeakPolarHBondContact O-CG 3.18Å; K266-E270 PolarHBondContact O-N 2.91Å
267A95.9Very high95.5Very high21 Ų2136.5 Ų36.517%0.17418%0.184CC..Hα-helixtrans-62.8-31176.600000112.6P225 T264 V265 S271P225-A267 HydrophobicContact CB-CB 4.46Å; T264-A267 PolarHBondContact O-N 3.47Å; T264-A267 WeakPolarHBondContact OG1-CB 3.43Å; T264-A267 PolarHBondContact OG1-N 2.99Å; T264-A267 VanDerWaalsContact OG1-N 3.13Å; V265-A267 VanDerWaalsContact C-N 3.28Å; V265-A267 PolarHBondContact O-N 3.37Å; A267-S271 VanDerWaalsContact O-CB 3.3Å; A267-S271 WeakPolarHBondContact O-CB 3.31Å; A267-S271 PolarHBondContact O-N 3.49Å; A267-S271 PolarHBondContact O-OG 2.88Å
268V97.4Very high95.7Very high1 Ų128.4 Ų28.41%0.00615%0.153CC..Hα-helixtrans-61.2-52.8171.1174.20000110.1P225 V248 T264 V265 K266 E270 S271 F272P225-V268 HydrophobicContact CB-CG2 4.27Å; P225-V268 HydrophobicContact CG-CB 4.35Å; P225-V268 HydrophobicContact CG-CG2 3.57Å; V248-V268 HydrophobicContact CB-CG1 4.27Å; V248-V268 HydrophobicContact CG1-CG1 3.99Å; V248-V268 HydrophobicContact CG1-CG2 4.3Å; V248-V268 HydrophobicContact CG2-CG1 3.47Å; V248-V268 VanDerWaalsContact CG2-CG1 3.47Å; V248-V268 HydrophobicContact CG2-CG2 4.39Å; T264-V268 PolarHBondContact O-N 3.39Å; V265-V268 WeakPolarHBondContact O-CA 3.09Å; V265-V268 WeakPolarHBondContact O-CB 3.44Å; V265-V268 PolarHBondContact O-N 3.44Å; K266-V268 PolarHBondContact O-N 2.91Å; V268-E270 VanDerWaalsContact C-N 3.32Å; V268-E270 PolarHBondContact O-N 3.49Å; V268-S271 WeakPolarHBondContact O-CB 3.39Å; V268-S271 PolarHBondContact O-N 2.91Å; V268-S271 VanDerWaalsContact O-N 3.13Å; V268-S271 PolarHBondContact O-OG 3.06Å; V268-F272 HydrophobicContact CG1-CD1 4.17Å; V268-F272 HydrophobicContact CG1-CE1 3.81Å; V268-F272 HydrophobicContact CG1-CE2 4.26Å; V268-F272 HydrophobicContact CG1-CZ 3.87Å; V268-F272 WeakPolarHBondContact O-CD1 3.49Å; V268-F272 PolarHBondContact O-N 3.43Å
269C97.4Very high95.9Very high27 Ų2725.3 Ų25.318%0.18214%0.137CC..Hα-helixtrans-59.9-42.4-177.9-59.10000112.1V265 K266 F272 H273 A310 F311 N431V265-C269 PolarHBondContact O-N 3.37Å; V265-C269 VanDerWaalsContact O-N 3.13Å; V265-C269 PolarHBondContact O-SG 3.06Å; K266-C269 PolarHBondContact O-N 3.4Å; K266-C269 VanDerWaalsContact O-N 3.14Å; C269-F272 PolarHBondContact O-N 3.07Å; C269-H273 PolarHBondContact O-N 3.35Å; C269-A310 HydrophobicContact CB-CB 4.27Å; C269-F311 WeakPolarHBondContact SG-CE1 3.38Å; C269-N431 PolarHBondContact O-ND2 3.28Å
270E96.3Very high96Very high102 Ų10225.2 Ų25.248%0.47714%0.136SC..Hα-helixtrans-63.6-43.3175.1-70.1173.2-179.900111.6K266 V268 F272 H273 L274K266-E270 WeakPolarHBondContact CE-OE1 3.36Å; K266-E270 WeakPolarHBondContact O-CG 3.18Å; K266-E270 PolarHBondContact O-N 2.91Å; V268-E270 VanDerWaalsContact C-N 3.32Å; V268-E270 PolarHBondContact O-N 3.49Å; E270-F272 VanDerWaalsContact C-N 3.31Å; E270-F272 PolarHBondContact O-N 2.8Å; E270-H273 PolarHBondContact O-N 3.37Å; E270-L274 PolarHBondContact O-N 3.01Å
271S97.2Very high96.2Very high4 Ų424.1 Ų24.13%0.02813%0.13CC..Hα-helixtrans-61.4-39.9176.576.10000112.2A267 V268 S275A267-S271 VanDerWaalsContact O-CB 3.3Å; A267-S271 WeakPolarHBondContact O-CB 3.31Å; A267-S271 PolarHBondContact O-N 3.49Å; A267-S271 PolarHBondContact O-OG 2.88Å; V268-S271 WeakPolarHBondContact O-CB 3.39Å; V268-S271 PolarHBondContact O-N 2.91Å; V268-S271 VanDerWaalsContact O-N 3.13Å; V268-S271 PolarHBondContact O-OG 3.06Å; S271-S275 WeakPolarHBondContact O-CB 3.5Å; S271-S275 PolarHBondContact O-N 3.4Å; S271-S275 PolarHBondContact O-OG 3.18Å
272F97.8Very high96.5Very high0 Ų023 Ų230%013%0.125CC..Hα-helixtrans-64.6-45.1177.6-78.915000110.7I246 V248 V268 C269 E270 S275 K276 V282 F311 N431I246-F272 HydrophobicContact CB-CE1 3.97Å; I246-F272 HydrophobicContact CD1-CD1 3.86Å; I246-F272 HydrophobicContact CD1-CE1 3.89Å; I246-F272 HydrophobicContact CG1-CE1 4.49Å; I246-F272 HydrophobicContact CG2-CE1 3.98Å; V248-F272 HydrophobicContact CG2-CE1 4.12Å; V248-F272 HydrophobicContact CG2-CZ 3.63Å; V268-F272 HydrophobicContact CG1-CD1 4.17Å; V268-F272 HydrophobicContact CG1-CE1 3.81Å; V268-F272 HydrophobicContact CG1-CE2 4.26Å; V268-F272 HydrophobicContact CG1-CZ 3.87Å; V268-F272 WeakPolarHBondContact O-CD1 3.49Å; V268-F272 PolarHBondContact O-N 3.43Å; C269-F272 PolarHBondContact O-N 3.07Å; E270-F272 VanDerWaalsContact C-N 3.31Å; E270-F272 PolarHBondContact O-N 2.8Å; F272-S275 PolarHBondContact O-N 2.9Å; F272-K276 WeakPolarHBondContact O-CB 3.08Å; F272-K276 VanDerWaalsContact O-CG 3.23Å; F272-K276 WeakPolarHBondContact O-CG 3.46Å; F272-K276 PolarHBondContact O-N 2.93Å; F272-V282 HydrophobicContact CD1-CG1 3.63Å; F272-V282 HydrophobicContact CD2-CG1 4.49Å; F272-V282 HydrophobicContact CE1-CG1 3.55Å; F272-V282 HydrophobicContact CE2-CG1 4.43Å; F272-V282 HydrophobicContact CG-CG1 4.1Å; F272-V282 HydrophobicContact CZ-CG1 3.97Å; F272-F311 WeakPolarHBondContact CD2-O 3.33Å; F272-N431 VanDerWaalsContact CB-ND2 3.35Å; F272-N431 WeakPolarHBondContact CB-ND2 3.49Å
273H96.3Very high96.8Very high25 Ų2521.6 Ų21.612%0.11611%0.112CC..Hα-helixtrans-56.4-57.8177-162.3149.1000111.6C269 E270 S275 K276 D277 N431 S458 Q460C269-H273 PolarHBondContact O-N 3.35Å; E270-H273 PolarHBondContact O-N 3.37Å; H273-S275 VanDerWaalsContact C-N 3.26Å; H273-S275 PolarHBondContact O-N 3.17Å; H273-K276 PolarHBondContact O-N 2.58Å; H273-D277 IonicContact CD2-OD2 2.68Å; H273-D277 PolarHBondContact CD2-OD2 2.89Å; H273-D277 IonicContact NE2-OD2 3.1Å; H273-D277 PolarHBondContact NE2-OD2 2.76Å; H273-D277 VanDerWaalsContact NE2-OD2 3.14Å; H273-D277 PolarHBondContact O-N 2.63Å; H273-N431 HydrophobicContact CB-CB 3.79Å; H273-N431 PolarHBondContact CD2-O 2.57Å; H273-N431 VanDerWaalsContact CD2-O 3.24Å; H273-N431 PolarHBondContact CE1-O 3.3Å; H273-N431 VanDerWaalsContact CE1-O 3.26Å; H273-N431 VanDerWaalsContact CG-O 3.31Å; H273-N431 PolarHBondContact ND1-O 3.48Å; H273-N431 PolarHBondContact NE2-O 3.29Å; H273-S458 PolarHBondContact NE2-OG 2.91Å; H273-Q460 VanDerWaalsContact CE1-CD 3.45Å; H273-Q460 PolarHBondContact CE1-OE1 3.2Å; H273-Q460 PolarHBondContact ND1-OE1 3.17Å; H273-Q460 PolarHBondContact NE2-OE1 2.73Å
274L96.6Very high97.1Very high28 Ų2820.6 Ų20.615%0.14711%0.107CC..Hα-helixtrans-60.1-38.3-178.5-67.5176.1000112.1K230 L233 E270 A278 F462K230-L274 HydrophobicContact CG-CD1 4.45Å; K230-L274 HydrophobicContact CG-CD2 4.37Å; L233-L274 HydrophobicContact CD1-CB 3.59Å; E270-L274 PolarHBondContact O-N 3.01Å; L274-A278 VanDerWaalsContact O-CB 3.32Å; L274-A278 WeakPolarHBondContact O-CB 3.42Å; L274-A278 PolarHBondContact O-N 3.1Å; L274-F462 HydrophobicContact CD2-CD1 4.16Å; L274-F462 HydrophobicContact CD2-CE1 4.47Å
275S98Very high97.2Very high0 Ų017.4 Ų17.40%09%0.087CC..Hα-helixtrans-66.3-45.5179.3-590000111.8L244 S271 F272 H273 A278 G279 F280L244-S275 VanDerWaalsContact CD1-OG 3.24Å; L244-S275 WeakPolarHBondContact CD1-OG 3.29Å; S271-S275 WeakPolarHBondContact O-CB 3.5Å; S271-S275 PolarHBondContact O-N 3.4Å; S271-S275 PolarHBondContact O-OG 3.18Å; F272-S275 PolarHBondContact O-N 2.9Å; H273-S275 VanDerWaalsContact C-N 3.26Å; H273-S275 PolarHBondContact O-N 3.17Å; S275-A278 CarbonylContact O-C 3.6Å; S275-A278 PolarHBondContact O-N 3.06Å; S275-G279 PolarHBondContact O-N 3.24Å; S275-F280 WeakPolarHBondContact O-CB 2.85Å; S275-F280 PolarHBondContact O-N 2.89Å
276K97.8Very high97.3Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-66.6-40.5178.8-68.2-175.9177170.90111.7F272 H273 A278 G279 V282 F311 R312 N431 R455F272-K276 WeakPolarHBondContact O-CB 3.08Å; F272-K276 VanDerWaalsContact O-CG 3.23Å; F272-K276 WeakPolarHBondContact O-CG 3.46Å; F272-K276 PolarHBondContact O-N 2.93Å; H273-K276 PolarHBondContact O-N 2.58Å; K276-A278 VanDerWaalsContact C-N 3.3Å; K276-A278 PolarHBondContact O-N 3.32Å; K276-G279 WeakPolarHBondContact O-CA 3.42Å; K276-G279 PolarHBondContact O-N 3.42Å; K276-V282 HydrophobicContact CG-CG2 3.94Å; K276-F311 PolarHBondContact NZ-O 3.33Å; K276-R312 PolarHBondContact NZ-O 2.85Å; K276-N431 HydrophobicContact CD-CB 4.34Å; K276-N431 WeakPolarHBondContact CE-OD1 3.39Å; K276-N431 PolarHBondContact NZ-OD1 2.97Å; K276-R455 WeakPolarHBondContact O-CD 3.43Å
277D95.1Very high97.3Very high0 Ų010.8 Ų10.80%06%0.058CC..Hα-helixtrans-68.5-27.3174.9-82.8-6.1000113.2H273 G279 R455 S458 L466H273-D277 IonicContact CD2-OD2 2.68Å; H273-D277 PolarHBondContact CD2-OD2 2.89Å; H273-D277 IonicContact NE2-OD2 3.1Å; H273-D277 PolarHBondContact NE2-OD2 2.76Å; H273-D277 VanDerWaalsContact NE2-OD2 3.14Å; H273-D277 PolarHBondContact O-N 2.63Å; D277-G279 PolarHBondContact O-N 3.22Å; D277-R455 IonicContact OD1-CZ 2.81Å; D277-R455 IonicContact OD1-NE 3.93Å; D277-R455 PolarHBondContact OD1-NE 3.42Å; D277-R455 IonicContact OD1-NH2 3.58Å; D277-R455 PolarHBondContact OD1-NH2 3.41Å; D277-S458 PolarHBondContact OD1-N 3.25Å; D277-S458 WeakPolarHBondContact OD2-CB 3.23Å; D277-S458 PolarHBondContact OD2-OG 2.99Å; D277-L466 VanDerWaalsContact O-CD1 3.3Å; D277-L466 WeakPolarHBondContact O-CD1 3.28Å
278A97.1Very high97.4Very high0 Ų09.8 Ų9.80%05%0.05CC..THydrogen-bonded Turntrans-78.1-2167.700000113.1L237 L274 S275 K276 F280 F462 R463 Y558L237-A278 HydrophobicContact CD1-CB 4.43Å; L274-A278 VanDerWaalsContact O-CB 3.32Å; L274-A278 WeakPolarHBondContact O-CB 3.42Å; L274-A278 PolarHBondContact O-N 3.1Å; S275-A278 CarbonylContact O-C 3.6Å; S275-A278 PolarHBondContact O-N 3.06Å; K276-A278 VanDerWaalsContact C-N 3.3Å; K276-A278 PolarHBondContact O-N 3.32Å; A278-F280 HydrophobicContact CB-CD2 3.82Å; A278-F280 HydrophobicContact CB-CE2 3.92Å; A278-F462 HydrophobicContact CB-CE1 4.06Å; A278-F462 HydrophobicContact CB-CZ 4.19Å; A278-R463 HydrophobicContact CB-CG 4.46Å; A278-Y558 WeakPolarHBondContact O-CE1 3.3Å; A278-Y558 PolarHBondContact O-OH 3.07Å
279G97.9Very high97.4Very high0 Ų010 Ų100%05%0.05CC..THydrogen-bonded Turntrans93.6-9.317700000115.4S275 K276 D277 K281 I488 R490 I538S275-G279 PolarHBondContact O-N 3.24Å; K276-G279 WeakPolarHBondContact O-CA 3.42Å; K276-G279 PolarHBondContact O-N 3.42Å; D277-G279 PolarHBondContact O-N 3.22Å; G279-K281 PolarHBondContact O-N 2.68Å; G279-I488 VanDerWaalsContact CA-CD1 3.48Å; G279-R490 WeakPolarHBondContact O-CA 3.3Å; G279-R490 VanDerWaalsContact O-CB 3.29Å; G279-R490 WeakPolarHBondContact O-CB 3.19Å; G279-R490 VanDerWaalsContact O-CG 3.31Å; G279-R490 WeakPolarHBondContact O-CG 3.38Å; G279-I538 WeakPolarHBondContact O-CG2 3.38Å
280F98.5Very high97.4Very high0 Ų08.9 Ų8.90%04%0.043CC..  trans-61.8139.5-176-69.6-76.6000112.2L233 M236 L237 C241 L244 S275 A278 R490 I538L233-F280 HydrophobicContact CB-CE2 4.07Å; L233-F280 HydrophobicContact CD2-CD2 4.06Å; L233-F280 HydrophobicContact CD2-CE2 3.87Å; M236-F280 HydrophobicContact CB-CE1 4.2Å; M236-F280 HydrophobicContact CB-CZ 3.74Å; L237-F280 HydrophobicContact CB-CZ 4.43Å; L237-F280 HydrophobicContact CD1-CE2 4.41Å; L237-F280 HydrophobicContact CD2-CE1 4.06Å; L237-F280 HydrophobicContact CD2-CE2 3.9Å; L237-F280 HydrophobicContact CD2-CZ 3.57Å; L237-F280 HydrophobicContact CG-CE1 4.43Å; L237-F280 HydrophobicContact CG-CE2 3.8Å; L237-F280 HydrophobicContact CG-CZ 3.52Å; C241-F280 HydrophobicContact CB-CE1 3.86Å; C241-F280 VanDerWaalsContact O-CE1 3.32Å; C241-F280 WeakPolarHBondContact O-CE1 3.15Å; L244-F280 HydrophobicContact CD1-CB 4.23Å; L244-F280 HydrophobicContact CD1-CD2 4.14Å; L244-F280 HydrophobicContact CD1-CG 4.06Å; L244-F280 HydrophobicContact CD2-CD1 3.86Å; L244-F280 HydrophobicContact CD2-CE1 4.02Å; L244-F280 HydrophobicContact CD2-CG 4.21Å; L244-F280 HydrophobicContact CD2-CZ 4.48Å; L244-F280 HydrophobicContact CG-CB 3.96Å; L244-F280 HydrophobicContact CG-CD1 3.94Å; L244-F280 HydrophobicContact CG-CD2 4.4Å; L244-F280 HydrophobicContact CG-CG 3.85Å; S275-F280 WeakPolarHBondContact O-CB 2.85Å; S275-F280 PolarHBondContact O-N 2.89Å; A278-F280 HydrophobicContact CB-CD2 3.82Å; A278-F280 HydrophobicContact CB-CE2 3.92Å; F280-R490 PolarHBondContact O-NE 3.36Å; F280-R490 VanDerWaalsContact O-NE 3.17Å; F280-R490 PolarHBondContact O-NH2 3.48Å; F280-I538 HydrophobicContact CD1-CD1 3.81Å; F280-I538 HydrophobicContact CE1-CD1 4.08Å; F280-I538 HydrophobicContact CG-CD1 4.2Å
281K97.9Very high97.4Very high10 Ų104.6 Ų4.64%0.0432%0.024CC..EExtended strand (participates in β ladder)trans-71128.2159.7-172.6168.267.7-167.20109.6T242 R243 L244 G279 D314 Y364 E491T242-K281 PolarHBondContact O-N 2.81Å; T242-K281 VanDerWaalsContact O-N 3.1Å; R243-K281 CarbonylContact C-O 3.54Å; R243-K281 VanDerWaalsContact CA-O 3.26Å; R243-K281 WeakPolarHBondContact CA-O 3.3Å; R243-K281 HydrophobicContact CB-CB 4.41Å; R243-K281 HydrophobicContact CG-CB 4.19Å; R243-K281 HydrophobicContact CG-CG 4.47Å; R243-K281 WeakPolarHBondContact CG-O 3.35Å; R243-K281 VanDerWaalsContact CZ-CE 3.46Å; R243-K281 VanDerWaalsContact CZ-NZ 3.31Å; L244-K281 PolarHBondContact N-O 2.83Å; G279-K281 PolarHBondContact O-N 2.68Å; K281-D314 HydrophobicContact CD-CB 4.19Å; K281-D314 HydrophobicContact CG-CB 3.54Å; K281-Y364 VanDerWaalsContact CE-OH 3.31Å; K281-Y364 WeakPolarHBondContact CE-OH 3.26Å; K281-Y364 PolarHBondContact NZ-OH 3.33Å; K281-E491 HydrophobicContact CD-CB 4.32Å; K281-E491 VanDerWaalsContact CD-CD 3.42Å; K281-E491 HydrophobicContact CD-CG 4.24Å; K281-E491 WeakPolarHBondContact CD-OE2 3.25Å; K281-E491 IonicContact NZ-OE1 3.05Å; K281-E491 PolarHBondContact NZ-OE1 3.04Å; K281-E491 IonicContact NZ-OE2 3.69Å
282V98.3Very high97.1Very high0 Ų09.4 Ų9.40%05%0.049CC..EExtended strand (participates in β ladder)trans-104.5116.2-177-179.90000109.4I246 F272 K276 D314 G315I246-V282 HydrophobicContact CD1-CG1 4.13Å; F272-V282 HydrophobicContact CD1-CG1 3.63Å; F272-V282 HydrophobicContact CD2-CG1 4.49Å; F272-V282 HydrophobicContact CE1-CG1 3.55Å; F272-V282 HydrophobicContact CE2-CG1 4.43Å; F272-V282 HydrophobicContact CG-CG1 4.1Å; F272-V282 HydrophobicContact CZ-CG1 3.97Å; K276-V282 HydrophobicContact CG-CG2 3.94Å; V282-D314 PolarHBondContact N-OD2 3.17Å; V282-D314 PolarHBondContact O-N 2.73Å; V282-G315 PolarHBondContact O-N 3.35Å
283V98.3Very high97Very high0 Ų09.9 Ų9.90%05%0.052CC..EExtended strand (participates in β ladder)trans-105.4133168.4176.60000108.2R243 L244 E245 I246 G315 K317 Y364R243-V283 HydrophobicContact CG-CG2 4.06Å; L244-V283 PolarHBondContact O-N 2.79Å; E245-V283 CarbonylContact C-O 3.56Å; E245-V283 VanDerWaalsContact CA-O 3.24Å; E245-V283 WeakPolarHBondContact CA-O 3.48Å; E245-V283 HydrophobicContact CG-CB 3.91Å; E245-V283 HydrophobicContact CG-CG1 4.04Å; I246-V283 PolarHBondContact N-O 2.94Å; V283-G315 CarbonylContact C-O 3.58Å; V283-G315 VanDerWaalsContact CA-O 3.25Å; V283-G315 WeakPolarHBondContact CA-O 3.46Å; V283-K317 HydrophobicContact CG1-CD 4.35Å; V283-K317 HydrophobicContact CG1-CG 4.28Å; V283-Y364 HydrophobicContact CB-CE2 4.48Å; V283-Y364 HydrophobicContact CG1-CD2 3.91Å; V283-Y364 HydrophobicContact CG1-CE2 4.26Å; V283-Y364 HydrophobicContact CG2-CD2 3.91Å; V283-Y364 HydrophobicContact CG2-CE2 3.37Å
284S97.9Very high96.9Very high0 Ų010.2 Ų10.20%06%0.062CC..EExtended strand (participates in β ladder)trans-109.2162.7177.869.40000112.1I246 Y305 G315 L316 K317I246-S284 CarbonylContact O-C 3.55Å; I246-S284 VanDerWaalsContact O-CA 3.23Å; I246-S284 WeakPolarHBondContact O-CA 3.48Å; S284-Y305 WeakPolarHBondContact CB-OH 3.35Å; S284-Y305 PolarHBondContact OG-OH 3.04Å; S284-G315 PolarHBondContact N-O 3.47Å; S284-L316 CarbonylContact O-C 3.54Å; S284-L316 WeakPolarHBondContact O-CA 3.39Å; S284-L316 WeakPolarHBondContact OG-CD1 3.19Å; S284-K317 PolarHBondContact O-N 2.67Å
285H97.1Very high96.8Very high3 Ų312.1 Ų12.11%0.0147%0.068CC..EExtended strand (participates in β ladder)trans-111.5130.8165.3-49.6170.3000108.7E222 E245 I246 V248 Q249 K317 Y319E222-H285 IonicContact OE1-CE1 3.49Å; E245-H285 IonicContact OE2-CE1 3.83Å; E245-H285 IonicContact OE2-NE2 2.74Å; E245-H285 PolarHBondContact OE2-NE2 2.84Å; I246-H285 PolarHBondContact O-N 2.87Å; V248-H285 PolarHBondContact N-O 2.88Å; V248-H285 VanDerWaalsContact N-O 3.08Å; Q249-H285 PolarHBondContact N-O 2.99Å; Q249-H285 PolarHBondContact OE1-O 2.76Å; H285-K317 WeakPolarHBondContact CA-O 3.45Å; H285-K317 VanDerWaalsContact CD2-CD 3.49Å; H285-K317 WeakPolarHBondContact CD2-CD 3.37Å; H285-K317 WeakPolarHBondContact NE2-CD 3.26Å; H285-Y319 HydrophobicContact CB-CD2 4.04Å; H285-Y319 HydrophobicContact CB-CE2 4.23Å; H285-Y319 AromaticContact CG-CE2 3.8Å; H285-Y319 AromaticContact ND1-CE2 3.76Å
286M97.8Very high96.8Very high0 Ų019.7 Ų19.70%010%0.103CC..EExtended strand (participates in β ladder)trans-122146.4171.9-68.8-70.3-72.500109.7V248 V251 F302 Y305 L316 K317 Y319V248-M286 HydrophobicContact CB-SD 3.85Å; V248-M286 HydrophobicContact CG1-SD 3.68Å; V251-M286 HydrophobicContact CG1-CE 3.92Å; M286-F302 HydrophobicContact CB-CE1 3.62Å; M286-F302 HydrophobicContact CB-CZ 3.7Å; M286-F302 HydrophobicContact CG-CE1 4.16Å; M286-Y305 HydrophobicContact CE-CD2 4.08Å; M286-Y305 HydrophobicContact CE-CG 4.35Å; M286-Y305 HydrophobicContact CG-CD2 4.25Å; M286-Y305 HydrophobicContact CG-CE2 4.2Å; M286-Y305 HydrophobicContact SD-CD2 3.83Å; M286-Y305 HydrophobicContact SD-CE2 3.98Å; M286-Y305 HydrophobicContact SD-CG 4.49Å; M286-L316 HydrophobicContact CB-CD1 3.78Å; M286-L316 HydrophobicContact CG-CD1 3.46Å; M286-L316 VanDerWaalsContact CG-CD1 3.46Å; M286-K317 PolarHBondContact N-O 2.61Å; M286-Y319 PolarHBondContact O-N 2.95Å
287M97.6Very high96.8Very high6 Ų623.4 Ų23.43%0.0312%0.117CC..  trans-123.3103.4-176.7-66.3-178.562.200110.2Y112 Q249 L290 Y319Y112-M287 HydrophobicContact CD1-CE 4.27Å; Y112-M287 HydrophobicContact CD2-CE 3.76Å; Y112-M287 HydrophobicContact CD2-SD 3.92Å; Y112-M287 HydrophobicContact CE1-SD 4.46Å; Y112-M287 HydrophobicContact CE2-CE 4.22Å; Y112-M287 HydrophobicContact CE2-SD 3.74Å; Y112-M287 HydrophobicContact CG-CE 3.82Å; Y112-M287 HydrophobicContact CG-SD 4.39Å; Q249-M287 HydrophobicContact CB-CB 4.3Å; Q249-M287 HydrophobicContact CB-CG 4.09Å; Q249-M287 HydrophobicContact CB-SD 4.03Å; Q249-M287 HydrophobicContact CG-CG 4.44Å; Q249-M287 HydrophobicContact CG-SD 4.01Å; Q249-M287 PolarHBondContact O-N 2.97Å; Q249-M287 VanDerWaalsContact OE1-CG 3.32Å; M287-L290 HydrophobicContact CB-CD1 3.89Å; M287-L290 HydrophobicContact CB-CD2 4.23Å; M287-L290 HydrophobicContact CB-CG 3.84Å; M287-L290 HydrophobicContact CE-CD2 3.95Å; M287-L290 HydrophobicContact SD-CD2 4.47Å; M287-Y319 VanDerWaalsContact CA-O 3.3Å; M287-Y319 WeakPolarHBondContact CA-O 3.39Å; M287-Y319 WeakPolarHBondContact CB-O 3.42Å; M287-Y319 VanDerWaalsContact CG-O 3.28Å; M287-Y319 WeakPolarHBondContact CG-O 3.31Å
288P97.7Very high96.9Very high0 Ų023.4 Ų23.40%012%0.117CC..SBendtrans-70.1162166.327.5-29000110.8L290 D298 F302 I318 P320 T321 L349P288-L290 VanDerWaalsContact C-N 3.3Å; P288-L290 PolarHBondContact O-N 3.07Å; P288-D298 WeakPolarHBondContact CA-OD1 3.12Å; P288-F302 HydrophobicContact CB-CE2 4.02Å; P288-F302 HydrophobicContact CB-CZ 4.41Å; P288-F302 HydrophobicContact CG-CZ 4.45Å; P288-I318 HydrophobicContact CG-CG2 4Å; P288-P320 HydrophobicContact CG-CB 4.24Å; P288-P320 HydrophobicContact CG-CG 4.1Å; P288-T321 WeakPolarHBondContact O-CB 3.28Å; P288-T321 PolarHBondContact O-N 2.69Å; P288-T321 PolarHBondContact O-OG1 3.5Å; P288-L349 HydrophobicContact CB-CD2 3.83Å
289D97.2Very high96.9Very high4 Ų425.3 Ų25.32%0.02113%0.127CC..SBendtrans64.629.1178.2-163.617.8000113.7D298 T321 Y338 S340 Y341D289-D298 WeakPolarHBondContact CA-OD2 3.37Å; D289-D298 PolarHBondContact N-OD1 2.8Å; D289-D298 PolarHBondContact N-OD2 2.9Å; D289-T321 WeakPolarHBondContact O-CB 3.48Å; D289-T321 PolarHBondContact O-OG1 2.82Å; D289-Y338 WeakPolarHBondContact O-CE2 3.27Å; D289-Y338 PolarHBondContact O-OH 2.8Å; D289-Y338 PolarHBondContact OD1-OH 3.43Å; D289-Y338 PolarHBondContact OD2-OH 2.84Å; D289-S340 WeakPolarHBondContact OD2-CA 3.05Å; D289-S340 WeakPolarHBondContact OD2-CB 3.27Å; D289-Y341 HydrophobicContact CB-CD2 3.66Å; D289-Y341 HydrophobicContact CB-CE2 3.62Å; D289-Y341 HydrophobicContact CB-CG 4.34Å; D289-Y341 PolarHBondContact OD1-N 3.37Å; D289-Y341 PolarHBondContact OD2-N 3.18Å
290L97.2Very high96.9Very high4 Ų427.5 Ų27.52%0.02115%0.145CC..  trans-71153.9171.4-80.5174.4000110.9Y112 Q249 V255 T259 M287 P288 V293 T321Y112-L290 HydrophobicContact CD1-CD2 3.53Å; Y112-L290 HydrophobicContact CE1-CD2 3.77Å; Y112-L290 HydrophobicContact CG-CD2 4.35Å; Q249-L290 HydrophobicContact CB-CD1 4.23Å; V255-L290 HydrophobicContact CG1-CB 4.15Å; V255-L290 HydrophobicContact CG1-CD1 3.87Å; T259-L290 HydrophobicContact CG2-CD2 4.31Å; M287-L290 HydrophobicContact CB-CD1 3.89Å; M287-L290 HydrophobicContact CB-CD2 4.23Å; M287-L290 HydrophobicContact CB-CG 3.84Å; M287-L290 HydrophobicContact CE-CD2 3.95Å; M287-L290 HydrophobicContact SD-CD2 4.47Å; P288-L290 VanDerWaalsContact C-N 3.3Å; P288-L290 PolarHBondContact O-N 3.07Å; L290-V293 HydrophobicContact CB-CG2 3.76Å; L290-V293 WeakPolarHBondContact O-CG2 3.44Å; L290-V293 PolarHBondContact O-N 3Å; L290-T321 HydrophobicContact CD2-CG2 4.32Å; L290-T321 WeakPolarHBondContact CD2-OG1 3.34Å; L290-T321 PolarHBondContact N-OG1 2.75Å
291P95.6Very high96.9Very high12 Ų1227.5 Ų27.58%0.07815%0.145CC..THydrogen-bonded Turntrans-53143.8173.1-25.133.9000112.5V293 L329 L332 Y338P291-V293 PolarHBondContact O-N 2.97Å; P291-V293 VanDerWaalsContact O-N 3.16Å; P291-L329 HydrophobicContact CG-CD1 3.42Å; P291-L329 VanDerWaalsContact CG-CD1 3.42Å; P291-L332 HydrophobicContact CG-CD1 4.47Å; P291-Y338 HydrophobicContact CB-CD2 4.07Å; P291-Y338 HydrophobicContact CG-CD2 3.8Å; P291-Y338 HydrophobicContact CG-CE2 4.1Å; P291-Y338 HydrophobicContact CG-CG 4.37Å
292N90.5Very high96.9Very high105 Ų10527 Ų2756%0.56114%0.143SC*.THydrogen-bonded Turntrans6213.3177.7-55.2-22.7000115.9D258 R297D258-N292 PolarHBondContact OD2-ND2 2.87Å; N292-R297 PolarHBondContact O-NH1 3.3Å
293V95.5Very high96.9Very high10 Ų1028.2 Ų28.26%0.06115%0.153CC..THydrogen-bonded Turntrans-90.1-70172.2-172.70000110V255 L290 P291 R297 D298V255-V293 HydrophobicContact CG1-CG2 3.98Å; V255-V293 HydrophobicContact CG2-CG2 3.67Å; L290-V293 HydrophobicContact CB-CG2 3.76Å; L290-V293 WeakPolarHBondContact O-CG2 3.44Å; L290-V293 PolarHBondContact O-N 3Å; P291-V293 PolarHBondContact O-N 2.97Å; P291-V293 VanDerWaalsContact O-N 3.16Å; V293-R297 HydrophobicContact CG1-CB 3.65Å; V293-R297 VanDerWaalsContact O-CB 3.27Å; V293-R297 WeakPolarHBondContact O-CB 3.14Å; V293-R297 VanDerWaalsContact O-CD 3.26Å; V293-R297 WeakPolarHBondContact O-CD 3.06Å; V293-R297 WeakPolarHBondContact O-CG 3.29Å; V293-D298 HydrophobicContact CG1-CB 4.13Å; V293-D298 WeakPolarHBondContact CG1-OD1 3.4Å
294G94.4Very high96.9Very high32 Ų3232 Ų3233%0.3317%0.171SC..  trans75.8166-174.700000113E296 R297 D298 Y341G294-E296 PolarHBondContact O-N 3.46Å; G294-R297 PolarHBondContact O-N 2.92Å; G294-D298 WeakPolarHBondContact O-CB 3.5Å; G294-D298 PolarHBondContact O-N 2.96Å; G294-Y341 WeakPolarHBondContact CA-OH 3.49Å; G294-Y341 PolarHBondContact O-OH 2.97Å
295W96.3Very high96.9Very high69 Ų6932 Ų3226%0.26117%0.171SC..Hα-helixtrans-55.4-50.4-165.3175.2-96.3000114.6D298 L299 Y341 M345 D348 L349W295-D298 WeakPolarHBondContact O-CB 3.44Å; W295-D298 PolarHBondContact O-N 2.91Å; W295-L299 HydrophobicContact CZ2-CD1 4.14Å; W295-L299 PolarHBondContact O-N 2.77Å; W295-L299 VanDerWaalsContact O-N 3.08Å; W295-Y341 PolarHBondContact N-OH 2.61Å; W295-Y341 VanDerWaalsContact N-OH 3.12Å; W295-M345 HydrophobicContact CB-CE 3.67Å; W295-M345 HydrophobicContact CD2-CE 3.66Å; W295-M345 HydrophobicContact CE3-CE 3.24Å; W295-M345 HydrophobicContact CE3-CG 3.66Å; W295-M345 HydrophobicContact CE3-SD 4.3Å; W295-M345 HydrophobicContact CG-CE 3.86Å; W295-M345 HydrophobicContact CH2-CG 4.38Å; W295-M345 HydrophobicContact CZ3-CE 4.01Å; W295-M345 HydrophobicContact CZ3-CG 3.42Å; W295-M345 VanDerWaalsContact CZ3-CG 3.42Å; W295-M345 WeakPolarHBondContact CZ3-O 3.13Å; W295-D348 HydrophobicContact CH2-CB 4.15Å; W295-L349 HydrophobicContact CE3-CB 4.23Å; W295-L349 HydrophobicContact CE3-CD1 4.22Å; W295-L349 HydrophobicContact CH2-CB 4.03Å; W295-L349 HydrophobicContact CZ3-CB 3.56Å; W295-L349 HydrophobicContact CZ3-CD1 4.19Å; W295-L349 HydrophobicContact CZ3-CG 4.36Å
296E97.3Very high96.9Very high159 Ų15932.3 Ų32.374%0.74317%0.172SC*.Hα-helixtrans-67.3-44.8-175.6-65.2179.5176.200111.5G294 D298 L299 A300G294-E296 PolarHBondContact O-N 3.46Å; E296-D298 VanDerWaalsContact C-N 3.25Å; E296-D298 PolarHBondContact O-N 3.36Å; E296-L299 PolarHBondContact O-N 2.72Å; E296-A300 WeakPolarHBondContact O-CB 3.24Å; E296-A300 PolarHBondContact O-N 3.18Å
297R97.3Very high96.9Very high77 Ų7738.4 Ų38.429%0.29120%0.2SC..Hα-helixtrans-65.8-31.2175.3-63.5-174.865.3-178.78.5111.4Y252 D254 N292 V293 G294 A300 Q301Y252-R297 HydrophobicContact CE2-CB 3.89Å; Y252-R297 VanDerWaalsContact CG-NH2 3.34Å; Y252-R297 PolarHBondContact OH-O 3.22Å; D254-R297 VanDerWaalsContact CG-NH2 3.34Å; D254-R297 IonicContact OD1-NH2 2.92Å; D254-R297 PolarHBondContact OD1-NH2 2.98Å; D254-R297 IonicContact OD2-CZ 3.38Å; D254-R297 IonicContact OD2-NH1 2.88Å; D254-R297 PolarHBondContact OD2-NH1 3.31Å; D254-R297 IonicContact OD2-NH2 2.89Å; D254-R297 PolarHBondContact OD2-NH2 3.43Å; N292-R297 PolarHBondContact O-NH1 3.3Å; V293-R297 HydrophobicContact CG1-CB 3.65Å; V293-R297 VanDerWaalsContact O-CB 3.27Å; V293-R297 WeakPolarHBondContact O-CB 3.14Å; V293-R297 VanDerWaalsContact O-CD 3.26Å; V293-R297 WeakPolarHBondContact O-CD 3.06Å; V293-R297 WeakPolarHBondContact O-CG 3.29Å; G294-R297 PolarHBondContact O-N 2.92Å; R297-A300 PolarHBondContact O-N 2.92Å; R297-Q301 WeakPolarHBondContact O-CB 3.41Å; R297-Q301 WeakPolarHBondContact O-CG 3.25Å; R297-Q301 PolarHBondContact O-N 2.67Å
