A0A5K4EA31_SCHMA Loading...

ADP-ribosylation factor-related protein 1

Trans-Golgi-associated GTPase that regulates protein sorting. Controls the targeting of ARL1 and its effector to the trans-Golgi. Required for the lipidation of chylomicrons in the intestine and required for VLDL lipidation in the liver.

AlphaFold DB , UniProt , Accession A0A5K4EA31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 223 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.1Low82.2Confident211 Ų211115.5 Ų115.5100%1.03962%0.615SS**  022.40-88.8-109.3-79.600111.2
2D68.3Low83.3Confident98 Ų98113.8 Ų113.852%0.52461%0.612SS.*  trans-120-11.1-150.7-50.6-66000114.7L5 Y6D2-L5 PolarHBondContact O-N 3.42Å; D2-Y6 HydrophobicContact CB-CE2 4.49Å; D2-Y6 WeakPolarHBondContact O-CD2 3.45Å; D2-Y6 WeakPolarHBondContact O-CE2 3.15Å
3I71.9Confident84.3Confident155 Ų155111.2 Ų111.280%0.79560%0.602SS**THydrogen-bonded Turntrans-74.9-32.2179.8-64167.1000112P7I3-P7 WeakPolarHBondContact O-CD 3.41Å
4L75.7Confident85.1Confident146 Ų146109.1 Ų109.176%0.76460%0.595SS**THydrogen-bonded Turntrans-81.5-17.5176-72.9168.9000113.2P7 V8L4-P7 WeakPolarHBondContact O-CD 3.44Å; L4-P7 WeakPolarHBondContact O-CG 3.37Å; L4-V8 WeakPolarHBondContact O-CG2 3.15Å
5L83.6Confident85.9Confident100 Ų100106.9 Ų106.952%0.52459%0.589SS.*Hα-helixtrans-76.6-41-179.7-172.864.6000111.8D2 V8 V9D2-L5 PolarHBondContact O-N 3.42Å; L5-V8 PolarHBondContact O-N 2.78Å; L5-V9 HydrophobicContact CD1-CG2 4.35Å; L5-V9 HydrophobicContact CG-CG2 4.2Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 3.12Å
6Y86.8Confident86.5Confident160 Ų160108.9 Ų108.963%0.62759%0.59SS**Hα-helixtrans-54.6-50.8178.6-74.8-71.8000114.8D2 V8 V9 I10D2-Y6 HydrophobicContact CB-CE2 4.49Å; D2-Y6 WeakPolarHBondContact O-CD2 3.45Å; D2-Y6 WeakPolarHBondContact O-CE2 3.15Å; Y6-V8 VanDerWaalsContact C-N 3.28Å; Y6-V8 PolarHBondContact O-N 3.47Å; Y6-V9 PolarHBondContact O-N 3.37Å; Y6-I10 VanDerWaalsContact O-CG1 3.28Å; Y6-I10 WeakPolarHBondContact O-CG1 3.48Å; Y6-I10 PolarHBondContact O-N 3.24Å
7P89.7Confident87Confident71 Ų71106.5 Ų106.546%0.46158%0.58SS.*Hα-helixtrans-64.4-33.9179.723.8-33.4000112.3I3 L4 I10 A11I3-P7 WeakPolarHBondContact O-CD 3.41Å; L4-P7 WeakPolarHBondContact O-CD 3.44Å; L4-P7 WeakPolarHBondContact O-CG 3.37Å; P7-I10 PolarHBondContact O-N 2.97Å; P7-A11 WeakPolarHBondContact O-CB 3.44Å; P7-A11 PolarHBondContact O-N 2.76Å
8V90.8Very high87.5Confident88 Ų88104.8 Ų104.853%0.53357%0.573SS.*Hα-helixtrans-65.9-46175.6176.60000110.5L4 L5 Y6 I10 A11 V12L4-V8 WeakPolarHBondContact O-CG2 3.15Å; L5-V8 PolarHBondContact O-N 2.78Å; Y6-V8 VanDerWaalsContact C-N 3.28Å; Y6-V8 PolarHBondContact O-N 3.47Å; V8-I10 PolarHBondContact O-N 2.97Å; V8-A11 PolarHBondContact O-N 3.03Å; V8-V12 WeakPolarHBondContact O-CG2 3.43Å; V8-V12 PolarHBondContact O-N 3.19Å
9V92.5Very high87.8Confident76 Ų76103.8 Ų103.846%0.46157%0.571SS.*Hα-helixtrans-62.3-44.2177.3174.10000111.1L5 Y6 A11 V12 V13L5-V9 HydrophobicContact CD1-CG2 4.35Å; L5-V9 HydrophobicContact CG-CG2 4.2Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 3.12Å; Y6-V9 PolarHBondContact O-N 3.37Å; V9-A11 PolarHBondContact O-N 2.78Å; V9-V12 PolarHBondContact O-N 3.4Å; V9-V13 HydrophobicContact CG1-CG2 4.48Å; V9-V13 WeakPolarHBondContact O-CG2 3.49Å; V9-V13 PolarHBondContact O-N 2.97Å
10I93.6Very high88.1Confident106 Ų106102.1 Ų102.154%0.54456%0.56SS.*Hα-helixtrans-61.1-45.6177-67.4165.4000110.6Y6 P7 V8 V12 V13 V14Y6-I10 VanDerWaalsContact O-CG1 3.28Å; Y6-I10 WeakPolarHBondContact O-CG1 3.48Å; Y6-I10 PolarHBondContact O-N 3.24Å; P7-I10 PolarHBondContact O-N 2.97Å; V8-I10 PolarHBondContact O-N 2.97Å; I10-V12 VanDerWaalsContact C-N 3.32Å; I10-V12 PolarHBondContact O-N 2.76Å; I10-V13 PolarHBondContact O-N 3.29Å; I10-V14 HydrophobicContact CG2-CG2 4.22Å; I10-V14 VanDerWaalsContact O-CG2 3.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.31Å; I10-V14 PolarHBondContact O-N 2.82Å
11A94.1Very high88.2Confident60 Ų60102.2 Ų102.250%0.49656%0.56SS.*Hα-helixtrans-60.4-41.5178.400000112.1P7 V8 V9 V14 C15P7-A11 WeakPolarHBondContact O-CB 3.44Å; P7-A11 PolarHBondContact O-N 2.76Å; V8-A11 PolarHBondContact O-N 3.03Å; V9-A11 PolarHBondContact O-N 2.78Å; A11-V14 PolarHBondContact O-N 2.66Å; A11-C15 VanDerWaalsContact O-CB 3.3Å; A11-C15 WeakPolarHBondContact O-CB 3.32Å; A11-C15 PolarHBondContact O-N 3.5Å
12V95.5Very high89.8Confident95 Ų95100 Ų10058%0.57654%0.541SS*.Hα-helixtrans-64.4-44.4176.2172.70000111.2V8 V9 I10 C15 F16V8-V12 WeakPolarHBondContact O-CG2 3.43Å; V8-V12 PolarHBondContact O-N 3.19Å; V9-V12 PolarHBondContact O-N 3.4Å; I10-V12 VanDerWaalsContact C-N 3.32Å; I10-V12 PolarHBondContact O-N 2.76Å; V12-C15 PolarHBondContact O-N 3.5Å; V12-F16 WeakPolarHBondContact O-CB 3.32Å; V12-F16 PolarHBondContact O-N 3.32Å
13V96.1Very high90.6Very high80 Ų80102.7 Ų102.749%0.48554%0.544SS..Hα-helixtrans-63.7-45.1177.9172.70000111V9 I10 C15 F16 V17V9-V13 HydrophobicContact CG1-CG2 4.48Å; V9-V13 WeakPolarHBondContact O-CG2 3.49Å; V9-V13 PolarHBondContact O-N 2.97Å; I10-V13 PolarHBondContact O-N 3.29Å; V13-C15 VanDerWaalsContact C-N 3.34Å; V13-C15 PolarHBondContact O-N 3.5Å; V13-F16 PolarHBondContact O-N 2.98Å; V13-V17 HydrophobicContact CG1-CG2 4.3Å; V13-V17 WeakPolarHBondContact O-CB 3.36Å; V13-V17 VanDerWaalsContact O-CG2 3.29Å; V13-V17 WeakPolarHBondContact O-CG2 3.36Å; V13-V17 PolarHBondContact O-N 2.85Å
14V96.4Very high91.1Very high82 Ų8299.5 Ų99.550%0.49753%0.528SS..Hα-helixtrans-60.9-45.1177.3171.80000110.5I10 A11 F16 V17 T18I10-V14 HydrophobicContact CG2-CG2 4.22Å; I10-V14 VanDerWaalsContact O-CG2 3.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.31Å; I10-V14 PolarHBondContact O-N 2.82Å; A11-V14 PolarHBondContact O-N 2.66Å; V14-F16 VanDerWaalsContact C-N 3.35Å; V14-F16 PolarHBondContact O-N 2.87Å; V14-V17 PolarHBondContact O-N 3.16Å; V14-T18 HydrophobicContact CG1-CG2 4.36Å; V14-T18 VanDerWaalsContact O-CG2 3.32Å; V14-T18 WeakPolarHBondContact O-CG2 3.4Å; V14-T18 PolarHBondContact O-N 3.02Å; V14-T18 PolarHBondContact O-OG1 3.45Å; V14-T18 VanDerWaalsContact O-OG1 3.1Å
15C95.9Very high91.2Very high76 Ų7697.5 Ų97.551%0.51453%0.526SS..Hα-helixtrans-63.2-40.7177.6-157.70000111.9A11 V12 V13 T18 V19A11-C15 VanDerWaalsContact O-CB 3.3Å; A11-C15 WeakPolarHBondContact O-CB 3.32Å; A11-C15 PolarHBondContact O-N 3.5Å; V12-C15 PolarHBondContact O-N 3.5Å; V13-C15 VanDerWaalsContact C-N 3.34Å; V13-C15 PolarHBondContact O-N 3.5Å; C15-T18 WeakPolarHBondContact CA-OG1 3.39Å; C15-T18 PolarHBondContact O-N 3.37Å; C15-T18 PolarHBondContact O-OG1 2.98Å; C15-V19 WeakPolarHBondContact O-CB 3.26Å; C15-V19 WeakPolarHBondContact O-CG2 3.14Å; C15-V19 PolarHBondContact O-N 2.92Å
16F96Very high90.7Very high138 Ų13896.6 Ų96.661%0.60553%0.525SS*.Hα-helixtrans-65.8-43.8176.8-169.2-106.6000112.1V12 V13 V14 V19 I20V12-F16 WeakPolarHBondContact O-CB 3.32Å; V12-F16 PolarHBondContact O-N 3.32Å; V13-F16 PolarHBondContact O-N 2.98Å; V14-F16 VanDerWaalsContact C-N 3.35Å; V14-F16 PolarHBondContact O-N 2.87Å; F16-V19 PolarHBondContact O-N 3.33Å; F16-I20 HydrophobicContact CD1-CD1 3.59Å; F16-I20 HydrophobicContact CD1-CG1 4.5Å; F16-I20 HydrophobicContact CE1-CD1 3.23Å; F16-I20 HydrophobicContact CE1-CG1 4.32Å; F16-I20 HydrophobicContact CG-CD1 4.4Å; F16-I20 HydrophobicContact CZ-CD1 3.77Å; F16-I20 WeakPolarHBondContact O-CG1 3.25Å; F16-I20 PolarHBondContact O-N 3.29Å
17V95.9Very high89.8Confident69 Ų6996.6 Ų96.642%0.41852%0.524SS..Hα-helixtrans-64.8-42.7176.9172.60000111.1V13 V14 I20 L21V13-V17 HydrophobicContact CG1-CG2 4.3Å; V13-V17 WeakPolarHBondContact O-CB 3.36Å; V13-V17 VanDerWaalsContact O-CG2 3.29Å; V13-V17 WeakPolarHBondContact O-CG2 3.36Å; V13-V17 PolarHBondContact O-N 2.85Å; V14-V17 PolarHBondContact O-N 3.16Å; V17-I20 PolarHBondContact O-N 3.12Å; V17-L21 HydrophobicContact CG1-CD1 3.88Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 WeakPolarHBondContact O-CB 3.46Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.39Å; V17-L21 PolarHBondContact O-N 3.1Å
18T94.8Very high88.7Confident75 Ų7599.7 Ų99.746%0.4653%0.53SS..Hα-helixtrans-65.8-39.417854.80000111.8V14 C15 L21 Y22V14-T18 HydrophobicContact CG1-CG2 4.36Å; V14-T18 VanDerWaalsContact O-CG2 3.32Å; V14-T18 WeakPolarHBondContact O-CG2 3.4Å; V14-T18 PolarHBondContact O-N 3.02Å; V14-T18 PolarHBondContact O-OG1 3.45Å; V14-T18 VanDerWaalsContact O-OG1 3.1Å; C15-T18 WeakPolarHBondContact CA-OG1 3.39Å; C15-T18 PolarHBondContact O-N 3.37Å; C15-T18 PolarHBondContact O-OG1 2.98Å; T18-L21 PolarHBondContact O-N 3.2Å; T18-Y22 VanDerWaalsContact O-CB 3.22Å; T18-Y22 WeakPolarHBondContact O-CB 3.29Å; T18-Y22 PolarHBondContact O-N 3.25Å
19V94.2Very high88Confident86 Ų86106 Ų10652%0.52154%0.544SS..Hα-helixtrans-62.9-42.4173.6170.70000111.1C15 F16 Y22 W23C15-V19 WeakPolarHBondContact O-CB 3.26Å; C15-V19 WeakPolarHBondContact O-CG2 3.14Å; C15-V19 PolarHBondContact O-N 2.92Å; F16-V19 PolarHBondContact O-N 3.33Å; V19-Y22 PolarHBondContact O-N 3.19Å; V19-W23 VanDerWaalsContact O-CB 3.28Å; V19-W23 WeakPolarHBondContact O-CB 3.46Å; V19-W23 PolarHBondContact O-N 2.82Å
20I93.1Very high87.6Confident70 Ų70104.8 Ų104.836%0.35953%0.534SS..Hα-helixtrans-63.4-48.1175.4-74.3173.4000111.1F16 V17 Y22 W23 L24F16-I20 HydrophobicContact CD1-CD1 3.59Å; F16-I20 HydrophobicContact CD1-CG1 4.5Å; F16-I20 HydrophobicContact CE1-CD1 3.23Å; F16-I20 HydrophobicContact CE1-CG1 4.32Å; F16-I20 HydrophobicContact CG-CD1 4.4Å; F16-I20 HydrophobicContact CZ-CD1 3.77Å; F16-I20 WeakPolarHBondContact O-CG1 3.25Å; F16-I20 PolarHBondContact O-N 3.29Å; V17-I20 PolarHBondContact O-N 3.12Å; I20-Y22 VanDerWaalsContact C-N 3.33Å; I20-Y22 PolarHBondContact O-N 3.04Å; I20-W23 PolarHBondContact O-N 3.48Å; I20-L24 HydrophobicContact CG2-CD1 3.75Å; I20-L24 HydrophobicContact CG2-CG 4.23Å; I20-L24 WeakPolarHBondContact O-CB 3.42Å; I20-L24 VanDerWaalsContact O-CG 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.4Å; I20-L24 PolarHBondContact O-N 3.25Å
21L90.9Very high87.5Confident105 Ų105104.2 Ų104.255%0.5553%0.528SS..Hα-helixtrans-63.2-41.2179.5-72.1174.9000111.4V17 T18 L24 S25V17-L21 HydrophobicContact CG1-CD1 3.88Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 WeakPolarHBondContact O-CB 3.46Å; V17-L21 VanDerWaalsContact O-CG 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.39Å; V17-L21 PolarHBondContact O-N 3.1Å; T18-L21 PolarHBondContact O-N 3.2Å; L21-L24 PolarHBondContact O-N 2.95Å; L21-S25 VanDerWaalsContact O-CB 3.29Å; L21-S25 WeakPolarHBondContact O-CB 3.36Å; L21-S25 PolarHBondContact O-N 2.95Å
22Y89.4Confident87.6Confident165 Ų165101.6 Ų101.665%0.64751%0.506SS*.Hα-helixtrans-60.6-48.5173.4179-101.9000110.8T18 V19 I20 L24 S25 V26T18-Y22 VanDerWaalsContact O-CB 3.22Å; T18-Y22 WeakPolarHBondContact O-CB 3.29Å; T18-Y22 PolarHBondContact O-N 3.25Å; V19-Y22 PolarHBondContact O-N 3.19Å; I20-Y22 VanDerWaalsContact C-N 3.33Å; I20-Y22 PolarHBondContact O-N 3.04Å; Y22-L24 VanDerWaalsContact C-N 3.34Å; Y22-L24 PolarHBondContact O-N 3.3Å; Y22-S25 PolarHBondContact O-N 3.49Å; Y22-S25 VanDerWaalsContact O-N 3.16Å; Y22-V26 HydrophobicContact CD1-CG2 4.18Å; Y22-V26 HydrophobicContact CD2-CG2 4.11Å; Y22-V26 HydrophobicContact CE1-CG2 3.82Å; Y22-V26 HydrophobicContact CE2-CG2 3.74Å; Y22-V26 HydrophobicContact CG-CG2 4.31Å; Y22-V26 WeakPolarHBondContact O-CB 3.49Å; Y22-V26 VanDerWaalsContact O-CG2 3.23Å; Y22-V26 WeakPolarHBondContact O-CG2 3.41Å; Y22-V26 PolarHBondContact O-N 2.93Å
23W86.3Confident87.6Confident153 Ų15397 Ų9758%0.5848%0.478SS*.Hα-helixtrans-62.2-40.4178.5-171.380.2000112.6V19 I20 R27V19-W23 VanDerWaalsContact O-CB 3.28Å; V19-W23 WeakPolarHBondContact O-CB 3.46Å; V19-W23 PolarHBondContact O-N 2.82Å; I20-W23 PolarHBondContact O-N 3.48Å; W23-R27 PolarHBondContact O-N 3.07Å
24L82.6Confident87.7Confident88 Ų8893.2 Ų93.246%0.46146%0.455SS..Hα-helixtrans-65.6-38.4174.2-71.6173.5000112.1I20 L21 Y22 R27I20-L24 HydrophobicContact CG2-CD1 3.75Å; I20-L24 HydrophobicContact CG2-CG 4.23Å; I20-L24 WeakPolarHBondContact O-CB 3.42Å; I20-L24 VanDerWaalsContact O-CG 3.25Å; I20-L24 WeakPolarHBondContact O-CG 3.4Å; I20-L24 PolarHBondContact O-N 3.25Å; L21-L24 PolarHBondContact O-N 2.95Å; Y22-L24 VanDerWaalsContact C-N 3.34Å; Y22-L24 PolarHBondContact O-N 3.3Å; L24-R27 WeakPolarHBondContact O-CB 3.24Å; L24-R27 PolarHBondContact O-N 3.35Å
25S76.4Confident87.7Confident104 Ų10489.3 Ų89.373%0.72743%0.431SS*.Hα-helixtrans-73.8-32.3179-168.10000112.9L21 Y22 R27L21-S25 VanDerWaalsContact O-CB 3.29Å; L21-S25 WeakPolarHBondContact O-CB 3.36Å; L21-S25 PolarHBondContact O-N 2.95Å; Y22-S25 PolarHBondContact O-N 3.49Å; Y22-S25 VanDerWaalsContact O-N 3.16Å; S25-R27 VanDerWaalsContact C-N 3.25Å; S25-R27 PolarHBondContact O-N 3.46Å
26V73Confident87.8Confident82 Ų8285.8 Ų85.850%0.49741%0.407SS..Hα-helixtrans-77.8-13.7177.5174.10000111.8Y22 K28Y22-V26 HydrophobicContact CD1-CG2 4.18Å; Y22-V26 HydrophobicContact CD2-CG2 4.11Å; Y22-V26 HydrophobicContact CE1-CG2 3.82Å; Y22-V26 HydrophobicContact CE2-CG2 3.74Å; Y22-V26 HydrophobicContact CG-CG2 4.31Å; Y22-V26 WeakPolarHBondContact O-CB 3.49Å; Y22-V26 VanDerWaalsContact O-CG2 3.23Å; Y22-V26 WeakPolarHBondContact O-CG2 3.41Å; Y22-V26 PolarHBondContact O-N 2.93Å; V26-K28 PolarHBondContact O-N 3.3Å
27R68Low87.8Confident160 Ų16079.2 Ų79.260%0.60438%0.378SS*.SBendtrans-62.495.9177.1-140.2176.4-168.4-179.83.2109.6W23 L24 S25 R29W23-R27 PolarHBondContact O-N 3.07Å; L24-R27 WeakPolarHBondContact O-CB 3.24Å; L24-R27 PolarHBondContact O-N 3.35Å; S25-R27 VanDerWaalsContact C-N 3.25Å; S25-R27 PolarHBondContact O-N 3.46Å; R27-R29 PolarHBondContact O-N 3.03Å
28K66.3Low87.7Confident135 Ų13577.3 Ų77.359%0.58737%0.37SS*.  trans-55.6121.1-179.4-69.4-167.3176.5-164.80109.6V26 L30V26-K28 PolarHBondContact O-N 3.3Å; K28-L30 PolarHBondContact O-N 3.43Å
29R76.9Confident87.6Confident222 Ų22276.4 Ų76.484%0.83837%0.366SS*.  trans-77.7108.4174.4-69-175-179.7168.90.6108.4R27 K31R27-R29 PolarHBondContact O-N 3.03Å; R29-K31 PolarHBondContact O-N 2.89Å
30L84.6Confident87.5Confident49 Ų4978 Ų7826%0.25737%0.372SS..  trans-63.5123.8169-54.2178000107.9K28 L97 E98 L100 N134K28-L30 PolarHBondContact O-N 3.43Å; L30-L97 WeakPolarHBondContact CD2-O 3.36Å; L30-E98 WeakPolarHBondContact CA-O 3.4Å; L30-L100 HydrophobicContact CB-CB 3.93Å; L30-L100 HydrophobicContact CB-CD1 4.07Å; L30-N134 HydrophobicContact CD1-CB 4.07Å
31K91Very high87.6Confident95 Ų9574.7 Ų74.741%0.41336%0.355SS..  trans-139.5-15.2-175.265.2-177.6179.1175.60113.4R29 V77 E98R29-K31 PolarHBondContact O-N 2.89Å; K31-V77 HydrophobicContact CD-CG2 4.02Å; K31-V77 HydrophobicContact CG-CG2 4.18Å; K31-V77 PolarHBondContact O-N 3.32Å; K31-E98 PolarHBondContact N-O 3.16Å; K31-E98 VanDerWaalsContact N-O 3.15Å
32N95.4Very high87.7Confident4 Ų470.3 Ų70.32%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-84132.2-173.5-57.4-24.3000109.7L34 V77 E98 T99 L100 A101N32-L34 HydrophobicContact CB-CD1 3.86Å; N32-V77 CarbonylContact C-O 3.51Å; N32-V77 VanDerWaalsContact CA-O 3.28Å; N32-V77 WeakPolarHBondContact CA-O 3.49Å; N32-V77 WeakPolarHBondContact OD1-CB 3.44Å; N32-E98 PolarHBondContact N-O 3.34Å; N32-E98 VanDerWaalsContact ND2-CB 3.3Å; N32-E98 WeakPolarHBondContact ND2-CB 3.42Å; N32-T99 WeakPolarHBondContact O-CA 3.3Å; N32-L100 PolarHBondContact O-N 3.05Å; N32-A101 PolarHBondContact O-N 3.28Å