298D97.2Very high96.9Very high0 Ų040.5 Ų40.50%021%0.212CC..Hα-helixtrans-63.6-51.1175.5-103.9-31.9000110.6P288 D289 V293 G294 W295 E296 A300 Q301 F302 Y341 L349P288-D298 WeakPolarHBondContact CA-OD1 3.12Å; D289-D298 WeakPolarHBondContact CA-OD2 3.37Å; D289-D298 PolarHBondContact N-OD1 2.8Å; D289-D298 PolarHBondContact N-OD2 2.9Å; V293-D298 HydrophobicContact CG1-CB 4.13Å; V293-D298 WeakPolarHBondContact CG1-OD1 3.4Å; G294-D298 WeakPolarHBondContact O-CB 3.5Å; G294-D298 PolarHBondContact O-N 2.96Å; W295-D298 WeakPolarHBondContact O-CB 3.44Å; W295-D298 PolarHBondContact O-N 2.91Å; E296-D298 VanDerWaalsContact C-N 3.25Å; E296-D298 PolarHBondContact O-N 3.36Å; D298-A300 VanDerWaalsContact C-N 3.35Å; D298-A300 PolarHBondContact O-N 2.85Å; D298-Q301 WeakPolarHBondContact O-CG 3.21Å; D298-Q301 PolarHBondContact O-N 2.91Å; D298-Q301 PolarHBondContact OD1-NE2 3Å; D298-F302 VanDerWaalsContact O-CD2 3.25Å; D298-F302 WeakPolarHBondContact O-CD2 3.49Å; D298-F302 PolarHBondContact O-N 3.46Å; D298-Y341 WeakPolarHBondContact OD2-CE2 3.43Å; D298-Y341 PolarHBondContact OD2-OH 2.96Å; D298-L349 HydrophobicContact CB-CD1 4.11Å; D298-L349 HydrophobicContact CB-CD2 3.96Å
299L97.3Very high96.9Very high41 Ų4142.9 Ų42.922%0.21523%0.227CC..Hα-helixtrans-61.2-44.8175.5-75.6171.6000111.9W295 E296 Q301 F302 A303 L349 R352W295-L299 HydrophobicContact CZ2-CD1 4.14Å; W295-L299 PolarHBondContact O-N 2.77Å; W295-L299 VanDerWaalsContact O-N 3.08Å; E296-L299 PolarHBondContact O-N 2.72Å; L299-Q301 VanDerWaalsContact C-N 3.35Å; L299-Q301 PolarHBondContact O-N 3.31Å; L299-F302 PolarHBondContact O-N 2.83Å; L299-A303 PolarHBondContact O-N 2.71Å; L299-A303 VanDerWaalsContact O-N 3.08Å; L299-L349 HydrophobicContact CD2-CD1 3.59Å; L299-L349 HydrophobicContact CG-CD1 3.64Å; L299-R352 HydrophobicContact CD2-CB 3.74Å
300A98.1Very high96.9Very high46 Ų4644 Ų4438%0.3824%0.237SC..Hα-helixtrans-61.9-39.2-179.700000112.5E296 R297 D298 F302 A303 E304E296-A300 WeakPolarHBondContact O-CB 3.24Å; E296-A300 PolarHBondContact O-N 3.18Å; R297-A300 PolarHBondContact O-N 2.92Å; D298-A300 VanDerWaalsContact C-N 3.35Å; D298-A300 PolarHBondContact O-N 2.85Å; A300-F302 VanDerWaalsContact C-N 3.32Å; A300-F302 PolarHBondContact O-N 3.08Å; A300-A303 PolarHBondContact O-N 2.73Å; A300-E304 VanDerWaalsContact O-CB 3.3Å; A300-E304 WeakPolarHBondContact O-CB 3.47Å; A300-E304 PolarHBondContact O-N 3.14Å
301Q97.8Very high96.9Very high0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-64.8-35.5177.762.3164-31.400112.9V251 Y252 R297 D298 L299 Y305V251-Q301 HydrophobicContact CG1-CB 4.49Å; V251-Q301 HydrophobicContact CG2-CB 3.53Å; Y252-Q301 HydrophobicContact CD2-CB 4.37Å; Y252-Q301 HydrophobicContact CE2-CB 3.69Å; Y252-Q301 HydrophobicContact CE2-CG 4.41Å; R297-Q301 WeakPolarHBondContact O-CB 3.41Å; R297-Q301 WeakPolarHBondContact O-CG 3.25Å; R297-Q301 PolarHBondContact O-N 2.67Å; D298-Q301 WeakPolarHBondContact O-CG 3.21Å; D298-Q301 PolarHBondContact O-N 2.91Å; D298-Q301 PolarHBondContact OD1-NE2 3Å; L299-Q301 VanDerWaalsContact C-N 3.35Å; L299-Q301 PolarHBondContact O-N 3.31Å; Q301-Y305 WeakPolarHBondContact O-CB 3.25Å; Q301-Y305 PolarHBondContact O-N 3.44Å
302F98.2Very high96.9Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-74.8-37.6178.5-79.2-83.3000111.5M286 P288 D298 L299 A300 Y305 F306 L316 I353M286-F302 HydrophobicContact CB-CE1 3.62Å; M286-F302 HydrophobicContact CB-CZ 3.7Å; M286-F302 HydrophobicContact CG-CE1 4.16Å; P288-F302 HydrophobicContact CB-CE2 4.02Å; P288-F302 HydrophobicContact CB-CZ 4.41Å; P288-F302 HydrophobicContact CG-CZ 4.45Å; D298-F302 VanDerWaalsContact O-CD2 3.25Å; D298-F302 WeakPolarHBondContact O-CD2 3.49Å; D298-F302 PolarHBondContact O-N 3.46Å; L299-F302 PolarHBondContact O-N 2.83Å; A300-F302 VanDerWaalsContact C-N 3.32Å; A300-F302 PolarHBondContact O-N 3.08Å; F302-Y305 PolarHBondContact O-N 2.97Å; F302-F306 HydrophobicContact CB-CE2 4.27Å; F302-F306 HydrophobicContact CD1-CE2 4.26Å; F302-F306 HydrophobicContact CD1-CZ 4.39Å; F302-F306 WeakPolarHBondContact O-CD2 3.35Å; F302-F306 WeakPolarHBondContact O-CG 3.29Å; F302-F306 PolarHBondContact O-N 2.92Å; F302-F306 VanDerWaalsContact O-N 3.08Å; F302-L316 HydrophobicContact CD1-CD2 4.41Å; F302-L316 HydrophobicContact CE1-CD2 4.14Å; F302-I353 HydrophobicContact CB-CG1 4.01Å; F302-I353 HydrophobicContact CB-CG2 4.13Å; F302-I353 HydrophobicContact CD1-CD1 4.31Å; F302-I353 HydrophobicContact CD1-CG1 4.31Å; F302-I353 HydrophobicContact CD1-CG2 3.46Å; F302-I353 VanDerWaalsContact CD1-CG2 3.46Å; F302-I353 HydrophobicContact CD2-CD1 3.33Å; F302-I353 HydrophobicContact CD2-CG1 3.67Å; F302-I353 HydrophobicContact CD2-CG2 4.35Å; F302-I353 HydrophobicContact CE1-CD1 4.33Å; F302-I353 HydrophobicContact CE1-CG2 3.91Å; F302-I353 HydrophobicContact CE2-CD1 3.42Å; F302-I353 VanDerWaalsContact CE2-CD1 3.42Å; F302-I353 HydrophobicContact CE2-CG1 4.25Å; F302-I353 HydrophobicContact CG-CB 4.37Å; F302-I353 HydrophobicContact CG-CD1 3.84Å; F302-I353 HydrophobicContact CG-CG1 3.73Å; F302-I353 HydrophobicContact CG-CG2 3.72Å; F302-I353 HydrophobicContact CZ-CD1 3.93Å
303A98.1Very high97.2Very high25 Ų2541.2 Ų41.221%0.20722%0.218CC..Hα-helixtrans-58.5-53.5170.700000110.7L299 A300 Y305 F306 E307 L356L299-A303 PolarHBondContact O-N 2.71Å; L299-A303 VanDerWaalsContact O-N 3.08Å; A300-A303 PolarHBondContact O-N 2.73Å; A303-Y305 VanDerWaalsContact C-N 3.3Å; A303-Y305 PolarHBondContact O-N 2.78Å; A303-F306 PolarHBondContact O-N 3.11Å; A303-F306 VanDerWaalsContact O-N 3.14Å; A303-E307 WeakPolarHBondContact O-CB 3.19Å; A303-E307 WeakPolarHBondContact O-CG 3.19Å; A303-E307 PolarHBondContact O-N 3.22Å; A303-L356 HydrophobicContact CB-CD1 4.39Å
304E98.1Very high97.4Very high80 Ų8040.8 Ų40.837%0.37422%0.215SC..Hα-helixtrans-54.6-45.6175.5178.365.6-168.300111.7V251 A300 F306 E307 N308 F311V251-E304 HydrophobicContact CG2-CB 4.49Å; V251-E304 HydrophobicContact CG2-CG 4.23Å; A300-E304 VanDerWaalsContact O-CB 3.3Å; A300-E304 WeakPolarHBondContact O-CB 3.47Å; A300-E304 PolarHBondContact O-N 3.14Å; E304-F306 VanDerWaalsContact C-N 3.31Å; E304-F306 PolarHBondContact O-N 3.02Å; E304-E307 PolarHBondContact O-N 3.48Å; E304-N308 HydrophobicContact CG-CB 4.45Å; E304-N308 WeakPolarHBondContact O-CB 3.37Å; E304-N308 PolarHBondContact O-N 3Å; E304-N308 WeakPolarHBondContact OE1-CB 3.35Å; E304-N308 PolarHBondContact OE1-ND2 3.29Å; E304-F311 HydrophobicContact CG-CE2 4.44Å
305Y98.2Very high97.5Very high0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-59.6-38.5-179.9-176.9-92.6000113.3V251 S284 M286 Q301 F302 A303 F311 R312 S313 L316V251-Y305 HydrophobicContact CG1-CD2 3.96Å; S284-Y305 WeakPolarHBondContact CB-OH 3.35Å; S284-Y305 PolarHBondContact OG-OH 3.04Å; M286-Y305 HydrophobicContact CE-CD2 4.08Å; M286-Y305 HydrophobicContact CE-CG 4.35Å; M286-Y305 HydrophobicContact CG-CD2 4.25Å; M286-Y305 HydrophobicContact CG-CE2 4.2Å; M286-Y305 HydrophobicContact SD-CD2 3.83Å; M286-Y305 HydrophobicContact SD-CE2 3.98Å; M286-Y305 HydrophobicContact SD-CG 4.49Å; Q301-Y305 WeakPolarHBondContact O-CB 3.25Å; Q301-Y305 PolarHBondContact O-N 3.44Å; F302-Y305 PolarHBondContact O-N 2.97Å; A303-Y305 VanDerWaalsContact C-N 3.3Å; A303-Y305 PolarHBondContact O-N 2.78Å; Y305-F311 HydrophobicContact CD2-CB 3.85Å; Y305-F311 HydrophobicContact CD2-CD1 4.26Å; Y305-F311 HydrophobicContact CD2-CG 4.04Å; Y305-F311 HydrophobicContact CE2-CB 3.91Å; Y305-F311 HydrophobicContact CE2-CD1 4.31Å; Y305-F311 HydrophobicContact CE2-CG 4.33Å; Y305-F311 HydrophobicContact CG-CB 4.41Å; Y305-F311 WeakPolarHBondContact O-CB 3.39Å; Y305-R312 PolarHBondContact O-N 2.71Å; Y305-S313 WeakPolarHBondContact CE1-OG 3.21Å; Y305-S313 WeakPolarHBondContact OH-CB 3.32Å; Y305-S313 PolarHBondContact OH-OG 2.82Å; Y305-L316 HydrophobicContact CE1-CD1 4.28Å; Y305-L316 HydrophobicContact CE1-CD2 4.48Å
306F97.5Very high97.6Very high9 Ų936 Ų364%0.03919%0.186CC..Hα-helixtrans-85.1-32179.4-64.4-50000113F302 A303 E304 R312 L316 I353 L356 V357 P358 T361F302-F306 HydrophobicContact CB-CE2 4.27Å; F302-F306 HydrophobicContact CD1-CE2 4.26Å; F302-F306 HydrophobicContact CD1-CZ 4.39Å; F302-F306 WeakPolarHBondContact O-CD2 3.35Å; F302-F306 WeakPolarHBondContact O-CG 3.29Å; F302-F306 PolarHBondContact O-N 2.92Å; F302-F306 VanDerWaalsContact O-N 3.08Å; A303-F306 PolarHBondContact O-N 3.11Å; A303-F306 VanDerWaalsContact O-N 3.14Å; E304-F306 VanDerWaalsContact C-N 3.31Å; E304-F306 PolarHBondContact O-N 3.02Å; F306-R312 VanDerWaalsContact O-CG 3.27Å; F306-R312 WeakPolarHBondContact O-CG 3.31Å; F306-R312 PolarHBondContact O-NE 2.6Å; F306-L316 HydrophobicContact CE1-CD2 3.9Å; F306-L316 HydrophobicContact CZ-CD2 3.63Å; F306-I353 HydrophobicContact CE2-CG2 4.29Å; F306-L356 HydrophobicContact CD2-CB 4.02Å; F306-L356 HydrophobicContact CE2-CB 4.28Å; F306-V357 HydrophobicContact CE2-CG2 4.1Å; F306-V357 HydrophobicContact CZ-CG2 3.78Å; F306-P358 HydrophobicContact CB-CG 4.06Å; F306-P358 HydrophobicContact CD1-CG 4.32Å; F306-P358 HydrophobicContact CG-CG 4.34Å; F306-T361 HydrophobicContact CE1-CG2 4.32Å
307E96.8Very high97.6Very high127 Ų12729.1 Ų29.159%0.59315%0.154SC*.Hα-helixtrans-88.6-37.9-174.6-69.4178.5-173.600112.9A303 E304 P309 R312A303-E307 WeakPolarHBondContact O-CB 3.19Å; A303-E307 WeakPolarHBondContact O-CG 3.19Å; A303-E307 PolarHBondContact O-N 3.22Å; E304-E307 PolarHBondContact O-N 3.48Å; E307-P309 WeakPolarHBondContact O-CD 3.26Å; E307-R312 PolarHBondContact O-NE 3.13Å; E307-R312 PolarHBondContact O-NH2 3.3Å
308N97.9Very high97.7Very high50 Ų5025.5 Ų25.527%0.26714%0.141SC..SBendtrans-74.4122.3-176-177.2-19.3000111.4E304 A310 F311E304-N308 HydrophobicContact CG-CB 4.45Å; E304-N308 WeakPolarHBondContact O-CB 3.37Å; E304-N308 PolarHBondContact O-N 3Å; E304-N308 WeakPolarHBondContact OE1-CB 3.35Å; E304-N308 PolarHBondContact OE1-ND2 3.29Å; N308-A310 PolarHBondContact O-N 3.04Å; N308-A310 VanDerWaalsContact OD1-CB 3.27Å; N308-A310 WeakPolarHBondContact OD1-CB 3.34Å; N308-A310 PolarHBondContact OD1-N 3.06Å; N308-F311 HydrophobicContact CB-CD2 4.05Å; N308-F311 PolarHBondContact O-N 3.48Å
309P97.4Very high97.7Very high50 Ų5026.2 Ų26.233%0.32514%0.143SC..THydrogen-bonded Turntrans-55.2-21.6177.2-26.335.6000115.3E307 F311 V429 A430 N431E307-P309 WeakPolarHBondContact O-CD 3.26Å; P309-F311 PolarHBondContact O-N 3.12Å; P309-V429 HydrophobicContact CB-CG1 4.3Å; P309-A430 CarbonylContact O-C 3.4Å; P309-A430 WeakPolarHBondContact O-CA 3.36Å; P309-N431 PolarHBondContact O-N 3.38Å
310A97.2Very high97.6Very high29 Ų2924.4 Ų24.424%0.2413%0.134CC..THydrogen-bonded Turntrans-68.8-19.7177.200000113.7C269 N308 N431C269-A310 HydrophobicContact CB-CB 4.27Å; N308-A310 PolarHBondContact O-N 3.04Å; N308-A310 VanDerWaalsContact OD1-CB 3.27Å; N308-A310 WeakPolarHBondContact OD1-CB 3.34Å; N308-A310 PolarHBondContact OD1-N 3.06Å; A310-N431 PolarHBondContact O-ND2 3.39Å
311F97.2Very high97.6Very high9 Ų922.2 Ų22.24%0.03912%0.116CC..THydrogen-bonded Turntrans-109.2-81.5179.4-59.3-71.4000111.4V251 V265 C269 F272 K276 E304 Y305 N308 P309 S313 N431V251-F311 HydrophobicContact CB-CE2 4.2Å; V251-F311 HydrophobicContact CB-CZ 3.98Å; V251-F311 HydrophobicContact CG1-CD2 4.44Å; V251-F311 HydrophobicContact CG1-CE1 4.37Å; V251-F311 HydrophobicContact CG1-CE2 4.13Å; V251-F311 HydrophobicContact CG1-CZ 4.08Å; V265-F311 HydrophobicContact CG1-CE1 3.61Å; V265-F311 HydrophobicContact CG1-CZ 3.53Å; C269-F311 WeakPolarHBondContact SG-CE1 3.38Å; F272-F311 WeakPolarHBondContact CD2-O 3.33Å; K276-F311 PolarHBondContact NZ-O 3.33Å; E304-F311 HydrophobicContact CG-CE2 4.44Å; Y305-F311 HydrophobicContact CD2-CB 3.85Å; Y305-F311 HydrophobicContact CD2-CD1 4.26Å; Y305-F311 HydrophobicContact CD2-CG 4.04Å; Y305-F311 HydrophobicContact CE2-CB 3.91Å; Y305-F311 HydrophobicContact CE2-CD1 4.31Å; Y305-F311 HydrophobicContact CE2-CG 4.33Å; Y305-F311 HydrophobicContact CG-CB 4.41Å; Y305-F311 WeakPolarHBondContact O-CB 3.39Å; N308-F311 HydrophobicContact CB-CD2 4.05Å; N308-F311 PolarHBondContact O-N 3.48Å; P309-F311 PolarHBondContact O-N 3.12Å; F311-S313 VanDerWaalsContact C-N 3.29Å; F311-S313 PolarHBondContact O-N 2.63Å; F311-N431 PolarHBondContact O-OD1 3.41Å
312R96.5Very high97.5Very high52 Ų5222.7 Ų22.720%0.19612%0.119CC..  trans29.158.3176.1-75.8-176.2-175.4178.1-3.1114.4K276 Y305 F306 E307 V429 A430K276-R312 PolarHBondContact NZ-O 2.85Å; Y305-R312 PolarHBondContact O-N 2.71Å; F306-R312 VanDerWaalsContact O-CG 3.27Å; F306-R312 WeakPolarHBondContact O-CG 3.31Å; F306-R312 PolarHBondContact O-NE 2.6Å; E307-R312 PolarHBondContact O-NE 3.13Å; E307-R312 PolarHBondContact O-NH2 3.3Å; R312-V429 WeakPolarHBondContact CD-O 3.23Å; R312-V429 PolarHBondContact NH1-O 3.06Å; R312-A430 HydrophobicContact CB-CB 4.02Å
313S97.3Very high97.4Very high1 Ų122.7 Ų22.71%0.00712%0.119CC..  trans-66.6156.3177.958.80000111.9Y305 F311 G315Y305-S313 WeakPolarHBondContact CE1-OG 3.21Å; Y305-S313 WeakPolarHBondContact OH-CB 3.32Å; Y305-S313 PolarHBondContact OH-OG 2.82Å; F311-S313 VanDerWaalsContact C-N 3.29Å; F311-S313 PolarHBondContact O-N 2.63Å; S313-G315 VanDerWaalsContact C-N 3.27Å; S313-G315 WeakPolarHBondContact CB-O 3.43Å; S313-G315 PolarHBondContact O-N 2.77Å; S313-G315 PolarHBondContact OG-O 3.04Å
314D98.2Very high97.2Very high0 Ų021.7 Ų21.70%011%0.11CC..SBendtrans-73.1-22.3176.7-49.9-76.9000113.1K281 V282 R362 R453 R490K281-D314 HydrophobicContact CD-CB 4.19Å; K281-D314 HydrophobicContact CG-CB 3.54Å; V282-D314 PolarHBondContact N-OD2 3.17Å; V282-D314 PolarHBondContact O-N 2.73Å; D314-R362 PolarHBondContact O-N 3.07Å; D314-R453 PolarHBondContact O-NH2 2.73Å; D314-R453 WeakPolarHBondContact OD1-CD 3.46Å; D314-R453 IonicContact OD1-CZ 2.71Å; D314-R453 IonicContact OD1-NE 2.8Å; D314-R453 IonicContact OD1-NH1 2.77Å; D314-R453 PolarHBondContact OD1-NH1 3.46Å; D314-R490 VanDerWaalsContact CG-NH2 3.28Å; D314-R490 IonicContact OD1-CZ 3.17Å; D314-R490 IonicContact OD1-NH1 3.14Å; D314-R490 PolarHBondContact OD1-NH1 3.37Å; D314-R490 IonicContact OD1-NH2 3.15Å; D314-R490 PolarHBondContact OD1-NH2 3.1Å; D314-R490 IonicContact OD2-CZ 3.81Å; D314-R490 IonicContact OD2-NH1 3.64Å; D314-R490 IonicContact OD2-NH2 2.73Å; D314-R490 PolarHBondContact OD2-NH2 3.02Å
315G97.9Very high97Very high0 Ų026.2 Ų26.20%012%0.123CC..EExtended strand (participates in β ladder)trans-156.7165.6172.400000113.3V282 V283 S284 S313 R362V282-G315 PolarHBondContact O-N 3.35Å; V283-G315 CarbonylContact C-O 3.58Å; V283-G315 VanDerWaalsContact CA-O 3.25Å; V283-G315 WeakPolarHBondContact CA-O 3.46Å; S284-G315 PolarHBondContact N-O 3.47Å; S313-G315 VanDerWaalsContact C-N 3.27Å; S313-G315 WeakPolarHBondContact CB-O 3.43Å; S313-G315 PolarHBondContact O-N 2.77Å; S313-G315 PolarHBondContact OG-O 3.04Å; G315-R362 CarbonylContact C-O 3.54Å; G315-R362 WeakPolarHBondContact CA-O 3.09Å
316L98.3Very high96.6Very high0 Ų028.6 Ų28.60%015%0.148CC..EExtended strand (participates in β ladder)trans-139.8143.3-172.3177.864.9000110.9S284 M286 F302 Y305 F306 I318 R362 I363 Y364S284-L316 CarbonylContact O-C 3.54Å; S284-L316 WeakPolarHBondContact O-CA 3.39Å; S284-L316 WeakPolarHBondContact OG-CD1 3.19Å; M286-L316 HydrophobicContact CB-CD1 3.78Å; M286-L316 HydrophobicContact CG-CD1 3.46Å; M286-L316 VanDerWaalsContact CG-CD1 3.46Å; F302-L316 HydrophobicContact CD1-CD2 4.41Å; F302-L316 HydrophobicContact CE1-CD2 4.14Å; Y305-L316 HydrophobicContact CE1-CD1 4.28Å; Y305-L316 HydrophobicContact CE1-CD2 4.48Å; F306-L316 HydrophobicContact CE1-CD2 3.9Å; F306-L316 HydrophobicContact CZ-CD2 3.63Å; L316-I318 HydrophobicContact CD2-CD1 4.22Å; L316-I318 HydrophobicContact CD2-CG1 3.78Å; L316-I318 HydrophobicContact CG-CG1 3.94Å; L316-R362 PolarHBondContact N-O 2.91Å; L316-I363 HydrophobicContact CB-CD1 3.76Å; L316-I363 HydrophobicContact CD2-CD1 3.99Å; L316-I363 HydrophobicContact CG-CD1 4.23Å; L316-I363 CarbonylContact O-C 3.54Å; L316-I363 WeakPolarHBondContact O-CA 3.19Å; L316-Y364 PolarHBondContact O-N 3.14Å
317K98Very high96.5Very high16 Ų1628.5 Ų28.57%0.0715%0.149CC..EExtended strand (participates in β ladder)trans-114117.7165.3-69.9169.2154.4-164.90107.6E245 V283 S284 H285 M286 Y319 R365E245-K317 WeakPolarHBondContact OE1-CE 3.21Å; E245-K317 IonicContact OE1-NZ 2.65Å; E245-K317 PolarHBondContact OE1-NZ 2.9Å; E245-K317 WeakPolarHBondContact OE2-CE 3.34Å; E245-K317 IonicContact OE2-NZ 2.77Å; E245-K317 PolarHBondContact OE2-NZ 3.47Å; V283-K317 HydrophobicContact CG1-CD 4.35Å; V283-K317 HydrophobicContact CG1-CG 4.28Å; S284-K317 PolarHBondContact O-N 2.67Å; H285-K317 WeakPolarHBondContact CA-O 3.45Å; H285-K317 VanDerWaalsContact CD2-CD 3.49Å; H285-K317 WeakPolarHBondContact CD2-CD 3.37Å; H285-K317 WeakPolarHBondContact NE2-CD 3.26Å; M286-K317 PolarHBondContact N-O 2.61Å; K317-Y319 HydrophobicContact CB-CD2 4.34Å; K317-Y319 HydrophobicContact CB-CE1 4.06Å; K317-Y319 HydrophobicContact CB-CE2 3.8Å; K317-Y319 HydrophobicContact CD-CE2 4.2Å; K317-Y319 VanDerWaalsContact CD-OH 3.29Å; K317-Y319 WeakPolarHBondContact CD-OH 2.9Å; K317-R365 CarbonylContact C-O 3.5Å; K317-R365 WeakPolarHBondContact CA-O 3.27Å; K317-R365 HydrophobicContact CB-CB 4.43Å; K317-R365 HydrophobicContact CG-CB 3.99Å
318I98Very high96.3Very high0 Ų024.1 Ų24.10%014%0.137CC..EExtended strand (participates in β ladder)trans-93.9111.7178.8-55.4174.6000107.1P288 L316 P320 I353 L354 I363 R365 I366 Q367P288-I318 HydrophobicContact CG-CG2 4Å; L316-I318 HydrophobicContact CD2-CD1 4.22Å; L316-I318 HydrophobicContact CD2-CG1 3.78Å; L316-I318 HydrophobicContact CG-CG1 3.94Å; I318-P320 WeakPolarHBondContact O-CD 3.31Å; I318-I353 HydrophobicContact CD1-CG2 3.89Å; I318-L354 HydrophobicContact CD1-CD2 3.99Å; I318-I363 HydrophobicContact CD1-CD1 4.41Å; I318-I363 HydrophobicContact CD1-CG2 4.34Å; I318-R365 PolarHBondContact N-O 2.98Å; I318-I366 CarbonylContact O-C 3.54Å; I318-I366 VanDerWaalsContact O-CA 3.32Å; I318-I366 WeakPolarHBondContact O-CA 3.31Å; I318-Q367 PolarHBondContact O-N 3.12Å
319Y96.6Very high96.3Very high15 Ų1521.8 Ų21.86%0.05913%0.125CC..  trans-118.386.9-177.6-67.2-31.9000109.8H285 M286 M287 K317 T321 R365 R368H285-Y319 HydrophobicContact CB-CD2 4.04Å; H285-Y319 HydrophobicContact CB-CE2 4.23Å; H285-Y319 AromaticContact CG-CE2 3.8Å; H285-Y319 AromaticContact ND1-CE2 3.76Å; M286-Y319 PolarHBondContact O-N 2.95Å; M287-Y319 VanDerWaalsContact CA-O 3.3Å; M287-Y319 WeakPolarHBondContact CA-O 3.39Å; M287-Y319 WeakPolarHBondContact CB-O 3.42Å; M287-Y319 VanDerWaalsContact CG-O 3.28Å; M287-Y319 WeakPolarHBondContact CG-O 3.31Å; K317-Y319 HydrophobicContact CB-CD2 4.34Å; K317-Y319 HydrophobicContact CB-CE1 4.06Å; K317-Y319 HydrophobicContact CB-CE2 3.8Å; K317-Y319 HydrophobicContact CD-CE2 4.2Å; K317-Y319 VanDerWaalsContact CD-OH 3.29Å; K317-Y319 WeakPolarHBondContact CD-OH 2.9Å; Y319-T321 PolarHBondContact O-N 2.87Å; Y319-R365 HydrophobicContact CE1-CB 4.17Å; Y319-R365 HydrophobicContact CE1-CG 4.03Å; Y319-R368 HydrophobicContact CD1-CB 4.5Å; Y319-R368 HydrophobicContact CD1-CG 3.57Å; Y319-R368 HydrophobicContact CD2-CG 4.08Å; Y319-R368 HydrophobicContact CE1-CG 3.93Å; Y319-R368 HydrophobicContact CE2-CG 4.4Å; Y319-R368 HydrophobicContact CG-CG 3.64Å
320P97Very high96.2Very high4 Ų421.6 Ų21.63%0.02612%0.118CC..  trans-49.1140.1173.5-27.737000111.6P288 I318 L322 L346 I350 V379 L384P288-P320 HydrophobicContact CG-CB 4.24Å; P288-P320 HydrophobicContact CG-CG 4.1Å; I318-P320 WeakPolarHBondContact O-CD 3.31Å; P320-L322 WeakPolarHBondContact O-CG 3.15Å; P320-L322 PolarHBondContact O-N 2.92Å; P320-L346 HydrophobicContact CB-CD1 4.03Å; P320-L346 HydrophobicContact CB-CD2 3.78Å; P320-L346 HydrophobicContact CB-CG 4.44Å; P320-L346 HydrophobicContact CG-CD1 4.3Å; P320-L346 HydrophobicContact CG-CD2 4.29Å; P320-I350 HydrophobicContact CG-CD1 3.58Å; P320-V379 HydrophobicContact CB-CG1 4.24Å; P320-L384 HydrophobicContact CG-CD2 3.79Å
321T97Very high96.2Very high0 Ų023.4 Ų23.40%012%0.121CC..  trans-61.6126.5-178.2-62.50000109.8P288 D289 L290 Y319 L329P288-T321 WeakPolarHBondContact O-CB 3.28Å; P288-T321 PolarHBondContact O-N 2.69Å; P288-T321 PolarHBondContact O-OG1 3.5Å; D289-T321 WeakPolarHBondContact O-CB 3.48Å; D289-T321 PolarHBondContact O-OG1 2.82Å; L290-T321 HydrophobicContact CD2-CG2 4.32Å; L290-T321 WeakPolarHBondContact CD2-OG1 3.34Å; L290-T321 PolarHBondContact N-OG1 2.75Å; Y319-T321 PolarHBondContact O-N 2.87Å; T321-L329 HydrophobicContact CG2-CD2 3.35Å
322L95.7Very high96.2Very high9 Ų924.9 Ų24.95%0.04713%0.13CC..  trans-114.4130.3179.7-58-175.5000109.1P320 I324 I370 V375 V379P320-L322 WeakPolarHBondContact O-CG 3.15Å; P320-L322 PolarHBondContact O-N 2.92Å; L322-I324 HydrophobicContact CB-CD1 4.42Å; L322-I324 HydrophobicContact CB-CG1 4.3Å; L322-I370 HydrophobicContact CD1-CB 4.46Å; L322-I370 HydrophobicContact CD1-CD1 4.12Å; L322-V375 HydrophobicContact CB-CG1 4.34Å; L322-V375 HydrophobicContact CD1-CG2 4.03Å; L322-V375 HydrophobicContact CD2-CG1 4.11Å; L322-V379 HydrophobicContact CD2-CB 4.11Å; L322-V379 HydrophobicContact CD2-CG1 3.77Å; L322-V379 HydrophobicContact CD2-CG2 3.45Å; L322-V379 VanDerWaalsContact CD2-CG2 3.45Å
323V96.6Very high96.2Very high0 Ų026.7 Ų26.70%014%0.136CC..EExtended strand (participates in β ladder)trans-83.8116.9173.2-177.20000108.5L329 Y330 W333 Y338 T376 S377V323-L329 HydrophobicContact CG2-CD2 4.15Å; V323-L329 HydrophobicContact CG2-CG 4.35Å; V323-Y330 HydrophobicContact CG1-CD2 3.9Å; V323-Y330 HydrophobicContact CG1-CG 4.47Å; V323-W333 HydrophobicContact CG1-CB 3.83Å; V323-W333 HydrophobicContact CG1-CD2 4.2Å; V323-W333 HydrophobicContact CG1-CG 3.89Å; V323-W333 HydrophobicContact CG2-CB 4.29Å; V323-W333 HydrophobicContact CG2-CG 4.2Å; V323-Y338 HydrophobicContact CG2-CD1 4.12Å; V323-Y338 HydrophobicContact CG2-CE1 3.59Å; V323-T376 WeakPolarHBondContact O-CB 3.43Å; V323-T376 PolarHBondContact O-N 2.65Å; V323-S377 PolarHBondContact N-O 2.98Å
324I94.6Very high96.2Very high4 Ų434 Ų342%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-125132.3-177-57.7167.7000108.5P114 F121 L322 T327 Y330 I370P114-I324 HydrophobicContact CB-CD1 3.99Å; P114-I324 HydrophobicContact CB-CG2 4.28Å; P114-I324 HydrophobicContact CG-CD1 3.8Å; F121-I324 HydrophobicContact CE2-CG2 4.08Å; F121-I324 HydrophobicContact CZ-CG2 3.94Å; L322-I324 HydrophobicContact CB-CD1 4.42Å; L322-I324 HydrophobicContact CB-CG1 4.3Å; I324-T327 HydrophobicContact CB-CG2 4.16Å; I324-T327 WeakPolarHBondContact O-CB 3.44Å; I324-T327 WeakPolarHBondContact O-CG2 3.39Å; I324-T327 PolarHBondContact O-N 3.25Å; I324-T327 PolarHBondContact O-OG1 2.92Å; I324-Y330 VanDerWaalsContact O-CB 3.27Å; I324-Y330 WeakPolarHBondContact O-CB 3.29Å; I324-I370 HydrophobicContact CD1-CD1 3.7Å
325R92.6Very high96.1Very high175 Ų17537.5 Ų37.566%0.6619%0.186SC*.THydrogen-bonded Turntrans-53.7141.6177.4-174.3178175.6177.8-0.6111.3T327 Y330R325-T327 VanDerWaalsContact C-N 3.33Å; R325-Y330 HydrophobicContact CB-CD2 4.32Å; R325-Y330 HydrophobicContact CB-CE2 4.27Å; R325-Y330 HydrophobicContact CG-CE1 4.4Å
326G90.5Very high96Very high51 Ų5140.6 Ų40.653%0.52622%0.217SC..THydrogen-bonded Turntrans85.21.6-179.100000114.5
327T94.6Very high95.9Very high7 Ų749 Ų494%0.04325%0.249CC..SBendtrans-99.7155.817566.40000111.7V111 P114 I324 R325 L329 Y330 E331V111-T327 WeakPolarHBondContact O-CB 3.22Å; P114-T327 HydrophobicContact CB-CG2 4.1Å; I324-T327 HydrophobicContact CB-CG2 4.16Å; I324-T327 WeakPolarHBondContact O-CB 3.44Å; I324-T327 WeakPolarHBondContact O-CG2 3.39Å; I324-T327 PolarHBondContact O-N 3.25Å; I324-T327 PolarHBondContact O-OG1 2.92Å; R325-T327 VanDerWaalsContact C-N 3.33Å; T327-L329 PolarHBondContact O-N 3.34Å; T327-Y330 WeakPolarHBondContact O-CB 3.39Å; T327-Y330 PolarHBondContact O-N 3.28Å; T327-Y330 PolarHBondContact OG1-N 3.2Å; T327-E331 PolarHBondContact O-N 2.81Å
328G94.4Very high95.8Very high35 Ų3548.9 Ų48.936%0.36125%0.248SC..Hα-helixtrans-59.9-31.5173.200000112.8V111 Y330 E331 L332V111-G328 CarbonylContact O-C 3.55Å; V111-G328 WeakPolarHBondContact O-CA 3.18Å; V111-G328 PolarHBondContact O-N 2.86Å; G328-Y330 VanDerWaalsContact C-N 3.32Å; G328-Y330 PolarHBondContact O-N 2.98Å; G328-E331 WeakPolarHBondContact O-CB 3.28Å; G328-E331 PolarHBondContact O-N 3.05Å; G328-E331 VanDerWaalsContact O-N 3.16Å; G328-L332 PolarHBondContact O-N 2.74Å; G328-L332 VanDerWaalsContact O-N 3.08Å
329L96.6Very high95.7Very high0 Ų057.6 Ų57.60%029%0.286CS..Hα-helixtrans-64.8-35.9174.8-174.670.7000111.9V111 P291 T321 V323 T327 E331 L332 W333 Y338V111-L329 WeakPolarHBondContact O-CB 3.03Å; V111-L329 PolarHBondContact O-N 3.38Å; P291-L329 HydrophobicContact CG-CD1 3.42Å; P291-L329 VanDerWaalsContact CG-CD1 3.42Å; T321-L329 HydrophobicContact CG2-CD2 3.35Å; V323-L329 HydrophobicContact CG2-CD2 4.15Å; V323-L329 HydrophobicContact CG2-CG 4.35Å; T327-L329 PolarHBondContact O-N 3.34Å; L329-E331 VanDerWaalsContact C-N 3.27Å; L329-E331 PolarHBondContact O-N 3.31Å; L329-L332 PolarHBondContact O-N 2.84Å; L329-W333 WeakPolarHBondContact O-CB 3.41Å; L329-W333 PolarHBondContact O-N 3.4Å; L329-Y338 HydrophobicContact CD1-CD1 3.71Å; L329-Y338 HydrophobicContact CD1-CD2 4.3Å; L329-Y338 HydrophobicContact CD1-CE1 3.89Å; L329-Y338 HydrophobicContact CD1-CE2 4.47Å; L329-Y338 HydrophobicContact CD1-CG 3.92Å; L329-Y338 HydrophobicContact CD2-CE1 4.32Å; L329-Y338 HydrophobicContact CG-CD1 4.19Å; L329-Y338 HydrophobicContact CG-CE1 4.21Å
330Y96.5Very high95.7Very high46 Ų4657.3 Ų57.318%0.1829%0.287CS..Hα-helixtrans-62.8-35.9172.9179.1-91.6000112V323 I324 R325 T327 G328 W333 R334 T376V323-Y330 HydrophobicContact CG1-CD2 3.9Å; V323-Y330 HydrophobicContact CG1-CG 4.47Å; I324-Y330 VanDerWaalsContact O-CB 3.27Å; I324-Y330 WeakPolarHBondContact O-CB 3.29Å; R325-Y330 HydrophobicContact CB-CD2 4.32Å; R325-Y330 HydrophobicContact CB-CE2 4.27Å; R325-Y330 HydrophobicContact CG-CE1 4.4Å; T327-Y330 WeakPolarHBondContact O-CB 3.39Å; T327-Y330 PolarHBondContact O-N 3.28Å; T327-Y330 PolarHBondContact OG1-N 3.2Å; G328-Y330 VanDerWaalsContact C-N 3.32Å; G328-Y330 PolarHBondContact O-N 2.98Å; Y330-W333 HydrophobicContact CD2-CE3 4.46Å; Y330-W333 HydrophobicContact CE2-CE3 4.32Å; Y330-W333 HydrophobicContact CE2-CZ3 4.34Å; Y330-W333 PolarHBondContact O-N 3.36Å; Y330-R334 WeakPolarHBondContact O-CB 3.35Å; Y330-R334 PolarHBondContact O-N 3.44Å; Y330-T376 HydrophobicContact CD2-CG2 4.43Å; Y330-T376 HydrophobicContact CE2-CG2 4.01Å
331E96.2Very high95.6Very high67 Ų6758.4 Ų58.431%0.31329%0.29SS..Hα-helixtrans-69.2-38.9175.3-65.8-56.1141.400112.7T327 G328 L329 W333 R334 T335T327-E331 PolarHBondContact O-N 2.81Å; G328-E331 WeakPolarHBondContact O-CB 3.28Å; G328-E331 PolarHBondContact O-N 3.05Å; G328-E331 VanDerWaalsContact O-N 3.16Å; L329-E331 VanDerWaalsContact C-N 3.27Å; L329-E331 PolarHBondContact O-N 3.31Å; E331-W333 VanDerWaalsContact C-N 3.34Å; E331-R334 IonicContact OE1-CZ 2.6Å; E331-R334 IonicContact OE1-NE 3.37Å; E331-R334 IonicContact OE1-NH1 2.89Å; E331-R334 IonicContact OE1-NH2 3.06Å; E331-R334 PolarHBondContact OE1-NH2 2.9Å; E331-R334 IonicContact OE2-CZ 3.37Å; E331-R334 IonicContact OE2-NE 3.43Å; E331-R334 PolarHBondContact OE2-NE 2.87Å; E331-R334 IonicContact OE2-NH2 3.84Å; E331-R334 PolarHBondContact OE2-NH2 3.25Å; E331-T335 WeakPolarHBondContact O-CB 3.26Å; E331-T335 WeakPolarHBondContact O-CG2 3.29Å; E331-T335 PolarHBondContact O-N 3.4Å; E331-T335 PolarHBondContact O-OG1 2.97Å
332L96.9Very high95.5Very high41 Ų4162.1 Ų62.122%0.21532%0.315CS..Hα-helixtrans-62.8-42.9172.1-64.2177.5000111.2P291 G328 L329 T335 G336 R337 Y338P291-L332 HydrophobicContact CG-CD1 4.47Å; G328-L332 PolarHBondContact O-N 2.74Å; G328-L332 VanDerWaalsContact O-N 3.08Å; L329-L332 PolarHBondContact O-N 2.84Å; L332-T335 PolarHBondContact O-OG1 2.89Å; L332-G336 PolarHBondContact O-N 2.83Å; L332-R337 HydrophobicContact CB-CB 4.46Å; L332-R337 HydrophobicContact CD2-CB 4.18Å; L332-R337 WeakPolarHBondContact O-CA 3.27Å; L332-R337 PolarHBondContact O-N 2.87Å; L332-Y338 PolarHBondContact O-N 2.84Å; L332-Y338 VanDerWaalsContact O-N 3.07Å
333W97.4Very high95.3Very high89 Ų8964.1 Ų64.134%0.33733%0.328SS..Hα-helixtrans-63.9-49.6177.1-179.284.2000112V323 L329 Y330 E331 T335 G336 Y338 T376V323-W333 HydrophobicContact CG1-CB 3.83Å; V323-W333 HydrophobicContact CG1-CD2 4.2Å; V323-W333 HydrophobicContact CG1-CG 3.89Å; V323-W333 HydrophobicContact CG2-CB 4.29Å; V323-W333 HydrophobicContact CG2-CG 4.2Å; L329-W333 WeakPolarHBondContact O-CB 3.41Å; L329-W333 PolarHBondContact O-N 3.4Å; Y330-W333 HydrophobicContact CD2-CE3 4.46Å; Y330-W333 HydrophobicContact CE2-CE3 4.32Å; Y330-W333 HydrophobicContact CE2-CZ3 4.34Å; Y330-W333 PolarHBondContact O-N 3.36Å; E331-W333 VanDerWaalsContact C-N 3.34Å; W333-T335 VanDerWaalsContact C-N 3.25Å; W333-T335 PolarHBondContact O-N 3.04Å; W333-G336 PolarHBondContact O-N 3.05Å; W333-Y338 WeakPolarHBondContact CA-O 3.39Å; W333-Y338 HydrophobicContact CB-CD1 4.19Å; W333-T376 HydrophobicContact CE3-CG2 4.23Å; W333-T376 HydrophobicContact CH2-CG2 3.74Å; W333-T376 HydrophobicContact CZ2-CG2 4.16Å; W333-T376 HydrophobicContact CZ3-CG2 3.78Å
334R96.7Very high95.2Very high155 Ų15566.6 Ų66.659%0.58535%0.353SS*.Hα-helixtrans-59.9-34.8-179.9-175.8176.872.2161.95.9112.6Y330 E331 G336Y330-R334 WeakPolarHBondContact O-CB 3.35Å; Y330-R334 PolarHBondContact O-N 3.44Å; E331-R334 IonicContact OE1-CZ 2.6Å; E331-R334 IonicContact OE1-NE 3.37Å; E331-R334 IonicContact OE1-NH1 2.89Å; E331-R334 IonicContact OE1-NH2 3.06Å; E331-R334 PolarHBondContact OE1-NH2 2.9Å; E331-R334 IonicContact OE2-CZ 3.37Å; E331-R334 IonicContact OE2-NE 3.43Å; E331-R334 PolarHBondContact OE2-NE 2.87Å; E331-R334 IonicContact OE2-NH2 3.84Å; E331-R334 PolarHBondContact OE2-NH2 3.25Å; R334-G336 VanDerWaalsContact C-N 3.3Å
335T97Very high95.3Very high74 Ų7469.5 Ų69.545%0.45437%0.368SS..THydrogen-bonded Turntrans-86.52.5178.354.30000113.6E331 L332 W333 R337E331-T335 WeakPolarHBondContact O-CB 3.26Å; E331-T335 WeakPolarHBondContact O-CG2 3.29Å; E331-T335 PolarHBondContact O-N 3.4Å; E331-T335 PolarHBondContact O-OG1 2.97Å; L332-T335 PolarHBondContact O-OG1 2.89Å; W333-T335 VanDerWaalsContact C-N 3.25Å; W333-T335 PolarHBondContact O-N 3.04Å; T335-R337 PolarHBondContact O-N 2.92Å; T335-R337 PolarHBondContact OG1-NE 3.07Å; T335-R337 PolarHBondContact OG1-NH2 2.94Å
336G95.3Very high95.5Very high65 Ų6561.3 Ų61.367%0.6734%0.337SS*.THydrogen-bonded Turntrans73.26.1-178.500000114.6L332 W333 R334 Y338L332-G336 PolarHBondContact O-N 2.83Å; W333-G336 PolarHBondContact O-N 3.05Å; R334-G336 VanDerWaalsContact C-N 3.3Å; G336-Y338 VanDerWaalsContact C-N 3.31Å
337R95Very high95.8Very high175 Ų17560.3 Ų60.366%0.6632%0.319SS*.SBendtrans-77.3-16.5177-70-175.8-71.7175.3-2.1113.2L332 T335L332-R337 HydrophobicContact CB-CB 4.46Å; L332-R337 HydrophobicContact CD2-CB 4.18Å; L332-R337 WeakPolarHBondContact O-CA 3.27Å; L332-R337 PolarHBondContact O-N 2.87Å; T335-R337 PolarHBondContact O-N 2.92Å; T335-R337 PolarHBondContact OG1-NE 3.07Å; T335-R337 PolarHBondContact OG1-NH2 2.94Å
338Y96.8Very high95.9Very high15 Ų1560.9 Ų60.96%0.05932%0.322CS..  trans-133.9137.7172.4171.2-103.8000110D289 P291 V323 L329 L332 W333 G336 S340D289-Y338 WeakPolarHBondContact O-CE2 3.27Å; D289-Y338 PolarHBondContact O-OH 2.8Å; D289-Y338 PolarHBondContact OD1-OH 3.43Å; D289-Y338 PolarHBondContact OD2-OH 2.84Å; P291-Y338 HydrophobicContact CB-CD2 4.07Å; P291-Y338 HydrophobicContact CG-CD2 3.8Å; P291-Y338 HydrophobicContact CG-CE2 4.1Å; P291-Y338 HydrophobicContact CG-CG 4.37Å; V323-Y338 HydrophobicContact CG2-CD1 4.12Å; V323-Y338 HydrophobicContact CG2-CE1 3.59Å; L329-Y338 HydrophobicContact CD1-CD1 3.71Å; L329-Y338 HydrophobicContact CD1-CD2 4.3Å; L329-Y338 HydrophobicContact CD1-CE1 3.89Å; L329-Y338 HydrophobicContact CD1-CE2 4.47Å; L329-Y338 HydrophobicContact CD1-CG 3.92Å; L329-Y338 HydrophobicContact CD2-CE1 4.32Å; L329-Y338 HydrophobicContact CG-CD1 4.19Å; L329-Y338 HydrophobicContact CG-CE1 4.21Å; L332-Y338 PolarHBondContact O-N 2.84Å; L332-Y338 VanDerWaalsContact O-N 3.07Å; W333-Y338 WeakPolarHBondContact CA-O 3.39Å; W333-Y338 HydrophobicContact CB-CD1 4.19Å; G336-Y338 VanDerWaalsContact C-N 3.31Å; Y338-S340 VanDerWaalsContact CE1-OG 3.23Å; Y338-S340 WeakPolarHBondContact CE1-OG 3.47Å; Y338-S340 PolarHBondContact OH-OG 3.47Å
339K95.6Very high96Very high182 Ų18259.2 Ų59.279%0.79131%0.305SS*.  trans-135.3115.1177.1-174.4-179.8-179-178.50108.1
340S95.9Very high96Very high10 Ų1059.2 Ų59.27%0.0731%0.305CS..PPolyproline II helixtrans-62.4156.9175.8-600000111.6D289 Y338D289-S340 WeakPolarHBondContact OD2-CA 3.05Å; D289-S340 WeakPolarHBondContact OD2-CB 3.27Å; Y338-S340 VanDerWaalsContact CE1-OG 3.23Å; Y338-S340 WeakPolarHBondContact CE1-OG 3.47Å; Y338-S340 PolarHBondContact OH-OG 3.47Å
341Y96.2Very high96.1Very high26 Ų2657 Ų5710%0.10230%0.296CS..PPolyproline II helixtrans-61.3147.1171.5-63.1-29.3000111.7D289 G294 W295 D298 M345 L346 L349D289-Y341 HydrophobicContact CB-CD2 3.66Å; D289-Y341 HydrophobicContact CB-CE2 3.62Å; D289-Y341 HydrophobicContact CB-CG 4.34Å; D289-Y341 PolarHBondContact OD1-N 3.37Å; D289-Y341 PolarHBondContact OD2-N 3.18Å; G294-Y341 WeakPolarHBondContact CA-OH 3.49Å; G294-Y341 PolarHBondContact O-OH 2.97Å; W295-Y341 PolarHBondContact N-OH 2.61Å; W295-Y341 VanDerWaalsContact N-OH 3.12Å; D298-Y341 WeakPolarHBondContact OD2-CE2 3.43Å; D298-Y341 PolarHBondContact OD2-OH 2.96Å; Y341-M345 HydrophobicContact CD1-CE 4.15Å; Y341-M345 HydrophobicContact CD1-SD 4.06Å; Y341-M345 HydrophobicContact CE1-CE 4.27Å; Y341-M345 HydrophobicContact CG-CG 4.41Å; Y341-M345 HydrophobicContact CG-SD 4.27Å; Y341-L346 HydrophobicContact CD2-CD1 4.36Å; Y341-L349 HydrophobicContact CD2-CD2 4.13Å; Y341-L349 HydrophobicContact CE2-CD2 3.63Å
342P94.8Very high96.1Very high79 Ų7959.1 Ų59.151%0.51330%0.301SS..PPolyproline II helixtrans-54.8142.5162.2-23.234000110.4G344 M345 L346P342-G344 VanDerWaalsContact C-N 3.3Å; P342-G344 PolarHBondContact O-N 3.43Å; P342-M345 HydrophobicContact CB-CB 4.36Å; P342-M345 WeakPolarHBondContact O-CB 3.06Å; P342-M345 PolarHBondContact O-N 3.33Å; P342-L346 PolarHBondContact O-N 2.69Å; P342-L346 VanDerWaalsContact O-N 3.07Å
343P92.2Very high96.1Very high51 Ų5157.2 Ų57.233%0.33129%0.291SS..Hα-helixtrans-53.1-42.2-175.8-29.535.1000114.3M345 L346 I347 E380P343-M345 VanDerWaalsContact C-N 3.34Å; P343-M345 PolarHBondContact O-N 2.78Å; P343-L346 PolarHBondContact O-N 2.62Å; P343-I347 WeakPolarHBondContact O-CG1 3.4Å; P343-I347 PolarHBondContact O-N 3.28Å; P343-E380 HydrophobicContact CB-CB 4.16Å; P343-E380 HydrophobicContact CG-CB 4.04Å
344G94.4Very high96.2Very high51 Ų5153 Ų5353%0.52628%0.275SS..Hα-helixtrans-63.6-36.5177.500000113.6P342 I347 D348P342-G344 VanDerWaalsContact C-N 3.3Å; P342-G344 PolarHBondContact O-N 3.43Å; G344-I347 PolarHBondContact O-N 2.77Å; G344-D348 PolarHBondContact O-N 3.23Å
345M96Very high96.1Very high66 Ų6648 Ų4833%0.32527%0.267SS..Hα-helixtrans-66.7-44175-177.3175-177.800110.4W295 Y341 P342 P343 I347 D348 L349W295-M345 HydrophobicContact CB-CE 3.67Å; W295-M345 HydrophobicContact CD2-CE 3.66Å; W295-M345 HydrophobicContact CE3-CE 3.24Å; W295-M345 HydrophobicContact CE3-CG 3.66Å; W295-M345 HydrophobicContact CE3-SD 4.3Å; W295-M345 HydrophobicContact CG-CE 3.86Å; W295-M345 HydrophobicContact CH2-CG 4.38Å; W295-M345 HydrophobicContact CZ3-CE 4.01Å; W295-M345 HydrophobicContact CZ3-CG 3.42Å; W295-M345 VanDerWaalsContact CZ3-CG 3.42Å; W295-M345 WeakPolarHBondContact CZ3-O 3.13Å; Y341-M345 HydrophobicContact CD1-CE 4.15Å; Y341-M345 HydrophobicContact CD1-SD 4.06Å; Y341-M345 HydrophobicContact CE1-CE 4.27Å; Y341-M345 HydrophobicContact CG-CG 4.41Å; Y341-M345 HydrophobicContact CG-SD 4.27Å; P342-M345 HydrophobicContact CB-CB 4.36Å; P342-M345 WeakPolarHBondContact O-CB 3.06Å; P342-M345 PolarHBondContact O-N 3.33Å; P343-M345 VanDerWaalsContact C-N 3.34Å; P343-M345 PolarHBondContact O-N 2.78Å; M345-I347 VanDerWaalsContact C-N 3.33Å; M345-I347 PolarHBondContact O-N 2.77Å; M345-D348 PolarHBondContact O-N 2.92Å; M345-L349 PolarHBondContact O-N 3.19Å
346L96.2Very high96.1Very high2 Ų248.1 Ų48.11%0.0127%0.265CS..Hα-helixtrans-61.7-39.7176.2179.862.8000112.5P320 Y341 P342 P343 L349 I350 G378 V379P320-L346 HydrophobicContact CB-CD1 4.03Å; P320-L346 HydrophobicContact CB-CD2 3.78Å; P320-L346 HydrophobicContact CB-CG 4.44Å; P320-L346 HydrophobicContact CG-CD1 4.3Å; P320-L346 HydrophobicContact CG-CD2 4.29Å; Y341-L346 HydrophobicContact CD2-CD1 4.36Å; P342-L346 PolarHBondContact O-N 2.69Å; P342-L346 VanDerWaalsContact O-N 3.07Å; P343-L346 PolarHBondContact O-N 2.62Å; L346-L349 HydrophobicContact CD1-CD2 4.45Å; L346-L349 PolarHBondContact O-N 2.95Å; L346-I350 HydrophobicContact CD1-CD1 3.96Å; L346-I350 HydrophobicContact CD1-CG1 4.2Å; L346-I350 HydrophobicContact CG-CD1 3.98Å; L346-I350 VanDerWaalsContact O-CG1 3.3Å; L346-I350 WeakPolarHBondContact O-CG1 3.3Å; L346-I350 PolarHBondContact O-N 3.47Å; L346-G378 VanDerWaalsContact CD2-O 3.25Å; L346-G378 WeakPolarHBondContact CD2-O 3.24Å; L346-V379 HydrophobicContact CD2-CG1 3.68Å
347I96.6Very high96.2Very high31 Ų3145.3 Ų45.316%0.15923%0.234CC..Hα-helixtrans-61.9-46.4175.5-67.7163.4000110.4P343 G344 M345 L349 I350 A351 L384 L387 V388 R391P343-I347 WeakPolarHBondContact O-CG1 3.4Å; P343-I347 PolarHBondContact O-N 3.28Å; G344-I347 PolarHBondContact O-N 2.77Å; M345-I347 VanDerWaalsContact C-N 3.33Å; M345-I347 PolarHBondContact O-N 2.77Å; I347-L349 VanDerWaalsContact C-N 3.34Å; I347-L349 PolarHBondContact O-N 3.36Å; I347-I350 PolarHBondContact O-N 3.05Å; I347-A351 WeakPolarHBondContact O-CB 3.23Å; I347-A351 PolarHBondContact O-N 2.73Å; I347-L384 HydrophobicContact CG1-CD1 3.78Å; I347-L387 HydrophobicContact CD1-CB 4.07Å; I347-L387 HydrophobicContact CD1-CD1 4.03Å; I347-L387 HydrophobicContact CG1-CB 4.4Å; I347-L387 HydrophobicContact CG2-CB 4.49Å; I347-V388 HydrophobicContact CG2-CG2 4.16Å; I347-R391 HydrophobicContact CG2-CB 3.67Å; I347-R391 HydrophobicContact CG2-CG 4Å
348D97Very high96.3Very high18 Ų1837.7 Ų37.710%0.09621%0.208CC..Hα-helixtrans-61.9-41.4177.6-162.179.4000111.8W295 G344 M345 A351 R352 R391W295-D348 HydrophobicContact CH2-CB 4.15Å; G344-D348 PolarHBondContact O-N 3.23Å; M345-D348 PolarHBondContact O-N 2.92Å; D348-A351 PolarHBondContact O-N 2.87Å; D348-R352 WeakPolarHBondContact O-CG 3.49Å; D348-R352 PolarHBondContact O-N 3.14Å; D348-R352 IonicContact OD2-CZ 3.18Å; D348-R352 IonicContact OD2-NE 3.66Å; D348-R352 PolarHBondContact OD2-NE 3.4Å; D348-R352 IonicContact OD2-NH2 2.96Å; D348-R352 PolarHBondContact OD2-NH2 3.27Å; D348-R391 IonicContact OD1-CZ 3.59Å; D348-R391 IonicContact OD1-NE 3.35Å; D348-R391 PolarHBondContact OD1-NE 3.06Å; D348-R391 IonicContact OD1-NH2 2.8Å; D348-R391 PolarHBondContact OD1-NH2 3.22Å
349L97.1Very high96.3Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-58.1-51.9175.6-179.760.8000111.5P288 W295 D298 L299 Y341 M345 L346 I347 A351 R352 I353P288-L349 HydrophobicContact CB-CD2 3.83Å; W295-L349 HydrophobicContact CE3-CB 4.23Å; W295-L349 HydrophobicContact CE3-CD1 4.22Å; W295-L349 HydrophobicContact CH2-CB 4.03Å; W295-L349 HydrophobicContact CZ3-CB 3.56Å; W295-L349 HydrophobicContact CZ3-CD1 4.19Å; W295-L349 HydrophobicContact CZ3-CG 4.36Å; D298-L349 HydrophobicContact CB-CD1 4.11Å; D298-L349 HydrophobicContact CB-CD2 3.96Å; L299-L349 HydrophobicContact CD2-CD1 3.59Å; L299-L349 HydrophobicContact CG-CD1 3.64Å; Y341-L349 HydrophobicContact CD2-CD2 4.13Å; Y341-L349 HydrophobicContact CE2-CD2 3.63Å; M345-L349 PolarHBondContact O-N 3.19Å; L346-L349 HydrophobicContact CD1-CD2 4.45Å; L346-L349 PolarHBondContact O-N 2.95Å; I347-L349 VanDerWaalsContact C-N 3.34Å; I347-L349 PolarHBondContact O-N 3.36Å; L349-A351 VanDerWaalsContact C-N 3.31Å; L349-A351 PolarHBondContact O-N 2.85Å; L349-R352 PolarHBondContact O-N 3.15Å; L349-I353 HydrophobicContact CD1-CD1 4.13Å; L349-I353 HydrophobicContact CD1-CG1 4.47Å; L349-I353 HydrophobicContact CD2-CD1 4.49Å; L349-I353 HydrophobicContact CG-CD1 3.81Å; L349-I353 VanDerWaalsContact O-CG1 3.29Å; L349-I353 WeakPolarHBondContact O-CG1 3.43Å; L349-I353 PolarHBondContact O-N 2.99Å
350I97.3Very high96.3Very high0 Ų031.5 Ų31.50%018%0.182CC..Hα-helixtrans-68-35-177.1-59167000110.5P320 L346 I347 R352 I353 L354 I366 L384 V388P320-I350 HydrophobicContact CG-CD1 3.58Å; L346-I350 HydrophobicContact CD1-CD1 3.96Å; L346-I350 HydrophobicContact CD1-CG1 4.2Å; L346-I350 HydrophobicContact CG-CD1 3.98Å; L346-I350 VanDerWaalsContact O-CG1 3.3Å; L346-I350 WeakPolarHBondContact O-CG1 3.3Å; L346-I350 PolarHBondContact O-N 3.47Å; I347-I350 PolarHBondContact O-N 3.05Å; I350-R352 VanDerWaalsContact C-N 3.33Å; I350-R352 PolarHBondContact O-N 2.96Å; I350-I353 PolarHBondContact O-N 2.96Å; I350-L354 HydrophobicContact CG2-CG 4.32Å; I350-L354 WeakPolarHBondContact O-CB 3.33Å; I350-L354 WeakPolarHBondContact O-CG 3.39Å; I350-L354 PolarHBondContact O-N 2.83Å; I350-I366 HydrophobicContact CD1-CG2 4.46Å; I350-I366 HydrophobicContact CG2-CD1 4.45Å; I350-I366 HydrophobicContact CG2-CG2 4.2Å; I350-L384 HydrophobicContact CD1-CD1 4.33Å; I350-L384 HydrophobicContact CD1-CD2 3.57Å; I350-L384 HydrophobicContact CD1-CG 4.11Å; I350-V388 HydrophobicContact CB-CG1 4.27Å; I350-V388 HydrophobicContact CB-CG2 3.8Å; I350-V388 HydrophobicContact CD1-CG2 4.43Å; I350-V388 HydrophobicContact CG2-CB 4.48Å; I350-V388 HydrophobicContact CG2-CG1 3.91Å; I350-V388 HydrophobicContact CG2-CG2 3.85Å
351A97.3Very high96.4Very high1 Ų131.1 Ų31.11%0.00818%0.179CC..Hα-helixtrans-59.4-44.6173.900000111.4I347 D348 L349 L354 A355 V388 R391 M392 L395I347-A351 WeakPolarHBondContact O-CB 3.23Å; I347-A351 PolarHBondContact O-N 2.73Å; D348-A351 PolarHBondContact O-N 2.87Å; L349-A351 VanDerWaalsContact C-N 3.31Å; L349-A351 PolarHBondContact O-N 2.85Å; A351-L354 PolarHBondContact O-N 2.71Å; A351-A355 PolarHBondContact O-N 2.77Å; A351-A355 VanDerWaalsContact O-N 3.17Å; A351-V388 HydrophobicContact CB-CG1 4.11Å; A351-R391 HydrophobicContact CB-CB 4.26Å; A351-R391 HydrophobicContact CB-CG 3.97Å; A351-M392 HydrophobicContact CB-CG 3.62Å; A351-L395 HydrophobicContact CB-CD1 4.19Å
352R97.2Very high96.5Very high111 Ų11130.6 Ų30.642%0.41918%0.177SC..Hα-helixtrans-64.1-43.7174.1-68.7173.3-171.6-81.1-6.3112.1L299 D348 L349 I350 L354 A355 L356L299-R352 HydrophobicContact CD2-CB 3.74Å; D348-R352 WeakPolarHBondContact O-CG 3.49Å; D348-R352 PolarHBondContact O-N 3.14Å; D348-R352 IonicContact OD2-CZ 3.18Å; D348-R352 IonicContact OD2-NE 3.66Å; D348-R352 PolarHBondContact OD2-NE 3.4Å; D348-R352 IonicContact OD2-NH2 2.96Å; D348-R352 PolarHBondContact OD2-NH2 3.27Å; L349-R352 PolarHBondContact O-N 3.15Å; I350-R352 VanDerWaalsContact C-N 3.33Å; I350-R352 PolarHBondContact O-N 2.96Å; R352-L354 VanDerWaalsContact C-N 3.32Å; R352-L354 PolarHBondContact O-N 2.89Å; R352-A355 WeakPolarHBondContact O-CB 3.46Å; R352-A355 PolarHBondContact O-N 3.45Å; R352-L356 PolarHBondContact O-N 2.55Å
353I97Very high96.6Very high0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-58.9-44.5175.8-68.1163.2000110.8F302 F306 I318 L349 I350 A355 L356 V357F302-I353 HydrophobicContact CB-CG1 4.01Å; F302-I353 HydrophobicContact CB-CG2 4.13Å; F302-I353 HydrophobicContact CD1-CD1 4.31Å; F302-I353 HydrophobicContact CD1-CG1 4.31Å; F302-I353 HydrophobicContact CD1-CG2 3.46Å; F302-I353 VanDerWaalsContact CD1-CG2 3.46Å; F302-I353 HydrophobicContact CD2-CD1 3.33Å; F302-I353 HydrophobicContact CD2-CG1 3.67Å; F302-I353 HydrophobicContact CD2-CG2 4.35Å; F302-I353 HydrophobicContact CE1-CD1 4.33Å; F302-I353 HydrophobicContact CE1-CG2 3.91Å; F302-I353 HydrophobicContact CE2-CD1 3.42Å; F302-I353 VanDerWaalsContact CE2-CD1 3.42Å; F302-I353 HydrophobicContact CE2-CG1 4.25Å; F302-I353 HydrophobicContact CG-CB 4.37Å; F302-I353 HydrophobicContact CG-CD1 3.84Å; F302-I353 HydrophobicContact CG-CG1 3.73Å; F302-I353 HydrophobicContact CG-CG2 3.72Å; F302-I353 HydrophobicContact CZ-CD1 3.93Å; F306-I353 HydrophobicContact CE2-CG2 4.29Å; I318-I353 HydrophobicContact CD1-CG2 3.89Å; L349-I353 HydrophobicContact CD1-CD1 4.13Å; L349-I353 HydrophobicContact CD1-CG1 4.47Å; L349-I353 HydrophobicContact CD2-CD1 4.49Å; L349-I353 HydrophobicContact CG-CD1 3.81Å; L349-I353 VanDerWaalsContact O-CG1 3.29Å; L349-I353 WeakPolarHBondContact O-CG1 3.43Å; L349-I353 PolarHBondContact O-N 2.99Å; I350-I353 PolarHBondContact O-N 2.96Å; I353-A355 VanDerWaalsContact C-N 3.26Å; I353-A355 PolarHBondContact O-N 3.19Å; I353-L356 WeakPolarHBondContact O-CB 3.39Å; I353-L356 PolarHBondContact O-N 3Å; I353-L356 VanDerWaalsContact O-N 3.07Å; I353-V357 WeakPolarHBondContact O-CG2 3.24Å; I353-V357 PolarHBondContact O-N 3.24Å
354L97.6Very high96.7Very high0 Ų026.6 Ų26.60%015%0.145CC..Hα-helixtrans-64.5-29.6179.7-75.1-168.7000113.4I318 I350 A351 R352 L356 V357 I363 I366 V388 M392 C399I318-L354 HydrophobicContact CD1-CD2 3.99Å; I350-L354 HydrophobicContact CG2-CG 4.32Å; I350-L354 WeakPolarHBondContact O-CB 3.33Å; I350-L354 WeakPolarHBondContact O-CG 3.39Å; I350-L354 PolarHBondContact O-N 2.83Å; A351-L354 PolarHBondContact O-N 2.71Å; R352-L354 VanDerWaalsContact C-N 3.32Å; R352-L354 PolarHBondContact O-N 2.89Å; L354-L356 VanDerWaalsContact C-N 3.28Å; L354-V357 HydrophobicContact CD2-CG2 4.25Å; L354-V357 PolarHBondContact O-N 2.87Å; L354-I363 HydrophobicContact CD2-CG1 3.91Å; L354-I363 HydrophobicContact CD2-CG2 4.27Å; L354-I366 HydrophobicContact CD1-CD1 3.78Å; L354-I366 HydrophobicContact CD2-CD1 4.07Å; L354-I366 HydrophobicContact CG-CD1 4.34Å; L354-V388 HydrophobicContact CD1-CG1 3.5Å; L354-V388 VanDerWaalsContact CD1-CG1 3.5Å; L354-V388 HydrophobicContact CG-CG1 4.26Å; L354-M392 HydrophobicContact CB-CE 3.91Å; L354-M392 HydrophobicContact CB-SD 3.51Å; L354-M392 VanDerWaalsContact CB-SD 3.51Å; L354-M392 HydrophobicContact CD1-SD 3.81Å; L354-M392 HydrophobicContact CG-SD 4.32Å; L354-C399 HydrophobicContact CB-CB 4.18Å; L354-C399 PolarHBondContact O-SG 3.08Å; L354-C399 VanDerWaalsContact O-SG 3.41Å
355A96.5Very high96.7Very high50 Ų5028 Ų2841%0.41314%0.135SC..Hα-helixtrans-69.7-25.7173.800000112.7A351 R352 I353 M392 A397A351-A355 PolarHBondContact O-N 2.77Å; A351-A355 VanDerWaalsContact O-N 3.17Å; R352-A355 WeakPolarHBondContact O-CB 3.46Å; R352-A355 PolarHBondContact O-N 3.45Å; I353-A355 VanDerWaalsContact C-N 3.26Å; I353-A355 PolarHBondContact O-N 3.19Å; A355-M392 HydrophobicContact CB-CE 4.08Å; A355-A397 HydrophobicContact CB-CB 4.27Å
356L96.2Very high96.7Very high77 Ų7725.5 Ų25.540%0.40312%0.122SC..THydrogen-bonded Turntrans-82.1-12.9177.1-60.1175.1000113.4A303 F306 R352 I353 L354 P358A303-L356 HydrophobicContact CB-CD1 4.39Å; F306-L356 HydrophobicContact CD2-CB 4.02Å; F306-L356 HydrophobicContact CE2-CB 4.28Å; R352-L356 PolarHBondContact O-N 2.55Å; I353-L356 WeakPolarHBondContact O-CB 3.39Å; I353-L356 PolarHBondContact O-N 3Å; I353-L356 VanDerWaalsContact O-N 3.07Å; L354-L356 VanDerWaalsContact C-N 3.28Å; L356-P358 VanDerWaalsContact O-CD 3.25Å; L356-P358 WeakPolarHBondContact O-CD 3.25Å
357V97.6Very high96.6Very high6 Ų625.8 Ų25.84%0.03612%0.124CC..  trans-66.1121.3-171.7-179.30000110.4F306 I353 L354 T361 I363 D401F306-V357 HydrophobicContact CE2-CG2 4.1Å; F306-V357 HydrophobicContact CZ-CG2 3.78Å; I353-V357 WeakPolarHBondContact O-CG2 3.24Å; I353-V357 PolarHBondContact O-N 3.24Å; L354-V357 HydrophobicContact CD2-CG2 4.25Å; L354-V357 PolarHBondContact O-N 2.87Å; V357-T361 HydrophobicContact CG1-CG2 4.06Å; V357-I363 HydrophobicContact CG1-CD1 3.89Å; V357-I363 HydrophobicContact CG1-CG1 4.03Å; V357-I363 HydrophobicContact CG2-CD1 3.77Å; V357-I363 HydrophobicContact CG2-CG1 3.97Å; V357-D401 HydrophobicContact CB-CB 4.31Å; V357-D401 HydrophobicContact CG1-CB 3.59Å
358P96.9Very high96.3Very high15 Ų1526.2 Ų26.210%0.09712%0.124CC..  trans-64.1149.6177.9-22.533.1000112.3F306 L356 W360 T361F306-P358 HydrophobicContact CB-CG 4.06Å; F306-P358 HydrophobicContact CD1-CG 4.32Å; F306-P358 HydrophobicContact CG-CG 4.34Å; L356-P358 VanDerWaalsContact O-CD 3.25Å; L356-P358 WeakPolarHBondContact O-CD 3.25Å; P358-W360 HydrophobicContact CB-CD2 3.74Å; P358-W360 HydrophobicContact CB-CE3 4.14Å; P358-W360 HydrophobicContact CB-CG 4.33Å; P358-W360 HydrophobicContact CB-CH2 3.89Å; P358-W360 HydrophobicContact CB-CZ2 3.45Å; P358-W360 VanDerWaalsContact CB-CZ2 3.45Å; P358-W360 HydrophobicContact CB-CZ3 4.21Å; P358-W360 HydrophobicContact CG-CZ2 4.05Å; P358-W360 PolarHBondContact O-N 2.88Å; P358-W360 VanDerWaalsContact O-N 3.08Å; P358-T361 WeakPolarHBondContact O-CB 3.39Å; P358-T361 PolarHBondContact O-N 2.67Å
359P96.2Very high95.9Very high20 Ų2028.9 Ų28.913%0.1314%0.138CC..THydrogen-bonded Turntrans-65.6-17.9-174.823.8-33.1000114.8R400 V402 R405P359-R400 VanDerWaalsContact CA-O 3.29Å; P359-R400 WeakPolarHBondContact CA-O 2.99Å; P359-R400 HydrophobicContact CB-CB 4.48Å; P359-V402 WeakPolarHBondContact O-CG2 3.4Å; P359-R405 PolarHBondContact O-NH2 3.03Å
360W96.5Very high95.6Very high47 Ų4729.2 Ų29.218%0.17814%0.139CC..THydrogen-bonded Turntrans-89.21.8173.45883000113.5P358 R426 Y428 F437 R453P358-W360 HydrophobicContact CB-CD2 3.74Å; P358-W360 HydrophobicContact CB-CE3 4.14Å; P358-W360 HydrophobicContact CB-CG 4.33Å; P358-W360 HydrophobicContact CB-CH2 3.89Å; P358-W360 HydrophobicContact CB-CZ2 3.45Å; P358-W360 VanDerWaalsContact CB-CZ2 3.45Å; P358-W360 HydrophobicContact CB-CZ3 4.21Å; P358-W360 HydrophobicContact CG-CZ2 4.05Å; P358-W360 PolarHBondContact O-N 2.88Å; P358-W360 VanDerWaalsContact O-N 3.08Å; W360-R426 HydrophobicContact CE3-CB 4.21Å; W360-Y428 HydrophobicContact CB-CE1 4.31Å; W360-Y428 AromaticContact CD1-CE1 3.71Å; W360-Y428 AromaticContact CD1-CZ 3.61Å; W360-Y428 HydrophobicContact CD2-CD1 4.16Å; W360-Y428 HydrophobicContact CD2-CE1 4.07Å; W360-Y428 HydrophobicContact CG-CD1 4.35Å; W360-Y428 AromaticContact CG-CE1 3.77Å; W360-Y428 HydrophobicContact CG-CE1 3.77Å; W360-Y428 HydrophobicContact CZ2-CD1 4.48Å; W360-Y428 HydrophobicContact CZ2-CG 4.48Å; W360-Y428 AromaticContact NE1-CE1 3.94Å; W360-Y428 AromaticContact NE1-CZ 3.86Å; W360-F437 HydrophobicContact CB-CB 4.2Å; W360-F437 HydrophobicContact CB-CD1 4Å; W360-F437 HydrophobicContact CB-CD2 3.65Å; W360-F437 HydrophobicContact CB-CE1 4.25Å; W360-F437 HydrophobicContact CB-CE2 3.92Å; W360-F437 HydrophobicContact CB-CG 3.69Å; W360-F437 HydrophobicContact CB-CZ 4.21Å; W360-R453 VanDerWaalsContact O-CZ 3.24Å; W360-R453 PolarHBondContact O-NH1 3.32Å; W360-R453 PolarHBondContact O-NH2 3.32Å
361T97.8Very high95.2Very high2 Ų231.3 Ų31.31%0.01215%0.153CC..  trans-105.2136.6179.3-61.20000110.2F306 V357 P358 D401 V402F306-T361 HydrophobicContact CE1-CG2 4.32Å; V357-T361 HydrophobicContact CG1-CG2 4.06Å; P358-T361 WeakPolarHBondContact O-CB 3.39Å; P358-T361 PolarHBondContact O-N 2.67Å; T361-D401 WeakPolarHBondContact O-CA 3.37Å; T361-D401 WeakPolarHBondContact O-CB 3.35Å; T361-V402 PolarHBondContact O-N 3.21Å
362R97.3Very high94.9Very high16 Ų1634 Ų346%0.0617%0.166CC..EExtended strand (participates in β ladder)trans-102.1122.1177.7-174.4173.917980-8.4112.7D314 G315 L316 Y364 V402 R403 E406D314-R362 PolarHBondContact O-N 3.07Å; G315-R362 CarbonylContact C-O 3.54Å; G315-R362 WeakPolarHBondContact CA-O 3.09Å; L316-R362 PolarHBondContact N-O 2.91Å; R362-Y364 HydrophobicContact CB-CD2 4.18Å; R362-Y364 HydrophobicContact CB-CE2 3.79Å; R362-Y364 VanDerWaalsContact CD-CZ 3.46Å; R362-Y364 HydrophobicContact CG-CD2 3.95Å; R362-Y364 HydrophobicContact CG-CE2 3.8Å; R362-Y364 HydrophobicContact CG-CG 4.44Å; R362-Y364 WeakPolarHBondContact O-CD2 3.35Å; R362-Y364 PolarHBondContact O-N 2.7Å; R362-V402 HydrophobicContact CB-CB 3.79Å; R362-V402 HydrophobicContact CB-CG1 4.28Å; R362-V402 HydrophobicContact CB-CG2 4.3Å; R362-V402 HydrophobicContact CG-CB 4.11Å; R362-V402 HydrophobicContact CG-CG1 4.34Å; R362-R403 HydrophobicContact CG-CB 4.34Å; R362-E406 IonicContact CZ-OE1 3.66Å; R362-E406 IonicContact NH1-OE1 3.82Å; R362-E406 PolarHBondContact NH1-OE1 2.88Å; R362-E406 IonicContact NH2-OE1 3.83Å; R362-E406 PolarHBondContact NH2-OE1 2.94Å; R362-E406 IonicContact NH2-OE2 3.74Å