33V97.1Very high88Confident0 Ų062.9 Ų62.90%031%0.306CS..EExtended strand (participates in β ladder)trans-114.9114.2170.3-1770000107.8L76 V77 L78 V79 A101 V103 L220 L223V33-L76 HydrophobicContact CG2-CD1 4.35Å; V33-L76 HydrophobicContact CG2-CD2 4.46Å; V33-V77 PolarHBondContact N-O 3.42Å; V33-L78 HydrophobicContact CB-CD2 3.7Å; V33-L78 HydrophobicContact CG1-CD2 4.28Å; V33-L78 HydrophobicContact CG2-CD2 4.16Å; V33-L78 WeakPolarHBondContact O-CA 3.34Å; V33-V79 PolarHBondContact O-N 3Å; V33-A101 WeakPolarHBondContact CA-O 3.14Å; V33-A101 HydrophobicContact CG1-CB 4.25Å; V33-A101 HydrophobicContact CG2-CB 4.2Å; V33-V103 HydrophobicContact CG1-CG2 3.92Å; V33-L220 HydrophobicContact CG1-CD2 3.97Å; V33-L220 HydrophobicContact CG2-CD2 4.31Å; V33-L223 HydrophobicContact CG2-CD1 3.76Å
34L97.6Very high88.3Confident0 Ų056.8 Ų56.80%029%0.286CS..EExtended strand (participates in β ladder)trans-98.1128.7-176.5-69.357.5000109.7N32 I36 V79 V81 T99 A101 L102 V103N32-L34 HydrophobicContact CB-CD1 3.86Å; L34-I36 HydrophobicContact CB-CG2 4.04Å; L34-V79 CarbonylContact C-O 3.57Å; L34-V79 WeakPolarHBondContact CA-O 3.48Å; L34-V79 HydrophobicContact CG-CB 4.26Å; L34-V81 HydrophobicContact CB-CG2 4.07Å; L34-V81 HydrophobicContact CD2-CG2 4.29Å; L34-V81 HydrophobicContact CG-CG2 4.23Å; L34-T99 HydrophobicContact CD1-CG2 3.95Å; L34-T99 WeakPolarHBondContact CD1-OG1 3.34Å; L34-A101 PolarHBondContact N-O 2.96Å; L34-A101 VanDerWaalsContact N-O 3.14Å; L34-L102 HydrophobicContact CB-CD2 3.75Å; L34-L102 HydrophobicContact CD2-CD2 4.1Å; L34-L102 HydrophobicContact CG-CD2 4.39Å; L34-V103 PolarHBondContact O-N 3.44Å
35F97.2Very high88.8Confident0 Ų053.6 Ų53.60%027%0.27CS..EExtended strand (participates in β ladder)trans-88.1111.3167.5-65.4-99.4000108K43 L46 F47 I50 L78 V79 V81 V103 V105F35-K43 HydrophobicContact CB-CB 4.41Å; F35-L46 HydrophobicContact CD1-CD2 3.76Å; F35-L46 HydrophobicContact CD1-CG 4.21Å; F35-L46 HydrophobicContact CE1-CD2 3.72Å; F35-L46 HydrophobicContact CE1-CG 3.93Å; F35-F47 HydrophobicContact CD2-CD2 4.43Å; F35-I50 HydrophobicContact CE1-CD1 3.87Å; F35-I50 HydrophobicContact CZ-CD1 3.76Å; F35-L78 HydrophobicContact CE2-CB 3.98Å; F35-L78 HydrophobicContact CE2-CD1 3.9Å; F35-L78 HydrophobicContact CE2-CD2 4.04Å; F35-L78 HydrophobicContact CE2-CG 4.18Å; F35-L78 HydrophobicContact CZ-CD1 4.16Å; F35-V79 PolarHBondContact N-O 3.49Å; F35-V81 VanDerWaalsContact O-CB 3.32Å; F35-V81 WeakPolarHBondContact O-CB 3.43Å; F35-V81 PolarHBondContact O-N 3.05Å; F35-V103 WeakPolarHBondContact CA-O 3.44Å; F35-V103 HydrophobicContact CD1-CB 3.82Å; F35-V103 HydrophobicContact CD1-CG1 3.85Å; F35-V103 HydrophobicContact CD1-CG2 4.38Å; F35-V103 HydrophobicContact CE1-CB 4.02Å; F35-V103 HydrophobicContact CE1-CG1 3.97Å; F35-V103 HydrophobicContact CE1-CG2 4.11Å; F35-V103 HydrophobicContact CG-CB 4.36Å; F35-V103 HydrophobicContact CZ-CG2 4.41Å; F35-V105 HydrophobicContact CD1-CG2 4.38Å
36I97.3Very high89.6Confident1 Ų148.7 Ų48.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-124.5158.7-176.561.1170.6000110.2L34 K43 V81 I92 L102 V103 F104 V105 F121 I125L34-I36 HydrophobicContact CB-CG2 4.04Å; I36-K43 VanDerWaalsContact C-CD 3.43Å; I36-V81 HydrophobicContact CG2-CB 3.98Å; I36-V81 HydrophobicContact CG2-CG1 4.42Å; I36-V81 HydrophobicContact CG2-CG2 3.8Å; I36-I92 HydrophobicContact CG2-CD1 4.05Å; I36-I92 HydrophobicContact CG2-CG1 4.12Å; I36-L102 HydrophobicContact CD1-CB 4.31Å; I36-L102 HydrophobicContact CD1-CD1 4.18Å; I36-L102 HydrophobicContact CD1-CD2 4.21Å; I36-L102 HydrophobicContact CD1-CG 4.46Å; I36-V103 PolarHBondContact N-O 2.97Å; I36-F104 HydrophobicContact CD1-CD2 3.72Å; I36-F104 HydrophobicContact CD1-CE2 4.45Å; I36-F104 HydrophobicContact CG1-CB 4.26Å; I36-F104 HydrophobicContact CG1-CD2 3.82Å; I36-F104 HydrophobicContact CG1-CG 4.38Å; I36-F104 CarbonylContact O-C 3.1Å; I36-F104 WeakPolarHBondContact O-CA 3.4Å; I36-V105 PolarHBondContact O-N 3.29Å; I36-F121 HydrophobicContact CB-CE1 4.12Å; I36-F121 HydrophobicContact CB-CZ 3.99Å; I36-F121 HydrophobicContact CD1-CE1 4.39Å; I36-F121 HydrophobicContact CD1-CZ 4.01Å; I36-F121 HydrophobicContact CG1-CE1 4.45Å; I36-F121 HydrophobicContact CG1-CZ 4.4Å; I36-I125 HydrophobicContact CD1-CD1 3.79Å; I36-I125 HydrophobicContact CD1-CG1 3.88Å
37G96.5Very high90.6Very high0 Ų045 Ų450%021%0.213CC..  trans151.9169.3-178.800000111.9K43G37-K43 WeakPolarHBondContact O-CE 3.47Å; G37-K43 PolarHBondContact O-NZ 3.47Å; G37-K43 VanDerWaalsContact O-NZ 3.13Å
38A94Very high91.8Very high30 Ų3037.8 Ų37.825%0.24819%0.187CC..SBendtrans-57.5163.7177.600000112.3S41 K43 V118A38-S41 WeakPolarHBondContact O-CB 3.12Å; A38-S41 PolarHBondContact O-N 2.82Å; A38-S41 PolarHBondContact O-OG 3.37Å; A38-K43 PolarHBondContact O-NZ 3.17Å; A38-V118 HydrophobicContact CB-CG2 4.3Å
39C92.5Very high93Very high56 Ų5632.5 Ų32.538%0.37817%0.167SC..THydrogen-bonded Turntrans-53.8149.9169.8-680000110.8S41C39-S41 PolarHBondContact O-N 3.29Å
40D92.2Very high93.7Very high119 Ų11923.2 Ų23.264%0.63613%0.134SC*.THydrogen-bonded Turntrans59.73178.7-55.1-35.5000117.7G42 K144D40-G42 PolarHBondContact O-N 2.88Å; D40-G42 VanDerWaalsContact O-N 3.08Å; D40-K144 WeakPolarHBondContact O-CE 3.28Å; D40-K144 PolarHBondContact O-NZ 3.48Å
41S94.6Very high93.9Very high1 Ų122.6 Ų22.61%0.00713%0.132CC..SBendtrans-59.9-18172.6510000114.7A38 C39 K43 V105 N143A38-S41 WeakPolarHBondContact O-CB 3.12Å; A38-S41 PolarHBondContact O-N 2.82Å; A38-S41 PolarHBondContact O-OG 3.37Å; C39-S41 PolarHBondContact O-N 3.29Å; S41-K43 WeakPolarHBondContact OG-CG 3.01Å; S41-K43 PolarHBondContact OG-NZ 3.39Å; S41-V105 WeakPolarHBondContact CB-O 3.48Å; S41-V105 VanDerWaalsContact O-CG1 3.29Å; S41-V105 WeakPolarHBondContact O-CG1 3.45Å; S41-N143 PolarHBondContact O-ND2 3.44Å
42G93.5Very high93.6Very high12 Ų1225 Ų2512%0.12414%0.14CC..SBendtrans95.420.8177.900000115.3D40 T44 T45 L46D40-G42 PolarHBondContact O-N 2.88Å; D40-G42 VanDerWaalsContact O-N 3.08Å; G42-T44 PolarHBondContact O-N 3.19Å; G42-T45 PolarHBondContact O-N 3.13Å; G42-L46 VanDerWaalsContact O-CB 3.27Å; G42-L46 WeakPolarHBondContact O-CB 3.34Å; G42-L46 PolarHBondContact O-N 2.91Å
43K94.4Very high93Very high9 Ų927.4 Ų27.44%0.03917%0.165CC..Hα-helixtrans-52.8-51.6176.9-59176.3-60.8-66.70113F35 I36 G37 A38 S41 L46 F47 D80 V81 V105F35-K43 HydrophobicContact CB-CB 4.41Å; I36-K43 VanDerWaalsContact C-CD 3.43Å; G37-K43 WeakPolarHBondContact O-CE 3.47Å; G37-K43 PolarHBondContact O-NZ 3.47Å; G37-K43 VanDerWaalsContact O-NZ 3.13Å; A38-K43 PolarHBondContact O-NZ 3.17Å; S41-K43 WeakPolarHBondContact OG-CG 3.01Å; S41-K43 PolarHBondContact OG-NZ 3.39Å; K43-L46 WeakPolarHBondContact O-CB 3.09Å; K43-L46 PolarHBondContact O-N 3.4Å; K43-F47 WeakPolarHBondContact O-CB 3.43Å; K43-F47 PolarHBondContact O-N 2.91Å; K43-D80 VanDerWaalsContact CB-OD1 3.25Å; K43-D80 WeakPolarHBondContact CB-OD1 3.3Å; K43-V81 WeakPolarHBondContact CE-O 3.37Å; K43-V105 HydrophobicContact CG-CB 3.94Å; K43-V105 HydrophobicContact CG-CG2 3.95Å
44T92.9Very high92Very high26 Ų2633.1 Ų33.116%0.1620%0.196CC..Hα-helixtrans-68.6-39.6-176.6-47.90000112G42 L46 F47 S48 T58 S61 D80G42-T44 PolarHBondContact O-N 3.19Å; T44-L46 VanDerWaalsContact C-N 3.33Å; T44-L46 PolarHBondContact O-N 3.35Å; T44-F47 PolarHBondContact O-N 2.58Å; T44-S48 VanDerWaalsContact O-CB 3.27Å; T44-S48 WeakPolarHBondContact O-CB 3.4Å; T44-S48 PolarHBondContact O-N 2.97Å; T44-T58 HydrophobicContact CG2-CG2 3.54Å; T44-S61 PolarHBondContact OG1-OG 3.13Å; T44-S61 VanDerWaalsContact OG1-OG 3.05Å; T44-D80 WeakPolarHBondContact CA-OD2 3.36Å; T44-D80 VanDerWaalsContact CB-OD2 3.25Å; T44-D80 WeakPolarHBondContact CB-OD2 2.98Å; T44-D80 VanDerWaalsContact CG2-OD2 3.32Å; T44-D80 WeakPolarHBondContact CG2-OD2 3.28Å; T44-D80 PolarHBondContact OG1-OD2 3Å
45T93.5Very high90.6Very high21 Ų2136 Ų3613%0.12921%0.214CC..Hα-helixtrans-61.3-44.3173-46.70000110.9G42 S48 S49 P55 T58 A209 T210G42-T45 PolarHBondContact O-N 3.13Å; T45-S48 PolarHBondContact O-N 3.28Å; T45-S49 WeakPolarHBondContact O-CB 3.02Å; T45-S49 PolarHBondContact O-N 2.73Å; T45-P55 HydrophobicContact CG2-CB 3.81Å; T45-T58 PolarHBondContact OG1-OG1 3.18Å; T45-A209 HydrophobicContact CG2-CB 4.08Å; T45-T210 HydrophobicContact CG2-CG2 4.29Å
46L93.9Very high89.3Confident0 Ų038.7 Ų38.70%023%0.233CC..Hα-helixtrans-65.5-44.6178.4178.461.9000112F35 G42 K43 T44 S49 I50 V103 V105 I207 A209 A213 I216F35-L46 HydrophobicContact CD1-CD2 3.76Å; F35-L46 HydrophobicContact CD1-CG 4.21Å; F35-L46 HydrophobicContact CE1-CD2 3.72Å; F35-L46 HydrophobicContact CE1-CG 3.93Å; G42-L46 VanDerWaalsContact O-CB 3.27Å; G42-L46 WeakPolarHBondContact O-CB 3.34Å; G42-L46 PolarHBondContact O-N 2.91Å; K43-L46 WeakPolarHBondContact O-CB 3.09Å; K43-L46 PolarHBondContact O-N 3.4Å; T44-L46 VanDerWaalsContact C-N 3.33Å; T44-L46 PolarHBondContact O-N 3.35Å; L46-S49 PolarHBondContact O-N 3.08Å; L46-I50 HydrophobicContact CD1-CD1 3.86Å; L46-I50 HydrophobicContact CD1-CG1 4.33Å; L46-I50 HydrophobicContact CG-CD1 4Å; L46-I50 WeakPolarHBondContact O-CG1 3.46Å; L46-I50 PolarHBondContact O-N 3.3Å; L46-V103 HydrophobicContact CD2-CG1 4.47Å; L46-V105 HydrophobicContact CD2-CG2 3.87Å; L46-I207 HydrophobicContact CD1-CD1 3.89Å; L46-I207 HydrophobicContact CD2-CD1 3.86Å; L46-I207 HydrophobicContact CG-CD1 4.46Å; L46-A209 HydrophobicContact CB-CB 3.91Å; L46-A209 HydrophobicContact CD1-CB 4.26Å; L46-A213 HydrophobicContact CD1-CB 3.83Å; L46-I216 HydrophobicContact CD1-CD1 3.88Å; L46-I216 HydrophobicContact CD2-CD1 3.49Å; L46-I216 VanDerWaalsContact CD2-CD1 3.49Å; L46-I216 HydrophobicContact CG-CD1 4.21Å
47F94Very high87.7Confident4 Ų444.2 Ų44.22%0.01827%0.272CS..Hα-helixtrans-57.9-49.1173.9171.1-90.5000111.1F35 K43 T44 S49 I50 V51 Y52 N65 L78 D80F35-F47 HydrophobicContact CD2-CD2 4.43Å; K43-F47 WeakPolarHBondContact O-CB 3.43Å; K43-F47 PolarHBondContact O-N 2.91Å; T44-F47 PolarHBondContact O-N 2.58Å; F47-S49 PolarHBondContact O-N 2.91Å; F47-I50 PolarHBondContact O-N 3.34Å; F47-V51 HydrophobicContact CD1-CG2 4.49Å; F47-V51 HydrophobicContact CD2-CG2 4.01Å; F47-V51 HydrophobicContact CE1-CG2 4.22Å; F47-V51 HydrophobicContact CE2-CG2 3.73Å; F47-V51 HydrophobicContact CG-CG2 4.39Å; F47-V51 HydrophobicContact CZ-CB 4.5Å; F47-V51 HydrophobicContact CZ-CG2 3.84Å; F47-V51 WeakPolarHBondContact O-CB 3.46Å; F47-V51 WeakPolarHBondContact O-CG2 3.41Å; F47-V51 PolarHBondContact O-N 2.97Å; F47-Y52 HydrophobicContact CE1-CE2 4.12Å; F47-N65 HydrophobicContact CD1-CB 4.19Å; F47-N65 HydrophobicContact CE1-CB 3.66Å; F47-N65 HydrophobicContact CZ-CB 3.91Å; F47-L78 HydrophobicContact CD2-CB 4.06Å; F47-L78 HydrophobicContact CE2-CB 3.79Å; F47-D80 HydrophobicContact CB-CB 4Å; F47-D80 HydrophobicContact CD1-CB 4.27Å; F47-D80 HydrophobicContact CD2-CB 3.94Å; F47-D80 HydrophobicContact CE2-CB 4.49Å; F47-D80 HydrophobicContact CG-CB 3.81Å
48S91.8Very high86.6Confident9 Ų946.8 Ų46.86%0.06329%0.288CS..Hα-helixtrans-61.8-42.7179.3-167.90000111.7T44 T45 I50 Y52 G53 N54 S56T44-S48 VanDerWaalsContact O-CB 3.27Å; T44-S48 WeakPolarHBondContact O-CB 3.4Å; T44-S48 PolarHBondContact O-N 2.97Å; T45-S48 PolarHBondContact O-N 3.28Å; S48-I50 PolarHBondContact O-N 3.43Å; S48-Y52 WeakPolarHBondContact O-CA 3.4Å; S48-Y52 WeakPolarHBondContact O-CB 3.45Å; S48-Y52 PolarHBondContact O-N 3.25Å; S48-G53 PolarHBondContact O-N 3.29Å; S48-N54 PolarHBondContact OG-O 2.92Å; S48-S56 PolarHBondContact OG-OG 2.96Å; S48-S56 VanDerWaalsContact OG-OG 3.12Å
49S92Very high85.5Confident25 Ų2554.4 Ų54.418%0.17532%0.315CS..Hα-helixtrans-59.1-43.4174.71770000112.3T45 L46 F47 G53T45-S49 WeakPolarHBondContact O-CB 3.02Å; T45-S49 PolarHBondContact O-N 2.73Å; L46-S49 PolarHBondContact O-N 3.08Å; F47-S49 PolarHBondContact O-N 2.91Å; S49-G53 WeakPolarHBondContact O-CA 3.42Å; S49-G53 PolarHBondContact O-N 3.4Å; S49-G53 VanDerWaalsContact O-N 3.08Å
50I91Very high84.6Confident27 Ų2756 Ų5614%0.13832%0.324CS..Hα-helixtrans-75.6-42.2-178.2-66.2167.5000112F35 L46 F47 S48 L69 L78 I216 L220F35-I50 HydrophobicContact CE1-CD1 3.87Å; F35-I50 HydrophobicContact CZ-CD1 3.76Å; L46-I50 HydrophobicContact CD1-CD1 3.86Å; L46-I50 HydrophobicContact CD1-CG1 4.33Å; L46-I50 HydrophobicContact CG-CD1 4Å; L46-I50 WeakPolarHBondContact O-CG1 3.46Å; L46-I50 PolarHBondContact O-N 3.3Å; F47-I50 PolarHBondContact O-N 3.34Å; S48-I50 PolarHBondContact O-N 3.43Å; I50-L69 HydrophobicContact CG2-CD2 3.76Å; I50-L78 HydrophobicContact CB-CD1 4.4Å; I50-L78 HydrophobicContact CG2-CD1 3.64Å; I50-I216 HydrophobicContact CD1-CB 4.44Å; I50-I216 HydrophobicContact CD1-CG2 3.65Å; I50-L220 HydrophobicContact CG2-CD1 4.4Å
51V88.9Confident83.6Confident35 Ų3551.5 Ų51.521%0.21230%0.301CS..Hα-helixtrans-82-41.2-173.6178.90000111.8F47 L78F47-V51 HydrophobicContact CD1-CG2 4.49Å; F47-V51 HydrophobicContact CD2-CG2 4.01Å; F47-V51 HydrophobicContact CE1-CG2 4.22Å; F47-V51 HydrophobicContact CE2-CG2 3.73Å; F47-V51 HydrophobicContact CG-CG2 4.39Å; F47-V51 HydrophobicContact CZ-CB 4.5Å; F47-V51 HydrophobicContact CZ-CG2 3.84Å; F47-V51 WeakPolarHBondContact O-CB 3.46Å; F47-V51 WeakPolarHBondContact O-CG2 3.41Å; F47-V51 PolarHBondContact O-N 2.97Å; V51-L78 HydrophobicContact CG2-CB 4.41Å; V51-L78 HydrophobicContact CG2-CD1 3.82Å
52Y86.4Confident82.6Confident147 Ų14758.2 Ų58.258%0.57634%0.336SS*.Hα-helixtrans-110.7-6.6-172.3-51.3-58.5000113.6F47 S48 N54F47-Y52 HydrophobicContact CE1-CE2 4.12Å; S48-Y52 WeakPolarHBondContact O-CA 3.4Å; S48-Y52 WeakPolarHBondContact O-CB 3.45Å; S48-Y52 PolarHBondContact O-N 3.25Å; Y52-N54 PolarHBondContact O-N 3.47Å
53G82.1Confident82Confident54 Ų5463.4 Ų63.456%0.55736%0.361SS*.SBendtrans76-3.4-179.700000115S48 S49S48-G53 PolarHBondContact O-N 3.29Å; S49-G53 WeakPolarHBondContact O-CA 3.42Å; S49-G53 PolarHBondContact O-N 3.4Å; S49-G53 VanDerWaalsContact O-N 3.08Å
54N76.6Confident81.7Confident120 Ų12064.9 Ų64.964%0.64237%0.368SS*.SBendtrans-128.5121.9-177.5-75.7-33000111.3S48 Y52 S56S48-N54 PolarHBondContact OG-O 2.92Å; Y52-N54 PolarHBondContact O-N 3.47Å; N54-S56 PolarHBondContact O-N 3.26Å
55P67.9Low81.6Confident59 Ų5966.5 Ų66.538%0.38338%0.376SS..  trans-72.2109.6172.428.6-30.8000109.6T45 T210T45-P55 HydrophobicContact CG2-CB 3.81Å; P55-T210 HydrophobicContact CB-CG2 4.45Å
56S68.8Low81.5Confident58 Ų5868.8 Ų68.841%0.40639%0.39SS..  trans-87.9153.4175.852.80000111.7S48 N54 T58S48-S56 PolarHBondContact OG-OG 2.96Å; S48-S56 VanDerWaalsContact OG-OG 3.12Å; N54-S56 PolarHBondContact O-N 3.26Å; S56-T58 WeakPolarHBondContact O-CG2 3.34Å; S56-T58 PolarHBondContact O-N 3.36Å
57S63.8Low81.4Confident116 Ų11669.1 Ų69.181%0.81139%0.393SS*.  trans-63.6124.7167.655.10000110
58T73.1Confident81.3Confident55 Ų5575 Ų7534%0.33743%0.425SS..  trans-117.8145-173.553.50000112.1T44 T45 S56T44-T58 HydrophobicContact CG2-CG2 3.54Å; T45-T58 PolarHBondContact OG1-OG1 3.18Å; S56-T58 WeakPolarHBondContact O-CG2 3.34Å; S56-T58 PolarHBondContact O-N 3.36Å