363I97.4Very high94.6Very high0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-85.195.1168.6-52.9-51.8000109.7L316 I318 L354 V357 R365 I366 R385 D401 R403L316-I363 HydrophobicContact CB-CD1 3.76Å; L316-I363 HydrophobicContact CD2-CD1 3.99Å; L316-I363 HydrophobicContact CG-CD1 4.23Å; L316-I363 CarbonylContact O-C 3.54Å; L316-I363 WeakPolarHBondContact O-CA 3.19Å; I318-I363 HydrophobicContact CD1-CD1 4.41Å; I318-I363 HydrophobicContact CD1-CG2 4.34Å; L354-I363 HydrophobicContact CD2-CG1 3.91Å; L354-I363 HydrophobicContact CD2-CG2 4.27Å; V357-I363 HydrophobicContact CG1-CD1 3.89Å; V357-I363 HydrophobicContact CG1-CG1 4.03Å; V357-I363 HydrophobicContact CG2-CD1 3.77Å; V357-I363 HydrophobicContact CG2-CG1 3.97Å; I363-R365 PolarHBondContact O-N 3.31Å; I363-I366 HydrophobicContact CG2-CD1 4.31Å; I363-I366 HydrophobicContact CG2-CG1 3.84Å; I363-R385 PolarHBondContact O-NH2 2.93Å; I363-D401 HydrophobicContact CB-CB 4.42Å; I363-D401 HydrophobicContact CG1-CB 3.82Å; I363-D401 PolarHBondContact N-OD2 2.98Å; I363-R403 VanDerWaalsContact O-CD 3.27Å; I363-R403 WeakPolarHBondContact O-CD 3.15Å
364Y94.7Very high94.3Very high46 Ų4637.2 Ų37.218%0.1820%0.198CC..EExtended strand (participates in β ladder)trans-66-40.5-179.7-79.3-92.8000111.9R243 K281 V283 L316 R362R243-Y364 VanDerWaalsContact CZ-OH 3.29Å; R243-Y364 PolarHBondContact NH1-OH 2.76Å; K281-Y364 VanDerWaalsContact CE-OH 3.31Å; K281-Y364 WeakPolarHBondContact CE-OH 3.26Å; K281-Y364 PolarHBondContact NZ-OH 3.33Å; V283-Y364 HydrophobicContact CB-CE2 4.48Å; V283-Y364 HydrophobicContact CG1-CD2 3.91Å; V283-Y364 HydrophobicContact CG1-CE2 4.26Å; V283-Y364 HydrophobicContact CG2-CD2 3.91Å; V283-Y364 HydrophobicContact CG2-CE2 3.37Å; L316-Y364 PolarHBondContact O-N 3.14Å; R362-Y364 HydrophobicContact CB-CD2 4.18Å; R362-Y364 HydrophobicContact CB-CE2 3.79Å; R362-Y364 VanDerWaalsContact CD-CZ 3.46Å; R362-Y364 HydrophobicContact CG-CD2 3.95Å; R362-Y364 HydrophobicContact CG-CE2 3.8Å; R362-Y364 HydrophobicContact CG-CG 4.44Å; R362-Y364 WeakPolarHBondContact O-CD2 3.35Å; R362-Y364 PolarHBondContact O-N 2.7Å
365R94.4Very high94.1Very high81 Ų8138.2 Ų38.231%0.30620%0.204SC..EExtended strand (participates in β ladder)trans-154.1142.6-171.5-160.7164178.2121.128.8112.2K317 I318 Y319 I363 Q367 D369K317-R365 CarbonylContact C-O 3.5Å; K317-R365 WeakPolarHBondContact CA-O 3.27Å; K317-R365 HydrophobicContact CB-CB 4.43Å; K317-R365 HydrophobicContact CG-CB 3.99Å; I318-R365 PolarHBondContact N-O 2.98Å; Y319-R365 HydrophobicContact CE1-CB 4.17Å; Y319-R365 HydrophobicContact CE1-CG 4.03Å; I363-R365 PolarHBondContact O-N 3.31Å; R365-Q367 WeakPolarHBondContact CG-O 3.35Å; R365-Q367 PolarHBondContact NE-O 3.1Å; R365-D369 IonicContact CZ-OD1 3.19Å; R365-D369 IonicContact CZ-OD2 3.33Å; R365-D369 IonicContact NH1-OD1 2.77Å; R365-D369 IonicContact NH1-OD2 3.7Å; R365-D369 PolarHBondContact NH1-OD2 2.79Å; R365-D369 IonicContact NH2-OD1 3.28Å; R365-D369 PolarHBondContact NH2-OD1 2.96Å; R365-D369 IonicContact NH2-OD2 3.77Å; R365-D369 PolarHBondContact NH2-OD2 2.97Å
366I95.6Very high94Very high12 Ų1238.8 Ų38.86%0.06220%0.203CC..EExtended strand (participates in β ladder)trans-121.4127.3167.6-58.7173.2000104.5I318 I350 L354 I363 L384 R385I318-I366 CarbonylContact O-C 3.54Å; I318-I366 VanDerWaalsContact O-CA 3.32Å; I318-I366 WeakPolarHBondContact O-CA 3.31Å; I350-I366 HydrophobicContact CD1-CG2 4.46Å; I350-I366 HydrophobicContact CG2-CD1 4.45Å; I350-I366 HydrophobicContact CG2-CG2 4.2Å; L354-I366 HydrophobicContact CD1-CD1 3.78Å; L354-I366 HydrophobicContact CD2-CD1 4.07Å; L354-I366 HydrophobicContact CG-CD1 4.34Å; I363-I366 HydrophobicContact CG2-CD1 4.31Å; I363-I366 HydrophobicContact CG2-CG1 3.84Å; I366-L384 HydrophobicContact CG2-CD2 3.99Å; I366-L384 HydrophobicContact CG2-CG 4.07Å; I366-R385 HydrophobicContact CB-CB 4.37Å; I366-R385 HydrophobicContact CD1-CB 4.21Å; I366-R385 HydrophobicContact CD1-CG 4.1Å
367Q93.7Very high93.9Very high8 Ų836.6 Ų36.64%0.03719%0.194CC..SBendtrans71.8140.9-175.7-161.7-178.33.400115.2I318 R365 H381 G382 L384I318-Q367 PolarHBondContact O-N 3.12Å; R365-Q367 WeakPolarHBondContact CG-O 3.35Å; R365-Q367 PolarHBondContact NE-O 3.1Å; Q367-H381 PolarHBondContact NE2-O 3.39Å; Q367-H381 PolarHBondContact OE1-O 3.06Å; Q367-G382 PolarHBondContact OE1-O 3.42Å; Q367-L384 HydrophobicContact CB-CB 4.29Å; Q367-L384 HydrophobicContact CB-CD2 4.13Å; Q367-L384 HydrophobicContact CG-CD2 4.47Å
368R91.4Very high93.6Very high41 Ų4136.6 Ų36.616%0.15520%0.195CC..  trans-74.3157.2172.9-68.3-175.8177.6-101.9-4.5110.9Y319 I370Y319-R368 HydrophobicContact CD1-CB 4.5Å; Y319-R368 HydrophobicContact CD1-CG 3.57Å; Y319-R368 HydrophobicContact CD2-CG 4.08Å; Y319-R368 HydrophobicContact CE1-CG 3.93Å; Y319-R368 HydrophobicContact CE2-CG 4.4Å; Y319-R368 HydrophobicContact CG-CG 3.64Å; R368-I370 HydrophobicContact CB-CD1 3.99Å; R368-I370 HydrophobicContact CB-CG1 4.12Å; R368-I370 PolarHBondContact O-N 2.94Å; R368-I370 VanDerWaalsContact O-N 3.12Å
369D88.4Confident93.3Very high73 Ų7336.7 Ų36.739%0.3920%0.195SC..  trans-79.724.8178.9-101.9-22.9000113.7E132 R365E132-D369 HydrophobicContact CB-CB 4.4Å; E132-D369 HydrophobicContact CG-CB 4.39Å; R365-D369 IonicContact CZ-OD1 3.19Å; R365-D369 IonicContact CZ-OD2 3.33Å; R365-D369 IonicContact NH1-OD1 2.77Å; R365-D369 IonicContact NH1-OD2 3.7Å; R365-D369 PolarHBondContact NH1-OD2 2.79Å; R365-D369 IonicContact NH2-OD1 3.28Å; R365-D369 PolarHBondContact NH2-OD1 2.96Å; R365-D369 IonicContact NH2-OD2 3.77Å; R365-D369 PolarHBondContact NH2-OD2 2.97Å
370I90Very high92.8Very high7 Ų741.8 Ų41.84%0.03622%0.217CC..  trans-75129.4-177-65.9164.8000108.3T129 E132 L322 I324 R368 M372 L374 V375T129-I370 HydrophobicContact CG2-CG1 4.48Å; T129-I370 HydrophobicContact CG2-CG2 4.16Å; E132-I370 HydrophobicContact CG-CG1 4.41Å; L322-I370 HydrophobicContact CD1-CB 4.46Å; L322-I370 HydrophobicContact CD1-CD1 4.12Å; I324-I370 HydrophobicContact CD1-CD1 3.7Å; R368-I370 HydrophobicContact CB-CD1 3.99Å; R368-I370 HydrophobicContact CB-CG1 4.12Å; R368-I370 PolarHBondContact O-N 2.94Å; R368-I370 VanDerWaalsContact O-N 3.12Å; I370-M372 WeakPolarHBondContact O-CE 3.2Å; I370-M372 PolarHBondContact O-N 2.86Å; I370-L374 HydrophobicContact CG2-CB 4.24Å; I370-V375 HydrophobicContact CG2-CG2 3.92Å
371P90.3Very high92.3Very high44 Ų4443.9 Ų43.929%0.28623%0.229SC..  trans-57.3133.1176.1-2634.8000112.5Y131 P373 L374Y131-P371 WeakPolarHBondContact O-CG 3.23Å; P371-P373 VanDerWaalsContact C-N 3.33Å; P371-L374 HydrophobicContact CG-CD1 4.4Å; P371-L374 WeakPolarHBondContact O-CB 3.42Å; P371-L374 PolarHBondContact O-N 2.85Å
372M90.1Very high91.6Very high57 Ų5746.4 Ų46.428%0.28126%0.256SS..G310 helixtrans-55.7-35.4-178.1-60.7-6288.900114.9I370 L374 V375 V379I370-M372 WeakPolarHBondContact O-CE 3.2Å; I370-M372 PolarHBondContact O-N 2.86Å; M372-L374 PolarHBondContact O-N 2.97Å; M372-V375 HydrophobicContact CE-CG2 3.89Å; M372-V375 PolarHBondContact O-N 3.4Å; M372-V379 HydrophobicContact CE-CG2 4.24Å; M372-V379 HydrophobicContact SD-CG2 4.09Å
373P90.4Very high91.2Very high129 Ų12948.8 Ų48.884%0.83827%0.27SS*.G310 helixtrans-61-16.9175.3-26.136.3000115P371P371-P373 VanDerWaalsContact C-N 3.33Å
374L91.3Very high91Very high50 Ų5049.1 Ų49.126%0.26227%0.271SS..G310 helixtrans-93.3-9.3175.9-59.5179.6000113F121 T129 Y131 I370 P371 M372F121-L374 HydrophobicContact CE1-CD1 4.37Å; T129-L374 HydrophobicContact CG2-CD1 4.29Å; Y131-L374 HydrophobicContact CD2-CD1 3.61Å; Y131-L374 HydrophobicContact CE2-CD1 4.45Å; Y131-L374 HydrophobicContact CG-CD1 3.96Å; I370-L374 HydrophobicContact CG2-CB 4.24Å; P371-L374 HydrophobicContact CG-CD1 4.4Å; P371-L374 WeakPolarHBondContact O-CB 3.42Å; P371-L374 PolarHBondContact O-N 2.85Å; M372-L374 PolarHBondContact O-N 2.97Å
375V93.8Very high90.9Very high21 Ų2149.2 Ų49.213%0.12727%0.271CS..EExtended strand (participates in β ladder)trans-93.4114.7-179.1-179.40000108.7L322 I370 M372 S377 V379L322-V375 HydrophobicContact CB-CG1 4.34Å; L322-V375 HydrophobicContact CD1-CG2 4.03Å; L322-V375 HydrophobicContact CD2-CG1 4.11Å; I370-V375 HydrophobicContact CG2-CG2 3.92Å; M372-V375 HydrophobicContact CE-CG2 3.89Å; M372-V375 PolarHBondContact O-N 3.4Å; V375-S377 WeakPolarHBondContact CG1-O 3.43Å; V375-V379 HydrophobicContact CG1-CG2 4.3Å
376T93.8Very high90.8Very high62 Ų6251.5 Ų51.538%0.3829%0.286SS..EExtended strand (participates in β ladder)trans-79.8-38.2178-510000111.7V323 Y330 W333V323-T376 WeakPolarHBondContact O-CB 3.43Å; V323-T376 PolarHBondContact O-N 2.65Å; Y330-T376 HydrophobicContact CD2-CG2 4.43Å; Y330-T376 HydrophobicContact CE2-CG2 4.01Å; W333-T376 HydrophobicContact CE3-CG2 4.23Å; W333-T376 HydrophobicContact CH2-CG2 3.74Å; W333-T376 HydrophobicContact CZ2-CG2 4.16Å; W333-T376 HydrophobicContact CZ3-CG2 3.78Å
377S93.6Very high90.8Very high32 Ų3253.6 Ų53.622%0.22430%0.296CS..EExtended strand (participates in β ladder)trans-158.2163.3-178.5-158.30000111.7V323 V375V323-S377 PolarHBondContact N-O 2.98Å; V375-S377 WeakPolarHBondContact CG1-O 3.43Å
378G91.3Very high90.9Very high5 Ų553.2 Ų53.25%0.05230%0.295CS..SBendtrans117-63.4179.300000113L346L346-G378 VanDerWaalsContact CD2-O 3.25Å; L346-G378 WeakPolarHBondContact CD2-O 3.24Å
379V91.1Very high91Very high17 Ų1754.3 Ų54.310%0.10330%0.303CS..  trans-123.5146178.5-60.80000110.7P320 L322 L346 M372 V375 L384P320-V379 HydrophobicContact CB-CG1 4.24Å; L322-V379 HydrophobicContact CD2-CB 4.11Å; L322-V379 HydrophobicContact CD2-CG1 3.77Å; L322-V379 HydrophobicContact CD2-CG2 3.45Å; L322-V379 VanDerWaalsContact CD2-CG2 3.45Å; L346-V379 HydrophobicContact CD2-CG1 3.68Å; M372-V379 HydrophobicContact CE-CG2 4.24Å; M372-V379 HydrophobicContact SD-CG2 4.09Å; V375-V379 HydrophobicContact CG1-CG2 4.3Å; V379-L384 HydrophobicContact CG1-CD2 4.05Å
380E85.8Confident91.2Very high128 Ų12853 Ų5360%0.59830%0.303SS*.SBendtrans-93.9-37178.9-170.3179.4-165.100112.3P343P343-E380 HydrophobicContact CB-CB 4.16Å; P343-E380 HydrophobicContact CG-CB 4.04Å
381H85.7Confident91.5Very high90 Ų9056.5 Ų56.542%0.41732%0.315SS..  trans-125.3152-173-5894.1000112.4Q367 N383 L387Q367-H381 PolarHBondContact NE2-O 3.39Å; Q367-H381 PolarHBondContact OE1-O 3.06Å; H381-N383 VanDerWaalsContact C-N 3.34Å; H381-N383 VanDerWaalsContact CB-OD1 3.23Å; H381-N383 WeakPolarHBondContact CB-OD1 3.44Å; H381-L387 HydrophobicContact CB-CD1 4.16Å
382G84.5Confident91.8Very high56 Ų5654.6 Ų54.658%0.57730%0.303SS*.THydrogen-bonded Turntrans-79.9-7.7177.200000115.2Q367Q367-G382 PolarHBondContact OE1-O 3.42Å
383N88Confident91.9Very high66 Ų6659.5 Ų59.535%0.35333%0.325SS..THydrogen-bonded Turntrans-102.634.8-17867.8-33.4000112.8H381 R385 E386 L387H381-N383 VanDerWaalsContact C-N 3.34Å; H381-N383 VanDerWaalsContact CB-OD1 3.23Å; H381-N383 WeakPolarHBondContact CB-OD1 3.44Å; N383-R385 PolarHBondContact O-N 3.09Å; N383-E386 HydrophobicContact CB-CB 4.4Å; N383-E386 PolarHBondContact ND2-OE2 2.92Å; N383-E386 WeakPolarHBondContact O-CB 3.46Å; N383-E386 PolarHBondContact O-N 3.22Å; N383-L387 PolarHBondContact O-N 3.12Å
384L92.9Very high92.1Very high7 Ų759.9 Ų59.94%0.03732%0.316CS..Hα-helixtrans-52.7-36.6-172.8-176.659.3000114.5P320 I347 I350 I366 Q367 V379 E386 L387 V388P320-L384 HydrophobicContact CG-CD2 3.79Å; I347-L384 HydrophobicContact CG1-CD1 3.78Å; I350-L384 HydrophobicContact CD1-CD1 4.33Å; I350-L384 HydrophobicContact CD1-CD2 3.57Å; I350-L384 HydrophobicContact CD1-CG 4.11Å; I366-L384 HydrophobicContact CG2-CD2 3.99Å; I366-L384 HydrophobicContact CG2-CG 4.07Å; Q367-L384 HydrophobicContact CB-CB 4.29Å; Q367-L384 HydrophobicContact CB-CD2 4.13Å; Q367-L384 HydrophobicContact CG-CD2 4.47Å; V379-L384 HydrophobicContact CG1-CD2 4.05Å; L384-E386 VanDerWaalsContact C-N 3.29Å; L384-E386 PolarHBondContact O-N 3.4Å; L384-L387 PolarHBondContact O-N 3.06Å; L384-V388 HydrophobicContact CD1-CG2 4Å; L384-V388 HydrophobicContact CG-CG2 4.16Å; L384-V388 WeakPolarHBondContact O-CB 3.3Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 2.68Å
385R93.1Very high92.2Very high48 Ų4860.7 Ų60.718%0.18132%0.32CS..Hα-helixtrans-59.1-41176.8177.3176.7-72.2-93.711.2112.3I363 I366 N383 L389I363-R385 PolarHBondContact O-NH2 2.93Å; I366-R385 HydrophobicContact CB-CB 4.37Å; I366-R385 HydrophobicContact CD1-CB 4.21Å; I366-R385 HydrophobicContact CD1-CG 4.1Å; N383-R385 PolarHBondContact O-N 3.09Å; R385-L389 HydrophobicContact CG-CD1 4.07Å; R385-L389 HydrophobicContact CG-CG 4.43Å; R385-L389 VanDerWaalsContact O-CG 3.27Å; R385-L389 WeakPolarHBondContact O-CG 3.41Å; R385-L389 PolarHBondContact O-N 3.33Å
386E92.3Very high92.2Very high129 Ų12963.3 Ų63.360%0.60335%0.351SS*.Hα-helixtrans-66.3-47.5-179.4-175.8-177.9-176.800110.5N383 L384 V388 L389 A390N383-E386 HydrophobicContact CB-CB 4.4Å; N383-E386 PolarHBondContact ND2-OE2 2.92Å; N383-E386 WeakPolarHBondContact O-CB 3.46Å; N383-E386 PolarHBondContact O-N 3.22Å; L384-E386 VanDerWaalsContact C-N 3.29Å; L384-E386 PolarHBondContact O-N 3.4Å; E386-V388 VanDerWaalsContact C-N 3.31Å; E386-V388 PolarHBondContact O-N 2.87Å; E386-L389 PolarHBondContact O-N 3.19Å; E386-A390 PolarHBondContact O-N 3.37Å
387L94.7Very high92.1Very high55 Ų5562 Ų6229%0.28835%0.347SS..Hα-helixtrans-60-41.5176.8-60.8176.4000112.1I347 H381 N383 L384 A390 R391I347-L387 HydrophobicContact CD1-CB 4.07Å; I347-L387 HydrophobicContact CD1-CD1 4.03Å; I347-L387 HydrophobicContact CG1-CB 4.4Å; I347-L387 HydrophobicContact CG2-CB 4.49Å; H381-L387 HydrophobicContact CB-CD1 4.16Å; N383-L387 PolarHBondContact O-N 3.12Å; L384-L387 PolarHBondContact O-N 3.06Å; L387-A390 PolarHBondContact O-N 3Å; L387-R391 WeakPolarHBondContact O-CB 3.48Å; L387-R391 PolarHBondContact O-N 3.18Å
388V95.8Very high92Very high0 Ų064.5 Ų64.50%036%0.364CS..Hα-helixtrans-65.1-43.1176.8169.10000111.4I347 I350 A351 L354 L384 E386 R391 M392I347-V388 HydrophobicContact CG2-CG2 4.16Å; I350-V388 HydrophobicContact CB-CG1 4.27Å; I350-V388 HydrophobicContact CB-CG2 3.8Å; I350-V388 HydrophobicContact CD1-CG2 4.43Å; I350-V388 HydrophobicContact CG2-CB 4.48Å; I350-V388 HydrophobicContact CG2-CG1 3.91Å; I350-V388 HydrophobicContact CG2-CG2 3.85Å; A351-V388 HydrophobicContact CB-CG1 4.11Å; L354-V388 HydrophobicContact CD1-CG1 3.5Å; L354-V388 VanDerWaalsContact CD1-CG1 3.5Å; L354-V388 HydrophobicContact CG-CG1 4.26Å; L384-V388 HydrophobicContact CD1-CG2 4Å; L384-V388 HydrophobicContact CG-CG2 4.16Å; L384-V388 WeakPolarHBondContact O-CB 3.3Å; L384-V388 WeakPolarHBondContact O-CG2 3.42Å; L384-V388 PolarHBondContact O-N 2.68Å; E386-V388 VanDerWaalsContact C-N 3.31Å; E386-V388 PolarHBondContact O-N 2.87Å; V388-R391 PolarHBondContact O-N 2.86Å; V388-M392 WeakPolarHBondContact O-CG 3.49Å; V388-M392 PolarHBondContact O-N 3.46Å
389L93.5Very high92.1Very high64 Ų6465 Ų6534%0.33537%0.367SS..Hα-helixtrans-65.2-41.1178.6-72.5173.5000111.8R385 E386 R391 M392 E393R385-L389 HydrophobicContact CG-CD1 4.07Å; R385-L389 HydrophobicContact CG-CG 4.43Å; R385-L389 VanDerWaalsContact O-CG 3.27Å; R385-L389 WeakPolarHBondContact O-CG 3.41Å; R385-L389 PolarHBondContact O-N 3.33Å; E386-L389 PolarHBondContact O-N 3.19Å; L389-R391 VanDerWaalsContact C-N 3.31Å; L389-R391 PolarHBondContact O-N 2.99Å; L389-M392 HydrophobicContact CD2-SD 4.36Å; L389-M392 WeakPolarHBondContact O-CB 3.49Å; L389-M392 PolarHBondContact O-N 2.83Å; L389-E393 PolarHBondContact O-N 2.88Å; L389-E393 VanDerWaalsContact O-N 3.11Å
390A94Very high92.3Very high46 Ų4669.1 Ų69.138%0.3838%0.381SS..Hα-helixtrans-60.1-43.3172.500000111.2E386 L387 M392 E393 E394E386-A390 PolarHBondContact O-N 3.37Å; L387-A390 PolarHBondContact O-N 3Å; A390-M392 VanDerWaalsContact C-N 3.32Å; A390-M392 PolarHBondContact O-N 2.98Å; A390-E393 WeakPolarHBondContact O-CB 3.22Å; A390-E393 PolarHBondContact O-N 3.43Å; A390-E394 PolarHBondContact O-N 3.14Å; A390-E394 VanDerWaalsContact O-N 3.1Å
391R96Very high92.8Very high80 Ų8063 Ų6330%0.30235%0.352SS..Hα-helixtrans-63.6-36.1175.8-17757.1176.9170.43.2112.9I347 D348 A351 L387 V388 L389 E393 E394 L395I347-R391 HydrophobicContact CG2-CB 3.67Å; I347-R391 HydrophobicContact CG2-CG 4Å; D348-R391 IonicContact OD1-CZ 3.59Å; D348-R391 IonicContact OD1-NE 3.35Å; D348-R391 PolarHBondContact OD1-NE 3.06Å; D348-R391 IonicContact OD1-NH2 2.8Å; D348-R391 PolarHBondContact OD1-NH2 3.22Å; A351-R391 HydrophobicContact CB-CB 4.26Å; A351-R391 HydrophobicContact CB-CG 3.97Å; L387-R391 WeakPolarHBondContact O-CB 3.48Å; L387-R391 PolarHBondContact O-N 3.18Å; V388-R391 PolarHBondContact O-N 2.86Å; L389-R391 VanDerWaalsContact C-N 3.31Å; L389-R391 PolarHBondContact O-N 2.99Å; R391-E393 VanDerWaalsContact C-N 3.33Å; R391-E394 VanDerWaalsContact CD-OE2 3.23Å; R391-E394 WeakPolarHBondContact CD-OE2 3.45Å; R391-E394 IonicContact CZ-OE2 2.87Å; R391-E394 IonicContact NE-OE2 2.78Å; R391-E394 IonicContact NH1-OE2 2.94Å; R391-E394 PolarHBondContact NH1-OE2 3.06Å; R391-E394 PolarHBondContact O-N 3.26Å; R391-L395 HydrophobicContact CG-CD1 4.23Å; R391-L395 VanDerWaalsContact O-CG 3.29Å; R391-L395 WeakPolarHBondContact O-CG 3.44Å; R391-L395 PolarHBondContact O-N 3.25Å; R391-L395 VanDerWaalsContact O-N 3.09Å
392M95.2Very high93.3Very high4 Ų458.8 Ų58.82%0.0233%0.333CS..Hα-helixtrans-63.6-40.8175-71.4-174.37800111.7A351 L354 A355 V388 L389 A390 L395 G396 A397 S398 C399A351-M392 HydrophobicContact CB-CG 3.62Å; L354-M392 HydrophobicContact CB-CE 3.91Å; L354-M392 HydrophobicContact CB-SD 3.51Å; L354-M392 VanDerWaalsContact CB-SD 3.51Å; L354-M392 HydrophobicContact CD1-SD 3.81Å; L354-M392 HydrophobicContact CG-SD 4.32Å; A355-M392 HydrophobicContact CB-CE 4.08Å; V388-M392 WeakPolarHBondContact O-CG 3.49Å; V388-M392 PolarHBondContact O-N 3.46Å; L389-M392 HydrophobicContact CD2-SD 4.36Å; L389-M392 WeakPolarHBondContact O-CB 3.49Å; L389-M392 PolarHBondContact O-N 2.83Å; A390-M392 VanDerWaalsContact C-N 3.32Å; A390-M392 PolarHBondContact O-N 2.98Å; M392-L395 CarbonylContact O-C 3.55Å; M392-L395 PolarHBondContact O-N 3.18Å; M392-L395 VanDerWaalsContact O-N 3.15Å; M392-G396 PolarHBondContact O-N 3.36Å; M392-G396 VanDerWaalsContact O-N 3.14Å; M392-A397 CarbonylContact C-O 3.5Å; M392-A397 HydrophobicContact CE-CB 4.18Å; M392-A397 PolarHBondContact O-N 3.16Å; M392-S398 WeakPolarHBondContact CE-O 3.49Å; M392-C399 HydrophobicContact CE-CB 3.76Å; M392-C399 HydrophobicContact SD-CB 3.88Å
393E93.3Very high93.7Very high161 Ų16158.7 Ų58.775%0.75232%0.315SS*.Hα-helixtrans-61.2-44.3175.8-172.5174.2-171.200111.4L389 A390 R391 L395 G396L389-E393 PolarHBondContact O-N 2.88Å; L389-E393 VanDerWaalsContact O-N 3.11Å; A390-E393 WeakPolarHBondContact O-CB 3.22Å; A390-E393 PolarHBondContact O-N 3.43Å; R391-E393 VanDerWaalsContact C-N 3.33Å; E393-L395 VanDerWaalsContact C-N 3.25Å; E393-L395 PolarHBondContact O-N 3.45Å; E393-G396 PolarHBondContact O-N 2.8Å
394E94.5Very high93.8Very high136 Ų13656.8 Ų56.864%0.63631%0.305SS*.Hα-helixtrans-59.3-35.3173.7-67.6172.5-173.400113A390 R391 G396A390-E394 PolarHBondContact O-N 3.14Å; A390-E394 VanDerWaalsContact O-N 3.1Å; R391-E394 VanDerWaalsContact CD-OE2 3.23Å; R391-E394 WeakPolarHBondContact CD-OE2 3.45Å; R391-E394 IonicContact CZ-OE2 2.87Å; R391-E394 IonicContact NE-OE2 2.78Å; R391-E394 IonicContact NH1-OE2 2.94Å; R391-E394 PolarHBondContact NH1-OE2 3.06Å; R391-E394 PolarHBondContact O-N 3.26Å; E394-G396 VanDerWaalsContact C-N 3.27Å; E394-G396 PolarHBondContact O-N 2.99Å
395L93.4Very high93.9Very high68 Ų6856.6 Ų56.636%0.35630%0.304SS..THydrogen-bonded Turntrans-81.2-3.5178.2-68173.8000113.2A351 R391 M392 E393 A397A351-L395 HydrophobicContact CB-CD1 4.19Å; R391-L395 HydrophobicContact CG-CD1 4.23Å; R391-L395 VanDerWaalsContact O-CG 3.29Å; R391-L395 WeakPolarHBondContact O-CG 3.44Å; R391-L395 PolarHBondContact O-N 3.25Å; R391-L395 VanDerWaalsContact O-N 3.09Å; M392-L395 CarbonylContact O-C 3.55Å; M392-L395 PolarHBondContact O-N 3.18Å; M392-L395 VanDerWaalsContact O-N 3.15Å; E393-L395 VanDerWaalsContact C-N 3.25Å; E393-L395 PolarHBondContact O-N 3.45Å; L395-A397 HydrophobicContact CB-CB 4.37Å; L395-A397 PolarHBondContact O-N 2.82Å
396G93.3Very high93.8Very high76 Ų7654.3 Ų54.378%0.78430%0.295SS*.THydrogen-bonded Turntrans64.821.7-172.500000113.3M392 E393 E394M392-G396 PolarHBondContact O-N 3.36Å; M392-G396 VanDerWaalsContact O-N 3.14Å; E393-G396 PolarHBondContact O-N 2.8Å; E394-G396 VanDerWaalsContact C-N 3.27Å; E394-G396 PolarHBondContact O-N 2.99Å
397A93.1Very high93.6Very high35 Ų3548.3 Ų48.329%0.28927%0.268SS..  trans-100.4155.618000000111A355 M392 L395A355-A397 HydrophobicContact CB-CB 4.27Å; M392-A397 CarbonylContact C-O 3.5Å; M392-A397 HydrophobicContact CE-CB 4.18Å; M392-A397 PolarHBondContact O-N 3.16Å; L395-A397 HydrophobicContact CB-CB 4.37Å; L395-A397 PolarHBondContact O-N 2.82Å
398S90.9Very high92.9Very high84 Ų8445.8 Ų45.859%0.58726%0.255SS*.  trans-129.1149.2174.4610000111M392M392-S398 WeakPolarHBondContact CE-O 3.49Å
399C93.4Very high92.4Very high16 Ų1646.1 Ų46.111%0.10826%0.257CS..  trans-100.1118.9175.3-176.10000109L354 M392 T404L354-C399 HydrophobicContact CB-CB 4.18Å; L354-C399 PolarHBondContact O-SG 3.08Å; L354-C399 VanDerWaalsContact O-SG 3.41Å; M392-C399 HydrophobicContact CE-CB 3.76Å; M392-C399 HydrophobicContact SD-CB 3.88Å; C399-T404 HydrophobicContact CB-CG2 4.18Å; C399-T404 WeakPolarHBondContact O-CB 3.44Å; C399-T404 PolarHBondContact O-OG1 3.19Å
400R94.2Very high91.9Very high103 Ų10345 Ų4539%0.38925%0.25SS..  trans-100.114.9-177-59.4-166.867.4-163.10.2113.7P359 R405 D446P359-R400 VanDerWaalsContact CA-O 3.29Å; P359-R400 WeakPolarHBondContact CA-O 2.99Å; P359-R400 HydrophobicContact CB-CB 4.48Å; R400-R405 WeakPolarHBondContact O-CD 3.38Å; R400-R405 PolarHBondContact O-NE 3.47Å; R400-D446 IonicContact CZ-OD1 3.68Å; R400-D446 IonicContact CZ-OD2 3.92Å; R400-D446 IonicContact NE-OD1 2.83Å; R400-D446 IonicContact NE-OD2 3.05Å; R400-D446 PolarHBondContact NE-OD2 3.26Å; R400-D446 IonicContact NH2-OD1 2.96Å; R400-D446 PolarHBondContact NH2-OD1 2.88Å; R400-D446 IonicContact NH2-OD2 3.91Å
401D96.5Very high91.2Very high0 Ų045.9 Ų45.90%025%0.246CC..SBendtrans-59.1157.5179.899.9-85.1000111.8V357 T361 I363 R403 T404 R405V357-D401 HydrophobicContact CB-CB 4.31Å; V357-D401 HydrophobicContact CG1-CB 3.59Å; T361-D401 WeakPolarHBondContact O-CA 3.37Å; T361-D401 WeakPolarHBondContact O-CB 3.35Å; I363-D401 HydrophobicContact CB-CB 4.42Å; I363-D401 HydrophobicContact CG1-CB 3.82Å; I363-D401 PolarHBondContact N-OD2 2.98Å; D401-R403 PolarHBondContact O-N 3.46Å; D401-R403 WeakPolarHBondContact OD2-CB 3.21Å; D401-R403 PolarHBondContact OD2-N 2.72Å; D401-T404 PolarHBondContact N-OG1 2.98Å; D401-T404 PolarHBondContact O-N 3.41Å; D401-T404 PolarHBondContact O-OG1 2.99Å; D401-T404 VanDerWaalsContact OD1-CG2 3.25Å; D401-T404 WeakPolarHBondContact OD1-CG2 3.27Å; D401-T404 PolarHBondContact OD1-N 2.82Å; D401-T404 PolarHBondContact OD1-OG1 2.83Å; D401-R405 WeakPolarHBondContact O-CG 3.05Å; D401-R405 PolarHBondContact O-N 3.05Å
402V95.9Very high90.4Very high1 Ų145 Ų451%0.00625%0.247CC..Hα-helixtrans-53.3-34.5-179.11720000112P359 T361 R362 E406 L448 L451 Y495P359-V402 WeakPolarHBondContact O-CG2 3.4Å; T361-V402 PolarHBondContact O-N 3.21Å; R362-V402 HydrophobicContact CB-CB 3.79Å; R362-V402 HydrophobicContact CB-CG1 4.28Å; R362-V402 HydrophobicContact CB-CG2 4.3Å; R362-V402 HydrophobicContact CG-CB 4.11Å; R362-V402 HydrophobicContact CG-CG1 4.34Å; V402-E406 VanDerWaalsContact O-CG 3.25Å; V402-E406 WeakPolarHBondContact O-CG 3.42Å; V402-E406 PolarHBondContact O-N 2.6Å; V402-L448 HydrophobicContact CB-CD2 4.35Å; V402-L448 HydrophobicContact CG1-CD2 3.66Å; V402-L451 HydrophobicContact CG1-CD2 3.68Å; V402-L451 HydrophobicContact CG2-CD2 4.29Å; V402-Y495 HydrophobicContact CG1-CE2 4.33Å; V402-Y495 VanDerWaalsContact CG1-OH 3.27Å; V402-Y495 WeakPolarHBondContact CG1-OH 3.38Å
403R93.3Very high89.6Confident53 Ų5350.8 Ų50.820%0.227%0.274CS..Hα-helixtrans-71.6-45.1-176.9-175.1179.5171.974.44.4113.2R362 I363 D401 R405 E406R362-R403 HydrophobicContact CG-CB 4.34Å; I363-R403 VanDerWaalsContact O-CD 3.27Å; I363-R403 WeakPolarHBondContact O-CD 3.15Å; D401-R403 PolarHBondContact O-N 3.46Å; D401-R403 WeakPolarHBondContact OD2-CB 3.21Å; D401-R403 PolarHBondContact OD2-N 2.72Å; R403-R405 PolarHBondContact O-N 3.37Å; R403-E406 PolarHBondContact O-N 3.08Å
404T91.2Very high88.9Confident26 Ų2646.1 Ų46.116%0.1626%0.259CS..Hα-helixtrans-65.3-28.6178.749.50000111.4C399 D401 Q410C399-T404 HydrophobicContact CB-CG2 4.18Å; C399-T404 WeakPolarHBondContact O-CB 3.44Å; C399-T404 PolarHBondContact O-OG1 3.19Å; D401-T404 PolarHBondContact N-OG1 2.98Å; D401-T404 PolarHBondContact O-N 3.41Å; D401-T404 PolarHBondContact O-OG1 2.99Å; D401-T404 VanDerWaalsContact OD1-CG2 3.25Å; D401-T404 WeakPolarHBondContact OD1-CG2 3.27Å; D401-T404 PolarHBondContact OD1-N 2.82Å; D401-T404 PolarHBondContact OD1-OG1 2.83Å; T404-Q410 PolarHBondContact O-NE2 2.96Å
405R93.4Very high88.2Confident3 Ų349.9 Ų49.91%0.01127%0.267CS..Hα-helixtrans-85.2-16.2-178.3-58.5-164.9-61.2140.711.2114.8P359 R400 D401 R403 V407 E441 D446 I447 L448P359-R405 PolarHBondContact O-NH2 3.03Å; R400-R405 WeakPolarHBondContact O-CD 3.38Å; R400-R405 PolarHBondContact O-NE 3.47Å; D401-R405 WeakPolarHBondContact O-CG 3.05Å; D401-R405 PolarHBondContact O-N 3.05Å; R403-R405 PolarHBondContact O-N 3.37Å; R405-V407 PolarHBondContact O-N 3.43Å; R405-E441 IonicContact CZ-OE1 3.45Å; R405-E441 IonicContact CZ-OE2 3.03Å; R405-E441 VanDerWaalsContact NH1-CD 3.34Å; R405-E441 IonicContact NH1-OE1 2.68Å; R405-E441 PolarHBondContact NH1-OE1 3.21Å; R405-E441 IonicContact NH1-OE2 3.11Å; R405-E441 PolarHBondContact NH1-OE2 2.93Å; R405-E441 IonicContact NH2-OE1 2.97Å; R405-E441 PolarHBondContact NH2-OE1 2.57Å; R405-E441 IonicContact NH2-OE2 3.4Å; R405-D446 VanDerWaalsContact CB-O 3.3Å; R405-D446 WeakPolarHBondContact CB-O 3.47Å; R405-D446 WeakPolarHBondContact CD-OD1 3.37Å; R405-D446 WeakPolarHBondContact CD-OD2 3.32Å; R405-D446 WeakPolarHBondContact CG-O 3.42Å; R405-D446 IonicContact CZ-OD1 3.11Å; R405-D446 IonicContact NE-OD1 3.13Å; R405-D446 IonicContact NH1-OD1 3.67Å; R405-D446 PolarHBondContact NH1-OD1 3.47Å; R405-I447 CarbonylContact O-C 3.55Å; R405-I447 WeakPolarHBondContact O-CA 3.26Å; R405-L448 HydrophobicContact CB-CB 3.88Å; R405-L448 PolarHBondContact O-N 3.09Å