59F72.5Confident81.2Confident190 Ų19075.7 Ų75.783%0.83343%0.427SS*.  trans-106.2174.5165.9-62.7-81.6000110.1S61F59-S61 PolarHBondContact O-N 2.95Å; F59-S61 VanDerWaalsContact O-N 3.07Å
60T72Confident81.1Confident90 Ų9081 Ų8155%0.55245%0.45SS*.  trans-56.6113.2177.2-51.80000111.4L62T60-L62 PolarHBondContact O-N 3.24Å
61S72Confident80.9Confident23 Ų2380.1 Ų80.116%0.16145%0.445CS..  trans-62.7127.7176.6-55.40000111.2T44 F59 P82T44-S61 PolarHBondContact OG1-OG 3.13Å; T44-S61 VanDerWaalsContact OG1-OG 3.05Å; F59-S61 PolarHBondContact O-N 2.95Å; F59-S61 VanDerWaalsContact O-N 3.07Å; S61-P82 WeakPolarHBondContact O-CB 3.34Å
62L73.4Confident80.6Confident142 Ų14285.1 Ų85.174%0.74347%0.471SS*.SBendtrans-90.4-32.3175.7-70.3168.5000112.5T60T60-L62 PolarHBondContact O-N 3.24Å
63N81.3Confident80.5Confident121 Ų12188 Ų8865%0.64749%0.486SS*.SBendtrans-122.9162.8177.1-64.2-36000109.9
64E87.2Confident80.7Confident40 Ų4089.7 Ų89.719%0.18748%0.478CS..  trans-69.8139.6173.873.8-80.9-157.900112.3V66 V79 D80 I91 K94 Y95E64-V66 HydrophobicContact CG-CG2 4.11Å; E64-V79 HydrophobicContact CB-CG1 4.1Å; E64-V79 HydrophobicContact CG-CG1 4.33Å; E64-D80 VanDerWaalsContact CA-O 3.26Å; E64-D80 WeakPolarHBondContact CA-O 3.34Å; E64-D80 WeakPolarHBondContact CB-O 3.47Å; E64-I91 HydrophobicContact CB-CD1 4.49Å; E64-I91 HydrophobicContact CB-CG1 4.48Å; E64-I91 HydrophobicContact CB-CG2 3.91Å; E64-I91 HydrophobicContact CG-CD1 4.49Å; E64-I91 HydrophobicContact CG-CG2 4.41Å; E64-I91 WeakPolarHBondContact OE2-CD1 3.25Å; E64-K94 IonicContact OE1-NZ 2.65Å; E64-K94 PolarHBondContact OE1-NZ 3.49Å; E64-Y95 HydrophobicContact CG-CE2 4.02Å
65N90.6Very high81.3Confident61 Ų6186.8 Ų86.833%0.32647%0.471SS..EExtended strand (participates in β ladder)trans-96133.8167.9-55.6-63.7000108.8F47 V79 D80F47-N65 HydrophobicContact CD1-CB 4.19Å; F47-N65 HydrophobicContact CE1-CB 3.66Å; F47-N65 HydrophobicContact CZ-CB 3.91Å; N65-V79 CarbonylContact O-C 3.54Å; N65-V79 WeakPolarHBondContact O-CA 3.23Å; N65-D80 HydrophobicContact CB-CB 3.94Å; N65-D80 PolarHBondContact N-O 3.42Å; N65-D80 PolarHBondContact ND2-OD2 3.41Å; N65-D80 PolarHBondContact O-N 3.32Å
66V92.9Very high82.6Confident69 Ų6984.3 Ų84.342%0.41845%0.454SS..EExtended strand (participates in β ladder)trans-118.9127.1179.4-175.60000109E64 V77 L78 V79 Y95E64-V66 HydrophobicContact CG-CG2 4.11Å; V66-V77 HydrophobicContact CG1-CG1 3.57Å; V66-L78 WeakPolarHBondContact CA-O 3.04Å; V66-V79 HydrophobicContact CG2-CG2 4.45Å; V66-Y95 WeakPolarHBondContact CG2-OH 3.49Å
67G91.8Very high83.8Confident6 Ų682.4 Ų82.46%0.06244%0.44CS..EExtended strand (participates in β ladder)trans-131.9139.5-179.700000110.9L78G67-L78 PolarHBondContact N-O 3.42Å; G67-L78 PolarHBondContact O-N 3.02Å
68N91.2Very high85.3Confident128 Ų12876.9 Ų76.968%0.68440%0.401SS*.EExtended strand (participates in β ladder)trans-92.2131.9174.2-66.7-39.3000109.3
69L90.2Very high86.4Confident23 Ų2374.2 Ų74.212%0.1239%0.385CS..EExtended strand (participates in β ladder)trans-124117.6177.6-178.362.6000109.4I50 I71 L76 L78 L220I50-L69 HydrophobicContact CG2-CD2 3.76Å; L69-I71 HydrophobicContact CD1-CG1 4.29Å; L69-I71 HydrophobicContact CD2-CD1 3.36Å; L69-I71 HydrophobicContact CD2-CG1 3.98Å; L69-I71 HydrophobicContact CG-CD1 3.79Å; L69-I71 HydrophobicContact CG-CG1 3.83Å; L69-L76 PolarHBondContact N-O 3.5Å; L69-L76 PolarHBondContact O-N 3.01Å; L69-L78 HydrophobicContact CB-CD1 4.14Å; L69-L78 HydrophobicContact CB-CG 4.01Å; L69-L78 HydrophobicContact CD2-CD1 3.74Å; L69-L78 HydrophobicContact CD2-CD2 4.35Å; L69-L78 HydrophobicContact CD2-CG 4.24Å; L69-L220 HydrophobicContact CD2-CD1 3.96Å
70Q89.5Confident87.5Confident138 Ų13865.2 Ų65.265%0.64535%0.346SS*.EExtended strand (participates in β ladder)trans-93.1111.3171-68.9-70.1-6.100108.3K74Q70-K74 PolarHBondContact OE1-O 2.87Å
71I86.5Confident88.6Confident7 Ų760.9 Ų60.94%0.03632%0.319CS..EExtended strand (participates in β ladder)trans-117118172.5-73.6163.9000107.7L69 K73 K74 L76 L220 V221L69-I71 HydrophobicContact CD1-CG1 4.29Å; L69-I71 HydrophobicContact CD2-CD1 3.36Å; L69-I71 HydrophobicContact CD2-CG1 3.98Å; L69-I71 HydrophobicContact CG-CD1 3.79Å; L69-I71 HydrophobicContact CG-CG1 3.83Å; I71-K73 PolarHBondContact O-N 3.07Å; I71-K74 PolarHBondContact N-O 3.31Å; I71-K74 PolarHBondContact O-N 2.77Å; I71-L76 HydrophobicContact CD1-CD1 4.36Å; I71-L220 HydrophobicContact CD1-CB 3.72Å; I71-L220 HydrophobicContact CD1-CD1 4.37Å; I71-V221 HydrophobicContact CG2-CB 4.15Å; I71-V221 HydrophobicContact CG2-CG2 3.47Å; I71-V221 VanDerWaalsContact CG2-CG2 3.47Å
72D83.2Confident89.6Confident141 Ų14159.9 Ų59.975%0.75431%0.312SS*.THydrogen-bonded Turntrans51.4-104.1-176.3-59.9-31.4000112.9
73K83.5Confident90.1Very high208 Ų20853.4 Ų53.490%0.90428%0.279SS*.THydrogen-bonded Turntrans-1107.2179.5-61.3-177.1-178.5178.30112.9I71I71-K73 PolarHBondContact O-N 3.07Å
74K86.9Confident90.3Very high88 Ų8852.9 Ų52.938%0.38327%0.273SS..EExtended strand (participates in β ladder)trans-111.8128-175.4-63.6174.9-170.61630110.1Q70 I71 V221 L223Q70-K74 PolarHBondContact OE1-O 2.87Å; I71-K74 PolarHBondContact N-O 3.31Å; I71-K74 PolarHBondContact O-N 2.77Å; K74-V221 PolarHBondContact NZ-O 2.86Å; K74-L223 WeakPolarHBondContact CE-OXT 3.33Å; K74-L223 PolarHBondContact NZ-OXT 3.41Å
75A90.1Very high90.1Very high59 Ų5955.4 Ų55.449%0.48829%0.288SS..EExtended strand (participates in β ladder)trans-95106.5169.500000108.9
76L93.8Very high89.8Confident7 Ų760.9 Ų60.94%0.03731%0.309CS..EExtended strand (participates in β ladder)trans-99146.4175.4-60.2179000110V33 L69 I71 L78 L100 L220 L223V33-L76 HydrophobicContact CG2-CD1 4.35Å; V33-L76 HydrophobicContact CG2-CD2 4.46Å; L69-L76 PolarHBondContact N-O 3.5Å; L69-L76 PolarHBondContact O-N 3.01Å; I71-L76 HydrophobicContact CD1-CD1 4.36Å; L76-L78 HydrophobicContact CB-CD2 4.42Å; L76-L100 HydrophobicContact CD2-CD2 3.78Å; L76-L220 HydrophobicContact CD1-CB 4.48Å; L76-L220 HydrophobicContact CD1-CD2 4.45Å; L76-L223 HydrophobicContact CD1-CD1 4.2Å
77V94.5Very high89.6Confident18 Ų1859.8 Ų59.811%0.10930%0.302CS..EExtended strand (participates in β ladder)trans-108.8108.8171.4-178.80000107.3K31 N32 V33 V66 V79K31-V77 HydrophobicContact CD-CG2 4.02Å; K31-V77 HydrophobicContact CG-CG2 4.18Å; K31-V77 PolarHBondContact O-N 3.32Å; N32-V77 CarbonylContact C-O 3.51Å; N32-V77 VanDerWaalsContact CA-O 3.28Å; N32-V77 WeakPolarHBondContact CA-O 3.49Å; N32-V77 WeakPolarHBondContact OD1-CB 3.44Å; V33-V77 PolarHBondContact N-O 3.42Å; V66-V77 HydrophobicContact CG1-CG1 3.57Å; V77-V79 HydrophobicContact CG1-CG2 4.29Å
78L95.6Very high89.7Confident0 Ų060.5 Ų60.50%030%0.303CS..EExtended strand (participates in β ladder)trans-83.3134.1175.8-58.6-164.1000109.4V33 F35 F47 I50 V51 V66 G67 L69 L76V33-L78 HydrophobicContact CB-CD2 3.7Å; V33-L78 HydrophobicContact CG1-CD2 4.28Å; V33-L78 HydrophobicContact CG2-CD2 4.16Å; V33-L78 WeakPolarHBondContact O-CA 3.34Å; F35-L78 HydrophobicContact CE2-CB 3.98Å; F35-L78 HydrophobicContact CE2-CD1 3.9Å; F35-L78 HydrophobicContact CE2-CD2 4.04Å; F35-L78 HydrophobicContact CE2-CG 4.18Å; F35-L78 HydrophobicContact CZ-CD1 4.16Å; F47-L78 HydrophobicContact CD2-CB 4.06Å; F47-L78 HydrophobicContact CE2-CB 3.79Å; I50-L78 HydrophobicContact CB-CD1 4.4Å; I50-L78 HydrophobicContact CG2-CD1 3.64Å; V51-L78 HydrophobicContact CG2-CB 4.41Å; V51-L78 HydrophobicContact CG2-CD1 3.82Å; V66-L78 WeakPolarHBondContact CA-O 3.04Å; G67-L78 PolarHBondContact N-O 3.42Å; G67-L78 PolarHBondContact O-N 3.02Å; L69-L78 HydrophobicContact CB-CD1 4.14Å; L69-L78 HydrophobicContact CB-CG 4.01Å; L69-L78 HydrophobicContact CD2-CD1 3.74Å; L69-L78 HydrophobicContact CD2-CD2 4.35Å; L69-L78 HydrophobicContact CD2-CG 4.24Å; L76-L78 HydrophobicContact CB-CD2 4.42Å
79V95.9Very high89.8Confident0 Ų058.7 Ų58.70%029%0.293CS..EExtended strand (participates in β ladder)trans-127.7114.5178.6-175.40000109.1V33 L34 F35 E64 N65 V66 V77 V81 Y95V33-V79 PolarHBondContact O-N 3Å; L34-V79 CarbonylContact C-O 3.57Å; L34-V79 WeakPolarHBondContact CA-O 3.48Å; L34-V79 HydrophobicContact CG-CB 4.26Å; F35-V79 PolarHBondContact N-O 3.49Å; E64-V79 HydrophobicContact CB-CG1 4.1Å; E64-V79 HydrophobicContact CG-CG1 4.33Å; N65-V79 CarbonylContact O-C 3.54Å; N65-V79 WeakPolarHBondContact O-CA 3.23Å; V66-V79 HydrophobicContact CG2-CG2 4.45Å; V77-V79 HydrophobicContact CG1-CG2 4.29Å; V79-V81 HydrophobicContact CG1-CG2 4.31Å; V79-Y95 HydrophobicContact CG1-CD2 4.13Å; V79-Y95 HydrophobicContact CG1-CE2 3.92Å; V79-Y95 HydrophobicContact CG2-CD1 4.03Å; V79-Y95 HydrophobicContact CG2-CE1 3.87Å
80D95.2Very high89.9Confident0 Ų064.3 Ų64.30%032%0.319CS..EExtended strand (participates in β ladder)trans-81.2115.4169.6178.733.7000109.5K43 T44 F47 E64 N65K43-D80 VanDerWaalsContact CB-OD1 3.25Å; K43-D80 WeakPolarHBondContact CB-OD1 3.3Å; T44-D80 WeakPolarHBondContact CA-OD2 3.36Å; T44-D80 VanDerWaalsContact CB-OD2 3.25Å; T44-D80 WeakPolarHBondContact CB-OD2 2.98Å; T44-D80 VanDerWaalsContact CG2-OD2 3.32Å; T44-D80 WeakPolarHBondContact CG2-OD2 3.28Å; T44-D80 PolarHBondContact OG1-OD2 3Å; F47-D80 HydrophobicContact CB-CB 4Å; F47-D80 HydrophobicContact CD1-CB 4.27Å; F47-D80 HydrophobicContact CD2-CB 3.94Å; F47-D80 HydrophobicContact CE2-CB 4.49Å; F47-D80 HydrophobicContact CG-CB 3.81Å; E64-D80 VanDerWaalsContact CA-O 3.26Å; E64-D80 WeakPolarHBondContact CA-O 3.34Å; E64-D80 WeakPolarHBondContact CB-O 3.47Å; N65-D80 HydrophobicContact CB-CB 3.94Å; N65-D80 PolarHBondContact N-O 3.42Å; N65-D80 PolarHBondContact ND2-OD2 3.41Å; N65-D80 PolarHBondContact O-N 3.32Å
81V95.2Very high90.1Very high0 Ų058.3 Ų58.30%029%0.291CS..  trans-95.5128.7-177.7-177.40000109.8L34 F35 I36 K43 V79 R88 I91 I92L34-V81 HydrophobicContact CB-CG2 4.07Å; L34-V81 HydrophobicContact CD2-CG2 4.29Å; L34-V81 HydrophobicContact CG-CG2 4.23Å; F35-V81 VanDerWaalsContact O-CB 3.32Å; F35-V81 WeakPolarHBondContact O-CB 3.43Å; F35-V81 PolarHBondContact O-N 3.05Å; I36-V81 HydrophobicContact CG2-CB 3.98Å; I36-V81 HydrophobicContact CG2-CG1 4.42Å; I36-V81 HydrophobicContact CG2-CG2 3.8Å; K43-V81 WeakPolarHBondContact CE-O 3.37Å; V79-V81 HydrophobicContact CG1-CG2 4.31Å; V81-R88 HydrophobicContact CG1-CB 4.49Å; V81-R88 HydrophobicContact CG1-CG 4Å; V81-I91 HydrophobicContact CB-CG2 4.36Å; V81-I91 HydrophobicContact CG1-CB 4.01Å; V81-I91 HydrophobicContact CG1-CG2 3.91Å; V81-I91 HydrophobicContact CG2-CG2 3.93Å; V81-I92 HydrophobicContact CG1-CG1 4.22Å
82P92.4Very high90.6Very high1 Ų158.6 Ų58.61%0.00629%0.292CS..  trans-50.2141.5172.4-32.739.8000113.5S61 V87 R88S61-P82 WeakPolarHBondContact O-CB 3.34Å; P82-V87 HydrophobicContact CB-CB 4.16Å; P82-V87 HydrophobicContact CB-CG1 3.73Å; P82-V87 HydrophobicContact CG-CG1 3.74Å; P82-R88 VanDerWaalsContact O-CB 3.26Å; P82-R88 WeakPolarHBondContact O-CB 3.39Å; P82-R88 WeakPolarHBondContact O-CG 3.41Å
83G83.8Confident91Very high6 Ų658.4 Ų58.46%0.06229%0.287CS..SBendtrans-76.5-26.4-176.700000114.6R88G83-R88 PolarHBondContact O-NH1 2.84Å
84H86.6Confident91.5Very high110 Ų11054.8 Ų54.851%0.50927%0.271SS..SBendtrans-69.8128.4-173.1-168.3-71.3000111.4K86 V87 R88H84-K86 PolarHBondContact O-N 2.83Å; H84-K86 VanDerWaalsContact O-N 3.15Å; H84-V87 PolarHBondContact O-N 2.93Å; H84-V87 VanDerWaalsContact O-N 3.13Å; H84-R88 WeakPolarHBondContact O-CB 3.43Å; H84-R88 PolarHBondContact O-N 2.84Å
85D83.5Confident91.9Very high93 Ų9352.3 Ų52.350%0.49726%0.259SS..Hα-helixtrans-50.9-48.4-162.1-64.8-35.2000115.2R88 N89D85-R88 PolarHBondContact O-N 2.8Å; D85-R88 IonicContact OD1-CZ 3.06Å; D85-R88 IonicContact OD1-NH1 2.66Å; D85-R88 PolarHBondContact OD1-NH1 2.81Å; D85-R88 IonicContact OD1-NH2 2.57Å; D85-R88 PolarHBondContact OD1-NH2 2.95Å; D85-N89 PolarHBondContact O-N 2.82Å; D85-N89 VanDerWaalsContact O-N 3.15Å; D85-N89 PolarHBondContact O-ND2 3.35Å
86K84.2Confident92Very high177 Ų17751 Ų5177%0.7724%0.243SC*.Hα-helixtrans-59.7-52.1-179.3-71-174.5178.7178.50112.3H84 E90H84-K86 PolarHBondContact O-N 2.83Å; H84-K86 VanDerWaalsContact O-N 3.15Å; K86-E90 PolarHBondContact O-N 3.17Å
87V89.1Confident92Very high45 Ų4555.8 Ų55.827%0.27327%0.268SS..Hα-helixtrans-67.6-40.9-178.7-174.90000110.3P82 H84 N89 E90 I91P82-V87 HydrophobicContact CB-CB 4.16Å; P82-V87 HydrophobicContact CB-CG1 3.73Å; P82-V87 HydrophobicContact CG-CG1 3.74Å; H84-V87 PolarHBondContact O-N 2.93Å; H84-V87 VanDerWaalsContact O-N 3.13Å; V87-N89 VanDerWaalsContact C-N 3.33Å; V87-N89 PolarHBondContact O-N 3.4Å; V87-E90 PolarHBondContact O-N 2.94Å; V87-I91 HydrophobicContact CG1-CG1 4.19Å; V87-I91 WeakPolarHBondContact O-CG1 3.3Å; V87-I91 PolarHBondContact O-N 3.39Å
88R93.6Very high91.9Very high21 Ų2158.5 Ų58.58%0.07928%0.279CS..Hα-helixtrans-53.6-48.7178.4-171.7173.573.8-139-0.3112.1V81 P82 G83 H84 D85 I92 F121V81-R88 HydrophobicContact CG1-CB 4.49Å; V81-R88 HydrophobicContact CG1-CG 4Å; P82-R88 VanDerWaalsContact O-CB 3.26Å; P82-R88 WeakPolarHBondContact O-CB 3.39Å; P82-R88 WeakPolarHBondContact O-CG 3.41Å; G83-R88 PolarHBondContact O-NH1 2.84Å; H84-R88 WeakPolarHBondContact O-CB 3.43Å; H84-R88 PolarHBondContact O-N 2.84Å; D85-R88 PolarHBondContact O-N 2.8Å; D85-R88 IonicContact OD1-CZ 3.06Å; D85-R88 IonicContact OD1-NH1 2.66Å; D85-R88 PolarHBondContact OD1-NH1 2.81Å; D85-R88 IonicContact OD1-NH2 2.57Å; D85-R88 PolarHBondContact OD1-NH2 2.95Å; R88-I92 HydrophobicContact CG-CD1 3.79Å; R88-I92 WeakPolarHBondContact O-CB 3.36Å; R88-I92 WeakPolarHBondContact O-CG1 3.49Å; R88-I92 PolarHBondContact O-N 3.39Å; R88-F121 VanDerWaalsContact CD-CZ 3.4Å; R88-F121 HydrophobicContact CG-CE2 4.39Å; R88-F121 HydrophobicContact CG-CZ 4.03Å; R88-F121 VanDerWaalsContact NE-CE2 3.31Å
89N92.7Very high91.9Very high90 Ų9058.5 Ų58.548%0.48128%0.279SS..Hα-helixtrans-68-38.4-177.2-70.5-21.6000112.5D85 V87 H93D85-N89 PolarHBondContact O-N 2.82Å; D85-N89 VanDerWaalsContact O-N 3.15Å; D85-N89 PolarHBondContact O-ND2 3.35Å; V87-N89 VanDerWaalsContact C-N 3.33Å; V87-N89 PolarHBondContact O-N 3.4Å; N89-H93 WeakPolarHBondContact O-CB 3.32Å; N89-H93 PolarHBondContact O-N 3.47Å
90E93Very high91.9Very high142 Ų14260.6 Ų60.666%0.66429%0.29SS*.Hα-helixtrans-63.2-48.8177.2-174.1178.6170.500111.4K86 V87 H93 K94K86-E90 PolarHBondContact O-N 3.17Å; V87-E90 PolarHBondContact O-N 2.94Å; E90-H93 WeakPolarHBondContact O-CB 3.2Å; E90-H93 PolarHBondContact O-N 3.12Å; E90-K94 PolarHBondContact O-N 3.22Å
91I93.6Very high92Very high11 Ų1160.6 Ų60.66%0.05629%0.29CS..Hα-helixtrans-65.6-43.1178.7-61.5-50.3000111.1E64 V81 V87 H93 K94 Y95E64-I91 HydrophobicContact CB-CD1 4.49Å; E64-I91 HydrophobicContact CB-CG1 4.48Å; E64-I91 HydrophobicContact CB-CG2 3.91Å; E64-I91 HydrophobicContact CG-CD1 4.49Å; E64-I91 HydrophobicContact CG-CG2 4.41Å; E64-I91 WeakPolarHBondContact OE2-CD1 3.25Å; V81-I91 HydrophobicContact CB-CG2 4.36Å; V81-I91 HydrophobicContact CG1-CB 4.01Å; V81-I91 HydrophobicContact CG1-CG2 3.91Å; V81-I91 HydrophobicContact CG2-CG2 3.93Å; V87-I91 HydrophobicContact CG1-CG1 4.19Å; V87-I91 WeakPolarHBondContact O-CG1 3.3Å; V87-I91 PolarHBondContact O-N 3.39Å; I91-H93 VanDerWaalsContact C-N 3.27Å; I91-H93 PolarHBondContact O-N 2.78Å; I91-K94 WeakPolarHBondContact O-CB 3.22Å; I91-K94 PolarHBondContact O-N 3.42Å; I91-Y95 HydrophobicContact CG2-CD2 3.88Å; I91-Y95 HydrophobicContact CG2-CE2 4Å; I91-Y95 WeakPolarHBondContact O-CD2 3.43Å; I91-Y95 PolarHBondContact O-N 3.34Å; I91-Y95 VanDerWaalsContact O-N 3.16Å
92I95.4Very high92.2Very high13 Ų1360.6 Ų60.67%0.06729%0.29CS..Hα-helixtrans-57.6-44.6174.7-72.1169.4000110.2I36 V81 R88 K94 Y95 K96 F121 I125 F131I36-I92 HydrophobicContact CG2-CD1 4.05Å; I36-I92 HydrophobicContact CG2-CG1 4.12Å; V81-I92 HydrophobicContact CG1-CG1 4.22Å; R88-I92 HydrophobicContact CG-CD1 3.79Å; R88-I92 WeakPolarHBondContact O-CB 3.36Å; R88-I92 WeakPolarHBondContact O-CG1 3.49Å; R88-I92 PolarHBondContact O-N 3.39Å; I92-K94 PolarHBondContact O-N 3.29Å; I92-Y95 PolarHBondContact O-N 3.07Å; I92-K96 WeakPolarHBondContact O-CA 3.28Å; I92-K96 VanDerWaalsContact O-CB 3.24Å; I92-K96 WeakPolarHBondContact O-CB 3.29Å; I92-K96 PolarHBondContact O-N 3Å; I92-F121 HydrophobicContact CD1-CE2 3.78Å; I92-F121 HydrophobicContact CD1-CZ 3.68Å; I92-I125 HydrophobicContact CD1-CD1 4.25Å; I92-F131 HydrophobicContact CG2-CE2 4.3Å; I92-F131 HydrophobicContact CG2-CZ 3.92Å
93H93.5Very high92.4Very high138 Ų13860.5 Ų60.564%0.63929%0.29SS*.Hα-helixtrans-62-41.4178.5-16777.7000112.4N89 E90 I91 Y95 K96N89-H93 WeakPolarHBondContact O-CB 3.32Å; N89-H93 PolarHBondContact O-N 3.47Å; E90-H93 WeakPolarHBondContact O-CB 3.2Å; E90-H93 PolarHBondContact O-N 3.12Å; I91-H93 VanDerWaalsContact C-N 3.27Å; I91-H93 PolarHBondContact O-N 2.78Å; H93-Y95 PolarHBondContact O-N 3.45Å; H93-K96 WeakPolarHBondContact O-CB 3.28Å
94K93.8Very high93.1Very high132 Ų13260.3 Ų60.357%0.57429%0.287SS*.Hα-helixtrans-57.8-44.5177.3178.9-179.1175.1-177.60112.8E64 E90 I91 I92E64-K94 IonicContact OE1-NZ 2.65Å; E64-K94 PolarHBondContact OE1-NZ 3.49Å; E90-K94 PolarHBondContact O-N 3.22Å; I91-K94 WeakPolarHBondContact O-CB 3.22Å; I91-K94 PolarHBondContact O-N 3.42Å; I92-K94 PolarHBondContact O-N 3.29Å
95Y94.2Very high93.7Very high35 Ų3555.1 Ų55.114%0.13726%0.263CS..Hα-helixtrans-94.1-13.3-175.2-71.9-83.9000114.5E64 V66 V79 I91 I92 H93 L97 E98 T99E64-Y95 HydrophobicContact CG-CE2 4.02Å; V66-Y95 WeakPolarHBondContact CG2-OH 3.49Å; V79-Y95 HydrophobicContact CG1-CD2 4.13Å; V79-Y95 HydrophobicContact CG1-CE2 3.92Å; V79-Y95 HydrophobicContact CG2-CD1 4.03Å; V79-Y95 HydrophobicContact CG2-CE1 3.87Å; I91-Y95 HydrophobicContact CG2-CD2 3.88Å; I91-Y95 HydrophobicContact CG2-CE2 4Å; I91-Y95 WeakPolarHBondContact O-CD2 3.43Å; I91-Y95 PolarHBondContact O-N 3.34Å; I91-Y95 VanDerWaalsContact O-N 3.16Å; I92-Y95 PolarHBondContact O-N 3.07Å; H93-Y95 PolarHBondContact O-N 3.45Å; Y95-L97 VanDerWaalsContact C-N 3.29Å; Y95-L97 PolarHBondContact O-N 3.39Å; Y95-L97 VanDerWaalsContact O-N 3.07Å; Y95-E98 PolarHBondContact O-N 3.03Å; Y95-T99 PolarHBondContact O-N 3.5Å; Y95-T99 PolarHBondContact O-OG1 3.16Å; Y95-T99 VanDerWaalsContact O-OG1 3.11Å
96K93.2Very high94.3Very high33 Ų3350.8 Ų50.814%0.14324%0.24CC..G310 helixtrans-46-42.4-169.8-160.9174.2180174.80116.2I92 H93 E98 D128 V130 F131I92-K96 WeakPolarHBondContact O-CA 3.28Å; I92-K96 VanDerWaalsContact O-CB 3.24Å; I92-K96 WeakPolarHBondContact O-CB 3.29Å; I92-K96 PolarHBondContact O-N 3Å; H93-K96 WeakPolarHBondContact O-CB 3.28Å; K96-E98 VanDerWaalsContact C-N 3.27Å; K96-E98 PolarHBondContact O-N 3.48Å; K96-D128 WeakPolarHBondContact CE-OD1 3.48Å; K96-D128 WeakPolarHBondContact CE-OD2 3.31Å; K96-D128 IonicContact NZ-OD1 3.05Å; K96-D128 PolarHBondContact NZ-OD1 3.24Å; K96-D128 IonicContact NZ-OD2 2.69Å; K96-D128 PolarHBondContact NZ-OD2 2.95Å; K96-V130 HydrophobicContact CD-CB 4.21Å; K96-V130 HydrophobicContact CD-CG2 4.11Å; K96-V130 HydrophobicContact CG-CB 4.07Å; K96-V130 HydrophobicContact CG-CG1 4.04Å; K96-V130 HydrophobicContact CG-CG2 4.44Å; K96-F131 HydrophobicContact CB-CE1 4.41Å; K96-F131 HydrophobicContact CG-CD1 4.27Å; K96-F131 HydrophobicContact CG-CE1 3.63Å; K96-F131 HydrophobicContact CG-CZ 3.86Å
97L92.4Very high95Very high106 Ų10643.3 Ų43.356%0.55521%0.209SC*.G310 helixtrans-74.3-18.2-173.7-67.1174000113.1L30 Y95 V130L30-L97 WeakPolarHBondContact CD2-O 3.36Å; Y95-L97 VanDerWaalsContact C-N 3.29Å; Y95-L97 PolarHBondContact O-N 3.39Å; Y95-L97 VanDerWaalsContact O-N 3.07Å; L97-V130 HydrophobicContact CD2-CG1 4Å
98E93.4Very high95.4Very high75 Ų7541.2 Ų41.235%0.3520%0.196SC..G310 helixtrans-117.85.7-174.8-64.5-177.7-17900112.8L30 K31 N32 Y95 K96 L100L30-E98 WeakPolarHBondContact CA-O 3.4Å; K31-E98 PolarHBondContact N-O 3.16Å; K31-E98 VanDerWaalsContact N-O 3.15Å; N32-E98 PolarHBondContact N-O 3.34Å; N32-E98 VanDerWaalsContact ND2-CB 3.3Å; N32-E98 WeakPolarHBondContact ND2-CB 3.42Å; Y95-E98 PolarHBondContact O-N 3.03Å; K96-E98 VanDerWaalsContact C-N 3.27Å; K96-E98 PolarHBondContact O-N 3.48Å; E98-L100 PolarHBondContact O-N 2.93Å
99T95.9Very high95.5Very high0 Ų046.3 Ų46.30%022%0.218CC..EExtended strand (participates in β ladder)trans-67.7121176.5-58.20000110.8N32 L34 Y95 A101 L102 F131 V136N32-T99 WeakPolarHBondContact O-CA 3.3Å; L34-T99 HydrophobicContact CD1-CG2 3.95Å; L34-T99 WeakPolarHBondContact CD1-OG1 3.34Å; Y95-T99 PolarHBondContact O-N 3.5Å; Y95-T99 PolarHBondContact O-OG1 3.16Å; Y95-T99 VanDerWaalsContact O-OG1 3.11Å; T99-A101 WeakPolarHBondContact CG2-O 3.27Å; T99-L102 HydrophobicContact CG2-CD2 3.69Å; T99-L102 HydrophobicContact CG2-CG 4.04Å; T99-F131 HydrophobicContact CG2-CE1 4.2Å; T99-V136 HydrophobicContact CG2-CG1 3.81Å; T99-V136 HydrophobicContact CG2-CG2 4.34Å; T99-V136 WeakPolarHBondContact O-CG2 3.43Å
100L95.5Very high95.7Very high44 Ų4443.3 Ų43.323%0.2321%0.205CC..EExtended strand (participates in β ladder)trans-85-43.9169.3177.464.5000110.8L30 N32 L76 E98 K137 L223L30-L100 HydrophobicContact CB-CB 3.93Å; L30-L100 HydrophobicContact CB-CD1 4.07Å; N32-L100 PolarHBondContact O-N 3.05Å; L76-L100 HydrophobicContact CD2-CD2 3.78Å; E98-L100 PolarHBondContact O-N 2.93Å; L100-K137 PolarHBondContact O-N 2.85Å; L100-L223 HydrophobicContact CD2-CB 4.21Å; L100-L223 HydrophobicContact CD2-CD1 4.34Å
101A97.5Very high95.9Very high0 Ų036.6 Ų36.60%017%0.173CC..EExtended strand (participates in β ladder)trans-149.2155.9-173.300000112.1N32 V33 L34 T99 K137 W219 L223N32-A101 PolarHBondContact O-N 3.28Å; V33-A101 WeakPolarHBondContact CA-O 3.14Å; V33-A101 HydrophobicContact CG1-CB 4.25Å; V33-A101 HydrophobicContact CG2-CB 4.2Å; L34-A101 PolarHBondContact N-O 2.96Å; L34-A101 VanDerWaalsContact N-O 3.14Å; T99-A101 WeakPolarHBondContact CG2-O 3.27Å; A101-K137 CarbonylContact C-O 3.59Å; A101-K137 VanDerWaalsContact CA-O 3.23Å; A101-K137 WeakPolarHBondContact CA-O 3.29Å; A101-K137 HydrophobicContact CB-CB 4.37Å; A101-W219 HydrophobicContact CB-CH2 3.76Å; A101-W219 HydrophobicContact CB-CZ3 4.1Å; A101-L223 HydrophobicContact CB-CD1 3.73Å; A101-L223 HydrophobicContact CB-CD2 3.64Å; A101-L223 HydrophobicContact CB-CG 4.37Å
102L98.2Very high95.9Very high0 Ų042.1 Ų42.10%020%0.199CC..EExtended strand (participates in β ladder)trans-120.9132.2174.6-64.3174000108.9L34 I36 T99 I125 F131 V136 K137 L138 L139L34-L102 HydrophobicContact CB-CD2 3.75Å; L34-L102 HydrophobicContact CD2-CD2 4.1Å; L34-L102 HydrophobicContact CG-CD2 4.39Å; I36-L102 HydrophobicContact CD1-CB 4.31Å; I36-L102 HydrophobicContact CD1-CD1 4.18Å; I36-L102 HydrophobicContact CD1-CD2 4.21Å; I36-L102 HydrophobicContact CD1-CG 4.46Å; T99-L102 HydrophobicContact CG2-CD2 3.69Å; T99-L102 HydrophobicContact CG2-CG 4.04Å; L102-I125 HydrophobicContact CD1-CG2 3.46Å; L102-I125 VanDerWaalsContact CD1-CG2 3.46Å; L102-F131 HydrophobicContact CD1-CD2 3.99Å; L102-F131 HydrophobicContact CD1-CE1 4.4Å; L102-F131 HydrophobicContact CD1-CE2 3.86Å; L102-F131 HydrophobicContact CD1-CG 4.36Å; L102-F131 HydrophobicContact CD1-CZ 4.06Å; L102-F131 HydrophobicContact CD2-CZ 4.42Å; L102-V136 HydrophobicContact CD1-CG1 4.13Å; L102-V136 HydrophobicContact CG-CG1 3.8Å; L102-K137 PolarHBondContact N-O 3.22Å; L102-L138 HydrophobicContact CB-CD1 3.68Å; L102-L138 HydrophobicContact CD1-CD1 4.48Å; L102-L138 WeakPolarHBondContact O-CA 3.29Å; L102-L139 PolarHBondContact O-N 3.08Å
103V98.2Very high95.9Very high0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-106.7104167.8-178.50000107.1V33 L34 F35 I36 L46 V105 L139 A141 I216 W219V33-V103 HydrophobicContact CG1-CG2 3.92Å; L34-V103 PolarHBondContact O-N 3.44Å; F35-V103 WeakPolarHBondContact CA-O 3.44Å; F35-V103 HydrophobicContact CD1-CB 3.82Å; F35-V103 HydrophobicContact CD1-CG1 3.85Å; F35-V103 HydrophobicContact CD1-CG2 4.38Å; F35-V103 HydrophobicContact CE1-CB 4.02Å; F35-V103 HydrophobicContact CE1-CG1 3.97Å; F35-V103 HydrophobicContact CE1-CG2 4.11Å; F35-V103 HydrophobicContact CG-CB 4.36Å; F35-V103 HydrophobicContact CZ-CG2 4.41Å; I36-V103 PolarHBondContact N-O 2.97Å; L46-V103 HydrophobicContact CD2-CG1 4.47Å; V103-V105 HydrophobicContact CG1-CG2 4.07Å; V103-V105 PolarHBondContact O-N 3.43Å; V103-L139 CarbonylContact C-O 3.5Å; V103-L139 WeakPolarHBondContact CA-O 3.22Å; V103-L139 HydrophobicContact CG1-CD2 4.44Å; V103-L139 HydrophobicContact CG2-CB 4.49Å; V103-L139 HydrophobicContact CG2-CD2 4.5Å; V103-A141 HydrophobicContact CG1-CB 4Å; V103-I216 HydrophobicContact CG1-CD1 4.21Å; V103-W219 HydrophobicContact CG2-CZ3 3.91Å
104F98.3Very high96.1Very high1 Ų142 Ų420%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-89.5101.7178.4-166.6-78.1000109.5I36 I106 V118 F121 L122 L138 L139 V140 A141I36-F104 HydrophobicContact CD1-CD2 3.72Å; I36-F104 HydrophobicContact CD1-CE2 4.45Å; I36-F104 HydrophobicContact CG1-CB 4.26Å; I36-F104 HydrophobicContact CG1-CD2 3.82Å; I36-F104 HydrophobicContact CG1-CG 4.38Å; I36-F104 CarbonylContact O-C 3.1Å; I36-F104 WeakPolarHBondContact O-CA 3.4Å; F104-I106 HydrophobicContact CD1-CD1 4.04Å; F104-I106 HydrophobicContact CD1-CG1 3.71Å; F104-I106 HydrophobicContact CE1-CD1 4Å; F104-I106 HydrophobicContact CE1-CG1 3.71Å; F104-V118 HydrophobicContact CE1-CG1 3.67Å; F104-V118 HydrophobicContact CZ-CG1 4.02Å; F104-F121 HydrophobicContact CD2-CD1 4.43Å; F104-F121 HydrophobicContact CD2-CE1 4.2Å; F104-F121 AromaticContact CE2-CD1 3.34Å; F104-F121 HydrophobicContact CE2-CD1 3.34Å; F104-F121 AromaticContact CE2-CE1 3.49Å; F104-F121 HydrophobicContact CE2-CE1 3.49Å; F104-F121 VanDerWaalsContact CE2-CE1 3.49Å; F104-F121 HydrophobicContact CE2-CG 4.03Å; F104-F121 HydrophobicContact CE2-CZ 4.3Å; F104-F121 AromaticContact CZ-CD1 3.63Å; F104-F121 HydrophobicContact CZ-CD1 3.63Å; F104-F121 HydrophobicContact CZ-CE1 4.15Å; F104-F121 HydrophobicContact CZ-CG 4.35Å; F104-L122 HydrophobicContact CD2-CD1 4.01Å; F104-L122 HydrophobicContact CE1-CB 4.47Å; F104-L122 HydrophobicContact CE2-CB 4.01Å; F104-L122 HydrophobicContact CE2-CD1 4.14Å; F104-L122 HydrophobicContact CG-CD1 4.27Å; F104-L122 HydrophobicContact CZ-CB 3.88Å; F104-L138 HydrophobicContact CB-CD1 3.88Å; F104-L139 PolarHBondContact N-O 3.05Å; F104-V140 WeakPolarHBondContact O-CA 3.4Å; F104-A141 PolarHBondContact O-N 3.43Å
105V97.9Very high96.2Very high1 Ų136.8 Ų36.81%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-87.1127.7-175.4-168.10000109.9F35 I36 S41 K43 L46 V103 N143F35-V105 HydrophobicContact CD1-CG2 4.38Å; I36-V105 PolarHBondContact O-N 3.29Å; S41-V105 WeakPolarHBondContact CB-O 3.48Å; S41-V105 VanDerWaalsContact O-CG1 3.29Å; S41-V105 WeakPolarHBondContact O-CG1 3.45Å; K43-V105 HydrophobicContact CG-CB 3.94Å; K43-V105 HydrophobicContact CG-CG2 3.95Å; L46-V105 HydrophobicContact CD2-CG2 3.87Å; V103-V105 HydrophobicContact CG1-CG2 4.07Å; V103-V105 PolarHBondContact O-N 3.43Å; V105-N143 HydrophobicContact CG1-CB 3.74Å
106I97.8Very high96.3Very high2 Ų241.8 Ų41.81%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-117.2135.9179.2-64.6-178000109.3F104 S108 I111 V118 V140 A141 N143 V156 L160F104-I106 HydrophobicContact CD1-CD1 4.04Å; F104-I106 HydrophobicContact CD1-CG1 3.71Å; F104-I106 HydrophobicContact CE1-CD1 4Å; F104-I106 HydrophobicContact CE1-CG1 3.71Å; I106-S108 PolarHBondContact O-N 3.26Å; I106-I111 HydrophobicContact CG2-CB 3.98Å; I106-I111 HydrophobicContact CG2-CD1 3.65Å; I106-I111 HydrophobicContact CG2-CG1 3.89Å; I106-V118 HydrophobicContact CD1-CG1 4.03Å; I106-V118 HydrophobicContact CG1-CG1 4.12Å; I106-V140 HydrophobicContact CD1-CG1 3.47Å; I106-V140 VanDerWaalsContact CD1-CG1 3.47Å; I106-V140 HydrophobicContact CG1-CG1 4.22Å; I106-A141 PolarHBondContact N-O 3.29Å; I106-N143 WeakPolarHBondContact O-CA 3.35Å; I106-N143 VanDerWaalsContact O-CB 3.3Å; I106-N143 WeakPolarHBondContact O-CB 3.39Å; I106-N143 PolarHBondContact O-N 2.84Å; I106-V156 HydrophobicContact CD1-CG1 3.92Å; I106-L160 HydrophobicContact CD1-CD1 3.71Å
107D97.2Very high96.5Very high21 Ų2145.8 Ų45.811%0.11224%0.235CC..EExtended strand (participates in β ladder)trans-74.2104.5164.2-173.6-22.4000109.3K109 S110 I111 K144D107-K109 PolarHBondContact O-N 3.24Å; D107-K109 WeakPolarHBondContact OD1-CA 3.33Å; D107-K109 VanDerWaalsContact OD1-CB 3.28Å; D107-K109 WeakPolarHBondContact OD1-CB 3.07Å; D107-K109 PolarHBondContact OD1-N 3.47Å; D107-S110 WeakPolarHBondContact CB-OG 3.37Å; D107-S110 VanDerWaalsContact CG-OG 3.31Å; D107-S110 PolarHBondContact O-N 3.24Å; D107-S110 PolarHBondContact OD1-N 3.26Å; D107-I111 WeakPolarHBondContact O-CB 3.26Å; D107-I111 PolarHBondContact O-N 3.49Å; D107-K144 WeakPolarHBondContact OD2-CD 3.43Å; D107-K144 VanDerWaalsContact OD2-CE 3.26Å; D107-K144 WeakPolarHBondContact OD2-CE 3.46Å; D107-K144 IonicContact OD2-NZ 2.77Å; D107-K144 PolarHBondContact OD2-NZ 2.87Å
108S97.5Very high96.7Very high0 Ų041.1 Ų41.10%021%0.211CC..THydrogen-bonded Turntrans-70.5-16.5-178-48.10000113.3I106 I111 C142 N143 Q145 A150 K151I106-S108 PolarHBondContact O-N 3.26Å; S108-I111 WeakPolarHBondContact O-CG2 3.29Å; S108-C142 VanDerWaalsContact OG-CA 3.31Å; S108-C142 WeakPolarHBondContact OG-CA 3.49Å; S108-C142 WeakPolarHBondContact OG-CB 3.31Å; S108-C142 PolarHBondContact OG-O 3.36Å; S108-N143 WeakPolarHBondContact CB-O 3.31Å; S108-N143 PolarHBondContact N-O 3.32Å; S108-N143 PolarHBondContact OG-N 3.34Å; S108-N143 PolarHBondContact OG-O 2.82Å; S108-Q145 VanDerWaalsContact CB-NE2 3.34Å; S108-Q145 PolarHBondContact OG-NE2 2.88Å; S108-A150 WeakPolarHBondContact O-CA 3.26Å; S108-K151 WeakPolarHBondContact CB-O 3.32Å; S108-K151 PolarHBondContact O-N 3.28Å
109K96.5Very high96.9Very high128 Ų12837.5 Ų37.556%0.55719%0.194SC*.THydrogen-bonded Turntrans-78.1-41.9175.9167.1178.3-177.6-170.20111.1D107 A147 T149D107-K109 PolarHBondContact O-N 3.24Å; D107-K109 WeakPolarHBondContact OD1-CA 3.33Å; D107-K109 VanDerWaalsContact OD1-CB 3.28Å; D107-K109 WeakPolarHBondContact OD1-CB 3.07Å; D107-K109 PolarHBondContact OD1-N 3.47Å; K109-A147 HydrophobicContact CB-CB 4.33Å; K109-A147 HydrophobicContact CD-CB 4.24Å; K109-T149 WeakPolarHBondContact CG-OG1 3.19Å
110S96.3Very high96.9Very high28 Ų2841.7 Ų41.720%0.19621%0.213CC..THydrogen-bonded Turntrans-99-6.2-176.570.80000114.6D107 Q112 S113 D114D107-S110 WeakPolarHBondContact CB-OG 3.37Å; D107-S110 VanDerWaalsContact CG-OG 3.31Å; D107-S110 PolarHBondContact O-N 3.24Å; D107-S110 PolarHBondContact OD1-N 3.26Å; S110-Q112 PolarHBondContact O-N 3.28Å; S110-S113 PolarHBondContact O-N 3.36Å; S110-S113 PolarHBondContact O-OG 3.46Å; S110-D114 WeakPolarHBondContact CB-OD2 3.49Å; S110-D114 PolarHBondContact O-N 2.88Å; S110-D114 VanDerWaalsContact O-N 3.13Å; S110-D114 PolarHBondContact OG-OD2 2.89Å