406E92.1Very high87.6Confident0 Ų048.9 Ų48.90%026%0.264CS..BIsolated β-bridgetrans-54.4130.6-176.5-63.7-171.6169.400112.9S86 R362 V402 R403 G408 I409 Q410 Y495S86-E406 PolarHBondContact OG-OE1 3.4Å; S86-E406 PolarHBondContact OG-OE2 3.35Å; R362-E406 IonicContact CZ-OE1 3.66Å; R362-E406 IonicContact NH1-OE1 3.82Å; R362-E406 PolarHBondContact NH1-OE1 2.88Å; R362-E406 IonicContact NH2-OE1 3.83Å; R362-E406 PolarHBondContact NH2-OE1 2.94Å; R362-E406 IonicContact NH2-OE2 3.74Å; V402-E406 VanDerWaalsContact O-CG 3.25Å; V402-E406 WeakPolarHBondContact O-CG 3.42Å; V402-E406 PolarHBondContact O-N 2.6Å; R403-E406 PolarHBondContact O-N 3.08Å; E406-G408 PolarHBondContact O-N 2.93Å; E406-G408 VanDerWaalsContact O-N 3.13Å; E406-I409 HydrophobicContact CB-CB 4.16Å; E406-I409 HydrophobicContact CB-CG1 3.91Å; E406-I409 HydrophobicContact CG-CG1 4.49Å; E406-I409 WeakPolarHBondContact O-CA 3.25Å; E406-I409 PolarHBondContact O-N 3.37Å; E406-I409 WeakPolarHBondContact OE2-CG1 3.41Å; E406-Q410 PolarHBondContact O-N 3.48Å; E406-Y495 HydrophobicContact CB-CD1 4.41Å; E406-Y495 HydrophobicContact CB-CG 4.33Å; E406-Y495 VanDerWaalsContact CD-CE1 3.42Å; E406-Y495 HydrophobicContact CG-CD1 3.79Å; E406-Y495 HydrophobicContact CG-CD2 4.3Å; E406-Y495 HydrophobicContact CG-CE1 3.9Å; E406-Y495 HydrophobicContact CG-CE2 4.36Å; E406-Y495 HydrophobicContact CG-CG 4.02Å; E406-Y495 VanDerWaalsContact OE1-CD1 3.3Å; E406-Y495 WeakPolarHBondContact OE1-CD1 3.37Å; E406-Y495 WeakPolarHBondContact OE1-CE1 3.4Å
407V87.1Confident86.9Confident3 Ų352 Ų522%0.01826%0.256CS..Hα-helixtrans-53.1-38.6176.366.60000112.8R405 I409 Q410 E411 P418 I447 L448 F509R405-V407 PolarHBondContact O-N 3.43Å; V407-I409 VanDerWaalsContact C-N 3.3Å; V407-I409 PolarHBondContact O-N 3.13Å; V407-Q410 PolarHBondContact O-N 3.42Å; V407-E411 VanDerWaalsContact O-CB 3.27Å; V407-E411 WeakPolarHBondContact O-CB 3.39Å; V407-E411 PolarHBondContact O-N 2.71Å; V407-P418 HydrophobicContact CG2-CG 4.21Å; V407-I447 HydrophobicContact CB-CG2 3.75Å; V407-I447 HydrophobicContact CG2-CG2 4Å; V407-L448 PolarHBondContact N-O 2.64Å; V407-F509 HydrophobicContact CG1-CD2 4.14Å; V407-F509 HydrophobicContact CG2-CD2 3.95Å; V407-F509 HydrophobicContact CG2-CE2 3.59Å; V407-F509 HydrophobicContact CG2-CZ 4.37Å
408G81.4Confident86.3Confident3 Ų351.2 Ų51.23%0.03125%0.248CC..Hα-helixtrans-69.3-24.517800000114E406 I412E406-G408 PolarHBondContact O-N 2.93Å; E406-G408 VanDerWaalsContact O-N 3.13Å; G408-I412 VanDerWaalsContact O-CD1 3.23Å; G408-I412 WeakPolarHBondContact O-CD1 3.4Å; G408-I412 WeakPolarHBondContact O-CG1 3.4Å
409I84.4Confident85.9Confident7 Ų754.3 Ų54.34%0.03625%0.248CC..Hα-helixtrans-86.4-42.9176-62.1-63.6000110V82 A85 E406 V407 E411 I412 H413V82-I409 HydrophobicContact CG1-CD1 3.87Å; A85-I409 HydrophobicContact CB-CD1 4.01Å; E406-I409 HydrophobicContact CB-CB 4.16Å; E406-I409 HydrophobicContact CB-CG1 3.91Å; E406-I409 HydrophobicContact CG-CG1 4.49Å; E406-I409 WeakPolarHBondContact O-CA 3.25Å; E406-I409 PolarHBondContact O-N 3.37Å; E406-I409 WeakPolarHBondContact OE2-CG1 3.41Å; V407-I409 VanDerWaalsContact C-N 3.3Å; V407-I409 PolarHBondContact O-N 3.13Å; I409-E411 VanDerWaalsContact C-N 3.32Å; I409-E411 PolarHBondContact O-N 3.31Å; I409-I412 PolarHBondContact O-N 3.06Å; I409-I412 VanDerWaalsContact O-N 3.12Å; I409-H413 PolarHBondContact O-N 3.36Å
410Q83.8Confident85.7Confident41 Ų4157 Ų5719%0.19226%0.258CS..Hα-helixtrans-61.5-38.4175.7-72.7-66.6-1800112.3T404 E406 V407 I412 S414 R415 I447T404-Q410 PolarHBondContact O-NE2 2.96Å; E406-Q410 PolarHBondContact O-N 3.48Å; V407-Q410 PolarHBondContact O-N 3.42Å; Q410-I412 VanDerWaalsContact C-N 3.3Å; Q410-I412 PolarHBondContact O-N 3.4Å; Q410-S414 CarbonylContact O-C 3.59Å; Q410-S414 WeakPolarHBondContact O-CA 3.47Å; Q410-S414 WeakPolarHBondContact O-CB 3.34Å; Q410-S414 PolarHBondContact O-N 3.04Å; Q410-S414 PolarHBondContact OE1-OG 2.75Å; Q410-R415 PolarHBondContact O-N 2.74Å; Q410-I447 HydrophobicContact CG-CG1 4.3Å
411E79.5Confident85.5Confident63 Ų6354.6 Ų54.629%0.29426%0.255SS..Hα-helixtrans-63.4-35.8174.3-172.5175.7-159.400112V407 I409 R415V407-E411 VanDerWaalsContact O-CB 3.27Å; V407-E411 WeakPolarHBondContact O-CB 3.39Å; V407-E411 PolarHBondContact O-N 2.71Å; I409-E411 VanDerWaalsContact C-N 3.32Å; I409-E411 PolarHBondContact O-N 3.31Å; E411-R415 WeakPolarHBondContact O-CA 3.47Å; E411-R415 PolarHBondContact O-N 3.28Å
412I77.8Confident85.3Confident63 Ų6358 Ų5832%0.32327%0.271SS..Hα-helixtrans-78-45.6-179.4-64.2170.5000111.5P81 V82 A85 G408 I409 Q410P81-I412 HydrophobicContact CB-CD1 4.15Å; P81-I412 HydrophobicContact CG-CD1 4.47Å; P81-I412 HydrophobicContact CG-CG2 4.39Å; V82-I412 HydrophobicContact CG2-CD1 4.15Å; V82-I412 HydrophobicContact CG2-CG2 4.28Å; A85-I412 HydrophobicContact CB-CD1 3.61Å; G408-I412 VanDerWaalsContact O-CD1 3.23Å; G408-I412 WeakPolarHBondContact O-CD1 3.4Å; G408-I412 WeakPolarHBondContact O-CG1 3.4Å; I409-I412 PolarHBondContact O-N 3.06Å; I409-I412 VanDerWaalsContact O-N 3.12Å; Q410-I412 VanDerWaalsContact C-N 3.3Å; Q410-I412 PolarHBondContact O-N 3.4Å
413H79.7Confident85.4Confident125 Ų12561.3 Ų61.358%0.57929%0.288SS*.Hα-helixtrans-87.2-45.5-172.7-65.5176.8000112.6I409I409-H413 PolarHBondContact O-N 3.36Å
414S78.2Confident85.5Confident62 Ų6260.2 Ų60.243%0.43429%0.287SS..THydrogen-bonded Turntrans-106.3-12.7-170.6-43.70000112.7Q410 V416Q410-S414 CarbonylContact O-C 3.59Å; Q410-S414 WeakPolarHBondContact O-CA 3.47Å; Q410-S414 WeakPolarHBondContact O-CB 3.34Å; Q410-S414 PolarHBondContact O-N 3.04Å; Q410-S414 PolarHBondContact OE1-OG 2.75Å; S414-V416 WeakPolarHBondContact O-CG2 2.87Å; S414-V416 PolarHBondContact O-N 3.24Å
415R80.5Confident85.9Confident216 Ų21663 Ų6382%0.81530%0.295SS*.  trans55.726-174-55.6-179.9-178.6-177.6-0.7113.4Q410 E411Q410-R415 PolarHBondContact O-N 2.74Å; E411-R415 WeakPolarHBondContact O-CA 3.47Å; E411-R415 PolarHBondContact O-N 3.28Å
416V79.6Confident86.1Confident47 Ų4765 Ų6529%0.28530%0.302SS..  trans-92140178.5-174.20000109.5S414 Q445 I447S414-V416 WeakPolarHBondContact O-CG2 2.87Å; S414-V416 PolarHBondContact O-N 3.24Å; V416-Q445 VanDerWaalsContact CG1-NE2 3.33Å; V416-I447 HydrophobicContact CB-CD1 4.24Å; V416-I447 HydrophobicContact CG1-CD1 3.67Å
417K78.9Confident86.3Confident142 Ų14267.7 Ų67.762%0.61732%0.317SS*.  trans-115.8141.9170.5-65.6-173.7-179.4-178.90109Q445K417-Q445 PolarHBondContact O-OE1 2.95Å
418P80.4Confident86.8Confident18 Ų1868 Ų6812%0.11732%0.318CS..  trans-65.1144.4177.629.8-35.3000110V407 V421 D442 I447 I449 F509V407-P418 HydrophobicContact CG2-CG 4.21Å; P418-V421 HydrophobicContact CB-CG2 4.23Å; P418-D442 HydrophobicContact CB-CB 3.85Å; P418-I447 HydrophobicContact CB-CD1 4.44Å; P418-I447 HydrophobicContact CB-CG2 4.36Å; P418-I449 HydrophobicContact CB-CD1 4.1Å; P418-I449 HydrophobicContact CG-CD1 3.86Å; P418-I449 HydrophobicContact CG-CG1 4.2Å; P418-F509 HydrophobicContact CG-CE1 3.84Å; P418-F509 HydrophobicContact CG-CE2 4.11Å; P418-F509 HydrophobicContact CG-CZ 3.36Å
419Y83.1Confident87.5Confident149 Ų14970.8 Ų70.858%0.58433%0.334SS*.SBendtrans-121.3-27.1178.169.4-93.6000112.9D442 Y444 Q445Y419-D442 PolarHBondContact N-OD2 3.39Å; Y419-Y444 VanDerWaalsContact OH-CB 3.27Å; Y419-Y444 WeakPolarHBondContact OH-CB 3.48Å; Y419-Q445 VanDerWaalsContact CD1-CD 3.47Å; Y419-Q445 HydrophobicContact CD1-CG 4.11Å; Y419-Q445 VanDerWaalsContact CE1-CD 3.45Å; Y419-Q445 HydrophobicContact CE1-CG 3.6Å
420Q88.5Confident88.1Confident71 Ų7170.4 Ų70.433%0.33233%0.332SS..SBendtrans-128.895.1179.6-177.4169.3-10.900110.2E422 D442 Y444Q420-E422 HydrophobicContact CG-CG 4.43Å; Q420-E422 PolarHBondContact NE2-OE1 2.77Å; Q420-D442 PolarHBondContact N-OD2 3.1Å; Q420-D442 VanDerWaalsContact O-CA 3.29Å; Q420-D442 WeakPolarHBondContact O-CA 3.18Å; Q420-Y444 HydrophobicContact CB-CD2 4.33Å; Q420-Y444 HydrophobicContact CG-CD2 4.36Å; Q420-Y444 HydrophobicContact CG-CE2 4.09Å
421V89.5Confident88.6Confident53 Ų5368.8 Ų68.832%0.32133%0.325SS..  trans-93.6124.5-175.3-177.80000110.5P418 Y440 E441 I449 F514P418-V421 HydrophobicContact CB-CG2 4.23Å; V421-Y440 HydrophobicContact CG1-CD1 3.92Å; V421-Y440 HydrophobicContact CG1-CG 4.38Å; V421-E441 WeakPolarHBondContact CA-O 3.49Å; V421-I449 HydrophobicContact CB-CD1 4.04Å; V421-I449 HydrophobicContact CG1-CD1 3.58Å; V421-I449 HydrophobicContact CG2-CD1 3.23Å; V421-F514 HydrophobicContact CG1-CE1 3.85Å; V421-F514 HydrophobicContact CG1-CZ 4.1Å
422E94Very high89.2Confident73 Ų7368.7 Ų68.734%0.34134%0.34SS..EExtended strand (participates in β ladder)trans-128.2152.9-178.7-63.9-179.7-172.500111.1Q420 Y440 E441Q420-E422 HydrophobicContact CG-CG 4.43Å; Q420-E422 PolarHBondContact NE2-OE1 2.77Å; E422-Y440 WeakPolarHBondContact O-CA 3.45Å; E422-E441 PolarHBondContact N-O 3.21Å; E422-E441 PolarHBondContact O-N 2.98Å
423L96.1Very high89.9Confident69 Ų6966 Ų6636%0.36133%0.328SS..EExtended strand (participates in β ladder)trans-81.5115.1170.8176.468000108.9L438 Y440 L518 E521L423-L438 HydrophobicContact CD1-CB 4.48Å; L423-Y440 HydrophobicContact CB-CD1 4.27Å; L423-Y440 HydrophobicContact CB-CE1 3.79Å; L423-Y440 HydrophobicContact CD1-CE1 4.44Å; L423-Y440 HydrophobicContact CD1-CE2 4.26Å; L423-L518 HydrophobicContact CD1-CD2 4.17Å; L423-E521 HydrophobicContact CD2-CG 3.94Å
424V97.3Very high90.7Very high30 Ų3065.3 Ų65.318%0.18232%0.321CS..EExtended strand (participates in β ladder)trans-107.9130.7177-174.70000109.7R426 A439 E441V424-R426 HydrophobicContact CG1-CG 4.45Å; V424-A439 PolarHBondContact N-O 3.5Å; V424-A439 PolarHBondContact O-N 2.95Å; V424-E441 HydrophobicContact CG2-CB 4.14Å; V424-E441 HydrophobicContact CG2-CG 4.48Å
425R97.8Very high91.6Very high85 Ų8562.3 Ų62.332%0.32130%0.3SS..EExtended strand (participates in β ladder)trans-113.7136.1177.3175.2176.6171173.61.1110.6D427 T436 F437 L438 E529R425-D427 IonicContact CZ-OD1 2.98Å; R425-D427 IonicContact CZ-OD2 2.87Å; R425-D427 IonicContact NE-OD1 3.43Å; R425-D427 PolarHBondContact NE-OD1 3.34Å; R425-D427 IonicContact NE-OD2 3.66Å; R425-D427 PolarHBondContact NE-OD2 3.32Å; R425-D427 IonicContact NH2-OD1 2.82Å; R425-D427 PolarHBondContact NH2-OD1 3.26Å; R425-D427 IonicContact NH2-OD2 3.96Å; R425-D427 PolarHBondContact NH2-OD2 2.98Å; R425-T436 HydrophobicContact CG-CG2 4.08Å; R425-F437 CarbonylContact C-O 3.55Å; R425-F437 WeakPolarHBondContact CA-O 3.3Å; R425-L438 HydrophobicContact CB-CD2 3.95Å; R425-L438 HydrophobicContact CG-CD2 3.88Å; R425-E529 IonicContact CZ-OE2 3.84Å; R425-E529 IonicContact NH1-OE1 2.62Å; R425-E529 PolarHBondContact NH1-OE1 2.7Å; R425-E529 IonicContact NH1-OE2 3.43Å; R425-E529 PolarHBondContact NH1-OE2 3.37Å; R425-E529 IonicContact NH2-OE2 3.9Å; R425-E529 PolarHBondContact NH2-OE2 2.81Å
426R97.7Very high92.5Very high44 Ų4452 Ų5217%0.16626%0.261CS..EExtended strand (participates in β ladder)trans-136.7111174.7-59-178.4-175.789.4-4.7109.5W360 V424 F437 E441W360-R426 HydrophobicContact CE3-CB 4.21Å; V424-R426 HydrophobicContact CG1-CG 4.45Å; R426-F437 HydrophobicContact CB-CB 4.41Å; R426-F437 PolarHBondContact N-O 3.23Å; R426-F437 WeakPolarHBondContact O-CB 3.29Å; R426-F437 PolarHBondContact O-N 3.47Å; R426-E441 IonicContact CZ-OE1 3.33Å; R426-E441 IonicContact CZ-OE2 3.39Å; R426-E441 IonicContact NH1-OE1 2.96Å; R426-E441 PolarHBondContact NH1-OE1 2.82Å; R426-E441 IonicContact NH1-OE2 3.55Å; R426-E441 PolarHBondContact NH1-OE2 3.07Å; R426-E441 IonicContact NH2-OE1 3.58Å; R426-E441 IonicContact NH2-OE2 2.7Å; R426-E441 PolarHBondContact NH2-OE2 3.11Å
427D97.9Very high93.4Very high57 Ų5749.9 Ų49.931%0.30525%0.248SC..EExtended strand (participates in β ladder)trans-95.5143175.9-59.1-91.1000111.3R425 W434 E435 T436R425-D427 IonicContact CZ-OD1 2.98Å; R425-D427 IonicContact CZ-OD2 2.87Å; R425-D427 IonicContact NE-OD1 3.43Å; R425-D427 PolarHBondContact NE-OD1 3.34Å; R425-D427 IonicContact NE-OD2 3.66Å; R425-D427 PolarHBondContact NE-OD2 3.32Å; R425-D427 IonicContact NH2-OD1 2.82Å; R425-D427 PolarHBondContact NH2-OD1 3.26Å; R425-D427 IonicContact NH2-OD2 3.96Å; R425-D427 PolarHBondContact NH2-OD2 2.98Å; D427-W434 HydrophobicContact CB-CZ2 3.56Å; D427-W434 PolarHBondContact OD1-NE1 3.31Å; D427-W434 VanDerWaalsContact OD1-NE1 3.14Å; D427-E435 CarbonylContact C-O 3.53Å; D427-E435 VanDerWaalsContact CA-O 3.3Å; D427-E435 WeakPolarHBondContact CA-O 3.49Å; D427-T436 WeakPolarHBondContact OD1-CB 3.49Å; D427-T436 WeakPolarHBondContact OD1-CG2 3.46Å; D427-T436 PolarHBondContact OD1-OG1 3.39Å
428Y97.3Very high94.3Very high11 Ų1143.1 Ų43.14%0.04322%0.218CC..EExtended strand (participates in β ladder)trans-155.9152.9174.258.2-82.8000111.4W360 A430 E435 F437 R453W360-Y428 HydrophobicContact CB-CE1 4.31Å; W360-Y428 AromaticContact CD1-CE1 3.71Å; W360-Y428 AromaticContact CD1-CZ 3.61Å; W360-Y428 HydrophobicContact CD2-CD1 4.16Å; W360-Y428 HydrophobicContact CD2-CE1 4.07Å; W360-Y428 HydrophobicContact CG-CD1 4.35Å; W360-Y428 AromaticContact CG-CE1 3.77Å; W360-Y428 HydrophobicContact CG-CE1 3.77Å; W360-Y428 HydrophobicContact CZ2-CD1 4.48Å; W360-Y428 HydrophobicContact CZ2-CG 4.48Å; W360-Y428 AromaticContact NE1-CE1 3.94Å; W360-Y428 AromaticContact NE1-CZ 3.86Å; Y428-A430 HydrophobicContact CD2-CB 4.14Å; Y428-A430 HydrophobicContact CE2-CB 4.08Å; Y428-E435 HydrophobicContact CD1-CB 4.21Å; Y428-E435 HydrophobicContact CD2-CB 3.93Å; Y428-E435 HydrophobicContact CD2-CG 4.21Å; Y428-E435 HydrophobicContact CE1-CB 3.84Å; Y428-E435 HydrophobicContact CE2-CB 3.55Å; Y428-E435 HydrophobicContact CE2-CG 3.67Å; Y428-E435 HydrophobicContact CG-CB 4.24Å; Y428-E435 VanDerWaalsContact CZ-CB 3.49Å; Y428-E435 PolarHBondContact N-O 3.32Å; Y428-E435 WeakPolarHBondContact O-CB 3.13Å; Y428-E435 PolarHBondContact O-N 3.38Å; Y428-F437 HydrophobicContact CE1-CB 4.06Å; Y428-R453 PolarHBondContact OH-NH1 2.87Å
429V96.3Very high95.1Very high60 Ų6042.2 Ų42.236%0.36421%0.213SC..EExtended strand (participates in β ladder)trans-83.5135.9171.5-178.70000109.5P309 R312 W434P309-V429 HydrophobicContact CB-CG1 4.3Å; R312-V429 WeakPolarHBondContact CD-O 3.23Å; R312-V429 PolarHBondContact NH1-O 3.06Å; V429-W434 HydrophobicContact CG2-CE3 3.76Å; V429-W434 HydrophobicContact CG2-CZ3 3.74Å
430A95.8Very high95.7Very high0 Ų036.7 Ų36.70%019%0.191CC..EExtended strand (participates in β ladder)trans-150.2130.7170.300000111.5P309 R312 Y428 G432 G433 E435 R455P309-A430 CarbonylContact O-C 3.4Å; P309-A430 WeakPolarHBondContact O-CA 3.36Å; R312-A430 HydrophobicContact CB-CB 4.02Å; Y428-A430 HydrophobicContact CD2-CB 4.14Å; Y428-A430 HydrophobicContact CE2-CB 4.08Å; A430-G432 PolarHBondContact O-N 2.95Å; A430-G433 PolarHBondContact N-O 2.85Å; A430-G433 PolarHBondContact O-N 2.67Å; A430-E435 HydrophobicContact CB-CG 4.04Å; A430-R455 PolarHBondContact O-NH1 3.02Å
431N95.6Very high96Very high7 Ų733.4 Ų33.44%0.03718%0.176CC..THydrogen-bonded Turntrans45.260.1177.2-56.693.8000112.2C269 F272 H273 K276 P309 A310 F311 G433 R455C269-N431 PolarHBondContact O-ND2 3.28Å; F272-N431 VanDerWaalsContact CB-ND2 3.35Å; F272-N431 WeakPolarHBondContact CB-ND2 3.49Å; H273-N431 HydrophobicContact CB-CB 3.79Å; H273-N431 PolarHBondContact CD2-O 2.57Å; H273-N431 VanDerWaalsContact CD2-O 3.24Å; H273-N431 PolarHBondContact CE1-O 3.3Å; H273-N431 VanDerWaalsContact CE1-O 3.26Å; H273-N431 VanDerWaalsContact CG-O 3.31Å; H273-N431 PolarHBondContact ND1-O 3.48Å; H273-N431 PolarHBondContact NE2-O 3.29Å; K276-N431 HydrophobicContact CD-CB 4.34Å; K276-N431 WeakPolarHBondContact CE-OD1 3.39Å; K276-N431 PolarHBondContact NZ-OD1 2.97Å; P309-N431 PolarHBondContact O-N 3.38Å; A310-N431 PolarHBondContact O-ND2 3.39Å; F311-N431 PolarHBondContact O-OD1 3.41Å; N431-G433 PolarHBondContact O-N 3.28Å; N431-R455 PolarHBondContact O-NH2 2.94Å
432G90.5Very high96.1Very high60 Ų6030.9 Ų30.962%0.61916%0.16SC*.THydrogen-bonded Turntrans65.92.717800000116.5A430 S458A430-G432 PolarHBondContact O-N 2.95Å; G432-S458 WeakPolarHBondContact O-CB 3.33Å
433G92.8Very high96Very high7 Ų729.9 Ų29.97%0.07216%0.16CC..EExtended strand (participates in β ladder)trans-122.4167.4177.100000113.1A430 N431A430-G433 PolarHBondContact N-O 2.85Å; A430-G433 PolarHBondContact O-N 2.67Å; N431-G433 PolarHBondContact O-N 3.28Å
434W96.4Very high95.7Very high110 Ų11033.8 Ų33.842%0.41717%0.171SC..EExtended strand (participates in β ladder)trans-98.5121.2177.8-169.5-92.2000109.8D427 V429 R455 K456 H530D427-W434 HydrophobicContact CB-CZ2 3.56Å; D427-W434 PolarHBondContact OD1-NE1 3.31Å; D427-W434 VanDerWaalsContact OD1-NE1 3.14Å; V429-W434 HydrophobicContact CG2-CE3 3.76Å; V429-W434 HydrophobicContact CG2-CZ3 3.74Å; W434-R455 CarbonylContact O-C 3.56Å; W434-R455 WeakPolarHBondContact O-CA 3.19Å; W434-K456 HydrophobicContact CB-CB 4.07Å; W434-K456 PolarHBondContact O-N 3.41Å; W434-H530 AromaticContact CD1-NE2 3.68Å
435E97.9Very high95.4Very high0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-105.4127.3177-60-73.3159.100109.4D427 Y428 A430 R455 R490D427-E435 CarbonylContact C-O 3.53Å; D427-E435 VanDerWaalsContact CA-O 3.3Å; D427-E435 WeakPolarHBondContact CA-O 3.49Å; Y428-E435 HydrophobicContact CD1-CB 4.21Å; Y428-E435 HydrophobicContact CD2-CB 3.93Å; Y428-E435 HydrophobicContact CD2-CG 4.21Å; Y428-E435 HydrophobicContact CE1-CB 3.84Å; Y428-E435 HydrophobicContact CE2-CB 3.55Å; Y428-E435 HydrophobicContact CE2-CG 3.67Å; Y428-E435 HydrophobicContact CG-CB 4.24Å; Y428-E435 VanDerWaalsContact CZ-CB 3.49Å; Y428-E435 PolarHBondContact N-O 3.32Å; Y428-E435 WeakPolarHBondContact O-CB 3.13Å; Y428-E435 PolarHBondContact O-N 3.38Å; A430-E435 HydrophobicContact CB-CG 4.04Å; E435-R455 VanDerWaalsContact OE1-CD 3.24Å; E435-R455 WeakPolarHBondContact OE1-CD 2.97Å; E435-R455 WeakPolarHBondContact OE1-CG 3.11Å; E435-R455 IonicContact OE1-CZ 3.31Å; E435-R455 IonicContact OE1-NE 3.14Å; E435-R455 IonicContact OE1-NH1 2.98Å; E435-R455 PolarHBondContact OE1-NH1 2.92Å; E435-R490 IonicContact OE1-CZ 3.07Å; E435-R490 IonicContact OE1-NH1 3.98Å; E435-R490 PolarHBondContact OE1-NH1 2.99Å; E435-R490 IonicContact OE2-NH1 2.62Å; E435-R490 PolarHBondContact OE2-NH1 3.41Å
436T98.4Very high95.1Very high0 Ų033.2 Ų33.20%017%0.171CC..EExtended strand (participates in β ladder)trans-113106.7171.2-57.90000108.4R425 D427 L438 L454 I525R425-T436 HydrophobicContact CG-CG2 4.08Å; D427-T436 WeakPolarHBondContact OD1-CB 3.49Å; D427-T436 WeakPolarHBondContact OD1-CG2 3.46Å; D427-T436 PolarHBondContact OD1-OG1 3.39Å; T436-L438 HydrophobicContact CG2-CD2 3.85Å; T436-L438 HydrophobicContact CG2-CG 4.22Å; T436-L454 PolarHBondContact N-O 3.22Å; T436-L454 PolarHBondContact O-N 3.32Å; T436-I525 HydrophobicContact CG2-CD1 4.02Å
437F98.4Very high94.9Very high1 Ų131.1 Ų31.10%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-90.7114.5175.2-179.4-89.4000109.4W360 R425 R426 Y428 A439 L451 R453W360-F437 HydrophobicContact CB-CB 4.2Å; W360-F437 HydrophobicContact CB-CD1 4Å; W360-F437 HydrophobicContact CB-CD2 3.65Å; W360-F437 HydrophobicContact CB-CE1 4.25Å; W360-F437 HydrophobicContact CB-CE2 3.92Å; W360-F437 HydrophobicContact CB-CG 3.69Å; W360-F437 HydrophobicContact CB-CZ 4.21Å; R425-F437 CarbonylContact C-O 3.55Å; R425-F437 WeakPolarHBondContact CA-O 3.3Å; R426-F437 HydrophobicContact CB-CB 4.41Å; R426-F437 PolarHBondContact N-O 3.23Å; R426-F437 WeakPolarHBondContact O-CB 3.29Å; R426-F437 PolarHBondContact O-N 3.47Å; Y428-F437 HydrophobicContact CE1-CB 4.06Å; F437-A439 HydrophobicContact CD1-CB 4.37Å; F437-A439 HydrophobicContact CE1-CB 3.68Å; F437-A439 HydrophobicContact CZ-CB 4.29Å; F437-L451 HydrophobicContact CE2-CB 3.96Å; F437-L451 HydrophobicContact CE2-CD1 4.2Å; F437-L451 HydrophobicContact CE2-CD2 3.88Å; F437-L451 HydrophobicContact CE2-CG 4.25Å; F437-L451 HydrophobicContact CZ-CB 3.78Å; F437-L451 HydrophobicContact CZ-CD2 3.91Å; F437-L451 HydrophobicContact CZ-CG 4.38Å; F437-R453 HydrophobicContact CD2-CG 4.06Å
438L98.5Very high94.6Very high0 Ų028.4 Ų28.40%015%0.149CC..EExtended strand (participates in β ladder)trans-104.8139.4175.6-57.3177.4000109L423 R425 T436 L451 L452 L518 E521 A522 I525L423-L438 HydrophobicContact CD1-CB 4.48Å; R425-L438 HydrophobicContact CB-CD2 3.95Å; R425-L438 HydrophobicContact CG-CD2 3.88Å; T436-L438 HydrophobicContact CG2-CD2 3.85Å; T436-L438 HydrophobicContact CG2-CG 4.22Å; L438-L451 CarbonylContact O-C 3.54Å; L438-L451 VanDerWaalsContact O-CA 3.25Å; L438-L451 WeakPolarHBondContact O-CA 3.42Å; L438-L452 HydrophobicContact CB-CB 4.41Å; L438-L452 HydrophobicContact CD1-CD2 4.2Å; L438-L452 PolarHBondContact N-O 2.9Å; L438-L452 PolarHBondContact O-N 3.23Å; L438-L518 HydrophobicContact CB-CD2 3.85Å; L438-E521 HydrophobicContact CD1-CB 4.17Å; L438-E521 HydrophobicContact CD1-CG 3.82Å; L438-E521 HydrophobicContact CD2-CG 4.43Å; L438-A522 HydrophobicContact CD1-CB 4.37Å; L438-I525 HydrophobicContact CD1-CD1 3.96Å; L438-I525 HydrophobicContact CD2-CD1 3.8Å; L438-I525 HydrophobicContact CG-CD1 4.37Å
439A97.4Very high94.4Very high0 Ų027.9 Ų27.90%015%0.147CC..EExtended strand (participates in β ladder)trans-148.7141.6176.200000111.9V424 F437 E441 L448 G450 L451V424-A439 PolarHBondContact N-O 3.5Å; V424-A439 PolarHBondContact O-N 2.95Å; F437-A439 HydrophobicContact CD1-CB 4.37Å; F437-A439 HydrophobicContact CE1-CB 3.68Å; F437-A439 HydrophobicContact CZ-CB 4.29Å; A439-E441 HydrophobicContact CB-CG 3.63Å; A439-E441 WeakPolarHBondContact CB-OE1 3.49Å; A439-L448 HydrophobicContact CB-CD1 3.64Å; A439-G450 CarbonylContact C-O 3.5Å; A439-G450 WeakPolarHBondContact CA-O 3.44Å; A439-G450 WeakPolarHBondContact CB-O 3.41Å; A439-L451 HydrophobicContact CB-CB 4.3Å
440Y95.6Very high94.2Very high33 Ų3325 Ų2513%0.12913%0.13CC..EExtended strand (participates in β ladder)trans-88.6115161-81.2-72.8000108.2V421 E422 L423 I449 G450 F514 L517 L518V421-Y440 HydrophobicContact CG1-CD1 3.92Å; V421-Y440 HydrophobicContact CG1-CG 4.38Å; E422-Y440 WeakPolarHBondContact O-CA 3.45Å; L423-Y440 HydrophobicContact CB-CD1 4.27Å; L423-Y440 HydrophobicContact CB-CE1 3.79Å; L423-Y440 HydrophobicContact CD1-CE1 4.44Å; L423-Y440 HydrophobicContact CD1-CE2 4.26Å; Y440-I449 WeakPolarHBondContact O-CB 3.42Å; Y440-I449 PolarHBondContact O-N 2.87Å; Y440-G450 PolarHBondContact N-O 3.09Å; Y440-G450 PolarHBondContact O-N 3.24Å; Y440-F514 AromaticContact CD1-CD1 3.97Å; Y440-F514 HydrophobicContact CD1-CD1 3.97Å; Y440-F514 HydrophobicContact CD1-CE1 4.04Å; Y440-F514 HydrophobicContact CD2-CB 4.12Å; Y440-F514 AromaticContact CD2-CD1 3.52Å; Y440-F514 HydrophobicContact CD2-CD1 3.52Å; Y440-F514 HydrophobicContact CD2-CE1 4.39Å; Y440-F514 HydrophobicContact CD2-CG 4.24Å; Y440-F514 HydrophobicContact CE1-CD1 4.35Å; Y440-F514 HydrophobicContact CE1-CE1 4.48Å; Y440-F514 AromaticContact CE2-CD1 3.95Å; Y440-F514 HydrophobicContact CE2-CD1 3.95Å; Y440-F514 AromaticContact CG-CD1 3.52Å; Y440-F514 HydrophobicContact CG-CD1 3.52Å; Y440-F514 AromaticContact CG-CE1 3.97Å; Y440-F514 HydrophobicContact CG-CE1 3.97Å; Y440-F514 HydrophobicContact CG-CG 4.44Å; Y440-L517 HydrophobicContact CE2-CB 3.73Å; Y440-L517 HydrophobicContact CE2-CD1 4.34Å; Y440-L517 WeakPolarHBondContact OH-CB 3.23Å; Y440-L518 HydrophobicContact CD2-CD1 4.31Å; Y440-L518 HydrophobicContact CD2-CD2 3.87Å; Y440-L518 HydrophobicContact CD2-CG 3.78Å; Y440-L518 HydrophobicContact CE2-CD2 4.09Å; Y440-L518 HydrophobicContact CE2-CG 3.94Å
441E94.3Very high94.3Very high1 Ų125 Ų251%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-132154.1-174.6-56.8-177.4-178.500109.9R405 V421 E422 V424 R426 A439 P443 I447 L448R405-E441 IonicContact CZ-OE1 3.45Å; R405-E441 IonicContact CZ-OE2 3.03Å; R405-E441 VanDerWaalsContact NH1-CD 3.34Å; R405-E441 IonicContact NH1-OE1 2.68Å; R405-E441 PolarHBondContact NH1-OE1 3.21Å; R405-E441 IonicContact NH1-OE2 3.11Å; R405-E441 PolarHBondContact NH1-OE2 2.93Å; R405-E441 IonicContact NH2-OE1 2.97Å; R405-E441 PolarHBondContact NH2-OE1 2.57Å; R405-E441 IonicContact NH2-OE2 3.4Å; V421-E441 WeakPolarHBondContact CA-O 3.49Å; E422-E441 PolarHBondContact N-O 3.21Å; E422-E441 PolarHBondContact O-N 2.98Å; V424-E441 HydrophobicContact CG2-CB 4.14Å; V424-E441 HydrophobicContact CG2-CG 4.48Å; R426-E441 IonicContact CZ-OE1 3.33Å; R426-E441 IonicContact CZ-OE2 3.39Å; R426-E441 IonicContact NH1-OE1 2.96Å; R426-E441 PolarHBondContact NH1-OE1 2.82Å; R426-E441 IonicContact NH1-OE2 3.55Å; R426-E441 PolarHBondContact NH1-OE2 3.07Å; R426-E441 IonicContact NH2-OE1 3.58Å; R426-E441 IonicContact NH2-OE2 2.7Å; R426-E441 PolarHBondContact NH2-OE2 3.11Å; A439-E441 HydrophobicContact CB-CG 3.63Å; A439-E441 WeakPolarHBondContact CB-OE1 3.49Å; E441-P443 WeakPolarHBondContact O-CD 3.42Å; E441-I447 CarbonylContact C-O 3.49Å; E441-I447 WeakPolarHBondContact CA-O 3.23Å; E441-L448 HydrophobicContact CG-CD1 3.61Å
442D93.1Very high94.4Very high0 Ų024.7 Ų24.70%013%0.128CC..EExtended strand (participates in β ladder)trans-90.8102.7156.5-173-43.8000107.2P418 Y419 Q420 Y444 Q445 D446 I447P418-D442 HydrophobicContact CB-CB 3.85Å; Y419-D442 PolarHBondContact N-OD2 3.39Å; Q420-D442 PolarHBondContact N-OD2 3.1Å; Q420-D442 VanDerWaalsContact O-CA 3.29Å; Q420-D442 WeakPolarHBondContact O-CA 3.18Å; D442-Y444 PolarHBondContact O-N 3.2Å; D442-Y444 PolarHBondContact OD1-N 3.2Å; D442-Y444 VanDerWaalsContact OD1-N 3.1Å; D442-Q445 HydrophobicContact CB-CB 4.4Å; D442-Q445 PolarHBondContact O-N 3.4Å; D442-Q445 PolarHBondContact OD1-N 2.87Å; D442-Q445 PolarHBondContact OD2-OE1 3.08Å; D442-D446 VanDerWaalsContact O-CA 3.26Å; D442-D446 WeakPolarHBondContact O-CA 3.35Å; D442-D446 PolarHBondContact O-N 3.41Å; D442-I447 HydrophobicContact CB-CB 4.15Å; D442-I447 PolarHBondContact N-O 3.26Å; D442-I447 PolarHBondContact O-N 2.85Å
443P91.1Very high94.8Very high53 Ų5322 Ų2234%0.34410%0.099SC..THydrogen-bonded Turntrans-71-21.2-173.828.2-34000112.8E441E441-P443 WeakPolarHBondContact O-CD 3.42Å
444Y90.6Very high95.1Very high151 Ų15121.6 Ų21.659%0.59210%0.095SC*.THydrogen-bonded Turntrans-79.6-35.4179.7-61.1-83000111.5Y419 Q420 D442Y419-Y444 VanDerWaalsContact OH-CB 3.27Å; Y419-Y444 WeakPolarHBondContact OH-CB 3.48Å; Q420-Y444 HydrophobicContact CB-CD2 4.33Å; Q420-Y444 HydrophobicContact CG-CD2 4.36Å; Q420-Y444 HydrophobicContact CG-CE2 4.09Å; D442-Y444 PolarHBondContact O-N 3.2Å; D442-Y444 PolarHBondContact OD1-N 3.2Å; D442-Y444 VanDerWaalsContact OD1-N 3.1Å