111I97Very high96.9Very high1 Ų140 Ų401%0.00520%0.204CC..Hα-helixtrans-49.4-29.6-177.1-171.951.6000114.6I106 D107 S108 D114 V115 V118 K151 V156I106-I111 HydrophobicContact CG2-CB 3.98Å; I106-I111 HydrophobicContact CG2-CD1 3.65Å; I106-I111 HydrophobicContact CG2-CG1 3.89Å; D107-I111 WeakPolarHBondContact O-CB 3.26Å; D107-I111 PolarHBondContact O-N 3.49Å; S108-I111 WeakPolarHBondContact O-CG2 3.29Å; I111-D114 PolarHBondContact O-N 2.95Å; I111-V115 WeakPolarHBondContact O-CA 3.5Å; I111-V115 WeakPolarHBondContact O-CB 3.41Å; I111-V115 PolarHBondContact O-N 3Å; I111-V118 HydrophobicContact CD1-CB 4.15Å; I111-V118 HydrophobicContact CD1-CG1 4.01Å; I111-V118 HydrophobicContact CD1-CG2 4.22Å; I111-K151 HydrophobicContact CG2-CB 4.01Å; I111-K151 HydrophobicContact CG2-CG 3.7Å; I111-V156 HydrophobicContact CG1-CG1 4.45Å; I111-V156 HydrophobicContact CG2-CG2 4.24Å
112Q94.8Very high96.9Very high127 Ų12740 Ų4059%0.59320%0.204SC*.Hα-helixtrans-69.9-33.3179.5-168.71601100113.4S110S110-Q112 PolarHBondContact O-N 3.28Å
113S95.8Very high96.9Very high94 Ų9440 Ų4066%0.65721%0.205SC*.Hα-helixtrans-80.9-33.417252.40000111.9S110S110-S113 PolarHBondContact O-N 3.36Å; S110-S113 PolarHBondContact O-OG 3.46Å
114D95.9Very high96.7Very high54 Ų5443.2 Ų43.229%0.28922%0.221SC..Hα-helixtrans-99.12.8-166.5-51.6-13.2000112.9S110 I111 K116 D117 V118S110-D114 WeakPolarHBondContact CB-OD2 3.49Å; S110-D114 PolarHBondContact O-N 2.88Å; S110-D114 VanDerWaalsContact O-N 3.13Å; S110-D114 PolarHBondContact OG-OD2 2.89Å; I111-D114 PolarHBondContact O-N 2.95Å; D114-K116 PolarHBondContact O-N 3.42Å; D114-K116 VanDerWaalsContact O-N 3.08Å; D114-D117 PolarHBondContact O-N 3.1Å; D114-V118 HydrophobicContact CB-CG2 4.13Å; D114-V118 WeakPolarHBondContact O-CB 3.4Å; D114-V118 VanDerWaalsContact O-CG2 3.3Å; D114-V118 WeakPolarHBondContact O-CG2 3.3Å; D114-V118 PolarHBondContact O-N 3.47Å
115V97.3Very high96.6Very high22 Ų2243.4 Ų43.413%0.13322%0.223CC..Hα-helixtrans-53.5-36.7-171.267.20000113.2I111 A119 L159 E163I111-V115 WeakPolarHBondContact O-CA 3.5Å; I111-V115 WeakPolarHBondContact O-CB 3.41Å; I111-V115 PolarHBondContact O-N 3Å; V115-A119 WeakPolarHBondContact O-CB 3.33Å; V115-A119 PolarHBondContact O-N 2.87Å; V115-L159 HydrophobicContact CG2-CB 4.1Å; V115-E163 HydrophobicContact CG2-CB 4.07Å; V115-E163 HydrophobicContact CG2-CG 4.42Å
116K96.9Very high96.5Very high140 Ų14043.5 Ų43.561%0.60922%0.223SC*.Hα-helixtrans-64.2-54.1-178.5-67.5-174.1174.8179.50111.6D114 V118 A119 E120D114-K116 PolarHBondContact O-N 3.42Å; D114-K116 VanDerWaalsContact O-N 3.08Å; K116-V118 VanDerWaalsContact C-N 3.35Å; K116-V118 PolarHBondContact O-N 3.37Å; K116-A119 PolarHBondContact O-N 2.96Å; K116-E120 WeakPolarHBondContact O-CB 3.46Å; K116-E120 PolarHBondContact O-N 3.49Å
117D95.9Very high96.4Very high117 Ų11743.9 Ų43.963%0.62623%0.226SC*.Hα-helixtrans-66.6-40.4-177.8-59.2-32.3000110.9D114 E120 F121D114-D117 PolarHBondContact O-N 3.1Å; D117-E120 PolarHBondContact O-N 3.4Å; D117-F121 WeakPolarHBondContact O-CB 3.48Å; D117-F121 PolarHBondContact O-N 2.88Å
118V97.1Very high96.3Very high8 Ų844.3 Ų44.35%0.04823%0.228CC..Hα-helixtrans-64.1-45176.7177.40000111A38 F104 I106 I111 D114 K116 F121 L122 L160A38-V118 HydrophobicContact CB-CG2 4.3Å; F104-V118 HydrophobicContact CE1-CG1 3.67Å; F104-V118 HydrophobicContact CZ-CG1 4.02Å; I106-V118 HydrophobicContact CD1-CG1 4.03Å; I106-V118 HydrophobicContact CG1-CG1 4.12Å; I111-V118 HydrophobicContact CD1-CB 4.15Å; I111-V118 HydrophobicContact CD1-CG1 4.01Å; I111-V118 HydrophobicContact CD1-CG2 4.22Å; D114-V118 HydrophobicContact CB-CG2 4.13Å; D114-V118 WeakPolarHBondContact O-CB 3.4Å; D114-V118 VanDerWaalsContact O-CG2 3.3Å; D114-V118 WeakPolarHBondContact O-CG2 3.3Å; D114-V118 PolarHBondContact O-N 3.47Å; K116-V118 VanDerWaalsContact C-N 3.35Å; K116-V118 PolarHBondContact O-N 3.37Å; V118-F121 PolarHBondContact O-N 2.94Å; V118-L122 WeakPolarHBondContact O-CB 3.34Å; V118-L122 PolarHBondContact O-N 2.93Å; V118-L160 HydrophobicContact CG1-CD2 4.05Å
119A97.7Very high96.1Very high0 Ų050.5 Ų50.50%026%0.255CS..Hα-helixtrans-68.1-38.4178.500000112V115 K116 L122 Y123 L160 E163 L164 L167V115-A119 WeakPolarHBondContact O-CB 3.33Å; V115-A119 PolarHBondContact O-N 2.87Å; K116-A119 PolarHBondContact O-N 2.96Å; A119-L122 PolarHBondContact O-N 3.09Å; A119-Y123 VanDerWaalsContact O-CB 3.28Å; A119-Y123 WeakPolarHBondContact O-CB 3.47Å; A119-Y123 PolarHBondContact O-N 2.97Å; A119-L160 HydrophobicContact CB-CD2 4.27Å; A119-E163 HydrophobicContact CB-CB 3.71Å; A119-E163 HydrophobicContact CB-CG 3.5Å; A119-E163 VanDerWaalsContact CB-CG 3.5Å; A119-L164 HydrophobicContact CB-CD2 4.36Å; A119-L164 HydrophobicContact CB-CG 4.5Å; A119-L164 VanDerWaalsContact O-CD2 3.3Å; A119-L164 WeakPolarHBondContact O-CD2 3.45Å; A119-L167 HydrophobicContact CB-CD1 4.01Å
120E95.8Very high96Very high87 Ų8746 Ų4641%0.40724%0.238SC..Hα-helixtrans-63.1-44.3175177.6163.5-156.500111.3K116 D117 Y123 N124 L167 R171K116-E120 WeakPolarHBondContact O-CB 3.46Å; K116-E120 PolarHBondContact O-N 3.49Å; D117-E120 PolarHBondContact O-N 3.4Å; E120-Y123 WeakPolarHBondContact O-CB 3.39Å; E120-Y123 PolarHBondContact O-N 2.82Å; E120-N124 PolarHBondContact O-N 2.71Å; E120-N124 PolarHBondContact O-ND2 3.5Å; E120-L167 HydrophobicContact CB-CD1 4.25Å; E120-R171 IonicContact OE1-NH2 3.5Å; E120-R171 PolarHBondContact OE1-NH2 2.78Å
121F96.5Very high96Very high9 Ų944.7 Ų44.74%0.03923%0.229CC..Hα-helixtrans-63.1-46.3176.3179.1-142.3000111.4I36 R88 I92 F104 D117 V118 Y123 N124 I125I36-F121 HydrophobicContact CB-CE1 4.12Å; I36-F121 HydrophobicContact CB-CZ 3.99Å; I36-F121 HydrophobicContact CD1-CE1 4.39Å; I36-F121 HydrophobicContact CD1-CZ 4.01Å; I36-F121 HydrophobicContact CG1-CE1 4.45Å; I36-F121 HydrophobicContact CG1-CZ 4.4Å; R88-F121 VanDerWaalsContact CD-CZ 3.4Å; R88-F121 HydrophobicContact CG-CE2 4.39Å; R88-F121 HydrophobicContact CG-CZ 4.03Å; R88-F121 VanDerWaalsContact NE-CE2 3.31Å; I92-F121 HydrophobicContact CD1-CE2 3.78Å; I92-F121 HydrophobicContact CD1-CZ 3.68Å; F104-F121 HydrophobicContact CD2-CD1 4.43Å; F104-F121 HydrophobicContact CD2-CE1 4.2Å; F104-F121 AromaticContact CE2-CD1 3.34Å; F104-F121 HydrophobicContact CE2-CD1 3.34Å; F104-F121 AromaticContact CE2-CE1 3.49Å; F104-F121 HydrophobicContact CE2-CE1 3.49Å; F104-F121 VanDerWaalsContact CE2-CE1 3.49Å; F104-F121 HydrophobicContact CE2-CG 4.03Å; F104-F121 HydrophobicContact CE2-CZ 4.3Å; F104-F121 AromaticContact CZ-CD1 3.63Å; F104-F121 HydrophobicContact CZ-CD1 3.63Å; F104-F121 HydrophobicContact CZ-CE1 4.15Å; F104-F121 HydrophobicContact CZ-CG 4.35Å; D117-F121 WeakPolarHBondContact O-CB 3.48Å; D117-F121 PolarHBondContact O-N 2.88Å; V118-F121 PolarHBondContact O-N 2.94Å; F121-Y123 VanDerWaalsContact C-N 3.33Å; F121-Y123 PolarHBondContact O-N 3.06Å; F121-N124 PolarHBondContact O-N 2.88Å; F121-I125 HydrophobicContact CD2-CG1 4.42Å; F121-I125 HydrophobicContact CE2-CD1 3.9Å; F121-I125 HydrophobicContact CE2-CG1 3.99Å; F121-I125 HydrophobicContact CZ-CD1 4.24Å; F121-I125 HydrophobicContact CZ-CG1 4.31Å; F121-I125 PolarHBondContact O-N 3.25Å
122L97.4Very high95.9Very high0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-61.4-39.4176.5-177.958.5000112.4F104 V118 A119 N124 I125 L126 L138 L160 L164 F195F104-L122 HydrophobicContact CD2-CD1 4.01Å; F104-L122 HydrophobicContact CE1-CB 4.47Å; F104-L122 HydrophobicContact CE2-CB 4.01Å; F104-L122 HydrophobicContact CE2-CD1 4.14Å; F104-L122 HydrophobicContact CG-CD1 4.27Å; F104-L122 HydrophobicContact CZ-CB 3.88Å; V118-L122 WeakPolarHBondContact O-CB 3.34Å; V118-L122 PolarHBondContact O-N 2.93Å; A119-L122 PolarHBondContact O-N 3.09Å; L122-N124 VanDerWaalsContact C-N 3.31Å; L122-N124 PolarHBondContact O-N 2.96Å; L122-I125 WeakPolarHBondContact O-CB 3.5Å; L122-I125 PolarHBondContact O-N 3.24Å; L122-L126 HydrophobicContact CD1-CD1 4.29Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 3.9Å; L122-L126 HydrophobicContact CG-CG 4.26Å; L122-L126 WeakPolarHBondContact O-CG 3.33Å; L122-L126 PolarHBondContact O-N 3.4Å; L122-L138 HydrophobicContact CD1-CD2 3.89Å; L122-L160 HydrophobicContact CD2-CD1 3.96Å; L122-L160 HydrophobicContact CD2-CD2 4.27Å; L122-L164 HydrophobicContact CD2-CD1 4.19Å; L122-F195 HydrophobicContact CD2-CE1 4.04Å; L122-F195 HydrophobicContact CD2-CZ 3.89Å
123Y96.4Very high95.9Very high1 Ų148.5 Ų48.50%0.00424%0.244CC..Hα-helixtrans-55.3-48.7175.9-175.9-77.7000110.5A119 E120 F121 I125 L126 V127 L164 L167 T168 T185 L186A119-Y123 VanDerWaalsContact O-CB 3.28Å; A119-Y123 WeakPolarHBondContact O-CB 3.47Å; A119-Y123 PolarHBondContact O-N 2.97Å; E120-Y123 WeakPolarHBondContact O-CB 3.39Å; E120-Y123 PolarHBondContact O-N 2.82Å; F121-Y123 VanDerWaalsContact C-N 3.33Å; F121-Y123 PolarHBondContact O-N 3.06Å; Y123-I125 VanDerWaalsContact C-N 3.28Å; Y123-I125 PolarHBondContact O-N 2.83Å; Y123-L126 PolarHBondContact O-N 3.23Å; Y123-L126 VanDerWaalsContact O-N 3.16Å; Y123-V127 HydrophobicContact CD1-CG1 4.03Å; Y123-V127 HydrophobicContact CD1-CG2 4.12Å; Y123-V127 HydrophobicContact CE1-CB 4.38Å; Y123-V127 HydrophobicContact CE1-CG1 3.55Å; Y123-V127 HydrophobicContact CE1-CG2 3.96Å; Y123-V127 WeakPolarHBondContact O-CG2 3.47Å; Y123-V127 PolarHBondContact O-N 3.41Å; Y123-L164 HydrophobicContact CD2-CD2 4.04Å; Y123-L164 HydrophobicContact CG-CD2 4.37Å; Y123-L167 HydrophobicContact CD2-CB 3.98Å; Y123-L167 HydrophobicContact CE2-CB 4.32Å; Y123-T168 WeakPolarHBondContact CE2-OG1 3.11Å; Y123-T185 WeakPolarHBondContact OH-CA 3.28Å; Y123-L186 HydrophobicContact CD2-CD1 3.41Å; Y123-L186 VanDerWaalsContact CD2-CD1 3.41Å; Y123-L186 HydrophobicContact CD2-CG 3.81Å; Y123-L186 HydrophobicContact CE2-CB 4.39Å; Y123-L186 HydrophobicContact CE2-CD1 3.54Å; Y123-L186 HydrophobicContact CE2-CG 3.55Å; Y123-L186 HydrophobicContact CG-CD1 4.36Å
124N94.7Very high95.7Very high66 Ų6646.4 Ų46.435%0.35323%0.226SC..Hα-helixtrans-62.6-34.9-178.7-66.5-32.1000112E120 F121 L122 D128 R171E120-N124 PolarHBondContact O-N 2.71Å; E120-N124 PolarHBondContact O-ND2 3.5Å; F121-N124 PolarHBondContact O-N 2.88Å; L122-N124 VanDerWaalsContact C-N 3.31Å; L122-N124 PolarHBondContact O-N 2.96Å; N124-D128 PolarHBondContact O-N 2.67Å; N124-R171 PolarHBondContact OD1-NH1 3.47Å; N124-R171 PolarHBondContact OD1-NH2 2.87Å; N124-R171 VanDerWaalsContact OD1-NH2 3.16Å
125I96.4Very high95.6Very high6 Ų651.9 Ų51.93%0.03124%0.242CC..Hα-helixtrans-67-47.2173-61.3-62.2000111.3I36 I92 L102 F121 L122 Y123 V127 D128 F131I36-I125 HydrophobicContact CD1-CD1 3.79Å; I36-I125 HydrophobicContact CD1-CG1 3.88Å; I92-I125 HydrophobicContact CD1-CD1 4.25Å; L102-I125 HydrophobicContact CD1-CG2 3.46Å; L102-I125 VanDerWaalsContact CD1-CG2 3.46Å; F121-I125 HydrophobicContact CD2-CG1 4.42Å; F121-I125 HydrophobicContact CE2-CD1 3.9Å; F121-I125 HydrophobicContact CE2-CG1 3.99Å; F121-I125 HydrophobicContact CZ-CD1 4.24Å; F121-I125 HydrophobicContact CZ-CG1 4.31Å; F121-I125 PolarHBondContact O-N 3.25Å; L122-I125 WeakPolarHBondContact O-CB 3.5Å; L122-I125 PolarHBondContact O-N 3.24Å; Y123-I125 VanDerWaalsContact C-N 3.28Å; Y123-I125 PolarHBondContact O-N 2.83Å; I125-V127 VanDerWaalsContact C-N 3.33Å; I125-V127 PolarHBondContact O-N 3.49Å; I125-D128 VanDerWaalsContact O-CB 3.3Å; I125-D128 WeakPolarHBondContact O-CB 3.37Å; I125-D128 PolarHBondContact O-N 3Å; I125-F131 HydrophobicContact CD1-CE2 3.85Å; I125-F131 HydrophobicContact CG2-CD2 4.08Å; I125-F131 HydrophobicContact CG2-CE2 4.28Å
126L96.7Very high95.6Very high2 Ų250.9 Ų50.91%0.0124%0.236CC..Hα-helixtrans-68-28.2-175-72.8172.5000113.8L122 Y123 L138 L164 L186 F193 F195 L200 V202L122-L126 HydrophobicContact CD1-CD1 4.29Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 3.9Å; L122-L126 HydrophobicContact CG-CG 4.26Å; L122-L126 WeakPolarHBondContact O-CG 3.33Å; L122-L126 PolarHBondContact O-N 3.4Å; Y123-L126 PolarHBondContact O-N 3.23Å; Y123-L126 VanDerWaalsContact O-N 3.16Å; L126-L138 HydrophobicContact CD2-CD2 3.77Å; L126-L164 HydrophobicContact CD1-CD1 3.88Å; L126-L186 HydrophobicContact CB-CD2 3.41Å; L126-L186 VanDerWaalsContact CB-CD2 3.41Å; L126-L186 HydrophobicContact CD1-CD2 4.09Å; L126-L186 HydrophobicContact CG-CD2 4.4Å; L126-F193 HydrophobicContact CD1-CZ 3.98Å; L126-F195 HydrophobicContact CD1-CE1 4.15Å; L126-L200 HydrophobicContact CD2-CD1 4.37Å; L126-V202 HydrophobicContact CD2-CG2 4.24Å
127V94.7Very high95.6Very high11 Ų1147.4 Ų47.47%0.06722%0.221CC..THydrogen-bonded Turntrans-90.9-2176.6-57.90000113.6Y123 I125 K129 S184 L186Y123-V127 HydrophobicContact CD1-CG1 4.03Å; Y123-V127 HydrophobicContact CD1-CG2 4.12Å; Y123-V127 HydrophobicContact CE1-CB 4.38Å; Y123-V127 HydrophobicContact CE1-CG1 3.55Å; Y123-V127 HydrophobicContact CE1-CG2 3.96Å; Y123-V127 WeakPolarHBondContact O-CG2 3.47Å; Y123-V127 PolarHBondContact O-N 3.41Å; I125-V127 VanDerWaalsContact C-N 3.33Å; I125-V127 PolarHBondContact O-N 3.49Å; V127-K129 PolarHBondContact O-N 3.27Å; V127-S184 WeakPolarHBondContact CB-O 3.38Å; V127-S184 WeakPolarHBondContact CG1-O 3.46Å; V127-S184 PolarHBondContact O-OG 3.02Å; V127-L186 HydrophobicContact CG1-CD2 3.57Å; V127-L186 HydrophobicContact CG1-CG 3.84Å
128D95.1Very high95.7Very high29 Ų2941.9 Ų41.916%0.15519%0.191CC..  trans-68.1119.9-173.9-164.6-70.8000112.6K96 N124 I125 V130 F131 I132K96-D128 WeakPolarHBondContact CE-OD1 3.48Å; K96-D128 WeakPolarHBondContact CE-OD2 3.31Å; K96-D128 IonicContact NZ-OD1 3.05Å; K96-D128 PolarHBondContact NZ-OD1 3.24Å; K96-D128 IonicContact NZ-OD2 2.69Å; K96-D128 PolarHBondContact NZ-OD2 2.95Å; N124-D128 PolarHBondContact O-N 2.67Å; I125-D128 VanDerWaalsContact O-CB 3.3Å; I125-D128 WeakPolarHBondContact O-CB 3.37Å; I125-D128 PolarHBondContact O-N 3Å; D128-V130 VanDerWaalsContact C-N 3.28Å; D128-V130 PolarHBondContact O-N 2.84Å; D128-V130 WeakPolarHBondContact OD1-CB 2.8Å; D128-V130 PolarHBondContact OD1-N 3.39Å; D128-F131 HydrophobicContact CB-CB 4.19Å; D128-F131 HydrophobicContact CB-CD2 3.52Å; D128-F131 HydrophobicContact CB-CE2 4.24Å; D128-F131 HydrophobicContact CB-CG 4.11Å; D128-F131 PolarHBondContact O-N 2.91Å; D128-F131 PolarHBondContact OD1-N 2.87Å; D128-I132 WeakPolarHBondContact O-CB 3.33Å; D128-I132 WeakPolarHBondContact O-CD1 3.3Å; D128-I132 VanDerWaalsContact O-CG1 3.24Å; D128-I132 WeakPolarHBondContact O-CG1 3.39Å; D128-I132 PolarHBondContact O-N 3.13Å
129K94Very high95.8Very high131 Ų13141.5 Ų41.557%0.5719%0.189SC*.Hα-helixtrans-60.2-33.9-176.2-62.9-178.1-176.2176.60113.2V127 K133 T182V127-K129 PolarHBondContact O-N 3.27Å; K129-K133 WeakPolarHBondContact O-CB 3.44Å; K129-K133 PolarHBondContact O-N 3.1Å; K129-T182 PolarHBondContact NZ-O 3.46Å
130V94.2Very high95.8Very high34 Ų3441.5 Ų41.521%0.20619%0.189CC..Hα-helixtrans-73.9-45.8-179.1-176.80000110.1K96 L97 D128 I132 K133 N134K96-V130 HydrophobicContact CD-CB 4.21Å; K96-V130 HydrophobicContact CD-CG2 4.11Å; K96-V130 HydrophobicContact CG-CB 4.07Å; K96-V130 HydrophobicContact CG-CG1 4.04Å; K96-V130 HydrophobicContact CG-CG2 4.44Å; L97-V130 HydrophobicContact CD2-CG1 4Å; D128-V130 VanDerWaalsContact C-N 3.28Å; D128-V130 PolarHBondContact O-N 2.84Å; D128-V130 WeakPolarHBondContact OD1-CB 2.8Å; D128-V130 PolarHBondContact OD1-N 3.39Å; V130-I132 VanDerWaalsContact C-N 3.31Å; V130-I132 PolarHBondContact O-N 3.48Å; V130-K133 PolarHBondContact O-N 3.26Å; V130-N134 WeakPolarHBondContact O-CB 3.23Å; V130-N134 PolarHBondContact O-N 3.41Å
131F96Very high95.9Very high0 Ų037.3 Ų37.30%017%0.17CC..Hα-helixtrans-62.9-40.9177.8-63.2-33.2000111.4I92 K96 T99 L102 I125 D128 N134 R135 V136 L200I92-F131 HydrophobicContact CG2-CE2 4.3Å; I92-F131 HydrophobicContact CG2-CZ 3.92Å; K96-F131 HydrophobicContact CB-CE1 4.41Å; K96-F131 HydrophobicContact CG-CD1 4.27Å; K96-F131 HydrophobicContact CG-CE1 3.63Å; K96-F131 HydrophobicContact CG-CZ 3.86Å; T99-F131 HydrophobicContact CG2-CE1 4.2Å; L102-F131 HydrophobicContact CD1-CD2 3.99Å; L102-F131 HydrophobicContact CD1-CE1 4.4Å; L102-F131 HydrophobicContact CD1-CE2 3.86Å; L102-F131 HydrophobicContact CD1-CG 4.36Å; L102-F131 HydrophobicContact CD1-CZ 4.06Å; L102-F131 HydrophobicContact CD2-CZ 4.42Å; I125-F131 HydrophobicContact CD1-CE2 3.85Å; I125-F131 HydrophobicContact CG2-CD2 4.08Å; I125-F131 HydrophobicContact CG2-CE2 4.28Å; D128-F131 HydrophobicContact CB-CB 4.19Å; D128-F131 HydrophobicContact CB-CD2 3.52Å; D128-F131 HydrophobicContact CB-CE2 4.24Å; D128-F131 HydrophobicContact CB-CG 4.11Å; D128-F131 PolarHBondContact O-N 2.91Å; D128-F131 PolarHBondContact OD1-N 2.87Å; F131-N134 PolarHBondContact O-N 2.86Å; F131-R135 PolarHBondContact O-N 3.14Å; F131-V136 HydrophobicContact CB-CB 4.18Å; F131-V136 HydrophobicContact CB-CG2 4.18Å; F131-V136 HydrophobicContact CD1-CB 4.38Å; F131-V136 HydrophobicContact CD1-CG2 3.84Å; F131-V136 HydrophobicContact CG-CG2 4.41Å; F131-V136 PolarHBondContact O-N 2.82Å; F131-L200 HydrophobicContact CB-CD1 4.24Å; F131-L200 HydrophobicContact CB-CD2 4.39Å; F131-L200 WeakPolarHBondContact O-CD2 2.99Å
132I95.1Very high96Very high31 Ų3136.9 Ų36.916%0.15917%0.168CC..Hα-helixtrans-62.4-48.3174.9-66.6164.8000110.9D128 V130 N134 R135 R199 L200D128-I132 WeakPolarHBondContact O-CB 3.33Å; D128-I132 WeakPolarHBondContact O-CD1 3.3Å; D128-I132 VanDerWaalsContact O-CG1 3.24Å; D128-I132 WeakPolarHBondContact O-CG1 3.39Å; D128-I132 PolarHBondContact O-N 3.13Å; V130-I132 VanDerWaalsContact C-N 3.31Å; V130-I132 PolarHBondContact O-N 3.48Å; I132-N134 VanDerWaalsContact C-N 3.31Å; I132-N134 PolarHBondContact O-N 3.49Å; I132-R135 PolarHBondContact O-N 3Å; I132-R135 VanDerWaalsContact O-N 3.12Å; I132-R199 HydrophobicContact CG1-CB 4.26Å; I132-R199 HydrophobicContact CG2-CB 4.32Å; I132-L200 HydrophobicContact CG1-CD2 4.17Å; I132-L200 HydrophobicContact CG1-CG 4.48Å
133K93.4Very high96Very high177 Ų17737.1 Ų37.177%0.7717%0.169SC*.Hα-helixtrans-59.5-42.5179.6-178.9-177.9177.7-177.50111.8K129 V130 R135K129-K133 WeakPolarHBondContact O-CB 3.44Å; K129-K133 PolarHBondContact O-N 3.1Å; V130-K133 PolarHBondContact O-N 3.26Å; K133-R135 VanDerWaalsContact C-N 3.27Å; K133-R135 PolarHBondContact O-N 3.39Å
134N92.5Very high95.9Very high50 Ų5039.8 Ų39.827%0.26718%0.181SC..THydrogen-bonded Turntrans-82.6-2.4-179.6-71.2-4.2000113.3L30 V130 F131 I132 V136L30-N134 HydrophobicContact CD1-CB 4.07Å; V130-N134 WeakPolarHBondContact O-CB 3.23Å; V130-N134 PolarHBondContact O-N 3.41Å; F131-N134 PolarHBondContact O-N 2.86Å; I132-N134 VanDerWaalsContact C-N 3.31Å; I132-N134 PolarHBondContact O-N 3.49Å; N134-V136 HydrophobicContact CB-CG2 3.94Å; N134-V136 PolarHBondContact O-N 2.91Å
135R94Very high96Very high169 Ų16939 Ų3964%0.63818%0.175SC*.THydrogen-bonded Turntrans50.543.9-176.3-65.5-69.1-1651598.2112.5F131 I132 K133 K137 R199F131-R135 PolarHBondContact O-N 3.14Å; I132-R135 PolarHBondContact O-N 3Å; I132-R135 VanDerWaalsContact O-N 3.12Å; K133-R135 VanDerWaalsContact C-N 3.27Å; K133-R135 PolarHBondContact O-N 3.39Å; R135-K137 PolarHBondContact O-N 2.98Å; R135-R199 PolarHBondContact NH1-O 3.44Å
136V96.3Very high95.9Very high0 Ų042.9 Ų42.90%020%0.195CC..  trans-57.8129-179.11740000110.3T99 L102 F131 N134T99-V136 HydrophobicContact CG2-CG1 3.81Å; T99-V136 HydrophobicContact CG2-CG2 4.34Å; T99-V136 WeakPolarHBondContact O-CG2 3.43Å; L102-V136 HydrophobicContact CD1-CG1 4.13Å; L102-V136 HydrophobicContact CG-CG1 3.8Å; F131-V136 HydrophobicContact CB-CB 4.18Å; F131-V136 HydrophobicContact CB-CG2 4.18Å; F131-V136 HydrophobicContact CD1-CB 4.38Å; F131-V136 HydrophobicContact CD1-CG2 3.84Å; F131-V136 HydrophobicContact CG-CG2 4.41Å; F131-V136 PolarHBondContact O-N 2.82Å; N134-V136 HydrophobicContact CB-CG2 3.94Å; N134-V136 PolarHBondContact O-N 2.91Å
137K97.2Very high95.8Very high68 Ų6844 Ų4430%0.29621%0.205SC..EExtended strand (participates in β ladder)trans-74.6134.8175.2-62-177.2178.31700110L100 A101 L102 R135 P201 W219 Q222 L223L100-K137 PolarHBondContact O-N 2.85Å; A101-K137 CarbonylContact C-O 3.59Å; A101-K137 VanDerWaalsContact CA-O 3.23Å; A101-K137 WeakPolarHBondContact CA-O 3.29Å; A101-K137 HydrophobicContact CB-CB 4.37Å; L102-K137 PolarHBondContact N-O 3.22Å; R135-K137 PolarHBondContact O-N 2.98Å; K137-P201 HydrophobicContact CB-CG 4.44Å; K137-P201 HydrophobicContact CG-CG 4.01Å; K137-W219 HydrophobicContact CB-CH2 4.24Å; K137-W219 HydrophobicContact CB-CZ2 3.86Å; K137-Q222 PolarHBondContact NZ-O 3.07Å; K137-L223 HydrophobicContact CB-CD2 4.16Å; K137-L223 HydrophobicContact CD-CD2 3.6Å; K137-L223 HydrophobicContact CG-CD2 4.43Å; K137-L223 PolarHBondContact NZ-O 2.65Å
138L98.3Very high95.7Very high0 Ų050.6 Ų50.60%025%0.246CC..EExtended strand (participates in β ladder)trans-118119.8-179.2177.263.2000109.9L102 F104 L122 L126 P201 V202 D203L102-L138 HydrophobicContact CB-CD1 3.68Å; L102-L138 HydrophobicContact CD1-CD1 4.48Å; L102-L138 WeakPolarHBondContact O-CA 3.29Å; F104-L138 HydrophobicContact CB-CD1 3.88Å; L122-L138 HydrophobicContact CD1-CD2 3.89Å; L126-L138 HydrophobicContact CD2-CD2 3.77Å; L138-P201 PolarHBondContact N-O 3.4Å; L138-V202 HydrophobicContact CB-CG2 4.29Å; L138-V202 HydrophobicContact CD2-CG1 4.17Å; L138-V202 HydrophobicContact CD2-CG2 4.01Å; L138-V202 HydrophobicContact CG-CG1 4.23Å; L138-V202 CarbonylContact O-C 3.51Å; L138-V202 VanDerWaalsContact O-CA 3.26Å; L138-V202 WeakPolarHBondContact O-CA 3.36Å; L138-D203 PolarHBondContact O-N 2.92Å
139L98.5Very high95.7Very high0 Ų052.8 Ų52.80%026%0.26CS..EExtended strand (participates in β ladder)trans-103.4121.5170.3-176.365.3000109.3L102 V103 F104 D203 V205 I216 W219L102-L139 PolarHBondContact O-N 3.08Å; V103-L139 CarbonylContact C-O 3.5Å; V103-L139 WeakPolarHBondContact CA-O 3.22Å; V103-L139 HydrophobicContact CG1-CD2 4.44Å; V103-L139 HydrophobicContact CG2-CB 4.49Å; V103-L139 HydrophobicContact CG2-CD2 4.5Å; F104-L139 PolarHBondContact N-O 3.05Å; L139-D203 CarbonylContact C-O 3.58Å; L139-D203 WeakPolarHBondContact CA-O 3.44Å; L139-D203 HydrophobicContact CD1-CB 3.78Å; L139-V205 HydrophobicContact CD1-CB 4.35Å; L139-V205 HydrophobicContact CD1-CG1 3.86Å; L139-V205 HydrophobicContact CD1-CG2 3.76Å; L139-V205 HydrophobicContact CD2-CG2 3.85Å; L139-V205 HydrophobicContact CG-CG2 3.93Å; L139-I216 HydrophobicContact CD2-CG1 3.84Å; L139-W219 HydrophobicContact CB-CD2 3.94Å; L139-W219 HydrophobicContact CB-CE3 4Å; L139-W219 HydrophobicContact CB-CH2 3.55Å; L139-W219 HydrophobicContact CB-CZ2 3.57Å; L139-W219 HydrophobicContact CB-CZ3 3.81Å; L139-W219 HydrophobicContact CD1-CD2 4.17Å; L139-W219 HydrophobicContact CD1-CG 4.06Å; L139-W219 HydrophobicContact CD2-CB 4.15Å; L139-W219 HydrophobicContact CD2-CD2 3.69Å; L139-W219 HydrophobicContact CD2-CE3 3.68Å; L139-W219 HydrophobicContact CD2-CG 3.9Å; L139-W219 HydrophobicContact CD2-CZ3 4.21Å; L139-W219 HydrophobicContact CG-CD2 4.16Å; L139-W219 HydrophobicContact CG-CE3 4.39Å; L139-W219 HydrophobicContact CG-CG 4.46Å
140V98.3Very high95.8Very high0 Ų047.5 Ų47.50%024%0.241CC..EExtended strand (participates in β ladder)trans-90.3106.6168.2-177.80000108.5F104 I106 L160 V202 D203 F204 V205F104-V140 WeakPolarHBondContact O-CA 3.4Å; I106-V140 HydrophobicContact CD1-CG1 3.47Å; I106-V140 VanDerWaalsContact CD1-CG1 3.47Å; I106-V140 HydrophobicContact CG1-CG1 4.22Å; V140-L160 HydrophobicContact CG1-CD1 4.44Å; V140-V202 HydrophobicContact CG2-CG1 3.98Å; V140-D203 PolarHBondContact N-O 3.5Å; V140-F204 HydrophobicContact CB-CD1 3.54Å; V140-F204 HydrophobicContact CB-CE1 3.52Å; V140-F204 HydrophobicContact CB-CG 4.06Å; V140-F204 HydrophobicContact CB-CZ 4.02Å; V140-F204 HydrophobicContact CG1-CD1 3.7Å; V140-F204 HydrophobicContact CG1-CE1 3.52Å; V140-F204 HydrophobicContact CG1-CZ 4.36Å; V140-F204 HydrophobicContact CG2-CD1 4.3Å; V140-F204 HydrophobicContact CG2-CE1 3.84Å; V140-F204 HydrophobicContact CG2-CE2 4.34Å; V140-F204 HydrophobicContact CG2-CZ 3.85Å; V140-F204 WeakPolarHBondContact O-CA 3.35Å; V140-V205 PolarHBondContact O-N 3.47Å
141A98.1Very high96Very high0 Ų048.9 Ų48.90%024%0.244CC..EExtended strand (participates in β ladder)trans-94.7102.8-17900000110V103 F104 I106 N143 V205 I207 I216V103-A141 HydrophobicContact CG1-CB 4Å; F104-A141 PolarHBondContact O-N 3.43Å; I106-A141 PolarHBondContact N-O 3.29Å; A141-N143 PolarHBondContact O-N 2.94Å; A141-V205 HydrophobicContact CB-CG2 4.26Å; A141-I207 HydrophobicContact CB-CD1 4.15Å; A141-I207 HydrophobicContact CB-CG1 4.11Å; A141-I216 HydrophobicContact CB-CD1 3.88Å
142C97.8Very high96Very high0 Ų049.9 Ų49.90%026%0.255CS..EExtended strand (participates in β ladder)trans-75.892.6174.6-57.60000108.3S108 Q145 V153 V205 I207S108-C142 VanDerWaalsContact OG-CA 3.31Å; S108-C142 WeakPolarHBondContact OG-CA 3.49Å; S108-C142 WeakPolarHBondContact OG-CB 3.31Å; S108-C142 PolarHBondContact OG-O 3.36Å; C142-Q145 VanDerWaalsContact O-CG 3.29Å; C142-Q145 WeakPolarHBondContact O-CG 3.29Å; C142-Q145 PolarHBondContact O-NE2 2.75Å; C142-V153 HydrophobicContact CB-CG2 4.19Å; C142-V205 WeakPolarHBondContact CB-O 3.43Å; C142-V205 PolarHBondContact N-O 3.43Å; C142-I207 PolarHBondContact O-N 3.47Å
143N97.6Very high96.1Very high4 Ų449.7 Ų49.72%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-86.8169.3-173.9-169.129000112.7S41 V105 I106 S108 A141 Q145 I207 A209S41-N143 PolarHBondContact O-ND2 3.44Å; V105-N143 HydrophobicContact CG1-CB 3.74Å; I106-N143 WeakPolarHBondContact O-CA 3.35Å; I106-N143 VanDerWaalsContact O-CB 3.3Å; I106-N143 WeakPolarHBondContact O-CB 3.39Å; I106-N143 PolarHBondContact O-N 2.84Å; S108-N143 WeakPolarHBondContact CB-O 3.31Å; S108-N143 PolarHBondContact N-O 3.32Å; S108-N143 PolarHBondContact OG-N 3.34Å; S108-N143 PolarHBondContact OG-O 2.82Å; A141-N143 PolarHBondContact O-N 2.94Å; N143-Q145 VanDerWaalsContact C-N 3.35Å; N143-I207 CarbonylContact C-O 3.55Å; N143-I207 VanDerWaalsContact CA-O 3.29Å; N143-I207 WeakPolarHBondContact CA-O 3.49Å; N143-I207 HydrophobicContact CB-CD1 3.96Å; N143-I207 HydrophobicContact CB-CG1 4.23Å; N143-A209 PolarHBondContact OD1-N 2.83Å
144K95.9Very high96.3Very high58 Ų5846.1 Ų46.125%0.25225%0.252SS..  trans64.934179.9-48-167.2-169.9174.50113.4D40 D107 D146 A147 A150 I207D40-K144 WeakPolarHBondContact O-CE 3.28Å; D40-K144 PolarHBondContact O-NZ 3.48Å; D107-K144 WeakPolarHBondContact OD2-CD 3.43Å; D107-K144 VanDerWaalsContact OD2-CE 3.26Å; D107-K144 WeakPolarHBondContact OD2-CE 3.46Å; D107-K144 IonicContact OD2-NZ 2.77Å; D107-K144 PolarHBondContact OD2-NZ 2.87Å; K144-D146 WeakPolarHBondContact CA-OD1 3.43Å; K144-D146 PolarHBondContact O-N 2.62Å; K144-A147 WeakPolarHBondContact O-CB 3.48Å; K144-A147 PolarHBondContact O-N 3.14Å; K144-A150 WeakPolarHBondContact O-CB 3.29Å; K144-I207 PolarHBondContact N-O 2.88Å
145Q96.4Very high96.6Very high50 Ų5047.1 Ų47.123%0.23426%0.26CS..THydrogen-bonded Turntrans-67.5-8.7177.6-66.1-69.1-21.800113.8S108 C142 N143 A147 K151 E206 I207S108-Q145 VanDerWaalsContact CB-NE2 3.34Å; S108-Q145 PolarHBondContact OG-NE2 2.88Å; C142-Q145 VanDerWaalsContact O-CG 3.29Å; C142-Q145 WeakPolarHBondContact O-CG 3.29Å; C142-Q145 PolarHBondContact O-NE2 2.75Å; N143-Q145 VanDerWaalsContact C-N 3.35Å; Q145-A147 PolarHBondContact O-N 3.47Å; Q145-K151 PolarHBondContact NE2-O 3.25Å; Q145-E206 HydrophobicContact CG-CB 3.95Å; Q145-E206 HydrophobicContact CG-CG 4.44Å; Q145-I207 WeakPolarHBondContact CB-O 3.44Å; Q145-I207 VanDerWaalsContact CG-O 3.27Å; Q145-I207 WeakPolarHBondContact CG-O 3.3Å; Q145-I207 PolarHBondContact N-O 3.01Å
146D94.4Very high96.7Very high86 Ų8639 Ų3946%0.4623%0.23SC..THydrogen-bonded Turntrans-69.5-18.5167.353.6-68.6000113.2K144 S208K144-D146 WeakPolarHBondContact CA-OD1 3.43Å; K144-D146 PolarHBondContact O-N 2.62Å; D146-S208 VanDerWaalsContact CG-OG 3.3Å; D146-S208 VanDerWaalsContact OD1-CB 3.31Å; D146-S208 WeakPolarHBondContact OD1-CB 3.4Å; D146-S208 PolarHBondContact OD1-OG 2.87Å
147A94.3Very high96.8Very high26 Ų2640.3 Ų40.322%0.21524%0.237CC..SBendtrans-79.3133.5175.300000111.5K109 K144 Q145 T149 A150K109-A147 HydrophobicContact CB-CB 4.33Å; K109-A147 HydrophobicContact CD-CB 4.24Å; K144-A147 WeakPolarHBondContact O-CB 3.48Å; K144-A147 PolarHBondContact O-N 3.14Å; Q145-A147 PolarHBondContact O-N 3.47Å; A147-T149 PolarHBondContact O-N 3.39Å; A147-T149 VanDerWaalsContact O-N 3.09Å; A147-A150 HydrophobicContact CB-CB 4.4Å; A147-A150 WeakPolarHBondContact O-CB 3.37Å; A147-A150 PolarHBondContact O-N 3.24Å
148T93.2Very high96.9Very high149 Ų14942.8 Ų42.891%0.91425%0.25SC*.THydrogen-bonded Turntrans-59.9-25.2179.954.20000114.2
149T94.8Very high96.8Very high75 Ų7544.7 Ų44.746%0.4626%0.26SS..THydrogen-bonded Turntrans-94.33.6179.257.70000113.3K109 A147K109-T149 WeakPolarHBondContact CG-OG1 3.19Å; A147-T149 PolarHBondContact O-N 3.39Å; A147-T149 VanDerWaalsContact O-N 3.09Å
150A96.3Very high96.8Very high20 Ų2044.7 Ų44.717%0.16526%0.26CS..PPolyproline II helixtrans-63.1136.4179.500000111.4S108 K144 A147S108-A150 WeakPolarHBondContact O-CA 3.26Å; K144-A150 WeakPolarHBondContact O-CB 3.29Å; A147-A150 HydrophobicContact CB-CB 4.4Å; A147-A150 WeakPolarHBondContact O-CB 3.37Å; A147-A150 PolarHBondContact O-N 3.24Å
151K97.4Very high96.8Very high63 Ų6346.6 Ų46.627%0.27427%0.268SS..PPolyproline II helixtrans-85.7131.5174.6-55.4-52.3-177.6-177.70110S108 I111 Q145 V155 V156S108-K151 WeakPolarHBondContact CB-O 3.32Å; S108-K151 PolarHBondContact O-N 3.28Å; I111-K151 HydrophobicContact CG2-CB 4.01Å; I111-K151 HydrophobicContact CG2-CG 3.7Å; Q145-K151 PolarHBondContact NE2-O 3.25Å; K151-V155 HydrophobicContact CB-CB 4.23Å; K151-V155 HydrophobicContact CB-CG1 4.14Å; K151-V155 HydrophobicContact CD-CG1 4.3Å; K151-V155 HydrophobicContact CG-CG1 4.28Å; K151-V156 HydrophobicContact CB-CG2 3.88Å
152G96.7Very high96.7Very high22 Ų2253 Ų5323%0.22730%0.297CS..PPolyproline II helixtrans-69.6167.2172.700000112.7S154 V155 V156 E206G152-S154 VanDerWaalsContact C-N 3.3Å; G152-S154 PolarHBondContact O-N 3.18Å; G152-V155 PolarHBondContact O-N 3.42Å; G152-V155 VanDerWaalsContact O-N 3.1Å; G152-V156 PolarHBondContact O-N 2.85Å; G152-E206 WeakPolarHBondContact CA-OE1 3.39Å