445Q89.8Confident95.2Very high68 Ų6816.4 Ų16.432%0.3188%0.076SC..THydrogen-bonded Turntrans-99.5-2.6177.6-57.6-171.2-48.300113.7V416 K417 Y419 D442 I447V416-Q445 VanDerWaalsContact CG1-NE2 3.33Å; K417-Q445 PolarHBondContact O-OE1 2.95Å; Y419-Q445 VanDerWaalsContact CD1-CD 3.47Å; Y419-Q445 HydrophobicContact CD1-CG 4.11Å; Y419-Q445 VanDerWaalsContact CE1-CD 3.45Å; Y419-Q445 HydrophobicContact CE1-CG 3.6Å; D442-Q445 HydrophobicContact CB-CB 4.4Å; D442-Q445 PolarHBondContact O-N 3.4Å; D442-Q445 PolarHBondContact OD1-N 2.87Å; D442-Q445 PolarHBondContact OD2-OE1 3.08Å; Q445-I447 VanDerWaalsContact C-N 3.27Å; Q445-I447 HydrophobicContact CB-CD1 3.68Å; Q445-I447 HydrophobicContact CB-CG1 3.74Å; Q445-I447 PolarHBondContact O-N 2.88Å
446D91.8Very high95.1Very high34 Ų3419.7 Ų19.718%0.1829%0.09CC..THydrogen-bonded Turntrans52.641.4-173.8-153.826.6000112.8R400 R405 D442R400-D446 IonicContact CZ-OD1 3.68Å; R400-D446 IonicContact CZ-OD2 3.92Å; R400-D446 IonicContact NE-OD1 2.83Å; R400-D446 IonicContact NE-OD2 3.05Å; R400-D446 PolarHBondContact NE-OD2 3.26Å; R400-D446 IonicContact NH2-OD1 2.96Å; R400-D446 PolarHBondContact NH2-OD1 2.88Å; R400-D446 IonicContact NH2-OD2 3.91Å; R405-D446 VanDerWaalsContact CB-O 3.3Å; R405-D446 WeakPolarHBondContact CB-O 3.47Å; R405-D446 WeakPolarHBondContact CD-OD1 3.37Å; R405-D446 WeakPolarHBondContact CD-OD2 3.32Å; R405-D446 WeakPolarHBondContact CG-O 3.42Å; R405-D446 IonicContact CZ-OD1 3.11Å; R405-D446 IonicContact NE-OD1 3.13Å; R405-D446 IonicContact NH1-OD1 3.67Å; R405-D446 PolarHBondContact NH1-OD1 3.47Å; D442-D446 VanDerWaalsContact O-CA 3.26Å; D442-D446 WeakPolarHBondContact O-CA 3.35Å; D442-D446 PolarHBondContact O-N 3.41Å
447I92.5Very high94.9Very high1 Ų119.9 Ų19.91%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-100.6126-179.1-58.2175.9000110.1R405 V407 Q410 V416 P418 E441 D442 Q445R405-I447 CarbonylContact O-C 3.55Å; R405-I447 WeakPolarHBondContact O-CA 3.26Å; V407-I447 HydrophobicContact CB-CG2 3.75Å; V407-I447 HydrophobicContact CG2-CG2 4Å; Q410-I447 HydrophobicContact CG-CG1 4.3Å; V416-I447 HydrophobicContact CB-CD1 4.24Å; V416-I447 HydrophobicContact CG1-CD1 3.67Å; P418-I447 HydrophobicContact CB-CD1 4.44Å; P418-I447 HydrophobicContact CB-CG2 4.36Å; E441-I447 CarbonylContact C-O 3.49Å; E441-I447 WeakPolarHBondContact CA-O 3.23Å; D442-I447 HydrophobicContact CB-CB 4.15Å; D442-I447 PolarHBondContact N-O 3.26Å; D442-I447 PolarHBondContact O-N 2.85Å; Q445-I447 VanDerWaalsContact C-N 3.27Å; Q445-I447 HydrophobicContact CB-CD1 3.68Å; Q445-I447 HydrophobicContact CB-CG1 3.74Å; Q445-I447 PolarHBondContact O-N 2.88Å
448L93.3Very high94.6Very high0 Ų020.4 Ų20.40%010%0.095CC..EExtended strand (participates in β ladder)trans-97.4121.5177.9177.163.7000111.5V402 R405 V407 A439 E441 G450 L451 Y495V402-L448 HydrophobicContact CB-CD2 4.35Å; V402-L448 HydrophobicContact CG1-CD2 3.66Å; R405-L448 HydrophobicContact CB-CB 3.88Å; R405-L448 PolarHBondContact O-N 3.09Å; V407-L448 PolarHBondContact N-O 2.64Å; A439-L448 HydrophobicContact CB-CD1 3.64Å; E441-L448 HydrophobicContact CG-CD1 3.61Å; L448-G450 WeakPolarHBondContact CD1-O 3.27Å; L448-L451 HydrophobicContact CD1-CB 4.36Å; L448-L451 HydrophobicContact CD2-CD2 4Å; L448-Y495 HydrophobicContact CD2-CD2 4.21Å; L448-Y495 HydrophobicContact CD2-CE2 3.64Å; L448-Y495 HydrophobicContact CG-CD2 4.02Å; L448-Y495 HydrophobicContact CG-CE2 3.93Å
449I91.8Very high94.2Very high0 Ų023.9 Ų23.90%011%0.113CC..EExtended strand (participates in β ladder)trans-95.8-45178.6-66.2165.9000111.1P418 V421 Y440 V494 Y495 F509 F514P418-I449 HydrophobicContact CB-CD1 4.1Å; P418-I449 HydrophobicContact CG-CD1 3.86Å; P418-I449 HydrophobicContact CG-CG1 4.2Å; V421-I449 HydrophobicContact CB-CD1 4.04Å; V421-I449 HydrophobicContact CG1-CD1 3.58Å; V421-I449 HydrophobicContact CG2-CD1 3.23Å; Y440-I449 WeakPolarHBondContact O-CB 3.42Å; Y440-I449 PolarHBondContact O-N 2.87Å; I449-V494 HydrophobicContact CG2-CG1 4.5Å; I449-Y495 WeakPolarHBondContact O-CA 3.39Å; I449-Y495 WeakPolarHBondContact O-CB 3.46Å; I449-Y495 PolarHBondContact O-N 3.24Å; I449-F509 HydrophobicContact CD1-CD1 4.2Å; I449-F509 HydrophobicContact CD1-CE1 4.11Å; I449-F509 HydrophobicContact CG1-CD1 4.41Å; I449-F509 HydrophobicContact CG2-CB 3.82Å; I449-F509 HydrophobicContact CG2-CD1 3.95Å; I449-F509 HydrophobicContact CG2-CG 4Å; I449-F514 HydrophobicContact CG2-CD2 3.79Å; I449-F514 HydrophobicContact CG2-CE2 3.88Å; I449-F514 HydrophobicContact CG2-CG 4.33Å; I449-F514 HydrophobicContact CG2-CZ 4.46Å
450G93.5Very high93.8Very high0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-159.3154.8178.500000111.5A439 Y440 L448 H493A439-G450 CarbonylContact C-O 3.5Å; A439-G450 WeakPolarHBondContact CA-O 3.44Å; A439-G450 WeakPolarHBondContact CB-O 3.41Å; Y440-G450 PolarHBondContact N-O 3.09Å; Y440-G450 PolarHBondContact O-N 3.24Å; L448-G450 WeakPolarHBondContact CD1-O 3.27Å; G450-H493 CarbonylContact C-O 3.53Å; G450-H493 WeakPolarHBondContact CA-O 3.44Å
451L97.3Very high93.7Very high0 Ų027.9 Ų27.90%013%0.134CC..EExtended strand (participates in β ladder)trans-136.4156.9179.869.180.9000111.9V402 F437 L438 A439 L448 R453 E491 H493 Y495V402-L451 HydrophobicContact CG1-CD2 3.68Å; V402-L451 HydrophobicContact CG2-CD2 4.29Å; F437-L451 HydrophobicContact CE2-CB 3.96Å; F437-L451 HydrophobicContact CE2-CD1 4.2Å; F437-L451 HydrophobicContact CE2-CD2 3.88Å; F437-L451 HydrophobicContact CE2-CG 4.25Å; F437-L451 HydrophobicContact CZ-CB 3.78Å; F437-L451 HydrophobicContact CZ-CD2 3.91Å; F437-L451 HydrophobicContact CZ-CG 4.38Å; L438-L451 CarbonylContact O-C 3.54Å; L438-L451 VanDerWaalsContact O-CA 3.25Å; L438-L451 WeakPolarHBondContact O-CA 3.42Å; A439-L451 HydrophobicContact CB-CB 4.3Å; L448-L451 HydrophobicContact CD1-CB 4.36Å; L448-L451 HydrophobicContact CD2-CD2 4Å; L451-R453 HydrophobicContact CD1-CG 4.49Å; L451-E491 HydrophobicContact CD1-CB 4.31Å; L451-E491 HydrophobicContact CD1-CG 3.71Å; L451-H493 PolarHBondContact N-O 3.44Å; L451-H493 PolarHBondContact O-N 3.26Å; L451-Y495 HydrophobicContact CD2-CE2 3.93Å; L451-Y495 WeakPolarHBondContact CD2-OH 3.27Å; L451-Y495 HydrophobicContact CG-CE2 4.25Å
452L98.4Very high93.6Very high0 Ų029.6 Ų29.60%014%0.141CC..EExtended strand (participates in β ladder)trans-136.9136.8168.4-179150.4000109.8L438 L454 V489 E491 L492 L518 M519 A522L438-L452 HydrophobicContact CB-CB 4.41Å; L438-L452 HydrophobicContact CD1-CD2 4.2Å; L438-L452 PolarHBondContact N-O 2.9Å; L438-L452 PolarHBondContact O-N 3.23Å; L452-L454 HydrophobicContact CD2-CB 3.78Å; L452-V489 HydrophobicContact CD1-CG1 3.86Å; L452-V489 HydrophobicContact CD1-CG2 4.19Å; L452-V489 HydrophobicContact CD2-CG1 4.31Å; L452-V489 HydrophobicContact CD2-CG2 4.36Å; L452-V489 HydrophobicContact CG-CG1 3.83Å; L452-E491 CarbonylContact C-O 3.59Å; L452-E491 VanDerWaalsContact CA-O 3.23Å; L452-E491 WeakPolarHBondContact CA-O 3.07Å; L452-L492 HydrophobicContact CB-CD1 4.25Å; L452-L492 HydrophobicContact CD1-CD1 4.19Å; L452-L518 HydrophobicContact CB-CB 4.07Å; L452-L518 HydrophobicContact CB-CD1 4.39Å; L452-L518 HydrophobicContact CB-CD2 4.27Å; L452-L518 HydrophobicContact CB-CG 4.48Å; L452-L518 HydrophobicContact CD1-CB 4.16Å; L452-M519 HydrophobicContact CD1-CG 4.39Å; L452-M519 HydrophobicContact CD1-SD 3.58Å; L452-M519 VanDerWaalsContact CD1-SD 3.58Å; L452-A522 HydrophobicContact CD1-CB 3.83Å; L452-A522 HydrophobicContact CD2-CB 3.73Å; L452-A522 HydrophobicContact CG-CB 4.48Å
453R98.5Very high93.7Very high2 Ų231.3 Ų31.31%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-106.6111170.5-65.4-179.2-167.1-87.4-13.9109.6D314 W360 Y428 F437 L451 V489 R490 E491D314-R453 PolarHBondContact O-NH2 2.73Å; D314-R453 WeakPolarHBondContact OD1-CD 3.46Å; D314-R453 IonicContact OD1-CZ 2.71Å; D314-R453 IonicContact OD1-NE 2.8Å; D314-R453 IonicContact OD1-NH1 2.77Å; D314-R453 PolarHBondContact OD1-NH1 3.46Å; W360-R453 VanDerWaalsContact O-CZ 3.24Å; W360-R453 PolarHBondContact O-NH1 3.32Å; W360-R453 PolarHBondContact O-NH2 3.32Å; Y428-R453 PolarHBondContact OH-NH1 2.87Å; F437-R453 HydrophobicContact CD2-CG 4.06Å; L451-R453 HydrophobicContact CD1-CG 4.49Å; R453-V489 CarbonylContact O-C 3.57Å; R453-V489 WeakPolarHBondContact O-CA 3.28Å; R453-R490 HydrophobicContact CB-CB 4.17Å; R453-R490 PolarHBondContact O-N 3.02Å; R453-E491 HydrophobicContact CB-CB 4.14Å; R453-E491 WeakPolarHBondContact CD-OE2 2.97Å; R453-E491 HydrophobicContact CG-CB 4.05Å; R453-E491 IonicContact CZ-OE2 2.94Å; R453-E491 PolarHBondContact N-O 3.43Å; R453-E491 IonicContact NE-OE2 3.88Å; R453-E491 PolarHBondContact NE-OE2 3.4Å; R453-E491 IonicContact NH2-OE2 3.65Å
454L98.7Very high93.7Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-103.6130.7173-175.468000108.8T436 L452 V489 A522 I525 A526 I535T436-L454 PolarHBondContact N-O 3.22Å; T436-L454 PolarHBondContact O-N 3.32Å; L452-L454 HydrophobicContact CD2-CB 3.78Å; L454-V489 HydrophobicContact CD1-CG2 3.89Å; L454-A522 HydrophobicContact CD1-CB 4.39Å; L454-A522 HydrophobicContact CD2-CB 4.31Å; L454-A522 WeakPolarHBondContact CD2-O 3.4Å; L454-I525 HydrophobicContact CD2-CB 4.03Å; L454-I525 HydrophobicContact CD2-CG2 3.81Å; L454-A526 HydrophobicContact CD2-CB 4.42Å; L454-I535 HydrophobicContact CD1-CD1 4.02Å
455R98.1Very high94Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-115.6132.4172.8178.1179.9-178.580.4-1.5109.8K276 D277 A430 N431 W434 E435 C457 S487 I488 R490K276-R455 WeakPolarHBondContact O-CD 3.43Å; D277-R455 IonicContact OD1-CZ 2.81Å; D277-R455 IonicContact OD1-NE 3.93Å; D277-R455 PolarHBondContact OD1-NE 3.42Å; D277-R455 IonicContact OD1-NH2 3.58Å; D277-R455 PolarHBondContact OD1-NH2 3.41Å; A430-R455 PolarHBondContact O-NH1 3.02Å; N431-R455 PolarHBondContact O-NH2 2.94Å; W434-R455 CarbonylContact O-C 3.56Å; W434-R455 WeakPolarHBondContact O-CA 3.19Å; E435-R455 VanDerWaalsContact OE1-CD 3.24Å; E435-R455 WeakPolarHBondContact OE1-CD 2.97Å; E435-R455 WeakPolarHBondContact OE1-CG 3.11Å; E435-R455 IonicContact OE1-CZ 3.31Å; E435-R455 IonicContact OE1-NE 3.14Å; E435-R455 IonicContact OE1-NH1 2.98Å; E435-R455 PolarHBondContact OE1-NH1 2.92Å; R455-C457 PolarHBondContact O-N 3.27Å; R455-S487 CarbonylContact O-C 3.6Å; R455-S487 VanDerWaalsContact O-CA 3.26Å; R455-S487 WeakPolarHBondContact O-CA 3.38Å; R455-I488 HydrophobicContact CB-CG2 3.99Å; R455-I488 PolarHBondContact N-O 3.16Å; R455-I488 PolarHBondContact O-N 3.08Å; R455-R490 HydrophobicContact CB-CG 4.22Å
456K97.1Very high94.2Very high69 Ų6923.7 Ų23.730%0.312%0.121SC..EExtended strand (participates in β ladder)trans-74117.8160-174.4175.7175.2168.60107.8W434 S458 H530W434-K456 HydrophobicContact CB-CB 4.07Å; W434-K456 PolarHBondContact O-N 3.41Å; K456-S458 PolarHBondContact O-N 3.47Å; K456-H530 HydrophobicContact CB-CB 4.39Å; K456-H530 HydrophobicContact CD-CB 3.97Å; K456-H530 VanDerWaalsContact CE-O 3.31Å; K456-H530 WeakPolarHBondContact CE-O 3.44Å; K456-H530 HydrophobicContact CG-CB 4.09Å; K456-H530 PolarHBondContact NZ-O 3.3Å
457C92.9Very high94.3Very high5 Ų524.5 Ų24.53%0.03413%0.125CC..PPolyproline II helixtrans-57.5133.2-179.4-69.70000110.1R455 T461 P484 C486R455-C457 PolarHBondContact O-N 3.27Å; C457-T461 HydrophobicContact CB-CG2 4.31Å; C457-T461 WeakPolarHBondContact CB-OG1 3.27Å; C457-P484 HydrophobicContact CB-CB 3.96Å; C457-P484 HydrophobicContact CB-CG 3.48Å; C457-P484 VanDerWaalsContact CB-CG 3.48Å; C457-P484 WeakPolarHBondContact O-CG 3.45Å; C457-C486 WeakPolarHBondContact CB-O 3.48Å; C457-C486 PolarHBondContact N-O 3.06Å; C457-C486 VanDerWaalsContact N-O 3.08Å; C457-C486 PolarHBondContact SG-O 3.36Å; C457-C486 VanDerWaalsContact SG-O 3.36Å
458S92.9Very high94.1Very high11 Ų1125.4 Ų25.48%0.07713%0.13CC..PPolyproline II helixtrans-80.4168178.795.40000111.4H273 D277 G432 K456 Q460 T461H273-S458 PolarHBondContact NE2-OG 2.91Å; D277-S458 PolarHBondContact OD1-N 3.25Å; D277-S458 WeakPolarHBondContact OD2-CB 3.23Å; D277-S458 PolarHBondContact OD2-OG 2.99Å; G432-S458 WeakPolarHBondContact O-CB 3.33Å; K456-S458 PolarHBondContact O-N 3.47Å; S458-Q460 PolarHBondContact O-N 3.07Å; S458-Q460 VanDerWaalsContact O-N 3.12Å; S458-Q460 PolarHBondContact OG-N 3.36Å; S458-Q460 VanDerWaalsContact OG-N 3.1Å; S458-T461 PolarHBondContact N-OG1 2.85Å; S458-T461 WeakPolarHBondContact O-CB 3.42Å; S458-T461 PolarHBondContact O-N 3.42Å; S458-T461 PolarHBondContact O-OG1 2.89Å
459L89.9Confident93.5Very high74 Ų7435.1 Ų35.139%0.38717%0.172SC..THydrogen-bonded Turntrans-59.2-20.8173.7-62.3172.4000113.4T461 D477 N481 D483L459-T461 VanDerWaalsContact C-N 3.25Å; L459-T461 PolarHBondContact O-N 2.82Å; L459-D477 HydrophobicContact CD1-CB 3.91Å; L459-N481 HydrophobicContact CB-CB 4.22Å; L459-N481 WeakPolarHBondContact O-CB 3.42Å; L459-D483 HydrophobicContact CD2-CB 4.37Å
460Q89.3Confident92.4Very high106 Ų10637 Ų3750%0.49518%0.184SC..THydrogen-bonded Turntrans-84.72.7177.3-59.8-170.6-2.700113.6H273 S458 F462H273-Q460 VanDerWaalsContact CE1-CD 3.45Å; H273-Q460 PolarHBondContact CE1-OE1 3.2Å; H273-Q460 PolarHBondContact ND1-OE1 3.17Å; H273-Q460 PolarHBondContact NE2-OE1 2.73Å; S458-Q460 PolarHBondContact O-N 3.07Å; S458-Q460 VanDerWaalsContact O-N 3.12Å; S458-Q460 PolarHBondContact OG-N 3.36Å; S458-Q460 VanDerWaalsContact OG-N 3.1Å; Q460-F462 PolarHBondContact O-N 3.13Å; Q460-F462 VanDerWaalsContact O-N 3.14Å
461T92.3Very high90.9Very high10 Ų1046.1 Ų46.16%0.06123%0.226CC..  trans-58.7118.7176.9-61.20000109.9C457 S458 L459 L466C457-T461 HydrophobicContact CB-CG2 4.31Å; C457-T461 WeakPolarHBondContact CB-OG1 3.27Å; S458-T461 PolarHBondContact N-OG1 2.85Å; S458-T461 WeakPolarHBondContact O-CB 3.42Å; S458-T461 PolarHBondContact O-N 3.42Å; S458-T461 PolarHBondContact O-OG1 2.89Å; L459-T461 VanDerWaalsContact C-N 3.25Å; L459-T461 PolarHBondContact O-N 2.82Å; T461-L466 HydrophobicContact CG2-CB 3.69Å; T461-L466 HydrophobicContact CG2-CD1 4.1Å
462F92.1Very high89.1Confident38 Ų3851 Ų5117%0.16725%0.252CS..  trans-106.1-7.8-171.672.9-87.4000113.7K230 L233 L274 A278 Q460K230-F462 HydrophobicContact CB-CD2 3.9Å; K230-F462 HydrophobicContact CB-CE2 3.77Å; K230-F462 HydrophobicContact CB-CG 4.41Å; K230-F462 HydrophobicContact CB-CZ 4.18Å; K230-F462 HydrophobicContact CD-CB 3.89Å; K230-F462 HydrophobicContact CD-CD1 4.38Å; K230-F462 HydrophobicContact CD-CD2 3.96Å; K230-F462 HydrophobicContact CD-CG 3.81Å; K230-F462 HydrophobicContact CG-CB 4.44Å; K230-F462 HydrophobicContact CG-CD1 4.01Å; K230-F462 HydrophobicContact CG-CD2 3.83Å; K230-F462 HydrophobicContact CG-CE1 4.22Å; K230-F462 HydrophobicContact CG-CE2 4.03Å; K230-F462 HydrophobicContact CG-CG 3.82Å; K230-F462 HydrophobicContact CG-CZ 4.23Å; L233-F462 HydrophobicContact CB-CZ 4.07Å; L233-F462 HydrophobicContact CD1-CE1 4.14Å; L233-F462 HydrophobicContact CD1-CZ 4.17Å; L274-F462 HydrophobicContact CD2-CD1 4.16Å; L274-F462 HydrophobicContact CD2-CE1 4.47Å; A278-F462 HydrophobicContact CB-CE1 4.06Å; A278-F462 HydrophobicContact CB-CZ 4.19Å; Q460-F462 PolarHBondContact O-N 3.13Å; Q460-F462 VanDerWaalsContact O-N 3.14Å
463R94.9Very high87.1Confident35 Ų3556 Ų5613%0.13228%0.279CS..  trans-81.5121-177.5-70.3-58.6-49.6-177.8-0.4109.8S234 L237 A278 E465 L466 Y558S234-R463 PolarHBondContact OG-NH1 2.76Å; L237-R463 HydrophobicContact CD1-CG 4.35Å; A278-R463 HydrophobicContact CB-CG 4.46Å; R463-E465 IonicContact CZ-OE1 3.04Å; R463-E465 IonicContact CZ-OE2 2.6Å; R463-E465 IonicContact NE-OE2 3.77Å; R463-E465 PolarHBondContact NE-OE2 3.5Å; R463-E465 VanDerWaalsContact NE-OE2 3.11Å; R463-E465 VanDerWaalsContact NH2-CD 3.29Å; R463-E465 IonicContact NH2-OE1 2.78Å; R463-E465 PolarHBondContact NH2-OE1 3.46Å; R463-E465 IonicContact NH2-OE2 3.69Å; R463-E465 PolarHBondContact NH2-OE2 3.48Å; R463-E465 PolarHBondContact O-N 2.89Å; R463-L466 HydrophobicContact CB-CB 4.3Å; R463-L466 HydrophobicContact CB-CD1 3.98Å; R463-L466 HydrophobicContact CB-CG 3.92Å; R463-L466 HydrophobicContact CG-CD1 4.47Å; R463-L466 PolarHBondContact O-N 3.13Å; R463-Y558 HydrophobicContact CB-CE2 4.36Å; R463-Y558 HydrophobicContact CG-CE2 4.45Å
464P93.1Very high85.2Confident88 Ų8862.7 Ų62.757%0.57132%0.315SS*.G310 helixtrans-61.7-31.4-176.524.8-34000112.4L466 I467P464-L466 PolarHBondContact O-N 3.32Å; P464-I467 PolarHBondContact O-N 2.97Å
465E95.2Very high83.4Confident25 Ų2566.1 Ų66.112%0.11733%0.333CS..G310 helixtrans-66.9-17.6177.4-53.392.3157.900112.8R463 K534 E555 P557 Y558R463-E465 IonicContact CZ-OE1 3.04Å; R463-E465 IonicContact CZ-OE2 2.6Å; R463-E465 IonicContact NE-OE2 3.77Å; R463-E465 PolarHBondContact NE-OE2 3.5Å; R463-E465 VanDerWaalsContact NE-OE2 3.11Å; R463-E465 VanDerWaalsContact NH2-CD 3.29Å; R463-E465 IonicContact NH2-OE1 2.78Å; R463-E465 PolarHBondContact NH2-OE1 3.46Å; R463-E465 IonicContact NH2-OE2 3.69Å; R463-E465 PolarHBondContact NH2-OE2 3.48Å; R463-E465 PolarHBondContact O-N 2.89Å; E465-K534 VanDerWaalsContact O-CE 3.28Å; E465-K534 WeakPolarHBondContact O-CE 3.27Å; E465-K534 PolarHBondContact O-NZ 2.87Å; E465-E555 HydrophobicContact CB-CG 4.44Å; E465-E555 HydrophobicContact CG-CG 4.25Å; E465-P557 WeakPolarHBondContact OE1-CD 3.43Å; E465-Y558 HydrophobicContact CB-CD2 3.86Å; E465-Y558 HydrophobicContact CB-CE2 4.28Å; E465-Y558 HydrophobicContact CG-CD2 4.42Å
466L95.4Very high81.6Confident0 Ų068.6 Ų68.60%035%0.346CS..G310 helixtrans-101.2-2.3179.5-56.4-175.3000112.9D277 T461 R463 P464 P484 C486 I488 A536 Y558D277-L466 VanDerWaalsContact O-CD1 3.3Å; D277-L466 WeakPolarHBondContact O-CD1 3.28Å; T461-L466 HydrophobicContact CG2-CB 3.69Å; T461-L466 HydrophobicContact CG2-CD1 4.1Å; R463-L466 HydrophobicContact CB-CB 4.3Å; R463-L466 HydrophobicContact CB-CD1 3.98Å; R463-L466 HydrophobicContact CB-CG 3.92Å; R463-L466 HydrophobicContact CG-CD1 4.47Å; R463-L466 PolarHBondContact O-N 3.13Å; P464-L466 PolarHBondContact O-N 3.32Å; L466-P484 WeakPolarHBondContact O-CB 3.36Å; L466-C486 WeakPolarHBondContact O-CB 3.44Å; L466-I488 HydrophobicContact CD1-CD1 3.83Å; L466-I488 HydrophobicContact CD2-CD1 3.99Å; L466-A536 HydrophobicContact CD2-CB 3.39Å; L466-Y558 HydrophobicContact CD1-CE2 4.27Å; L466-Y558 HydrophobicContact CD2-CD1 4.45Å; L466-Y558 HydrophobicContact CD2-CD2 4Å; L466-Y558 HydrophobicContact CD2-CE1 4.49Å; L466-Y558 HydrophobicContact CD2-CE2 4.03Å; L466-Y558 HydrophobicContact CD2-CG 4.21Å; L466-Y558 HydrophobicContact CG-CD2 4.42Å; L466-Y558 HydrophobicContact CG-CE2 4Å
467I93Very high80Confident51 Ų5167.6 Ų67.626%0.26234%0.344SS..SBendtrans-103.5125.8177.1-59167.8000107.5P464 P484 K534P464-I467 PolarHBondContact O-N 2.97Å; I467-P484 HydrophobicContact CG1-CB 4.36Å; I467-K534 PolarHBondContact O-NZ 2.92Å
468V88.8Confident78.5Confident20 Ų2075.1 Ų75.112%0.12139%0.39CS..  trans-80.8125.2172.6179.50000108.4T470 P484 R485 L533 K534V468-T470 HydrophobicContact CG1-CG2 4.4Å; V468-T470 PolarHBondContact O-N 3.3Å; V468-T470 VanDerWaalsContact O-N 3.16Å; V468-P484 WeakPolarHBondContact CG2-O 3.45Å; V468-P484 PolarHBondContact N-O 3.44Å; V468-R485 HydrophobicContact CB-CB 4.39Å; V468-R485 HydrophobicContact CG2-CB 4.34Å; V468-L533 HydrophobicContact CG1-CD1 4.2Å; V468-L533 HydrophobicContact CG2-CB 4.38Å; V468-K534 HydrophobicContact CG2-CB 3.77Å; V468-K534 HydrophobicContact CG2-CD 4.41Å
469K79.9Confident77Confident203 Ų20382 Ų8288%0.88342%0.421SS*.  trans-73.1107.4175.3-65.8-178.7-179.6179.40109.1
470T69.8Low75.8Confident40 Ų4080.7 Ų80.725%0.24543%0.425CS..  trans-104.4147.4169.755.10000109.9V468 N472V468-T470 HydrophobicContact CG1-CG2 4.4Å; V468-T470 PolarHBondContact O-N 3.3Å; V468-T470 VanDerWaalsContact O-N 3.16Å; T470-N472 VanDerWaalsContact C-N 3.33Å; T470-N472 PolarHBondContact OG1-O 3.38Å
471H61.2Low75Confident192 Ų19278.6 Ų78.689%0.88942%0.417SS*.SBendtrans-80-16.4175.1-74.3-68.6000113
472N59Low74.1Confident102 Ų10281.7 Ų81.755%0.54543%0.43SS..  trans-93.2128.8-178.3-59.2-0.6000109.2T470 D474T470-N472 VanDerWaalsContact C-N 3.33Å; T470-N472 PolarHBondContact OG1-O 3.38Å; N472-D474 VanDerWaalsContact C-N 3.3Å
473N56.8Low73.7Confident106 Ų10682.2 Ų82.257%0.56743%0.434SS*.  trans-88.95.7177.1-66.7-28.2000112.5D475 D476 K482N473-D475 PolarHBondContact O-N 2.87Å; N473-D476 PolarHBondContact O-N 3.42Å; N473-K482 PolarHBondContact OD1-NZ 2.75Å
474D58.2Low73.4Confident142 Ų14280.6 Ų80.676%0.75943%0.428SS*.THydrogen-bonded Turntrans-72.2-11.5-169.6-60.8-35.7000114N472N472-D474 VanDerWaalsContact C-N 3.3Å
475D60.7Low73.4Confident71 Ų7179.8 Ų79.838%0.3841%0.414SS..THydrogen-bonded Turntrans-105.814-179.6-48.9-71.2000113.8N473 D483 R485N473-D475 PolarHBondContact O-N 2.87Å; D475-D483 HydrophobicContact CB-CB 4.43Å; D475-R485 IonicContact OD1-NH2 3.66Å; D475-R485 IonicContact OD2-CZ 3.32Å; D475-R485 IonicContact OD2-NE 3.72Å; D475-R485 IonicContact OD2-NH2 2.7Å; D475-R485 PolarHBondContact OD2-NH2 3.47Å
476D61.7Low73.4Confident53 Ų5378.6 Ų78.628%0.28341%0.408SS..BIsolated β-bridgetrans-75.4135.3178-64.91.2000109.2N473 N481 K482N473-D476 PolarHBondContact O-N 3.42Å; D476-N481 WeakPolarHBondContact CA-O 3.47Å; D476-K482 WeakPolarHBondContact OD1-CE 3.41Å; D476-K482 WeakPolarHBondContact OD1-CG 3.12Å; D476-K482 WeakPolarHBondContact OD2-CE 3.47Å
477D63.4Low73.6Confident48 Ų4878.6 Ų78.626%0.25741%0.408SS..  trans-67.5173.6172.475.97.1000111.6L459 Q479 G480 N481L459-D477 HydrophobicContact CD1-CB 3.91Å; D477-Q479 PolarHBondContact O-N 3.33Å; D477-Q479 VanDerWaalsContact OD1-C 3.25Å; D477-Q479 VanDerWaalsContact OD1-CA 3.22Å; D477-Q479 WeakPolarHBondContact OD1-CA 3.3Å; D477-Q479 VanDerWaalsContact OD1-CB 3.26Å; D477-Q479 WeakPolarHBondContact OD1-CB 3.45Å; D477-Q479 PolarHBondContact OD1-N 3.14Å; D477-G480 PolarHBondContact O-N 3.14Å; D477-G480 PolarHBondContact OD1-N 3.04Å; D477-N481 PolarHBondContact N-O 3.02Å; D477-N481 PolarHBondContact OD1-N 2.86Å; D477-N481 WeakPolarHBondContact OD2-CB 3.36Å; D477-N481 PolarHBondContact OD2-ND2 3.07Å
478V60.3Low73.8Confident162 Ų16276.2 Ų76.298%0.98240%0.396SS*.THydrogen-bonded Turntrans-55.3-23177.9-176.90000112.5
479Q61.8Low74.3Confident157 Ų15775.3 Ų75.373%0.73439%0.391SS*.THydrogen-bonded Turntrans-93.2-2.1-179.9-164.156.27000113D477D477-Q479 PolarHBondContact O-N 3.33Å; D477-Q479 VanDerWaalsContact OD1-C 3.25Å; D477-Q479 VanDerWaalsContact OD1-CA 3.22Å; D477-Q479 WeakPolarHBondContact OD1-CA 3.3Å; D477-Q479 VanDerWaalsContact OD1-CB 3.26Å; D477-Q479 WeakPolarHBondContact OD1-CB 3.45Å; D477-Q479 PolarHBondContact OD1-N 3.14Å
480G65.9Low75.2Confident46 Ų4665.9 Ų65.947%0.47435%0.349SS..  trans82.414-177.600000114.4D477D477-G480 PolarHBondContact O-N 3.14Å; D477-G480 PolarHBondContact OD1-N 3.04Å
481N70.9Confident76.5Confident61 Ų6164.7 Ų64.733%0.32634%0.341SS..PPolyproline II helixtrans-80.7123175.5-56.1-51.4000110.2L459 D476 D477L459-N481 HydrophobicContact CB-CB 4.22Å; L459-N481 WeakPolarHBondContact O-CB 3.42Å; D476-N481 WeakPolarHBondContact CA-O 3.47Å; D477-N481 PolarHBondContact N-O 3.02Å; D477-N481 PolarHBondContact OD1-N 2.86Å; D477-N481 WeakPolarHBondContact OD2-CB 3.36Å; D477-N481 PolarHBondContact OD2-ND2 3.07Å
482K73.9Confident78.2Confident75 Ų7557.2 Ų57.233%0.32631%0.307SS..BIsolated β-bridgetrans-70.2136.6175.5-80.2170.1-175.4-139.50111.2N473 D476 P484N473-K482 PolarHBondContact OD1-NZ 2.75Å; D476-K482 WeakPolarHBondContact OD1-CE 3.41Å; D476-K482 WeakPolarHBondContact OD1-CG 3.12Å; D476-K482 WeakPolarHBondContact OD2-CE 3.47Å; K482-P484 VanDerWaalsContact O-CD 3.31Å; K482-P484 WeakPolarHBondContact O-CD 3.16Å; K482-P484 VanDerWaalsContact O-N 3.14Å
483D84Confident79.8Confident50 Ų5053.8 Ų53.827%0.26729%0.288SS..PPolyproline II helixtrans-56.2118.7163.6-174.7-17000108.6L459 D475 R485L459-D483 HydrophobicContact CD2-CB 4.37Å; D475-D483 HydrophobicContact CB-CB 4.43Å; D483-R485 HydrophobicContact CB-CG 4.2Å; D483-R485 PolarHBondContact O-N 2.82Å; D483-R485 VanDerWaalsContact O-N 3.11Å; D483-R485 PolarHBondContact OD1-N 2.91Å
484P89Confident81.4Confident1 Ų149.4 Ų49.41%0.00627%0.265CS..  trans-60.9-21.9179.423.8-33.9000112.9C457 L466 I467 V468 K482 C486C457-P484 HydrophobicContact CB-CB 3.96Å; C457-P484 HydrophobicContact CB-CG 3.48Å; C457-P484 VanDerWaalsContact CB-CG 3.48Å; C457-P484 WeakPolarHBondContact O-CG 3.45Å; L466-P484 WeakPolarHBondContact O-CB 3.36Å; I467-P484 HydrophobicContact CG1-CB 4.36Å; V468-P484 WeakPolarHBondContact CG2-O 3.45Å; V468-P484 PolarHBondContact N-O 3.44Å; K482-P484 VanDerWaalsContact O-CD 3.31Å; K482-P484 WeakPolarHBondContact O-CD 3.16Å; K482-P484 VanDerWaalsContact O-N 3.14Å; P484-C486 HydrophobicContact CB-CB 4.41Å; P484-C486 PolarHBondContact O-N 3.25Å; P484-C486 VanDerWaalsContact O-N 3.09Å
485R93Very high82.6Confident70 Ų7042.9 Ų42.926%0.26423%0.23SC..  trans45.438.5-173-58.8-168.9-175.4-156.45.6112.2V468 D475 D483 S532 L533 K534V468-R485 HydrophobicContact CB-CB 4.39Å; V468-R485 HydrophobicContact CG2-CB 4.34Å; D475-R485 IonicContact OD1-NH2 3.66Å; D475-R485 IonicContact OD2-CZ 3.32Å; D475-R485 IonicContact OD2-NE 3.72Å; D475-R485 IonicContact OD2-NH2 2.7Å; D475-R485 PolarHBondContact OD2-NH2 3.47Å; D483-R485 HydrophobicContact CB-CG 4.2Å; D483-R485 PolarHBondContact O-N 2.82Å; D483-R485 VanDerWaalsContact O-N 3.11Å; D483-R485 PolarHBondContact OD1-N 2.91Å; R485-S532 CarbonylContact O-C 3.58Å; R485-S532 VanDerWaalsContact O-CA 3.3Å; R485-S532 WeakPolarHBondContact O-CA 3.38Å; R485-L533 HydrophobicContact CB-CG 4.42Å; R485-L533 PolarHBondContact O-N 3.21Å; R485-K534 PolarHBondContact O-N 3.45Å
486C95.7Very high83Confident1 Ų139.6 Ų39.61%0.00721%0.213CC..EExtended strand (participates in β ladder)trans-132.9143.2-176.5-170.10000110.5C457 L466 P484 S532 K534C457-C486 WeakPolarHBondContact CB-O 3.48Å; C457-C486 PolarHBondContact N-O 3.06Å; C457-C486 VanDerWaalsContact N-O 3.08Å; C457-C486 PolarHBondContact SG-O 3.36Å; C457-C486 VanDerWaalsContact SG-O 3.36Å; L466-C486 WeakPolarHBondContact O-CB 3.44Å; P484-C486 HydrophobicContact CB-CB 4.41Å; P484-C486 PolarHBondContact O-N 3.25Å; P484-C486 VanDerWaalsContact O-N 3.09Å; C486-S532 VanDerWaalsContact C-OG 3.28Å; C486-K534 VanDerWaalsContact CA-O 3.25Å; C486-K534 WeakPolarHBondContact CA-O 3.29Å; C486-K534 HydrophobicContact CB-CB 4.49Å; C486-K534 PolarHBondContact SG-O 3.27Å