153V97.3Very high96.7Very high26 Ų2654.7 Ų54.716%0.15830%0.304CS..Hα-helixtrans-53.5-45.1-176.3157.60000111.7C142 V155 V156 T157 F204 E206C142-V153 HydrophobicContact CB-CG2 4.19Å; V153-V155 VanDerWaalsContact C-N 3.28Å; V153-V155 PolarHBondContact O-N 3.06Å; V153-V156 PolarHBondContact O-N 3.18Å; V153-T157 WeakPolarHBondContact O-CB 3.49Å; V153-T157 PolarHBondContact O-N 2.81Å; V153-T157 PolarHBondContact O-OG1 3.38Å; V153-F204 HydrophobicContact CB-CB 4.37Å; V153-F204 HydrophobicContact CG1-CB 3.39Å; V153-F204 HydrophobicContact CG1-CD1 4.21Å; V153-F204 HydrophobicContact CG1-CG 4.04Å; V153-F204 HydrophobicContact CG2-CB 4.01Å; V153-E206 HydrophobicContact CB-CG 4.15Å; V153-E206 HydrophobicContact CG2-CG 3.43Å; V153-E206 VanDerWaalsContact CG2-CG 3.43Å; V153-E206 PolarHBondContact N-OE1 3.08Å
154S97.3Very high96.7Very high103 Ų10354.5 Ų54.572%0.7230%0.303SS*.Hα-helixtrans-58.3-39.6-178.7-52.50000113G152 H158G152-S154 VanDerWaalsContact C-N 3.3Å; G152-S154 PolarHBondContact O-N 3.18Å; S154-H158 WeakPolarHBondContact O-CB 3.43Å; S154-H158 PolarHBondContact O-N 3.28Å
155V97.5Very high96.7Very high70 Ų7053.5 Ų53.542%0.42430%0.301SS..Hα-helixtrans-73.2-44.6178.8178.60000110.3K151 G152 V153 H158 L159K151-V155 HydrophobicContact CB-CB 4.23Å; K151-V155 HydrophobicContact CB-CG1 4.14Å; K151-V155 HydrophobicContact CD-CG1 4.3Å; K151-V155 HydrophobicContact CG-CG1 4.28Å; G152-V155 PolarHBondContact O-N 3.42Å; G152-V155 VanDerWaalsContact O-N 3.1Å; V153-V155 VanDerWaalsContact C-N 3.28Å; V153-V155 PolarHBondContact O-N 3.06Å; V155-H158 PolarHBondContact O-N 2.57Å; V155-L159 HydrophobicContact CG1-CD1 4.01Å; V155-L159 HydrophobicContact CG1-CG 4.35Å; V155-L159 VanDerWaalsContact O-CG 3.31Å; V155-L159 WeakPolarHBondContact O-CG 3.41Å; V155-L159 PolarHBondContact O-N 3.16Å
156V97.9Very high96.6Very high0 Ų054.2 Ų54.20%031%0.309CS..Hα-helixtrans-61.3-46.4178.51750000111.1I106 I111 K151 G152 V153 H158 L159 L160I106-V156 HydrophobicContact CD1-CG1 3.92Å; I111-V156 HydrophobicContact CG1-CG1 4.45Å; I111-V156 HydrophobicContact CG2-CG2 4.24Å; K151-V156 HydrophobicContact CB-CG2 3.88Å; G152-V156 PolarHBondContact O-N 2.85Å; V153-V156 PolarHBondContact O-N 3.18Å; V156-H158 VanDerWaalsContact C-N 3.35Å; V156-H158 PolarHBondContact O-N 2.79Å; V156-L159 PolarHBondContact O-N 3.24Å; V156-L160 HydrophobicContact CG1-CD1 3.8Å; V156-L160 HydrophobicContact CG1-CG 4.3Å; V156-L160 WeakPolarHBondContact O-CB 3.49Å; V156-L160 WeakPolarHBondContact O-CG 3.49Å; V156-L160 PolarHBondContact O-N 3.41Å
157T98.1Very high96.6Very high27 Ų2751.3 Ų51.317%0.16629%0.293CS..Hα-helixtrans-56.7-48.7175.9-57.10000110.7V153 L159 L160 E161 F195 F204V153-T157 WeakPolarHBondContact O-CB 3.49Å; V153-T157 PolarHBondContact O-N 2.81Å; V153-T157 PolarHBondContact O-OG1 3.38Å; T157-L159 PolarHBondContact O-N 2.84Å; T157-L160 PolarHBondContact O-N 2.86Å; T157-E161 HydrophobicContact CG2-CG 4.42Å; T157-E161 WeakPolarHBondContact O-CG 3.39Å; T157-E161 PolarHBondContact O-N 3.46Å; T157-F195 HydrophobicContact CG2-CD2 3.73Å; T157-F195 HydrophobicContact CG2-CE2 4.19Å; T157-F204 HydrophobicContact CG2-CE2 4.35Å; T157-F204 HydrophobicContact CG2-CZ 4.16Å; T157-F204 WeakPolarHBondContact OG1-CD1 3.45Å; T157-F204 VanDerWaalsContact OG1-CE1 3.32Å; T157-F204 WeakPolarHBondContact OG1-CE1 3.47Å
158H97.7Very high96.5Very high120 Ų12050.4 Ų50.456%0.55629%0.285SS*.Hα-helixtrans-61.4-44.3179-178.471000112.8S154 V155 V156 K162S154-H158 WeakPolarHBondContact O-CB 3.43Å; S154-H158 PolarHBondContact O-N 3.28Å; V155-H158 PolarHBondContact O-N 2.57Å; V156-H158 VanDerWaalsContact C-N 3.35Å; V156-H158 PolarHBondContact O-N 2.79Å; H158-K162 WeakPolarHBondContact O-CB 3.47Å; H158-K162 PolarHBondContact O-N 3.5Å
159L98.1Very high96.3Very high39 Ų3950.9 Ų50.920%0.20427%0.274CS..Hα-helixtrans-60.7-46.5177.6-73.3174000111.6V115 V155 V156 T157 K162 E163V115-L159 HydrophobicContact CG2-CB 4.1Å; V155-L159 HydrophobicContact CG1-CD1 4.01Å; V155-L159 HydrophobicContact CG1-CG 4.35Å; V155-L159 VanDerWaalsContact O-CG 3.31Å; V155-L159 WeakPolarHBondContact O-CG 3.41Å; V155-L159 PolarHBondContact O-N 3.16Å; V156-L159 PolarHBondContact O-N 3.24Å; T157-L159 PolarHBondContact O-N 2.84Å; L159-K162 PolarHBondContact O-N 3.39Å; L159-E163 PolarHBondContact O-N 3.41Å; L159-E163 VanDerWaalsContact O-N 3.07Å
160L98.2Very high96Very high0 Ų050.8 Ų50.80%027%0.274CS..Hα-helixtrans-67.3-44.4179.5-69.2172.4000112I106 V118 A119 L122 V140 V156 T157 K162 E163 L164 F195 F204I106-L160 HydrophobicContact CD1-CD1 3.71Å; V118-L160 HydrophobicContact CG1-CD2 4.05Å; A119-L160 HydrophobicContact CB-CD2 4.27Å; L122-L160 HydrophobicContact CD2-CD1 3.96Å; L122-L160 HydrophobicContact CD2-CD2 4.27Å; V140-L160 HydrophobicContact CG1-CD1 4.44Å; V156-L160 HydrophobicContact CG1-CD1 3.8Å; V156-L160 HydrophobicContact CG1-CG 4.3Å; V156-L160 WeakPolarHBondContact O-CB 3.49Å; V156-L160 WeakPolarHBondContact O-CG 3.49Å; V156-L160 PolarHBondContact O-N 3.41Å; T157-L160 PolarHBondContact O-N 2.86Å; L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 2.79Å; L160-E163 PolarHBondContact O-N 2.86Å; L160-L164 VanDerWaalsContact O-CB 3.25Å; L160-L164 WeakPolarHBondContact O-CB 3.2Å; L160-L164 WeakPolarHBondContact O-CG 3.4Å; L160-L164 PolarHBondContact O-N 2.82Å; L160-F195 HydrophobicContact CB-CE2 3.93Å; L160-F195 HydrophobicContact CB-CZ 3.9Å; L160-F195 HydrophobicContact CD1-CZ 4.34Å; L160-F204 HydrophobicContact CD1-CE1 4.27Å
161E97.6Very high95.5Very high40 Ų4053.4 Ų53.419%0.18728%0.279CS..Hα-helixtrans-60.1-44.3177.2-73.7-172.5157.100111.3T157 E163 L164 N165 T194 F195T157-E161 HydrophobicContact CG2-CG 4.42Å; T157-E161 WeakPolarHBondContact O-CG 3.39Å; T157-E161 PolarHBondContact O-N 3.46Å; E161-E163 PolarHBondContact O-N 3.49Å; E161-L164 PolarHBondContact O-N 2.94Å; E161-N165 WeakPolarHBondContact O-CB 3.36Å; E161-N165 PolarHBondContact O-N 3.19Å; E161-N165 PolarHBondContact O-ND2 3.1Å; E161-T194 WeakPolarHBondContact OE1-CA 3.32Å; E161-T194 WeakPolarHBondContact OE1-CB 3.44Å; E161-F195 HydrophobicContact CG-CD2 3.35Å; E161-F195 HydrophobicContact CG-CE2 3.46Å; E161-F195 VanDerWaalsContact CG-CE2 3.46Å; E161-F195 HydrophobicContact CG-CG 4.44Å; E161-F195 WeakPolarHBondContact OE1-CD2 3.3Å; E161-F195 PolarHBondContact OE1-N 3.22Å
162K97.2Very high94.7Very high136 Ų13652.1 Ų52.159%0.59128%0.277SS*.Hα-helixtrans-57.6-49.8176.7-177.5-178.8176.9-178.20111.1H158 L159 L160 N165 T166H158-K162 WeakPolarHBondContact O-CB 3.47Å; H158-K162 PolarHBondContact O-N 3.5Å; L159-K162 PolarHBondContact O-N 3.39Å; L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 2.79Å; K162-N165 PolarHBondContact O-N 3.19Å; K162-T166 PolarHBondContact O-N 2.65Å; K162-T166 VanDerWaalsContact O-N 3.17Å; K162-T166 PolarHBondContact O-OG1 3.09Å
163E97.4Very high94Very high34 Ų3453.3 Ų53.316%0.15929%0.289CS..Hα-helixtrans-70.9-38.7-177.2-165.760.1-158.200112.6V115 A119 L159 L160 E161 N165 T166 L167V115-E163 HydrophobicContact CG2-CB 4.07Å; V115-E163 HydrophobicContact CG2-CG 4.42Å; A119-E163 HydrophobicContact CB-CB 3.71Å; A119-E163 HydrophobicContact CB-CG 3.5Å; A119-E163 VanDerWaalsContact CB-CG 3.5Å; L159-E163 PolarHBondContact O-N 3.41Å; L159-E163 VanDerWaalsContact O-N 3.07Å; L160-E163 PolarHBondContact O-N 2.86Å; E161-E163 PolarHBondContact O-N 3.49Å; E163-N165 VanDerWaalsContact C-N 3.29Å; E163-N165 PolarHBondContact O-N 3.02Å; E163-T166 WeakPolarHBondContact O-CB 3.24Å; E163-T166 PolarHBondContact O-N 3.4Å; E163-T166 VanDerWaalsContact O-N 3.13Å; E163-L167 WeakPolarHBondContact O-CG 3.43Å; E163-L167 PolarHBondContact O-N 3.18Å
164L96.9Very high93Very high0 Ų056.1 Ų56.10%032%0.315CS..Hα-helixtrans-62.9-34.7175-71.5172.4000112.3A119 L122 Y123 L126 L160 E161 L167 T168 L186 F193 F195A119-L164 HydrophobicContact CB-CD2 4.36Å; A119-L164 HydrophobicContact CB-CG 4.5Å; A119-L164 VanDerWaalsContact O-CD2 3.3Å; A119-L164 WeakPolarHBondContact O-CD2 3.45Å; L122-L164 HydrophobicContact CD2-CD1 4.19Å; Y123-L164 HydrophobicContact CD2-CD2 4.04Å; Y123-L164 HydrophobicContact CG-CD2 4.37Å; L126-L164 HydrophobicContact CD1-CD1 3.88Å; L160-L164 VanDerWaalsContact O-CB 3.25Å; L160-L164 WeakPolarHBondContact O-CB 3.2Å; L160-L164 WeakPolarHBondContact O-CG 3.4Å; L160-L164 PolarHBondContact O-N 2.82Å; E161-L164 PolarHBondContact O-N 2.94Å; L164-L167 HydrophobicContact CD2-CD1 4.45Å; L164-T168 WeakPolarHBondContact O-CB 3.33Å; L164-T168 PolarHBondContact O-N 2.83Å; L164-T168 PolarHBondContact O-OG1 3.28Å; L164-L186 HydrophobicContact CB-CD1 4.04Å; L164-L186 HydrophobicContact CD2-CD1 4.1Å; L164-L186 HydrophobicContact CG-CD1 4.48Å; L164-F193 HydrophobicContact CB-CD1 4.04Å; L164-F193 HydrophobicContact CB-CE1 4.36Å; L164-F193 HydrophobicContact CD1-CD1 4.07Å; L164-F193 HydrophobicContact CD1-CE1 3.52Å; L164-F193 HydrophobicContact CD1-CZ 4.28Å; L164-F195 HydrophobicContact CD1-CE1 4.01Å; L164-F195 HydrophobicContact CD1-CE2 4.41Å; L164-F195 HydrophobicContact CD1-CZ 3.61Å
165N95.7Very high91.7Very high38 Ų3852.9 Ų52.920%0.20329%0.289CS..Hα-helixtrans-65.6-44172.1-83-67.3000111.5E161 K162 E163 L167 T168 F169 T192 F193E161-N165 WeakPolarHBondContact O-CB 3.36Å; E161-N165 PolarHBondContact O-N 3.19Å; E161-N165 PolarHBondContact O-ND2 3.1Å; K162-N165 PolarHBondContact O-N 3.19Å; E163-N165 VanDerWaalsContact C-N 3.29Å; E163-N165 PolarHBondContact O-N 3.02Å; N165-L167 PolarHBondContact O-N 3.37Å; N165-T168 PolarHBondContact O-N 3.13Å; N165-F169 PolarHBondContact O-N 3.04Å; N165-T192 WeakPolarHBondContact OD1-CA 3.4Å; N165-F193 PolarHBondContact ND2-O 2.71Å; N165-F193 PolarHBondContact OD1-N 3.08Å
166T94.7Very high90.3Very high65 Ų6553.6 Ų53.640%0.39930%0.303SS..Hα-helixtrans-57.2-49.7173.2-54.20000111K162 E163 T168 F169 T170K162-T166 PolarHBondContact O-N 2.65Å; K162-T166 VanDerWaalsContact O-N 3.17Å; K162-T166 PolarHBondContact O-OG1 3.09Å; E163-T166 WeakPolarHBondContact O-CB 3.24Å; E163-T166 PolarHBondContact O-N 3.4Å; E163-T166 VanDerWaalsContact O-N 3.13Å; T166-T168 VanDerWaalsContact C-N 3.33Å; T166-T168 PolarHBondContact O-N 2.62Å; T166-F169 PolarHBondContact O-N 2.66Å; T166-T170 HydrophobicContact CG2-CG2 4.46Å; T166-T170 WeakPolarHBondContact O-CG2 3.44Å; T166-T170 PolarHBondContact O-N 2.92Å; T166-T170 PolarHBondContact O-OG1 2.87Å
167L93.8Very high88.8Confident24 Ų2457.4 Ų57.413%0.12634%0.342CS..Hα-helixtrans-61.7-38.3178.3-72.6171000113A119 E120 Y123 E163 L164 N165 T170 R171A119-L167 HydrophobicContact CB-CD1 4.01Å; E120-L167 HydrophobicContact CB-CD1 4.25Å; Y123-L167 HydrophobicContact CD2-CB 3.98Å; Y123-L167 HydrophobicContact CE2-CB 4.32Å; E163-L167 WeakPolarHBondContact O-CG 3.43Å; E163-L167 PolarHBondContact O-N 3.18Å; L164-L167 HydrophobicContact CD2-CD1 4.45Å; N165-L167 PolarHBondContact O-N 3.37Å; L167-T170 WeakPolarHBondContact CA-OG1 3.48Å; L167-T170 PolarHBondContact O-OG1 3Å; L167-T170 VanDerWaalsContact O-OG1 3.08Å; L167-R171 WeakPolarHBondContact O-CB 3.35Å; L167-R171 WeakPolarHBondContact O-CG 3.17Å; L167-R171 PolarHBondContact O-N 3.22Å
168T91.9Very high87.3Confident7 Ų761.4 Ų61.44%0.04336%0.361CS..Hα-helixtrans-64.8-43.7175.9-56.20000110.4Y123 L164 N165 T166 T172Y123-T168 WeakPolarHBondContact CE2-OG1 3.11Å; L164-T168 WeakPolarHBondContact O-CB 3.33Å; L164-T168 PolarHBondContact O-N 2.83Å; L164-T168 PolarHBondContact O-OG1 3.28Å; N165-T168 PolarHBondContact O-N 3.13Å; T166-T168 VanDerWaalsContact C-N 3.33Å; T166-T168 PolarHBondContact O-N 2.62Å; T168-T172 VanDerWaalsContact O-CB 3.3Å; T168-T172 WeakPolarHBondContact O-CB 3.48Å; T168-T172 PolarHBondContact O-N 3.13Å; T168-T172 PolarHBondContact O-OG1 3.02Å
169F89Confident85.4Confident159 Ų15962 Ų6270%0.69737%0.369SS*.Hα-helixtrans-63.8-48177.7180-98.6000111.7N165 T166 R171 T172 G173N165-F169 PolarHBondContact O-N 3.04Å; T166-F169 PolarHBondContact O-N 2.66Å; F169-R171 PolarHBondContact O-N 3.29Å; F169-T172 PolarHBondContact O-N 2.63Å; F169-G173 PolarHBondContact O-N 2.88Å
170T88.8Confident83.5Confident73 Ų7367.5 Ų67.545%0.44839%0.394SS..Hα-helixtrans-63.8-43.5179.758.20000112T166 L167 G173 A174T166-T170 HydrophobicContact CG2-CG2 4.46Å; T166-T170 WeakPolarHBondContact O-CG2 3.44Å; T166-T170 PolarHBondContact O-N 2.92Å; T166-T170 PolarHBondContact O-OG1 2.87Å; L167-T170 WeakPolarHBondContact CA-OG1 3.48Å; L167-T170 PolarHBondContact O-OG1 3Å; L167-T170 VanDerWaalsContact O-OG1 3.08Å; T170-G173 PolarHBondContact O-N 2.81Å; T170-A174 WeakPolarHBondContact O-CB 3.33Å; T170-A174 PolarHBondContact O-N 3Å
171R85.9Confident81.4Confident76 Ų7672.8 Ų72.829%0.28743%0.43SS..Hα-helixtrans-65.3-42175.8-72.9-166.7177.4-177.36.7111.6E120 N124 L167 F169 G173 L175E120-R171 IonicContact OE1-NH2 3.5Å; E120-R171 PolarHBondContact OE1-NH2 2.78Å; N124-R171 PolarHBondContact OD1-NH1 3.47Å; N124-R171 PolarHBondContact OD1-NH2 2.87Å; N124-R171 VanDerWaalsContact OD1-NH2 3.16Å; L167-R171 WeakPolarHBondContact O-CB 3.35Å; L167-R171 WeakPolarHBondContact O-CG 3.17Å; L167-R171 PolarHBondContact O-N 3.22Å; F169-R171 PolarHBondContact O-N 3.29Å; R171-G173 PolarHBondContact O-N 2.82Å; R171-L175 WeakPolarHBondContact O-CB 3.27Å; R171-L175 WeakPolarHBondContact O-CD1 3.25Å; R171-L175 WeakPolarHBondContact O-CG 3.36Å; R171-L175 PolarHBondContact O-N 2.77Å
172T81.8Confident79.6Confident36 Ų3675.4 Ų75.422%0.22145%0.449CS..Hα-helixtrans-64.8-42.5177.7-52.60000111.7T168 F169 L175 A176 P189T168-T172 VanDerWaalsContact O-CB 3.3Å; T168-T172 WeakPolarHBondContact O-CB 3.48Å; T168-T172 PolarHBondContact O-N 3.13Å; T168-T172 PolarHBondContact O-OG1 3.02Å; F169-T172 PolarHBondContact O-N 2.63Å; T172-L175 CarbonylContact O-C 3.6Å; T172-L175 PolarHBondContact O-N 3.41Å; T172-L175 VanDerWaalsContact O-N 3.16Å; T172-A176 PolarHBondContact O-N 3.18Å; T172-P189 HydrophobicContact CG2-CB 4.28Å; T172-P189 HydrophobicContact CG2-CG 3.85Å
173G80.7Confident78Confident47 Ų4772.5 Ų72.549%0.48544%0.439SS..Hα-helixtrans-65.6-42.1178.900000113.1F169 T170 R171 L175 A176F169-G173 PolarHBondContact O-N 2.88Å; T170-G173 PolarHBondContact O-N 2.81Å; R171-G173 PolarHBondContact O-N 2.82Å; G173-L175 PolarHBondContact O-N 2.69Å; G173-L175 VanDerWaalsContact O-N 3.12Å; G173-A176 WeakPolarHBondContact O-CB 2.94Å; G173-A176 PolarHBondContact O-N 3.15Å
174A76.7Confident77Confident84 Ų8472.6 Ų72.669%0.69444%0.444SS*.Hα-helixtrans-61.7-19.2174.500000113.1T170T170-A174 WeakPolarHBondContact O-CB 3.33Å; T170-A174 PolarHBondContact O-N 3Å
175L69.3Low76.5Confident36 Ų3674.1 Ų74.119%0.18845%0.453CS..THydrogen-bonded Turntrans-106.55.9-174.7-62.4170.9000113.6R171 T172 G173 G177 L178 I183R171-L175 WeakPolarHBondContact O-CB 3.27Å; R171-L175 WeakPolarHBondContact O-CD1 3.25Å; R171-L175 WeakPolarHBondContact O-CG 3.36Å; R171-L175 PolarHBondContact O-N 2.77Å; T172-L175 CarbonylContact O-C 3.6Å; T172-L175 PolarHBondContact O-N 3.41Å; T172-L175 VanDerWaalsContact O-N 3.16Å; G173-L175 PolarHBondContact O-N 2.69Å; G173-L175 VanDerWaalsContact O-N 3.12Å; L175-G177 PolarHBondContact O-N 3.35Å; L175-L178 HydrophobicContact CD2-CD1 3.71Å; L175-L178 PolarHBondContact O-N 2.89Å; L175-I183 HydrophobicContact CD1-CB 4.02Å; L175-I183 HydrophobicContact CD1-CD1 3.51Å; L175-I183 HydrophobicContact CD1-CG1 4.34Å; L175-I183 HydrophobicContact CD1-CG2 3.56Å; L175-I183 HydrophobicContact CD2-CD1 3.27Å; L175-I183 HydrophobicContact CG-CD1 3.92Å