487S97.9Very high82.7Confident0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-113.1148.1167-64.40000109.7R455 H530 S532 K534 I535 A536R455-S487 CarbonylContact O-C 3.6Å; R455-S487 VanDerWaalsContact O-CA 3.26Å; R455-S487 WeakPolarHBondContact O-CA 3.38Å; S487-H530 PolarHBondContact OG-ND1 2.78Å; S487-S532 PolarHBondContact N-OG 3.44Å; S487-S532 PolarHBondContact OG-OG 2.9Å; S487-K534 PolarHBondContact N-O 3.39Å; S487-I535 CarbonylContact O-C 3.57Å; S487-I535 VanDerWaalsContact O-CA 3.29Å; S487-I535 WeakPolarHBondContact O-CA 3.41Å; S487-A536 PolarHBondContact O-N 3.47Å
488I98.4Very high82.1Confident0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-126.1127.4-179.6-174.8159.6000111.4G279 R455 L466 R490 A536 Y558G279-I488 VanDerWaalsContact CA-CD1 3.48Å; R455-I488 HydrophobicContact CB-CG2 3.99Å; R455-I488 PolarHBondContact N-O 3.16Å; R455-I488 PolarHBondContact O-N 3.08Å; L466-I488 HydrophobicContact CD1-CD1 3.83Å; L466-I488 HydrophobicContact CD2-CD1 3.99Å; I488-R490 HydrophobicContact CG2-CG 4.13Å; I488-R490 PolarHBondContact O-N 3.39Å; I488-A536 CarbonylContact C-O 3.58Å; I488-A536 WeakPolarHBondContact CA-O 3.12Å; I488-A536 HydrophobicContact CB-CB 4.2Å; I488-A536 HydrophobicContact CD1-CB 4.17Å; I488-A536 HydrophobicContact CG1-CB 4.02Å; I488-Y558 HydrophobicContact CD1-CD1 3.92Å; I488-Y558 HydrophobicContact CD1-CE1 3.62Å
489V98.7Very high81.6Confident1 Ų130.8 Ų30.81%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-78.7114.7167.3179.10000108.2L452 R453 L454 L492 M519 A522 I535 A536 V537 I538L452-V489 HydrophobicContact CD1-CG1 3.86Å; L452-V489 HydrophobicContact CD1-CG2 4.19Å; L452-V489 HydrophobicContact CD2-CG1 4.31Å; L452-V489 HydrophobicContact CD2-CG2 4.36Å; L452-V489 HydrophobicContact CG-CG1 3.83Å; R453-V489 CarbonylContact O-C 3.57Å; R453-V489 WeakPolarHBondContact O-CA 3.28Å; L454-V489 HydrophobicContact CD1-CG2 3.89Å; V489-L492 HydrophobicContact CG1-CB 4.43Å; V489-M519 HydrophobicContact CG1-SD 4.4Å; V489-M519 HydrophobicContact CG2-CE 4.16Å; V489-M519 HydrophobicContact CG2-SD 4.22Å; V489-A522 HydrophobicContact CG2-CB 4.46Å; V489-I535 HydrophobicContact CG2-CD1 4.03Å; V489-I535 HydrophobicContact CG2-CG1 4.37Å; V489-A536 PolarHBondContact N-O 3.07Å; V489-V537 HydrophobicContact CB-CB 4.32Å; V489-V537 HydrophobicContact CB-CG1 4.04Å; V489-V537 HydrophobicContact CB-CG2 4.02Å; V489-V537 HydrophobicContact CG1-CG1 4.17Å; V489-V537 HydrophobicContact CG2-CG2 4.25Å; V489-I538 VanDerWaalsContact O-CG2 3.25Å; V489-I538 WeakPolarHBondContact O-CG2 3.34Å; V489-I538 PolarHBondContact O-N 2.9Å; V489-I538 VanDerWaalsContact O-N 3.14Å
490R98.3Very high81.1Confident5 Ų525.7 Ų25.72%0.01915%0.148CC..EExtended strand (participates in β ladder)trans-94.7-21.9-175.3-60.9-176.747.4-128.3-20.6113.3G279 F280 D314 E435 R453 R455 I488G279-R490 WeakPolarHBondContact O-CA 3.3Å; G279-R490 VanDerWaalsContact O-CB 3.29Å; G279-R490 WeakPolarHBondContact O-CB 3.19Å; G279-R490 VanDerWaalsContact O-CG 3.31Å; G279-R490 WeakPolarHBondContact O-CG 3.38Å; F280-R490 PolarHBondContact O-NE 3.36Å; F280-R490 VanDerWaalsContact O-NE 3.17Å; F280-R490 PolarHBondContact O-NH2 3.48Å; D314-R490 VanDerWaalsContact CG-NH2 3.28Å; D314-R490 IonicContact OD1-CZ 3.17Å; D314-R490 IonicContact OD1-NH1 3.14Å; D314-R490 PolarHBondContact OD1-NH1 3.37Å; D314-R490 IonicContact OD1-NH2 3.15Å; D314-R490 PolarHBondContact OD1-NH2 3.1Å; D314-R490 IonicContact OD2-CZ 3.81Å; D314-R490 IonicContact OD2-NH1 3.64Å; D314-R490 IonicContact OD2-NH2 2.73Å; D314-R490 PolarHBondContact OD2-NH2 3.02Å; E435-R490 IonicContact OE1-CZ 3.07Å; E435-R490 IonicContact OE1-NH1 3.98Å; E435-R490 PolarHBondContact OE1-NH1 2.99Å; E435-R490 IonicContact OE2-NH1 2.62Å; E435-R490 PolarHBondContact OE2-NH1 3.41Å; R453-R490 HydrophobicContact CB-CB 4.17Å; R453-R490 PolarHBondContact O-N 3.02Å; R455-R490 HydrophobicContact CB-CG 4.22Å; I488-R490 HydrophobicContact CG2-CG 4.13Å; I488-R490 PolarHBondContact O-N 3.39Å
491E97.6Very high80.4Confident16 Ų1627.3 Ų27.38%0.07515%0.148CC..EExtended strand (participates in β ladder)trans-156.1136.6176.1-175.9172.8-153.800108.8K281 L451 L452 R453 H493K281-E491 HydrophobicContact CD-CB 4.32Å; K281-E491 VanDerWaalsContact CD-CD 3.42Å; K281-E491 HydrophobicContact CD-CG 4.24Å; K281-E491 WeakPolarHBondContact CD-OE2 3.25Å; K281-E491 IonicContact NZ-OE1 3.05Å; K281-E491 PolarHBondContact NZ-OE1 3.04Å; K281-E491 IonicContact NZ-OE2 3.69Å; L451-E491 HydrophobicContact CD1-CB 4.31Å; L451-E491 HydrophobicContact CD1-CG 3.71Å; L452-E491 CarbonylContact C-O 3.59Å; L452-E491 VanDerWaalsContact CA-O 3.23Å; L452-E491 WeakPolarHBondContact CA-O 3.07Å; R453-E491 HydrophobicContact CB-CB 4.14Å; R453-E491 WeakPolarHBondContact CD-OE2 2.97Å; R453-E491 HydrophobicContact CG-CB 4.05Å; R453-E491 IonicContact CZ-OE2 2.94Å; R453-E491 PolarHBondContact N-O 3.43Å; R453-E491 IonicContact NE-OE2 3.88Å; R453-E491 PolarHBondContact NE-OE2 3.4Å; R453-E491 IonicContact NH2-OE2 3.65Å; E491-H493 HydrophobicContact CG-CB 4.49Å
492L96.5Very high79.1Confident34 Ų3429.2 Ų29.218%0.17817%0.172CC..EExtended strand (participates in β ladder)trans-133.7120161.7169.363.7000106.7L452 V489 L518 M519 Y546 Y547L452-L492 HydrophobicContact CB-CD1 4.25Å; L452-L492 HydrophobicContact CD1-CD1 4.19Å; V489-L492 HydrophobicContact CG1-CB 4.43Å; L492-L518 HydrophobicContact CD1-CB 4.1Å; L492-L518 HydrophobicContact CD1-CD1 3.87Å; L492-M519 HydrophobicContact CD2-CG 3.87Å; L492-M519 HydrophobicContact CD2-SD 3.98Å; L492-Y546 HydrophobicContact CD2-CE1 3.71Å; L492-Y547 HydrophobicContact CD2-CE1 4.07Å
493H93.4Very high78Confident30 Ų3027.8 Ų27.814%0.13917%0.174CC..EExtended strand (participates in β ladder)trans-143.4126.8-180-162.3101.9000110.8S86 G450 L451 E491 Y495S86-H493 PolarHBondContact O-CE1 3.41Å; S86-H493 PolarHBondContact O-NE2 3.07Å; G450-H493 CarbonylContact C-O 3.53Å; G450-H493 WeakPolarHBondContact CA-O 3.44Å; L451-H493 PolarHBondContact N-O 3.44Å; L451-H493 PolarHBondContact O-N 3.26Å; E491-H493 HydrophobicContact CG-CB 4.49Å; H493-Y495 AromaticContact CD2-CD1 3.3Å; H493-Y495 WeakPolarHBondContact CD2-CD1 3.29Å; H493-Y495 AromaticContact CD2-CE1 3.15Å; H493-Y495 WeakPolarHBondContact CD2-CE1 3.2Å; H493-Y495 AromaticContact CD2-CG 3.84Å; H493-Y495 AromaticContact CD2-CZ 3.65Å; H493-Y495 AromaticContact CG-CE1 3.96Å; H493-Y495 AromaticContact NE2-CD1 3.48Å; H493-Y495 WeakPolarHBondContact NE2-CD1 3.25Å; H493-Y495 AromaticContact NE2-CE1 3.5Å; H493-Y495 WeakPolarHBondContact NE2-CE1 3.48Å
494V89.6Confident76.3Confident15 Ų1535.7 Ų35.79%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-110.3118.1171-1750000108.3I449 Q510 F514I449-V494 HydrophobicContact CG2-CG1 4.5Å; V494-Q510 PolarHBondContact O-NE2 2.91Å; V494-F514 HydrophobicContact CG1-CB 4.46Å; V494-F514 HydrophobicContact CG2-CB 4.36Å
495Y84.6Confident74.5Confident5 Ų538.3 Ų38.32%0.0222%0.215CC..  trans-79.4153.1-179.1-59-71.4000111.4V402 E406 L448 I449 L451 H493V402-Y495 HydrophobicContact CG1-CE2 4.33Å; V402-Y495 VanDerWaalsContact CG1-OH 3.27Å; V402-Y495 WeakPolarHBondContact CG1-OH 3.38Å; E406-Y495 HydrophobicContact CB-CD1 4.41Å; E406-Y495 HydrophobicContact CB-CG 4.33Å; E406-Y495 VanDerWaalsContact CD-CE1 3.42Å; E406-Y495 HydrophobicContact CG-CD1 3.79Å; E406-Y495 HydrophobicContact CG-CD2 4.3Å; E406-Y495 HydrophobicContact CG-CE1 3.9Å; E406-Y495 HydrophobicContact CG-CE2 4.36Å; E406-Y495 HydrophobicContact CG-CG 4.02Å; E406-Y495 VanDerWaalsContact OE1-CD1 3.3Å; E406-Y495 WeakPolarHBondContact OE1-CD1 3.37Å; E406-Y495 WeakPolarHBondContact OE1-CE1 3.4Å; L448-Y495 HydrophobicContact CD2-CD2 4.21Å; L448-Y495 HydrophobicContact CD2-CE2 3.64Å; L448-Y495 HydrophobicContact CG-CD2 4.02Å; L448-Y495 HydrophobicContact CG-CE2 3.93Å; I449-Y495 WeakPolarHBondContact O-CA 3.39Å; I449-Y495 WeakPolarHBondContact O-CB 3.46Å; I449-Y495 PolarHBondContact O-N 3.24Å; L451-Y495 HydrophobicContact CD2-CE2 3.93Å; L451-Y495 WeakPolarHBondContact CD2-OH 3.27Å; L451-Y495 HydrophobicContact CG-CE2 4.25Å; H493-Y495 AromaticContact CD2-CD1 3.3Å; H493-Y495 WeakPolarHBondContact CD2-CD1 3.29Å; H493-Y495 AromaticContact CD2-CE1 3.15Å; H493-Y495 WeakPolarHBondContact CD2-CE1 3.2Å; H493-Y495 AromaticContact CD2-CG 3.84Å; H493-Y495 AromaticContact CD2-CZ 3.65Å; H493-Y495 AromaticContact CG-CE1 3.96Å; H493-Y495 AromaticContact NE2-CD1 3.48Å; H493-Y495 WeakPolarHBondContact NE2-CD1 3.25Å; H493-Y495 AromaticContact NE2-CE1 3.5Å; H493-Y495 WeakPolarHBondContact NE2-CE1 3.48Å
496G68.7Low72.4Confident2 Ų239.8 Ų39.82%0.02123%0.233CC..SBendtrans147.7160.6-174.300000110.3A85 G87 A498A85-G496 CarbonylContact O-C 3.43Å; A85-G496 VanDerWaalsContact O-O 3.13Å; G87-G496 WeakPolarHBondContact CA-O 3.35Å; G87-G496 PolarHBondContact N-O 2.77Å; G87-G496 VanDerWaalsContact N-O 3.15Å; G496-A498 PolarHBondContact O-N 3.09Å
497S55.6Low70.3Confident37 Ų3744.5 Ų44.526%0.25926%0.262SS..  trans-56.8134.2179-36.40000110.5V499 K508S497-V499 WeakPolarHBondContact O-CG2 3.4Å; S497-V499 PolarHBondContact O-N 3.41Å; S497-V499 VanDerWaalsContact O-N 3.1Å; S497-K508 PolarHBondContact OG-NZ 3.36Å
498A51.4Low68.4Low22 Ų2246.9 Ų46.918%0.18227%0.272CS..  trans-59114.7178.200000110.8G496G496-A498 PolarHBondContact O-N 3.09Å
499V49.2Very low66.3Low18 Ų1848.7 Ų48.711%0.10928%0.28CS..  trans-104.8144.4173.8-170.60000108.4S497 V501 A503 D505 K508S497-V499 WeakPolarHBondContact O-CG2 3.4Å; S497-V499 PolarHBondContact O-N 3.41Å; S497-V499 VanDerWaalsContact O-N 3.1Å; V499-V501 PolarHBondContact O-N 3.49Å; V499-A503 HydrophobicContact CG1-CB 3.93Å; V499-A503 WeakPolarHBondContact CG1-O 3.27Å; V499-D505 HydrophobicContact CG1-CB 4.25Å; V499-K508 HydrophobicContact CG2-CB 3.92Å; V499-K508 HydrophobicContact CG2-CG 3.74Å
500P50Low64.1Low51 Ų5150.5 Ų50.533%0.33129%0.288SS..  trans-53135.7172.7-25.834000111.6T162 D164 A502 A503T162-P500 HydrophobicContact CG2-CG 4.42Å; D164-P500 VanDerWaalsContact OD2-CA 3.26Å; D164-P500 WeakPolarHBondContact OD2-CA 3.16Å; P500-A502 PolarHBondContact O-N 2.95Å; P500-A503 HydrophobicContact CB-CB 4.18Å; P500-A503 HydrophobicContact CG-CB 4.46Å; P500-A503 PolarHBondContact O-N 3.28Å
501V51.8Low62.1Low79 Ų7953.1 Ų53.148%0.47930%0.301SS..THydrogen-bonded Turntrans-55-28.1-175.9176.90000112.6D164 V499D164-V501 HydrophobicContact CB-CG2 4.27Å; V499-V501 PolarHBondContact O-N 3.49Å
502A44.8Very low60.6Low102 Ų10256.4 Ų56.484%0.84332%0.316SS*.THydrogen-bonded Turntrans-81.7-25.4177.500000114.2P500 R504P500-A502 PolarHBondContact O-N 2.95Å; A502-R504 PolarHBondContact O-N 3.4Å
503A49.6Very low60Low44 Ų4456.3 Ų56.336%0.36432%0.323SS..  trans-89.3100.4-179.100000109.1V499 P500 D505V499-A503 HydrophobicContact CG1-CB 3.93Å; V499-A503 WeakPolarHBondContact CG1-O 3.27Å; P500-A503 HydrophobicContact CB-CB 4.18Å; P500-A503 HydrophobicContact CG-CB 4.46Å; P500-A503 PolarHBondContact O-N 3.28Å; A503-D505 PolarHBondContact O-N 2.84Å; A503-D505 VanDerWaalsContact O-N 3.12Å
504R48.3Very low59.8Low216 Ų21656 Ų5682%0.81532%0.321SS*.  trans-76.494.7167.9-72.8-175.7175.5-175.8-3.2108.2A502 P506A502-R504 PolarHBondContact O-N 3.4Å; R504-P506 WeakPolarHBondContact O-CD 3.34Å
505D51.3Low60Low57 Ų5755.6 Ų55.631%0.30532%0.321SS..  trans-91.1107.3168.8-172.8-13.8000109.1V499 A503 T507 K508V499-D505 HydrophobicContact CG1-CB 4.25Å; A503-D505 PolarHBondContact O-N 2.84Å; A503-D505 VanDerWaalsContact O-N 3.12Å; D505-T507 PolarHBondContact O-N 2.99Å; D505-T507 WeakPolarHBondContact OD1-CB 3.36Å; D505-T507 WeakPolarHBondContact OD1-CG2 3.42Å; D505-T507 PolarHBondContact OD1-N 3.44Å; D505-T507 PolarHBondContact OD1-OG1 3.24Å; D505-T507 PolarHBondContact OD2-OG1 2.88Å; D505-K508 HydrophobicContact CB-CG 4.26Å; D505-K508 PolarHBondContact O-N 3.03Å; D505-K508 VanDerWaalsContact O-N 3.15Å
506P49Very low60.4Low100 Ų10057.5 Ų57.565%0.64933%0.333SS*.THydrogen-bonded Turntrans-64.8-17.4-178.926.5-33.2000113R504 K508 Q512R504-P506 WeakPolarHBondContact O-CD 3.34Å; P506-K508 PolarHBondContact O-N 3.44Å; P506-Q512 PolarHBondContact O-NE2 3.45Å
507T52Low61.7Low101 Ų10160.7 Ų60.762%0.6235%0.349SS*.THydrogen-bonded Turntrans-75.3-12177.371.80000113D505D505-T507 PolarHBondContact O-N 2.99Å; D505-T507 WeakPolarHBondContact OD1-CB 3.36Å; D505-T507 WeakPolarHBondContact OD1-CG2 3.42Å; D505-T507 PolarHBondContact OD1-N 3.44Å; D505-T507 PolarHBondContact OD1-OG1 3.24Å; D505-T507 PolarHBondContact OD2-OG1 2.88Å
508K57.2Low63.7Low50 Ų5058.9 Ų58.922%0.21734%0.337CS..SBendtrans-105.4125.7-177.3-65.9-70.6-179.8-176.60111.1S497 V499 D505 P506 Q510 H511S497-K508 PolarHBondContact OG-NZ 3.36Å; V499-K508 HydrophobicContact CG2-CB 3.92Å; V499-K508 HydrophobicContact CG2-CG 3.74Å; D505-K508 HydrophobicContact CB-CG 4.26Å; D505-K508 PolarHBondContact O-N 3.03Å; D505-K508 VanDerWaalsContact O-N 3.15Å; P506-K508 PolarHBondContact O-N 3.44Å; K508-Q510 PolarHBondContact O-N 3.36Å; K508-H511 PolarHBondContact O-N 2.95Å
509F54.2Low65.9Low38 Ų3857.9 Ų57.917%0.16733%0.328CS..G310 helixtrans-50.3-33-176.1-64-73.3000114.8V407 P418 I449 H511 Q512 F514V407-F509 HydrophobicContact CG1-CD2 4.14Å; V407-F509 HydrophobicContact CG2-CD2 3.95Å; V407-F509 HydrophobicContact CG2-CE2 3.59Å; V407-F509 HydrophobicContact CG2-CZ 4.37Å; P418-F509 HydrophobicContact CG-CE1 3.84Å; P418-F509 HydrophobicContact CG-CE2 4.11Å; P418-F509 HydrophobicContact CG-CZ 3.36Å; I449-F509 HydrophobicContact CD1-CD1 4.2Å; I449-F509 HydrophobicContact CD1-CE1 4.11Å; I449-F509 HydrophobicContact CG1-CD1 4.41Å; I449-F509 HydrophobicContact CG2-CB 3.82Å; I449-F509 HydrophobicContact CG2-CD1 3.95Å; I449-F509 HydrophobicContact CG2-CG 4Å; F509-H511 PolarHBondContact O-N 3.47Å; F509-Q512 VanDerWaalsContact CD1-OE1 3.3Å; F509-Q512 PolarHBondContact O-N 2.9Å; F509-Q512 VanDerWaalsContact O-N 3.11Å; F509-F514 AromaticContact CD1-CE2 3.98Å; F509-F514 HydrophobicContact CD1-CE2 3.98Å
510Q53.8Low68.2Low38 Ų3862.2 Ų62.218%0.17835%0.347CS..G310 helixtrans-60.4-19179.2-168.6166.174.800113.9V494 K508V494-Q510 PolarHBondContact O-NE2 2.91Å; K508-Q510 PolarHBondContact O-N 3.36Å
511H56.5Low70.5Confident60 Ų6061.7 Ų61.728%0.27834%0.341SS..G310 helixtrans-1094.1179.3-63.4-65.7000114.3K508 F509 G513K508-H511 PolarHBondContact O-N 2.95Å; F509-H511 PolarHBondContact O-N 3.47Å; H511-G513 VanDerWaalsContact C-N 3.28Å; H511-G513 PolarHBondContact O-N 3.31Å
512Q66.2Low72.7Confident86 Ų8658 Ų5840%0.40232%0.318SS..SBendtrans-85.68.4-178.4-68.1-176.6-1300114.1P506 F509 F514P506-Q512 PolarHBondContact O-NE2 3.45Å; F509-Q512 VanDerWaalsContact CD1-OE1 3.3Å; F509-Q512 PolarHBondContact O-N 2.9Å; F509-Q512 VanDerWaalsContact O-N 3.11Å; Q512-F514 VanDerWaalsContact C-N 3.35Å; Q512-F514 HydrophobicContact CB-CD2 3.94Å; Q512-F514 HydrophobicContact CB-CE2 3.73Å; Q512-F514 PolarHBondContact O-N 3.04Å; Q512-F514 VanDerWaalsContact OE1-CE2 3.31Å
513G83.1Confident75.3Confident31 Ų3154.6 Ų54.632%0.3228%0.284SS..SBendtrans83.5-0.7174.300000115.7H511 G515 T516 L517H511-G513 VanDerWaalsContact C-N 3.28Å; H511-G513 PolarHBondContact O-N 3.31Å; G513-G515 PolarHBondContact O-N 2.93Å; G513-G515 VanDerWaalsContact O-N 3.09Å; G513-T516 WeakPolarHBondContact O-CA 3.5Å; G513-T516 WeakPolarHBondContact O-CB 3.45Å; G513-T516 PolarHBondContact O-N 2.97Å; G513-L517 PolarHBondContact O-N 3.14Å; G513-L517 VanDerWaalsContact O-N 3.12Å
514F89.7Confident77.6Confident23 Ų2356.6 Ų56.610%0.10128%0.283CS..Hα-helixtrans-51.8-35.8176.6-68.3-65.9000113.9V421 Y440 I449 V494 F509 Q512 T516 L517 L518V421-F514 HydrophobicContact CG1-CE1 3.85Å; V421-F514 HydrophobicContact CG1-CZ 4.1Å; Y440-F514 AromaticContact CD1-CD1 3.97Å; Y440-F514 HydrophobicContact CD1-CD1 3.97Å; Y440-F514 HydrophobicContact CD1-CE1 4.04Å; Y440-F514 HydrophobicContact CD2-CB 4.12Å; Y440-F514 AromaticContact CD2-CD1 3.52Å; Y440-F514 HydrophobicContact CD2-CD1 3.52Å; Y440-F514 HydrophobicContact CD2-CE1 4.39Å; Y440-F514 HydrophobicContact CD2-CG 4.24Å; Y440-F514 HydrophobicContact CE1-CD1 4.35Å; Y440-F514 HydrophobicContact CE1-CE1 4.48Å; Y440-F514 AromaticContact CE2-CD1 3.95Å; Y440-F514 HydrophobicContact CE2-CD1 3.95Å; Y440-F514 AromaticContact CG-CD1 3.52Å; Y440-F514 HydrophobicContact CG-CD1 3.52Å; Y440-F514 AromaticContact CG-CE1 3.97Å; Y440-F514 HydrophobicContact CG-CE1 3.97Å; Y440-F514 HydrophobicContact CG-CG 4.44Å; I449-F514 HydrophobicContact CG2-CD2 3.79Å; I449-F514 HydrophobicContact CG2-CE2 3.88Å; I449-F514 HydrophobicContact CG2-CG 4.33Å; I449-F514 HydrophobicContact CG2-CZ 4.46Å; V494-F514 HydrophobicContact CG1-CB 4.46Å; V494-F514 HydrophobicContact CG2-CB 4.36Å; F509-F514 AromaticContact CD1-CE2 3.98Å; F509-F514 HydrophobicContact CD1-CE2 3.98Å; Q512-F514 VanDerWaalsContact C-N 3.35Å; Q512-F514 HydrophobicContact CB-CD2 3.94Å; Q512-F514 HydrophobicContact CB-CE2 3.73Å; Q512-F514 PolarHBondContact O-N 3.04Å; Q512-F514 VanDerWaalsContact OE1-CE2 3.31Å; F514-T516 VanDerWaalsContact C-N 3.29Å; F514-T516 PolarHBondContact O-N 3.46Å; F514-L517 HydrophobicContact CD1-CD1 4.48Å; F514-L517 PolarHBondContact O-N 3.31Å; F514-L518 WeakPolarHBondContact O-CB 3.25Å; F514-L518 VanDerWaalsContact O-CG 3.29Å; F514-L518 WeakPolarHBondContact O-CG 3.3Å; F514-L518 PolarHBondContact O-N 3.15Å
515G92.2Very high80Confident8 Ų846.3 Ų46.38%0.08224%0.244CC..Hα-helixtrans-64.4-33.817700000113.2G513 M519 Y546G513-G515 PolarHBondContact O-N 2.93Å; G513-G515 VanDerWaalsContact O-N 3.09Å; G515-M519 VanDerWaalsContact O-CG 3.3Å; G515-M519 WeakPolarHBondContact O-CG 3.43Å; G515-M519 PolarHBondContact O-N 3.45Å; G515-Y546 WeakPolarHBondContact CA-OH 3.38Å; G515-Y546 PolarHBondContact O-OH 3.26Å; G515-Y546 VanDerWaalsContact O-OH 3.06Å
516T93.7Very high82.2Confident44 Ų4443.6 Ų43.627%0.2723%0.229SC..Hα-helixtrans-73.4-46176.1-57.80000109.9G513 F514 L518 M519 E520 Y546 L550G513-T516 WeakPolarHBondContact O-CA 3.5Å; G513-T516 WeakPolarHBondContact O-CB 3.45Å; G513-T516 PolarHBondContact O-N 2.97Å; F514-T516 VanDerWaalsContact C-N 3.29Å; F514-T516 PolarHBondContact O-N 3.46Å; T516-L518 VanDerWaalsContact C-N 3.33Å; T516-L518 PolarHBondContact O-N 3.49Å; T516-M519 WeakPolarHBondContact O-CA 3.44Å; T516-M519 WeakPolarHBondContact O-CB 3.2Å; T516-M519 PolarHBondContact O-N 2.7Å; T516-E520 HydrophobicContact CG2-CG 4.43Å; T516-E520 WeakPolarHBondContact O-CG 3.32Å; T516-E520 PolarHBondContact O-N 3.28Å; T516-Y546 PolarHBondContact N-OH 3.36Å; T516-L550 HydrophobicContact CG2-CD2 3.86Å
517L95.2Very high84.5Confident69 Ų6942.9 Ų42.936%0.36122%0.216SC..Hα-helixtrans-59.2-42.2178.3-64.7173000112.3Y440 G513 F514 M519 E520 E521Y440-L517 HydrophobicContact CE2-CB 3.73Å; Y440-L517 HydrophobicContact CE2-CD1 4.34Å; Y440-L517 WeakPolarHBondContact OH-CB 3.23Å; G513-L517 PolarHBondContact O-N 3.14Å; G513-L517 VanDerWaalsContact O-N 3.12Å; F514-L517 HydrophobicContact CD1-CD1 4.48Å; F514-L517 PolarHBondContact O-N 3.31Å; L517-M519 VanDerWaalsContact C-N 3.3Å; L517-M519 PolarHBondContact O-N 3.45Å; L517-E520 PolarHBondContact O-N 2.97Å; L517-E521 PolarHBondContact O-N 2.69Å
518L97.6Very high86.7Confident0 Ų045.9 Ų45.90%022%0.217CC..Hα-helixtrans-61.4-38.9174.1-74.8167.6000112.1L423 L438 Y440 L452 L492 F514 T516 A522L423-L518 HydrophobicContact CD1-CD2 4.17Å; L438-L518 HydrophobicContact CB-CD2 3.85Å; Y440-L518 HydrophobicContact CD2-CD1 4.31Å; Y440-L518 HydrophobicContact CD2-CD2 3.87Å; Y440-L518 HydrophobicContact CD2-CG 3.78Å; Y440-L518 HydrophobicContact CE2-CD2 4.09Å; Y440-L518 HydrophobicContact CE2-CG 3.94Å; L452-L518 HydrophobicContact CB-CB 4.07Å; L452-L518 HydrophobicContact CB-CD1 4.39Å; L452-L518 HydrophobicContact CB-CD2 4.27Å; L452-L518 HydrophobicContact CB-CG 4.48Å; L452-L518 HydrophobicContact CD1-CB 4.16Å; L492-L518 HydrophobicContact CD1-CB 4.1Å; L492-L518 HydrophobicContact CD1-CD1 3.87Å; F514-L518 WeakPolarHBondContact O-CB 3.25Å; F514-L518 VanDerWaalsContact O-CG 3.29Å; F514-L518 WeakPolarHBondContact O-CG 3.3Å; F514-L518 PolarHBondContact O-N 3.15Å; T516-L518 VanDerWaalsContact C-N 3.33Å; T516-L518 PolarHBondContact O-N 3.49Å; L518-A522 VanDerWaalsContact O-CB 3.31Å; L518-A522 WeakPolarHBondContact O-CB 3.29Å; L518-A522 PolarHBondContact O-N 3.48Å
519M98Very high88.6Confident1 Ų147.3 Ų47.31%0.00523%0.225CC..Hα-helixtrans-69.9-41.1177.6-73.7-62-50.200112L452 V489 L492 G515 T516 L517 E521 A522 E523 V537 Y547 L550 Y552L452-M519 HydrophobicContact CD1-CG 4.39Å; L452-M519 HydrophobicContact CD1-SD 3.58Å; L452-M519 VanDerWaalsContact CD1-SD 3.58Å; V489-M519 HydrophobicContact CG1-SD 4.4Å; V489-M519 HydrophobicContact CG2-CE 4.16Å; V489-M519 HydrophobicContact CG2-SD 4.22Å; L492-M519 HydrophobicContact CD2-CG 3.87Å; L492-M519 HydrophobicContact CD2-SD 3.98Å; G515-M519 VanDerWaalsContact O-CG 3.3Å; G515-M519 WeakPolarHBondContact O-CG 3.43Å; G515-M519 PolarHBondContact O-N 3.45Å; T516-M519 WeakPolarHBondContact O-CA 3.44Å; T516-M519 WeakPolarHBondContact O-CB 3.2Å; T516-M519 PolarHBondContact O-N 2.7Å; L517-M519 VanDerWaalsContact C-N 3.3Å; L517-M519 PolarHBondContact O-N 3.45Å; M519-E521 VanDerWaalsContact C-N 3.33Å; M519-E521 PolarHBondContact O-N 3.4Å; M519-A522 PolarHBondContact O-N 3.4Å; M519-E523 WeakPolarHBondContact O-CB 3.37Å; M519-E523 VanDerWaalsContact O-CG 3.29Å; M519-E523 WeakPolarHBondContact O-CG 3.08Å; M519-E523 PolarHBondContact O-N 3.36Å; M519-V537 HydrophobicContact CE-CG2 3.99Å; M519-Y547 HydrophobicContact CE-CE1 4.47Å; M519-Y547 HydrophobicContact SD-CE1 4.08Å; M519-L550 HydrophobicContact CB-CD1 4.17Å; M519-L550 HydrophobicContact CG-CD1 4.02Å; M519-Y552 HydrophobicContact CE-CE1 4.17Å; M519-Y552 HydrophobicContact CE-CE2 3.95Å; M519-Y552 VanDerWaalsContact CE-CZ 3.46Å; M519-Y552 WeakPolarHBondContact CE-OH 3.44Å
520E97.4Very high90.6Very high109 Ų10946 Ų4651%0.50922%0.219SC..Hα-helixtrans-59.9-45176-72.5172.8179.300111.1T516 L517 E523 R524T516-E520 HydrophobicContact CG2-CG 4.43Å; T516-E520 WeakPolarHBondContact O-CG 3.32Å; T516-E520 PolarHBondContact O-N 3.28Å; L517-E520 PolarHBondContact O-N 2.97Å; E520-E523 PolarHBondContact O-N 3.31Å; E520-R524 PolarHBondContact O-N 2.97Å
521E98.4Very high92.5Very high40 Ų4046.4 Ų46.419%0.18723%0.233CC..Hα-helixtrans-67.2-38.4176.1-178.262.6-174.200112.2L423 L438 L517 M519 E523 R524 I525L423-E521 HydrophobicContact CD2-CG 3.94Å; L438-E521 HydrophobicContact CD1-CB 4.17Å; L438-E521 HydrophobicContact CD1-CG 3.82Å; L438-E521 HydrophobicContact CD2-CG 4.43Å; L517-E521 PolarHBondContact O-N 2.69Å; M519-E521 VanDerWaalsContact C-N 3.33Å; M519-E521 PolarHBondContact O-N 3.4Å; E521-E523 VanDerWaalsContact C-N 3.34Å; E521-E523 PolarHBondContact O-N 3.39Å; E521-R524 WeakPolarHBondContact O-CB 3.48Å; E521-R524 PolarHBondContact O-N 3.04Å; E521-R524 IonicContact OE1-CZ 3.58Å; E521-R524 IonicContact OE1-NE 2.8Å; E521-R524 PolarHBondContact OE1-NE 3.32Å; E521-R524 IonicContact OE1-NH2 2.84Å; E521-R524 PolarHBondContact OE1-NH2 3.48Å; E521-R524 IonicContact OE2-CZ 2.92Å; E521-R524 IonicContact OE2-NE 3.67Å; E521-R524 PolarHBondContact OE2-NE 3.12Å; E521-R524 IonicContact OE2-NH2 3.85Å; E521-I525 HydrophobicContact CG-CD1 3.89Å; E521-I525 WeakPolarHBondContact O-CG1 3.4Å; E521-I525 PolarHBondContact O-N 3.36Å
522A98.6Very high94.4Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-62.4-40.2174.600000112.3L438 L452 L454 V489 L518 M519 A526 I535L438-A522 HydrophobicContact CD1-CB 4.37Å; L452-A522 HydrophobicContact CD1-CB 3.83Å; L452-A522 HydrophobicContact CD2-CB 3.73Å; L452-A522 HydrophobicContact CG-CB 4.48Å; L454-A522 HydrophobicContact CD1-CB 4.39Å; L454-A522 HydrophobicContact CD2-CB 4.31Å; L454-A522 WeakPolarHBondContact CD2-O 3.4Å; V489-A522 HydrophobicContact CG2-CB 4.46Å; L518-A522 VanDerWaalsContact O-CB 3.31Å; L518-A522 WeakPolarHBondContact O-CB 3.29Å; L518-A522 PolarHBondContact O-N 3.48Å; M519-A522 PolarHBondContact O-N 3.4Å; A522-A526 WeakPolarHBondContact O-CB 3.29Å; A522-A526 PolarHBondContact O-N 2.86Å; A522-I535 HydrophobicContact CB-CD1 4.39Å
523E98.6Very high95.8Very high31 Ų3143.3 Ų43.315%0.14522%0.221CC..Hα-helixtrans-64-43.2174.7-73.8176-167.100111.5M519 E520 E521 A526 K527 I535 Y552 K561 L563M519-E523 WeakPolarHBondContact O-CB 3.37Å; M519-E523 VanDerWaalsContact O-CG 3.29Å; M519-E523 WeakPolarHBondContact O-CG 3.08Å; M519-E523 PolarHBondContact O-N 3.36Å; E520-E523 PolarHBondContact O-N 3.31Å; E521-E523 VanDerWaalsContact C-N 3.34Å; E521-E523 PolarHBondContact O-N 3.39Å; E523-A526 PolarHBondContact O-N 3.08Å; E523-K527 WeakPolarHBondContact O-CB 3.45Å; E523-K527 PolarHBondContact O-N 2.95Å; E523-I535 HydrophobicContact CG-CD1 4.17Å; E523-I535 HydrophobicContact CG-CG2 4.29Å; E523-Y552 WeakPolarHBondContact CG-OH 3.42Å; E523-Y552 WeakPolarHBondContact OE1-CE2 3.41Å; E523-Y552 VanDerWaalsContact OE1-CZ 3.29Å; E523-Y552 PolarHBondContact OE1-OH 2.91Å; E523-K561 VanDerWaalsContact CD-NZ 3.26Å; E523-K561 WeakPolarHBondContact OE1-CD 3.27Å; E523-K561 IonicContact OE1-NZ 3.93Å; E523-K561 PolarHBondContact OE1-NZ 3.07Å; E523-K561 IonicContact OE2-NZ 3.81Å; E523-K561 PolarHBondContact OE2-NZ 2.88Å; E523-L563 HydrophobicContact CB-CD2 3.96Å; E523-L563 HydrophobicContact CG-CD2 4.01Å
524R98.5Very high96.4Very high86 Ų8642.2 Ų42.233%0.32521%0.208SC..Hα-helixtrans-58.5-51.8174.9-170.1-162.268.967.42.9111E520 E521 K527 Y528 E529E520-R524 PolarHBondContact O-N 2.97Å; E521-R524 WeakPolarHBondContact O-CB 3.48Å; E521-R524 PolarHBondContact O-N 3.04Å; E521-R524 IonicContact OE1-CZ 3.58Å; E521-R524 IonicContact OE1-NE 2.8Å; E521-R524 PolarHBondContact OE1-NE 3.32Å; E521-R524 IonicContact OE1-NH2 2.84Å; E521-R524 PolarHBondContact OE1-NH2 3.48Å; E521-R524 IonicContact OE2-CZ 2.92Å; E521-R524 IonicContact OE2-NE 3.67Å; E521-R524 PolarHBondContact OE2-NE 3.12Å; E521-R524 IonicContact OE2-NH2 3.85Å; R524-K527 PolarHBondContact O-N 3.3Å; R524-Y528 HydrophobicContact CG-CD2 3.7Å; R524-Y528 HydrophobicContact CG-CE2 4.13Å; R524-Y528 VanDerWaalsContact O-CD2 3.23Å; R524-Y528 WeakPolarHBondContact O-CD2 3.28Å; R524-Y528 PolarHBondContact O-N 3.08Å; R524-E529 IonicContact CZ-OE1 2.68Å; R524-E529 IonicContact NH1-OE1 3.43Å; R524-E529 PolarHBondContact NH1-OE1 2.6Å; R524-E529 IonicContact NH2-OE1 3.69Å; R524-E529 PolarHBondContact NH2-OE1 3.06Å
525I98.5Very high96.8Very high0 Ų041.1 Ų41.10%020%0.203CC..Hα-helixtrans-62.6-46.4-179.8-67.9164.9000110.6T436 L438 L454 E521 K527 E529 H530T436-I525 HydrophobicContact CG2-CD1 4.02Å; L438-I525 HydrophobicContact CD1-CD1 3.96Å; L438-I525 HydrophobicContact CD2-CD1 3.8Å; L438-I525 HydrophobicContact CG-CD1 4.37Å; L454-I525 HydrophobicContact CD2-CB 4.03Å; L454-I525 HydrophobicContact CD2-CG2 3.81Å; E521-I525 HydrophobicContact CG-CD1 3.89Å; E521-I525 WeakPolarHBondContact O-CG1 3.4Å; E521-I525 PolarHBondContact O-N 3.36Å; I525-K527 VanDerWaalsContact C-N 3.28Å; I525-K527 PolarHBondContact O-N 2.85Å; I525-E529 HydrophobicContact CG2-CB 4.21Å; I525-E529 WeakPolarHBondContact O-CA 3.33Å; I525-E529 WeakPolarHBondContact O-CB 3.45Å; I525-E529 PolarHBondContact O-N 3.38Å; I525-H530 PolarHBondContact O-N 3.17Å
526A98.2Very high97.1Very high0 Ų040.7 Ų40.70%020%0.199CC..Hα-helixtrans-57-43.2178.400000111.7L454 A522 E523 H530 G531 S532 I535 L563L454-A526 HydrophobicContact CD2-CB 4.42Å; A522-A526 WeakPolarHBondContact O-CB 3.29Å; A522-A526 PolarHBondContact O-N 2.86Å; E523-A526 PolarHBondContact O-N 3.08Å; A526-H530 WeakPolarHBondContact O-CB 3.25Å; A526-G531 PolarHBondContact O-N 3.41Å; A526-S532 WeakPolarHBondContact O-CA 3Å; A526-S532 VanDerWaalsContact O-CB 3.22Å; A526-S532 WeakPolarHBondContact O-CB 3.49Å; A526-S532 PolarHBondContact O-N 3.24Å; A526-I535 HydrophobicContact CB-CD1 4.05Å; A526-L563 HydrophobicContact CB-CD1 3.59Å
527K97.9Very high97.4Very high85 Ų8538.7 Ų38.737%0.3719%0.186SC..Hα-helixtrans-72-55.7-179.4-173.9171-174.3159.90112.6E523 R524 I525 L563E523-K527 WeakPolarHBondContact O-CB 3.45Å; E523-K527 PolarHBondContact O-N 2.95Å; R524-K527 PolarHBondContact O-N 3.3Å; I525-K527 VanDerWaalsContact C-N 3.28Å; I525-K527 PolarHBondContact O-N 2.85Å; K527-L563 HydrophobicContact CB-CB 4.26Å; K527-L563 HydrophobicContact CB-CD1 4.1Å; K527-L563 HydrophobicContact CD-CB 4.33Å; K527-L563 WeakPolarHBondContact CE-OXT 3.26Å; K527-L563 HydrophobicContact CG-CB 4.36Å; K527-L563 PolarHBondContact NZ-OXT 2.88Å
528Y97.9Very high97.5Very high164 Ų16436 Ų3664%0.64317%0.172SC*.Hα-helixtrans-92-25.5-165.4-63.7-70.2000114R524R524-Y528 HydrophobicContact CG-CD2 3.7Å; R524-Y528 HydrophobicContact CG-CE2 4.13Å; R524-Y528 VanDerWaalsContact O-CD2 3.23Å; R524-Y528 WeakPolarHBondContact O-CD2 3.28Å; R524-Y528 PolarHBondContact O-N 3.08Å
529E97.4Very high97.4Very high81 Ų8136.2 Ų36.238%0.37917%0.174SC..THydrogen-bonded Turntrans-108.4-43.5-176.1-58-178.9-146.600111.7R425 R524 I525 G531R425-E529 IonicContact CZ-OE2 3.84Å; R425-E529 IonicContact NH1-OE1 2.62Å; R425-E529 PolarHBondContact NH1-OE1 2.7Å; R425-E529 IonicContact NH1-OE2 3.43Å; R425-E529 PolarHBondContact NH1-OE2 3.37Å; R425-E529 IonicContact NH2-OE2 3.9Å; R425-E529 PolarHBondContact NH2-OE2 2.81Å; R524-E529 IonicContact CZ-OE1 2.68Å; R524-E529 IonicContact NH1-OE1 3.43Å; R524-E529 PolarHBondContact NH1-OE1 2.6Å; R524-E529 IonicContact NH2-OE1 3.69Å; R524-E529 PolarHBondContact NH2-OE1 3.06Å; I525-E529 HydrophobicContact CG2-CB 4.21Å; I525-E529 WeakPolarHBondContact O-CA 3.33Å; I525-E529 WeakPolarHBondContact O-CB 3.45Å; I525-E529 PolarHBondContact O-N 3.38Å; E529-G531 VanDerWaalsContact C-N 3.33Å
530H95.2Very high97.3Very high11 Ų1136.3 Ų36.35%0.05118%0.175CC..SBendtrans-79.2-18.8177.1-63.3177.2000112.9W434 K456 S487 I525 A526 S532W434-H530 AromaticContact CD1-NE2 3.68Å; K456-H530 HydrophobicContact CB-CB 4.39Å; K456-H530 HydrophobicContact CD-CB 3.97Å; K456-H530 VanDerWaalsContact CE-O 3.31Å; K456-H530 WeakPolarHBondContact CE-O 3.44Å; K456-H530 HydrophobicContact CG-CB 4.09Å; K456-H530 PolarHBondContact NZ-O 3.3Å; S487-H530 PolarHBondContact OG-ND1 2.78Å; I525-H530 PolarHBondContact O-N 3.17Å; A526-H530 WeakPolarHBondContact O-CB 3.25Å; H530-S532 VanDerWaalsContact C-N 3.25Å; H530-S532 PolarHBondContact O-N 2.71Å
531G94.4Very high97.2Very high45 Ų4531.1 Ų31.146%0.46415%0.151SC..  trans68.424.7-17300000113A526 E529A526-G531 PolarHBondContact O-N 3.41Å; E529-G531 VanDerWaalsContact C-N 3.33Å
532S95.7Very high97.1Very high4 Ų429.6 Ų29.63%0.02815%0.145CC..  trans-77.9139.2-179.5-59.70000111.1R485 C486 S487 A526 H530R485-S532 CarbonylContact O-C 3.58Å; R485-S532 VanDerWaalsContact O-CA 3.3Å; R485-S532 WeakPolarHBondContact O-CA 3.38Å; C486-S532 VanDerWaalsContact C-OG 3.28Å; S487-S532 PolarHBondContact N-OG 3.44Å; S487-S532 PolarHBondContact OG-OG 2.9Å; A526-S532 WeakPolarHBondContact O-CA 3Å; A526-S532 VanDerWaalsContact O-CB 3.22Å; A526-S532 WeakPolarHBondContact O-CB 3.49Å; A526-S532 PolarHBondContact O-N 3.24Å; H530-S532 VanDerWaalsContact C-N 3.25Å; H530-S532 PolarHBondContact O-N 2.71Å
533L96Very high96.8Very high78 Ų7831.2 Ų31.241%0.40816%0.156SC..SBendtrans-91.3-13.4172.2-57.8178.1000111.8V468 R485 L563V468-L533 HydrophobicContact CG1-CD1 4.2Å; V468-L533 HydrophobicContact CG2-CB 4.38Å; R485-L533 HydrophobicContact CB-CG 4.42Å; R485-L533 PolarHBondContact O-N 3.21Å; L533-L563 PolarHBondContact O-N 2.7Å; L533-L563 VanDerWaalsContact O-N 3.09Å
534K95.9Very high96.7Very high7 Ų730.5 Ų30.53%0.0315%0.152CC..EExtended strand (participates in β ladder)trans-141.5136.5-173.4-175.5168.658.8175.50110.1E465 I467 V468 R485 C486 S487 I560 F562E465-K534 VanDerWaalsContact O-CE 3.28Å; E465-K534 WeakPolarHBondContact O-CE 3.27Å; E465-K534 PolarHBondContact O-NZ 2.87Å; I467-K534 PolarHBondContact O-NZ 2.92Å; V468-K534 HydrophobicContact CG2-CB 3.77Å; V468-K534 HydrophobicContact CG2-CD 4.41Å; R485-K534 PolarHBondContact O-N 3.45Å; C486-K534 VanDerWaalsContact CA-O 3.25Å; C486-K534 WeakPolarHBondContact CA-O 3.29Å; C486-K534 HydrophobicContact CB-CB 4.49Å; C486-K534 PolarHBondContact SG-O 3.27Å; S487-K534 PolarHBondContact N-O 3.39Å; K534-I560 HydrophobicContact CD-CD1 4.26Å; K534-I560 HydrophobicContact CD-CG2 3.6Å; K534-I560 HydrophobicContact CG-CD1 4.43Å; K534-I560 HydrophobicContact CG-CG2 3.65Å; K534-F562 HydrophobicContact CB-CD1 4.47Å; K534-F562 HydrophobicContact CD-CE1 4.13Å; K534-F562 HydrophobicContact CD-CZ 4.2Å
535I98.4Very high96.5Very high0 Ų029.7 Ų29.70%015%0.153CC..EExtended strand (participates in β ladder)trans-114.7136168.5-170.7167.2000110.1L454 S487 V489 A522 E523 A526 Y552 I560 K561 L563L454-I535 HydrophobicContact CD1-CD1 4.02Å; S487-I535 CarbonylContact O-C 3.57Å; S487-I535 VanDerWaalsContact O-CA 3.29Å; S487-I535 WeakPolarHBondContact O-CA 3.41Å; V489-I535 HydrophobicContact CG2-CD1 4.03Å; V489-I535 HydrophobicContact CG2-CG1 4.37Å; A522-I535 HydrophobicContact CB-CD1 4.39Å; E523-I535 HydrophobicContact CG-CD1 4.17Å; E523-I535 HydrophobicContact CG-CG2 4.29Å; A526-I535 HydrophobicContact CB-CD1 4.05Å; I535-Y552 HydrophobicContact CG2-CE1 3.8Å; I535-Y552 WeakPolarHBondContact CG2-OH 3.49Å; I535-I560 WeakPolarHBondContact O-CA 3.49Å; I535-K561 HydrophobicContact CG2-CB 3.92Å; I535-K561 PolarHBondContact N-O 3.25Å; I535-K561 PolarHBondContact O-N 2.92Å; I535-L563 HydrophobicContact CB-CD1 4.12Å; I535-L563 HydrophobicContact CB-CD2 4.18Å; I535-L563 HydrophobicContact CB-CG 4.25Å; I535-L563 HydrophobicContact CG2-CD1 4.4Å; I535-L563 HydrophobicContact CG2-CD2 3.59Å; I535-L563 HydrophobicContact CG2-CG 4.01Å
536A98.4Very high96.2Very high0 Ų033.4 Ų33.40%017%0.168CC..EExtended strand (participates in β ladder)trans-114.6156177.900000111.4L466 S487 I488 V489 M559 I560L466-A536 HydrophobicContact CD2-CB 3.39Å; S487-A536 PolarHBondContact O-N 3.47Å; I488-A536 CarbonylContact C-O 3.58Å; I488-A536 WeakPolarHBondContact CA-O 3.12Å; I488-A536 HydrophobicContact CB-CB 4.2Å; I488-A536 HydrophobicContact CD1-CB 4.17Å; I488-A536 HydrophobicContact CG1-CB 4.02Å; V489-A536 PolarHBondContact N-O 3.07Å; A536-M559 CarbonylContact C-O 3.57Å; A536-M559 WeakPolarHBondContact CA-O 3.44Å; A536-I560 HydrophobicContact CB-CD1 3.36Å
537V98.6Very high96.2Very high1 Ų134 Ų341%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-133.1123170.8-170.40000109.1V489 M519 S539 Y547 Y552 M559V489-V537 HydrophobicContact CB-CB 4.32Å; V489-V537 HydrophobicContact CB-CG1 4.04Å; V489-V537 HydrophobicContact CB-CG2 4.02Å; V489-V537 HydrophobicContact CG1-CG1 4.17Å; V489-V537 HydrophobicContact CG2-CG2 4.25Å; M519-V537 HydrophobicContact CE-CG2 3.99Å; V537-S539 PolarHBondContact O-N 2.97Å; V537-Y547 HydrophobicContact CB-CD1 4.45Å; V537-Y547 HydrophobicContact CB-CE1 4.32Å; V537-Y547 HydrophobicContact CG1-CD1 4.28Å; V537-Y547 HydrophobicContact CG1-CE1 3.68Å; V537-Y547 HydrophobicContact CG1-CE2 4.06Å; V537-Y547 HydrophobicContact CG2-CD1 4.08Å; V537-Y547 HydrophobicContact CG2-CE1 4.1Å; V537-Y552 HydrophobicContact CG2-CD1 4Å; V537-Y552 HydrophobicContact CG2-CE1 3.64Å; V537-M559 HydrophobicContact CB-CB 4.26Å; V537-M559 PolarHBondContact N-O 2.99Å; V537-M559 PolarHBondContact O-N 3.27Å
538I98.1Very high96.1Very high13 Ų1333.9 Ų33.97%0.06717%0.168CC..EExtended strand (participates in β ladder)trans-76106.2162.4-178165.7000108.3L237 T242 G279 F280 V489 Y558L237-I538 HydrophobicContact CD2-CD1 3.69Å; L237-I538 HydrophobicContact CD2-CG1 4.4Å; T242-I538 HydrophobicContact CG2-CG1 4.14Å; G279-I538 WeakPolarHBondContact O-CG2 3.38Å; F280-I538 HydrophobicContact CD1-CD1 3.81Å; F280-I538 HydrophobicContact CE1-CD1 4.08Å; F280-I538 HydrophobicContact CG-CD1 4.2Å; V489-I538 VanDerWaalsContact O-CG2 3.25Å; V489-I538 WeakPolarHBondContact O-CG2 3.34Å; V489-I538 PolarHBondContact O-N 2.9Å; V489-I538 VanDerWaalsContact O-N 3.14Å; I538-Y558 HydrophobicContact CB-CD1 4.28Å; I538-Y558 HydrophobicContact CB-CE1 4.22Å
539S95.9Very high96Very high5 Ų534.5 Ų34.54%0.03517%0.174CC..  trans-113.4143.1-171.859.90000111.3V537 R544 Y547 M559V537-S539 PolarHBondContact O-N 2.97Å; S539-R544 WeakPolarHBondContact OG-CG 3.23Å; S539-Y547 VanDerWaalsContact CB-CE2 3.48Å; S539-M559 VanDerWaalsContact OG-CG 3.31Å; S539-M559 WeakPolarHBondContact OG-CG 3.42Å
540G95.4Very high95.9Very high3 Ų332.5 Ų32.53%0.03117%0.165CC..  trans-58.7139.3163.300000109.5C216 V217 G542 T543 R544C216-G540 CarbonylContact O-C 3.58Å; V217-G540 WeakPolarHBondContact O-CA 3.3Å; G540-G542 PolarHBondContact O-N 3.12Å; G540-G542 VanDerWaalsContact O-N 3.11Å; G540-T543 PolarHBondContact N-OG1 2.87Å; G540-T543 PolarHBondContact O-N 3.27Å; G540-T543 PolarHBondContact O-OG1 2.94Å; G540-R544 PolarHBondContact O-N 3.34Å
541V96.2Very high96Very high0 Ų034.2 Ų34.20%019%0.186CC..G310 helixtrans-52.1-41.1-177.2177.70000111.5V206 E210 C216 T543V206-V541 HydrophobicContact CG1-CG1 3.96Å; V206-V541 HydrophobicContact CG1-CG2 3.87Å; V206-V541 VanDerWaalsContact O-CG1 3.22Å; V206-V541 WeakPolarHBondContact O-CG1 3.34Å; E210-V541 HydrophobicContact CB-CG1 3.89Å; E210-V541 WeakPolarHBondContact CG-O 3.22Å; C216-V541 PolarHBondContact O-N 2.98Å; V541-T543 VanDerWaalsContact C-N 3.27Å; V541-T543 PolarHBondContact O-N 2.78Å
542G94.6Very high96.2Very high7 Ų732.3 Ų32.37%0.07217%0.165CC..G310 helixtrans-71.9-11.1178.300000115.6K215 C216 G540K215-G542 WeakPolarHBondContact CD-O 3.5Å; C216-G542 WeakPolarHBondContact O-CA 3.21Å; C216-G542 PolarHBondContact O-N 2.64Å; G540-G542 PolarHBondContact O-N 3.12Å; G540-G542 VanDerWaalsContact O-N 3.11Å
543T93.9Very high96.3Very high35 Ų3540 Ų4022%0.21520%0.198CC..G310 helixtrans-103.2-6.7-179.2670000113.7V217 G540 V541 N545 Y546 Y547V217-T543 HydrophobicContact CB-CG2 4.06Å; V217-T543 HydrophobicContact CG1-CG2 3.74Å; G540-T543 PolarHBondContact N-OG1 2.87Å; G540-T543 PolarHBondContact O-N 3.27Å; G540-T543 PolarHBondContact O-OG1 2.94Å; V541-T543 VanDerWaalsContact C-N 3.27Å; V541-T543 PolarHBondContact O-N 2.78Å; T543-N545 VanDerWaalsContact C-N 3.26Å; T543-N545 PolarHBondContact O-N 3.18Å; T543-N545 VanDerWaalsContact O-N 3.12Å; T543-Y546 VanDerWaalsContact O-CB 3.23Å; T543-Y546 WeakPolarHBondContact O-CB 3.41Å; T543-Y546 PolarHBondContact O-N 2.88Å; T543-Y547 WeakPolarHBondContact O-CD2 3.42Å
544R95.9Very high96.3Very high16 Ų1639.8 Ų39.86%0.0620%0.197CC..Hα-helixtrans-52.2-39-179.3-70.4176172.6173.1-2.8114.5E210 S539 G540 Y546 Y547 R548 M559E210-R544 HydrophobicContact CG-CB 4.33Å; E210-R544 WeakPolarHBondContact OE2-CD 3.48Å; E210-R544 IonicContact OE2-NH1 2.73Å; E210-R544 PolarHBondContact OE2-NH1 2.96Å; S539-R544 WeakPolarHBondContact OG-CG 3.23Å; G540-R544 PolarHBondContact O-N 3.34Å; R544-Y546 PolarHBondContact O-N 3.4Å; R544-Y547 PolarHBondContact O-N 3.34Å; R544-Y547 VanDerWaalsContact O-N 3.14Å; R544-R548 PolarHBondContact O-N 2.84Å; R544-M559 HydrophobicContact CB-CG 4.43Å; R544-M559 HydrophobicContact CB-SD 3.8Å; R544-M559 HydrophobicContact CG-CG 4.07Å; R544-M559 HydrophobicContact CG-SD 3.73Å
545N93.4Very high96.3Very high68 Ų6843 Ų4336%0.36421%0.212SC..Hα-helixtrans-63.5-25.7176.9-79.2-32.1000114.1T543 R548 K549T543-N545 VanDerWaalsContact C-N 3.26Å; T543-N545 PolarHBondContact O-N 3.18Å; T543-N545 VanDerWaalsContact O-N 3.12Å; N545-R548 PolarHBondContact OD1-NH1 3.16Å; N545-K549 WeakPolarHBondContact O-CG 3.49Å; N545-K549 PolarHBondContact O-N 2.96Å
546Y92.9Very high96.2Very high78 Ų7845.3 Ų45.331%0.30624%0.235SC..Hα-helixtrans-65.2-49.2171.8167.6-96.7000110.2L492 G515 T516 T543 R544 R548 K549 L550L492-Y546 HydrophobicContact CD2-CE1 3.71Å; G515-Y546 WeakPolarHBondContact CA-OH 3.38Å; G515-Y546 PolarHBondContact O-OH 3.26Å; G515-Y546 VanDerWaalsContact O-OH 3.06Å; T516-Y546 PolarHBondContact N-OH 3.36Å; T543-Y546 VanDerWaalsContact O-CB 3.23Å; T543-Y546 WeakPolarHBondContact O-CB 3.41Å; T543-Y546 PolarHBondContact O-N 2.88Å; R544-Y546 PolarHBondContact O-N 3.4Å; Y546-R548 PolarHBondContact O-N 2.96Å; Y546-K549 WeakPolarHBondContact O-CB 3.21Å; Y546-K549 PolarHBondContact O-N 2.85Å; Y546-L550 HydrophobicContact CD1-CD1 4.48Å; Y546-L550 HydrophobicContact CE1-CD1 3.81Å
547Y97.1Very high96.1Very high12 Ų1246.1 Ų46.15%0.04724%0.241CC..Hα-helixtrans-66.7-34.5178.5-59.4-72.9000112.9L492 M519 V537 S539 T543 R544 K549 L550 G551 Y552 M559L492-Y547 HydrophobicContact CD2-CE1 4.07Å; M519-Y547 HydrophobicContact CE-CE1 4.47Å; M519-Y547 HydrophobicContact SD-CE1 4.08Å; V537-Y547 HydrophobicContact CB-CD1 4.45Å; V537-Y547 HydrophobicContact CB-CE1 4.32Å; V537-Y547 HydrophobicContact CG1-CD1 4.28Å; V537-Y547 HydrophobicContact CG1-CE1 3.68Å; V537-Y547 HydrophobicContact CG1-CE2 4.06Å; V537-Y547 HydrophobicContact CG2-CD1 4.08Å; V537-Y547 HydrophobicContact CG2-CE1 4.1Å; S539-Y547 VanDerWaalsContact CB-CE2 3.48Å; T543-Y547 WeakPolarHBondContact O-CD2 3.42Å; R544-Y547 PolarHBondContact O-N 3.34Å; R544-Y547 VanDerWaalsContact O-N 3.14Å; Y547-K549 PolarHBondContact O-N 3.42Å; Y547-L550 CarbonylContact O-C 3.6Å; Y547-L550 WeakPolarHBondContact O-CA 3.21Å; Y547-L550 WeakPolarHBondContact O-CB 3.31Å; Y547-L550 PolarHBondContact O-N 3.15Å; Y547-G551 PolarHBondContact O-N 3.08Å; Y547-Y552 WeakPolarHBondContact O-CB 3.32Å; Y547-Y552 WeakPolarHBondContact O-CD2 3.36Å; Y547-Y552 PolarHBondContact O-N 3.37Å; Y547-Y552 VanDerWaalsContact O-N 3.09Å; Y547-M559 HydrophobicContact CD2-CG 4.19Å; Y547-M559 HydrophobicContact CG-CB 4.39Å; Y547-M559 HydrophobicContact CG-CG 4.37Å
548R96.8Very high96.1Very high83 Ų8346.1 Ų46.131%0.31324%0.241SC..Hα-helixtrans-57.7-38173.7-70.6-170.7-172.3101.92.1113E210 R544 N545 Y546 L550 G551 Y552 M559E210-R548 IonicContact OE1-CZ 3.64Å; E210-R548 IonicContact OE1-NH1 3.69Å; E210-R548 PolarHBondContact OE1-NH1 2.81Å; E210-R548 IonicContact OE1-NH2 3.64Å; E210-R548 PolarHBondContact OE1-NH2 3.05Å; E210-R548 IonicContact OE2-CZ 2.57Å; E210-R548 IonicContact OE2-NH1 3.74Å; E210-R548 IonicContact OE2-NH2 2.58Å; E210-R548 PolarHBondContact OE2-NH2 3.24Å; E210-R548 VanDerWaalsContact OE2-NH2 3.1Å; R544-R548 PolarHBondContact O-N 2.84Å; N545-R548 PolarHBondContact OD1-NH1 3.16Å; Y546-R548 PolarHBondContact O-N 2.96Å; R548-L550 PolarHBondContact O-N 3.48Å; R548-G551 PolarHBondContact O-N 2.92Å; R548-Y552 WeakPolarHBondContact CA-O 3.49Å; R548-M559 HydrophobicContact CG-CE 3.52Å
549K95.1Very high96.1Very high178 Ų17845.5 Ų45.577%0.77424%0.238SC*.Hα-helixtrans-66.2-22.8176.1-68.1173.7-178.3-175.60112.9N545 Y546 Y547 G551N545-K549 WeakPolarHBondContact O-CG 3.49Å; N545-K549 PolarHBondContact O-N 2.96Å; Y546-K549 WeakPolarHBondContact O-CB 3.21Å; Y546-K549 PolarHBondContact O-N 2.85Å; Y547-K549 PolarHBondContact O-N 3.42Å; K549-G551 VanDerWaalsContact C-N 3.31Å
550L95.6Very high96.2Very high39 Ų3945.5 Ų45.520%0.20424%0.237CC..THydrogen-bonded Turntrans-90.26.5174.7-57.3178.9000112.9T516 M519 Y546 Y547 R548 Y552 K561T516-L550 HydrophobicContact CG2-CD2 3.86Å; M519-L550 HydrophobicContact CB-CD1 4.17Å; M519-L550 HydrophobicContact CG-CD1 4.02Å; Y546-L550 HydrophobicContact CD1-CD1 4.48Å; Y546-L550 HydrophobicContact CE1-CD1 3.81Å; Y547-L550 CarbonylContact O-C 3.6Å; Y547-L550 WeakPolarHBondContact O-CA 3.21Å; Y547-L550 WeakPolarHBondContact O-CB 3.31Å; Y547-L550 PolarHBondContact O-N 3.15Å; R548-L550 PolarHBondContact O-N 3.48Å; L550-Y552 HydrophobicContact CB-CD2 3.9Å; L550-Y552 HydrophobicContact CB-CE2 4.02Å; L550-K561 PolarHBondContact O-NZ 2.98Å
551G97.3Very high96.3Very high47 Ų4748 Ų4849%0.48525%0.247SC..THydrogen-bonded Turntrans92.86.2177.900000115.4Y547 R548 K549Y547-G551 PolarHBondContact O-N 3.08Å; R548-G551 PolarHBondContact O-N 2.92Å; K549-G551 VanDerWaalsContact C-N 3.31Å
552Y98.3Very high96.3Very high4 Ų454.5 Ų54.52%0.01628%0.276CS..  trans-79.3146.5178-66.8-110.9000111.6M519 E523 I535 V537 Y547 R548 L550 M559 I560 K561M519-Y552 HydrophobicContact CE-CE1 4.17Å; M519-Y552 HydrophobicContact CE-CE2 3.95Å; M519-Y552 VanDerWaalsContact CE-CZ 3.46Å; M519-Y552 WeakPolarHBondContact CE-OH 3.44Å; E523-Y552 WeakPolarHBondContact CG-OH 3.42Å; E523-Y552 WeakPolarHBondContact OE1-CE2 3.41Å; E523-Y552 VanDerWaalsContact OE1-CZ 3.29Å; E523-Y552 PolarHBondContact OE1-OH 2.91Å; I535-Y552 HydrophobicContact CG2-CE1 3.8Å; I535-Y552 WeakPolarHBondContact CG2-OH 3.49Å; V537-Y552 HydrophobicContact CG2-CD1 4Å; V537-Y552 HydrophobicContact CG2-CE1 3.64Å; Y547-Y552 WeakPolarHBondContact O-CB 3.32Å; Y547-Y552 WeakPolarHBondContact O-CD2 3.36Å; Y547-Y552 PolarHBondContact O-N 3.37Å; Y547-Y552 VanDerWaalsContact O-N 3.09Å; R548-Y552 WeakPolarHBondContact CA-O 3.49Å; L550-Y552 HydrophobicContact CB-CD2 3.9Å; L550-Y552 HydrophobicContact CB-CE2 4.02Å; Y552-M559 HydrophobicContact CD1-CB 4.29Å; Y552-I560 CarbonylContact C-O 3.54Å; Y552-I560 VanDerWaalsContact CA-O 3.26Å; Y552-I560 WeakPolarHBondContact CA-O 3.41Å; Y552-K561 HydrophobicContact CD1-CB 3.63Å; Y552-K561 HydrophobicContact CD2-CB 4.16Å; Y552-K561 HydrophobicContact CD2-CD 4.04Å; Y552-K561 HydrophobicContact CE1-CB 3.6Å; Y552-K561 HydrophobicContact CE2-CB 4.12Å; Y552-K561 HydrophobicContact CE2-CD 3.65Å; Y552-K561 HydrophobicContact CG-CB 3.9Å
553K97.9Very high96.2Very high165 Ų16557.1 Ų57.172%0.71729%0.288SS*.EExtended strand (participates in β ladder)trans-117.8150.9175.1-62.3-177.7-177.5176.40110.3M559 I560K553-M559 CarbonylContact O-C 3.55Å; K553-M559 WeakPolarHBondContact O-CA 3.39Å; K553-I560 PolarHBondContact N-O 3.39Å; K553-I560 PolarHBondContact O-N 3.31Å
554L97Very high96.4Very high74 Ų7458.2 Ų58.239%0.38729%0.291SS..EExtended strand (participates in β ladder)trans-78.6125.3178.7-17668.7000109.5Y558 M559L554-Y558 WeakPolarHBondContact CA-O 3.08Å; L554-M559 HydrophobicContact CB-SD 3.97Å; L554-M559 HydrophobicContact CD1-SD 3.78Å; L554-M559 HydrophobicContact CG-SD 4.49Å
555E96.4Very high96.4Very high75 Ų7560.4 Ų60.435%0.3530%0.303SS..EExtended strand (participates in β ladder)trans-133.1113.3172.4-172.7-177.9143.700108.3E465 Y558 I560E465-E555 HydrophobicContact CB-CG 4.44Å; E465-E555 HydrophobicContact CG-CG 4.25Å; E555-Y558 PolarHBondContact N-O 2.94Å; E555-Y558 PolarHBondContact O-N 3.29Å; E555-I560 HydrophobicContact CB-CB 4.38Å; E555-I560 HydrophobicContact CB-CG1 3.75Å
556G95.2Very high96.5Very high48 Ų4860 Ų6050%0.49530%0.3SS..THydrogen-bonded Turntrans55.4-128.5-168.800000111
557P96Very high96.8Very high18 Ų1858.9 Ų58.912%0.11730%0.3CS..THydrogen-bonded Turntrans-83.7-7.9178.133.5-32.9000114L237 E465L237-P557 HydrophobicContact CB-CB 3.86Å; L237-P557 HydrophobicContact CB-CG 3.84Å; L237-P557 HydrophobicContact CD1-CG 4.16Å; L237-P557 HydrophobicContact CD2-CG 4.44Å; L237-P557 HydrophobicContact CG-CG 4.36Å; E465-P557 WeakPolarHBondContact OE1-CD 3.43Å
558Y98.2Very high96.7Very high0 Ų061.9 Ų61.90%032%0.316CS..EExtended strand (participates in β ladder)trans-104.6150.7-169.2-56.6-74000113.3L237 A278 R463 E465 L466 I488 I538 L554 E555L237-Y558 HydrophobicContact CD1-CE2 4.46Å; L237-Y558 WeakPolarHBondContact CD1-OH 3.33Å; L237-Y558 HydrophobicContact CD2-CE1 4.05Å; A278-Y558 WeakPolarHBondContact O-CE1 3.3Å; A278-Y558 PolarHBondContact O-OH 3.07Å; R463-Y558 HydrophobicContact CB-CE2 4.36Å; R463-Y558 HydrophobicContact CG-CE2 4.45Å; E465-Y558 HydrophobicContact CB-CD2 3.86Å; E465-Y558 HydrophobicContact CB-CE2 4.28Å; E465-Y558 HydrophobicContact CG-CD2 4.42Å; L466-Y558 HydrophobicContact CD1-CE2 4.27Å; L466-Y558 HydrophobicContact CD2-CD1 4.45Å; L466-Y558 HydrophobicContact CD2-CD2 4Å; L466-Y558 HydrophobicContact CD2-CE1 4.49Å; L466-Y558 HydrophobicContact CD2-CE2 4.03Å; L466-Y558 HydrophobicContact CD2-CG 4.21Å; L466-Y558 HydrophobicContact CG-CD2 4.42Å; L466-Y558 HydrophobicContact CG-CE2 4Å; I488-Y558 HydrophobicContact CD1-CD1 3.92Å; I488-Y558 HydrophobicContact CD1-CE1 3.62Å; I538-Y558 HydrophobicContact CB-CD1 4.28Å; I538-Y558 HydrophobicContact CB-CE1 4.22Å; L554-Y558 WeakPolarHBondContact CA-O 3.08Å; E555-Y558 PolarHBondContact N-O 2.94Å; E555-Y558 PolarHBondContact O-N 3.29Å
559M98.4Very high96.7Very high0 Ų060.5 Ų60.50%032%0.316CS..EExtended strand (participates in β ladder)trans-89.9119.8163.7-61.8-60.2-57.400108.4A536 V537 S539 R544 Y547 R548 Y552 K553 L554A536-M559 CarbonylContact C-O 3.57Å; A536-M559 WeakPolarHBondContact CA-O 3.44Å; V537-M559 HydrophobicContact CB-CB 4.26Å; V537-M559 PolarHBondContact N-O 2.99Å; V537-M559 PolarHBondContact O-N 3.27Å; S539-M559 VanDerWaalsContact OG-CG 3.31Å; S539-M559 WeakPolarHBondContact OG-CG 3.42Å; R544-M559 HydrophobicContact CB-CG 4.43Å; R544-M559 HydrophobicContact CB-SD 3.8Å; R544-M559 HydrophobicContact CG-CG 4.07Å; R544-M559 HydrophobicContact CG-SD 3.73Å; Y547-M559 HydrophobicContact CD2-CG 4.19Å; Y547-M559 HydrophobicContact CG-CB 4.39Å; Y547-M559 HydrophobicContact CG-CG 4.37Å; R548-M559 HydrophobicContact CG-CE 3.52Å; Y552-M559 HydrophobicContact CD1-CB 4.29Å; K553-M559 CarbonylContact O-C 3.55Å; K553-M559 WeakPolarHBondContact O-CA 3.39Å; L554-M559 HydrophobicContact CB-SD 3.97Å; L554-M559 HydrophobicContact CD1-SD 3.78Å; L554-M559 HydrophobicContact CG-SD 4.49Å
560I98.2Very high96.9Very high6 Ų652.1 Ų52.13%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-114.8142.6-172.9-63.5-66.8000110.9K534 I535 A536 Y552 K553 E555 F562K534-I560 HydrophobicContact CD-CD1 4.26Å; K534-I560 HydrophobicContact CD-CG2 3.6Å; K534-I560 HydrophobicContact CG-CD1 4.43Å; K534-I560 HydrophobicContact CG-CG2 3.65Å; I535-I560 WeakPolarHBondContact O-CA 3.49Å; A536-I560 HydrophobicContact CB-CD1 3.36Å; Y552-I560 CarbonylContact C-O 3.54Å; Y552-I560 VanDerWaalsContact CA-O 3.26Å; Y552-I560 WeakPolarHBondContact CA-O 3.41Å; K553-I560 PolarHBondContact N-O 3.39Å; K553-I560 PolarHBondContact O-N 3.31Å; E555-I560 HydrophobicContact CB-CB 4.38Å; E555-I560 HydrophobicContact CB-CG1 3.75Å; I560-F562 HydrophobicContact CG2-CE2 4.4Å
561K98Very high97Very high54 Ų5453.1 Ų53.124%0.23529%0.289CS..EExtended strand (participates in β ladder)trans-135.2135.7166.4-176.5177.3176.3-177.40109.1E523 I535 L550 Y552E523-K561 VanDerWaalsContact CD-NZ 3.26Å; E523-K561 WeakPolarHBondContact OE1-CD 3.27Å; E523-K561 IonicContact OE1-NZ 3.93Å; E523-K561 PolarHBondContact OE1-NZ 3.07Å; E523-K561 IonicContact OE2-NZ 3.81Å; E523-K561 PolarHBondContact OE2-NZ 2.88Å; I535-K561 HydrophobicContact CG2-CB 3.92Å; I535-K561 PolarHBondContact N-O 3.25Å; I535-K561 PolarHBondContact O-N 2.92Å; L550-K561 PolarHBondContact O-NZ 2.98Å; Y552-K561 HydrophobicContact CD1-CB 3.63Å; Y552-K561 HydrophobicContact CD2-CB 4.16Å; Y552-K561 HydrophobicContact CD2-CD 4.04Å; Y552-K561 HydrophobicContact CE1-CB 3.6Å; Y552-K561 HydrophobicContact CE2-CB 4.12Å; Y552-K561 HydrophobicContact CE2-CD 3.65Å; Y552-K561 HydrophobicContact CG-CB 3.9Å
562F95.9Very high96.9Very high138 Ų13853.6 Ų53.661%0.60527%0.273SS*.EExtended strand (participates in β ladder)trans-83137.9169.6-71.2-88.3000108.8K534 I560K534-F562 HydrophobicContact CB-CD1 4.47Å; K534-F562 HydrophobicContact CD-CE1 4.13Å; K534-F562 HydrophobicContact CD-CZ 4.2Å; I560-F562 HydrophobicContact CG2-CE2 4.4Å
563L93.7Very high96.8Very high61 Ų6158.1 Ų58.132%0.31930%0.296SS..  trans-95.50-168.1-67.9176.1000114.1E523 A526 K527 L533 I535E523-L563 HydrophobicContact CB-CD2 3.96Å; E523-L563 HydrophobicContact CG-CD2 4.01Å; A526-L563 HydrophobicContact CB-CD1 3.59Å; K527-L563 HydrophobicContact CB-CB 4.26Å; K527-L563 HydrophobicContact CB-CD1 4.1Å; K527-L563 HydrophobicContact CD-CB 4.33Å; K527-L563 WeakPolarHBondContact CE-OXT 3.26Å; K527-L563 HydrophobicContact CG-CB 4.36Å; K527-L563 PolarHBondContact NZ-OXT 2.88Å; L533-L563 PolarHBondContact O-N 2.7Å; L533-L563 VanDerWaalsContact O-N 3.09Å; I535-L563 HydrophobicContact CB-CD1 4.12Å; I535-L563 HydrophobicContact CB-CD2 4.18Å; I535-L563 HydrophobicContact CB-CG 4.25Å; I535-L563 HydrophobicContact CG2-CD1 4.4Å; I535-L563 HydrophobicContact CG2-CD2 3.59Å; I535-L563 HydrophobicContact CG2-CG 4.01Å

Retrieved 563 of 563 residues in 127.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).