176A68.2Low76.2Confident85 Ų8573 Ų7370%0.70245%0.447SS*.THydrogen-bonded Turntrans-60-10.2-178.200000114.4T172 G173T172-A176 PolarHBondContact O-N 3.18Å; G173-A176 WeakPolarHBondContact O-CB 2.94Å; G173-A176 PolarHBondContact O-N 3.15Å
177G67.2Low76Confident80 Ų8071.2 Ų71.283%0.82544%0.436SS*.THydrogen-bonded Turntrans-115.87.1175.600000115.9L175L175-G177 PolarHBondContact O-N 3.35Å
178L65.9Low75.5Confident110 Ų11080 Ų8058%0.57647%0.468SS*.SBendtrans-115.5151.6-179.6-74.2161.2000110.7L175 Q180L175-L178 HydrophobicContact CD2-CD1 3.71Å; L175-L178 PolarHBondContact O-N 2.89Å; L178-Q180 PolarHBondContact O-N 3.11Å
179D58.9Low74.9Confident133 Ų13384 Ų8471%0.71149%0.494SS*.  trans-56110.7178.6-78.9-28.9000111.2S181D179-S181 PolarHBondContact O-N 3.4Å
180Q57.3Low74.6Confident155 Ų15580.6 Ų80.672%0.72450%0.504SS*.THydrogen-bonded Turntrans-63.6-13.1-173.3-66-177.46.700113.6L178 T182L178-Q180 PolarHBondContact O-N 3.11Å; Q180-T182 VanDerWaalsContact C-N 3.29Å; Q180-T182 PolarHBondContact O-N 3.28Å
181S55.7Low74.6Confident110 Ų11080.7 Ų80.777%0.76950%0.504SS*.THydrogen-bonded Turntrans-69.3-25.2-174.959.80000113.4D179D179-S181 PolarHBondContact O-N 3.4Å
182T57.8Low75Confident95 Ų9581.7 Ų81.758%0.58352%0.518SS*.SBendtrans-87.2-27.8-172-23.10000113K129 Q180K129-T182 PolarHBondContact NZ-O 3.46Å; Q180-T182 VanDerWaalsContact C-N 3.29Å; Q180-T182 PolarHBondContact O-N 3.28Å
183I64.6Low75.6Confident75 Ų7580.2 Ų80.239%0.38551%0.509SS..  trans-107.7117.2-162.1-53.8171.5000111.3L175 T185L175-I183 HydrophobicContact CD1-CB 4.02Å; L175-I183 HydrophobicContact CD1-CD1 3.51Å; L175-I183 HydrophobicContact CD1-CG1 4.34Å; L175-I183 HydrophobicContact CD1-CG2 3.56Å; L175-I183 HydrophobicContact CD2-CD1 3.27Å; L175-I183 HydrophobicContact CG-CD1 3.92Å; I183-T185 PolarHBondContact O-N 2.95Å
184S76.7Confident76.4Confident36 Ų3679.9 Ų79.925%0.25250%0.498SS..  trans-81.1101.3177.844.60000111V127V127-S184 WeakPolarHBondContact CB-O 3.38Å; V127-S184 WeakPolarHBondContact CG1-O 3.46Å; V127-S184 PolarHBondContact O-OG 3.02Å
185T86.6Confident77.3Confident32 Ų3276.5 Ų76.520%0.19647%0.467CS..  trans-83.6159.816557.60000110.7Y123 I183 T187 R199Y123-T185 WeakPolarHBondContact OH-CA 3.28Å; I183-T185 PolarHBondContact O-N 2.95Å; T185-T187 PolarHBondContact OG1-O 3.01Å; T185-R199 PolarHBondContact O-NH2 3.38Å
186L89.7Confident78.5Confident15 Ų1579.6 Ų79.68%0.07950%0.498CS..SBendtrans-63.4-47178.3-73.4174.8000112.7Y123 L126 V127 L164 F193 R199Y123-L186 HydrophobicContact CD2-CD1 3.41Å; Y123-L186 VanDerWaalsContact CD2-CD1 3.41Å; Y123-L186 HydrophobicContact CD2-CG 3.81Å; Y123-L186 HydrophobicContact CE2-CB 4.39Å; Y123-L186 HydrophobicContact CE2-CD1 3.54Å; Y123-L186 HydrophobicContact CE2-CG 3.55Å; Y123-L186 HydrophobicContact CG-CD1 4.36Å; L126-L186 HydrophobicContact CB-CD2 3.41Å; L126-L186 VanDerWaalsContact CB-CD2 3.41Å; L126-L186 HydrophobicContact CD1-CD2 4.09Å; L126-L186 HydrophobicContact CG-CD2 4.4Å; V127-L186 HydrophobicContact CG1-CD2 3.57Å; V127-L186 HydrophobicContact CG1-CG 3.84Å; L164-L186 HydrophobicContact CB-CD1 4.04Å; L164-L186 HydrophobicContact CD2-CD1 4.1Å; L164-L186 HydrophobicContact CG-CD1 4.48Å; L186-F193 HydrophobicContact CB-CD2 4.03Å; L186-F193 HydrophobicContact CD1-CD1 4.45Å; L186-F193 HydrophobicContact CD1-CD2 4.19Å; L186-F193 HydrophobicContact CD1-CE2 4.4Å; L186-F193 HydrophobicContact CD1-CG 4.21Å; L186-F193 HydrophobicContact CD2-CE2 4.35Å; L186-R199 PolarHBondContact O-NH2 3.39Å
187T89.5Confident79.7Confident27 Ų2783.1 Ų83.117%0.16650%0.498CS..SBendtrans-129.5167.4179.654.80000110.9T185 V191 F193T185-T187 PolarHBondContact OG1-O 3.01Å; T187-V191 WeakPolarHBondContact CB-O 3.34Å; T187-V191 HydrophobicContact CG2-CG1 4.45Å; T187-V191 PolarHBondContact OG1-O 3.21Å; T187-F193 HydrophobicContact CG2-CB 3.86Å; T187-F193 HydrophobicContact CG2-CD2 4.13Å
188R83.7Confident81Confident209 Ų20980.4 Ų80.479%0.78947%0.466SS*.  trans-69154.1169.9-65.7-178.7-175.4172.90.9109.9G190 V191R188-G190 PolarHBondContact O-N 3.07Å; R188-V191 HydrophobicContact CB-CG2 4.44Å; R188-V191 PolarHBondContact O-N 3.45Å; R188-V191 VanDerWaalsContact O-N 3.12Å
189P79.5Confident82.3Confident91 Ų9179.5 Ų79.559%0.59146%0.455SS*.THydrogen-bonded Turntrans-51.5134.8174.2-21.430000111.1T172 V191T172-P189 HydrophobicContact CG2-CB 4.28Å; T172-P189 HydrophobicContact CG2-CG 3.85Å; P189-V191 VanDerWaalsContact C-N 3.34Å; P189-V191 PolarHBondContact O-N 2.96Å
190G81.9Confident84.1Confident88 Ų8873.3 Ų73.391%0.90742%0.422SS*.THydrogen-bonded Turntrans83-3.2179.900000116R188R188-G190 PolarHBondContact O-N 3.07Å
191V90.2Very high86Confident75 Ų7568.8 Ų68.846%0.45541%0.406SS..  trans-105120.9176.7-178.80000110.7T187 R188 P189 F193T187-V191 WeakPolarHBondContact CB-O 3.34Å; T187-V191 HydrophobicContact CG2-CG1 4.45Å; T187-V191 PolarHBondContact OG1-O 3.21Å; R188-V191 HydrophobicContact CB-CG2 4.44Å; R188-V191 PolarHBondContact O-N 3.45Å; R188-V191 VanDerWaalsContact O-N 3.12Å; P189-V191 VanDerWaalsContact C-N 3.34Å; P189-V191 PolarHBondContact O-N 2.96Å; V191-F193 PolarHBondContact O-N 3.2Å
192T92.6Very high87.9Confident96 Ų9664.7 Ų64.759%0.58938%0.376SS*.  trans-66.9125.2174.6-47.90000110.9N165N165-T192 WeakPolarHBondContact OD1-CA 3.4Å
193F95.3Very high89.8Confident5 Ų563.6 Ų63.62%0.02237%0.367CS..  trans-69135.9171.1174.6-98000110.6L126 L164 N165 L186 T187 V191 F195L126-F193 HydrophobicContact CD1-CZ 3.98Å; L164-F193 HydrophobicContact CB-CD1 4.04Å; L164-F193 HydrophobicContact CB-CE1 4.36Å; L164-F193 HydrophobicContact CD1-CD1 4.07Å; L164-F193 HydrophobicContact CD1-CE1 3.52Å; L164-F193 HydrophobicContact CD1-CZ 4.28Å; N165-F193 PolarHBondContact ND2-O 2.71Å; N165-F193 PolarHBondContact OD1-N 3.08Å; L186-F193 HydrophobicContact CB-CD2 4.03Å; L186-F193 HydrophobicContact CD1-CD1 4.45Å; L186-F193 HydrophobicContact CD1-CD2 4.19Å; L186-F193 HydrophobicContact CD1-CE2 4.4Å; L186-F193 HydrophobicContact CD1-CG 4.21Å; L186-F193 HydrophobicContact CD2-CE2 4.35Å; T187-F193 HydrophobicContact CG2-CB 3.86Å; T187-F193 HydrophobicContact CG2-CD2 4.13Å; V191-F193 PolarHBondContact O-N 3.2Å; F193-F195 HydrophobicContact CE1-CD1 4.01Å; F193-F195 HydrophobicContact CE1-CD2 4.38Å; F193-F195 HydrophobicContact CE1-CE1 4.01Å; F193-F195 HydrophobicContact CE1-CE2 4.38Å; F193-F195 HydrophobicContact CE1-CG 4.2Å; F193-F195 HydrophobicContact CE1-CZ 4.2Å; F193-F195 AromaticContact CZ-CD1 3.85Å; F193-F195 HydrophobicContact CZ-CD1 3.85Å; F193-F195 HydrophobicContact CZ-CE1 4.07Å; F193-F195 HydrophobicContact CZ-CG 4.3Å
194T96.6Very high91.4Very high40 Ų4062.1 Ų62.125%0.24536%0.358CS..  trans-137.8147.1166.748.10000108E161 A196 K197 S198E161-T194 WeakPolarHBondContact OE1-CA 3.32Å; E161-T194 WeakPolarHBondContact OE1-CB 3.44Å; T194-A196 PolarHBondContact O-N 3.44Å; T194-K197 PolarHBondContact O-N 2.89Å; T194-S198 PolarHBondContact O-N 3.43Å
195F96.6Very high92.4Very high14 Ų1461.7 Ų61.76%0.06135%0.353CS..G310 helixtrans-61.4-31.1-179-74.2-74.4000112.3L122 L126 T157 L160 E161 L164 F193 K197 S198 V202 F204L122-F195 HydrophobicContact CD2-CE1 4.04Å; L122-F195 HydrophobicContact CD2-CZ 3.89Å; L126-F195 HydrophobicContact CD1-CE1 4.15Å; T157-F195 HydrophobicContact CG2-CD2 3.73Å; T157-F195 HydrophobicContact CG2-CE2 4.19Å; L160-F195 HydrophobicContact CB-CE2 3.93Å; L160-F195 HydrophobicContact CB-CZ 3.9Å; L160-F195 HydrophobicContact CD1-CZ 4.34Å; E161-F195 HydrophobicContact CG-CD2 3.35Å; E161-F195 HydrophobicContact CG-CE2 3.46Å; E161-F195 VanDerWaalsContact CG-CE2 3.46Å; E161-F195 HydrophobicContact CG-CG 4.44Å; E161-F195 WeakPolarHBondContact OE1-CD2 3.3Å; E161-F195 PolarHBondContact OE1-N 3.22Å; L164-F195 HydrophobicContact CD1-CE1 4.01Å; L164-F195 HydrophobicContact CD1-CE2 4.41Å; L164-F195 HydrophobicContact CD1-CZ 3.61Å; F193-F195 HydrophobicContact CE1-CD1 4.01Å; F193-F195 HydrophobicContact CE1-CD2 4.38Å; F193-F195 HydrophobicContact CE1-CE1 4.01Å; F193-F195 HydrophobicContact CE1-CE2 4.38Å; F193-F195 HydrophobicContact CE1-CG 4.2Å; F193-F195 HydrophobicContact CE1-CZ 4.2Å; F193-F195 AromaticContact CZ-CD1 3.85Å; F193-F195 HydrophobicContact CZ-CD1 3.85Å; F193-F195 HydrophobicContact CZ-CE1 4.07Å; F193-F195 HydrophobicContact CZ-CG 4.3Å; F195-K197 PolarHBondContact O-N 3Å; F195-S198 WeakPolarHBondContact O-CB 3.26Å; F195-S198 PolarHBondContact O-N 3.46Å; F195-V202 HydrophobicContact CD1-CB 4.24Å; F195-V202 HydrophobicContact CD1-CG1 3.93Å; F195-V202 HydrophobicContact CD1-CG2 4.19Å; F195-V202 HydrophobicContact CE1-CG1 4.45Å; F195-F204 HydrophobicContact CB-CE2 4.14Å; F195-F204 HydrophobicContact CD1-CE2 4.13Å; F195-F204 HydrophobicContact CD1-CZ 4.12Å; F195-F204 AromaticContact CD2-CE2 3.9Å; F195-F204 HydrophobicContact CD2-CE2 3.9Å; F195-F204 AromaticContact CD2-CZ 3.66Å; F195-F204 HydrophobicContact CD2-CZ 3.66Å; F195-F204 HydrophobicContact CE1-CZ 4.08Å; F195-F204 HydrophobicContact CE2-CE2 4.32Å; F195-F204 AromaticContact CE2-CZ 3.61Å; F195-F204 HydrophobicContact CE2-CZ 3.61Å; F195-F204 AromaticContact CG-CE2 3.8Å; F195-F204 HydrophobicContact CG-CE2 3.8Å; F195-F204 AromaticContact CG-CZ 3.91Å; F195-F204 HydrophobicContact CG-CZ 3.91Å; F195-F204 AromaticContact CZ-CZ 3.83Å; F195-F204 HydrophobicContact CZ-CZ 3.83Å
196A94.3Very high92.9Very high101 Ų10164.9 Ų64.984%0.83537%0.366SS*.G310 helixtrans-59.8-25.9173.900000113.7T194T194-A196 PolarHBondContact O-N 3.44Å
197K92.8Very high93.3Very high159 Ų15964.3 Ų64.369%0.69136%0.363SS*.G310 helixtrans-104.412.1177.7-62.2-178.8-175.9175.40112.6T194 F195T194-K197 PolarHBondContact O-N 2.89Å; F195-K197 PolarHBondContact O-N 3Å
198S94.5Very high93.6Very high23 Ų2363.3 Ų63.316%0.16136%0.357CS..  trans-63.2149.8177.3-1790000111.4T194 F195 L200T194-S198 PolarHBondContact O-N 3.43Å; F195-S198 WeakPolarHBondContact O-CB 3.26Å; F195-S198 PolarHBondContact O-N 3.46Å; S198-L200 VanDerWaalsContact C-N 3.27Å; S198-L200 VanDerWaalsContact CB-O 3.29Å; S198-L200 WeakPolarHBondContact CB-O 3.26Å; S198-L200 PolarHBondContact OG-N 2.8Å; S198-L200 PolarHBondContact OG-O 2.88Å; S198-L200 VanDerWaalsContact OG-O 3.13Å
199R94.4Very high93.9Very high90 Ų9053.6 Ų53.634%0.3432%0.321SS..SBendtrans-71.6-25173.5-82.7175.5-88.1175-11112.8I132 R135 T185 L186I132-R199 HydrophobicContact CG1-CB 4.26Å; I132-R199 HydrophobicContact CG2-CB 4.32Å; R135-R199 PolarHBondContact NH1-O 3.44Å; T185-R199 PolarHBondContact O-NH2 3.38Å; L186-R199 PolarHBondContact O-NH2 3.39Å
200L95.9Very high94.4Very high3 Ų352.6 Ų52.62%0.01631%0.314CS..SBendtrans-96.7142171.9-59.6-178.2000109.1L126 F131 I132 S198 V202L126-L200 HydrophobicContact CD2-CD1 4.37Å; F131-L200 HydrophobicContact CB-CD1 4.24Å; F131-L200 HydrophobicContact CB-CD2 4.39Å; F131-L200 WeakPolarHBondContact O-CD2 2.99Å; I132-L200 HydrophobicContact CG1-CD2 4.17Å; I132-L200 HydrophobicContact CG1-CG 4.48Å; S198-L200 VanDerWaalsContact C-N 3.27Å; S198-L200 VanDerWaalsContact CB-O 3.29Å; S198-L200 WeakPolarHBondContact CB-O 3.26Å; S198-L200 PolarHBondContact OG-N 2.8Å; S198-L200 PolarHBondContact OG-O 2.88Å; S198-L200 VanDerWaalsContact OG-O 3.13Å; L200-V202 HydrophobicContact CB-CG2 4.47Å; L200-V202 WeakPolarHBondContact O-CG2 3.46Å; L200-V202 PolarHBondContact O-N 3.25Å
201P96.2Very high94.7Very high61 Ų6154.5 Ų54.540%0.39630%0.303SS..  trans-67.2121.7167.325.9-27.3000108.9K137 L138K137-P201 HydrophobicContact CB-CG 4.44Å; K137-P201 HydrophobicContact CG-CG 4.01Å; L138-P201 PolarHBondContact N-O 3.4Å
202V97.7Very high94.6Very high23 Ų2355.3 Ų55.314%0.13931%0.305CS..EExtended strand (participates in β ladder)trans-120.6122.8-177-169.70000109.9L126 L138 V140 F195 L200 F204L126-V202 HydrophobicContact CD2-CG2 4.24Å; L138-V202 HydrophobicContact CB-CG2 4.29Å; L138-V202 HydrophobicContact CD2-CG1 4.17Å; L138-V202 HydrophobicContact CD2-CG2 4.01Å; L138-V202 HydrophobicContact CG-CG1 4.23Å; L138-V202 CarbonylContact O-C 3.51Å; L138-V202 VanDerWaalsContact O-CA 3.26Å; L138-V202 WeakPolarHBondContact O-CA 3.36Å; V140-V202 HydrophobicContact CG2-CG1 3.98Å; F195-V202 HydrophobicContact CD1-CB 4.24Å; F195-V202 HydrophobicContact CD1-CG1 3.93Å; F195-V202 HydrophobicContact CD1-CG2 4.19Å; F195-V202 HydrophobicContact CE1-CG1 4.45Å; L200-V202 HydrophobicContact CB-CG2 4.47Å; L200-V202 WeakPolarHBondContact O-CG2 3.46Å; L200-V202 PolarHBondContact O-N 3.25Å; V202-F204 HydrophobicContact CG1-CD2 4.27Å; V202-F204 HydrophobicContact CG1-CE2 3.7Å; V202-F204 HydrophobicContact CG1-CZ 4.34Å
203D97.6Very high94.4Very high73 Ų7351.4 Ų51.439%0.3928%0.283SS..EExtended strand (participates in β ladder)trans-111.7157.1172.3-62.6-44.9000110L138 L139 V140 W219L138-D203 PolarHBondContact O-N 2.92Å; L139-D203 CarbonylContact C-O 3.58Å; L139-D203 WeakPolarHBondContact CA-O 3.44Å; L139-D203 HydrophobicContact CD1-CB 3.78Å; V140-D203 PolarHBondContact N-O 3.5Å; D203-W219 PolarHBondContact OD2-NE1 3.37Å
204F97.9Very high94.2Very high43 Ų4353.9 Ų53.919%0.18930%0.3CS..EExtended strand (participates in β ladder)trans-126.7139.9176.4-74.7-105.2000110.3V140 V153 T157 L160 F195 V202V140-F204 HydrophobicContact CB-CD1 3.54Å; V140-F204 HydrophobicContact CB-CE1 3.52Å; V140-F204 HydrophobicContact CB-CG 4.06Å; V140-F204 HydrophobicContact CB-CZ 4.02Å; V140-F204 HydrophobicContact CG1-CD1 3.7Å; V140-F204 HydrophobicContact CG1-CE1 3.52Å; V140-F204 HydrophobicContact CG1-CZ 4.36Å; V140-F204 HydrophobicContact CG2-CD1 4.3Å; V140-F204 HydrophobicContact CG2-CE1 3.84Å; V140-F204 HydrophobicContact CG2-CE2 4.34Å; V140-F204 HydrophobicContact CG2-CZ 3.85Å; V140-F204 WeakPolarHBondContact O-CA 3.35Å; V153-F204 HydrophobicContact CB-CB 4.37Å; V153-F204 HydrophobicContact CG1-CB 3.39Å; V153-F204 HydrophobicContact CG1-CD1 4.21Å; V153-F204 HydrophobicContact CG1-CG 4.04Å; V153-F204 HydrophobicContact CG2-CB 4.01Å; T157-F204 HydrophobicContact CG2-CE2 4.35Å; T157-F204 HydrophobicContact CG2-CZ 4.16Å; T157-F204 WeakPolarHBondContact OG1-CD1 3.45Å; T157-F204 VanDerWaalsContact OG1-CE1 3.32Å; T157-F204 WeakPolarHBondContact OG1-CE1 3.47Å; L160-F204 HydrophobicContact CD1-CE1 4.27Å; F195-F204 HydrophobicContact CB-CE2 4.14Å; F195-F204 HydrophobicContact CD1-CE2 4.13Å; F195-F204 HydrophobicContact CD1-CZ 4.12Å; F195-F204 AromaticContact CD2-CE2 3.9Å; F195-F204 HydrophobicContact CD2-CE2 3.9Å; F195-F204 AromaticContact CD2-CZ 3.66Å; F195-F204 HydrophobicContact CD2-CZ 3.66Å; F195-F204 HydrophobicContact CE1-CZ 4.08Å; F195-F204 HydrophobicContact CE2-CE2 4.32Å; F195-F204 AromaticContact CE2-CZ 3.61Å; F195-F204 HydrophobicContact CE2-CZ 3.61Å; F195-F204 AromaticContact CG-CE2 3.8Å; F195-F204 HydrophobicContact CG-CE2 3.8Å; F195-F204 AromaticContact CG-CZ 3.91Å; F195-F204 HydrophobicContact CG-CZ 3.91Å; F195-F204 AromaticContact CZ-CZ 3.83Å; F195-F204 HydrophobicContact CZ-CZ 3.83Å; V202-F204 HydrophobicContact CG1-CD2 4.27Å; V202-F204 HydrophobicContact CG1-CE2 3.7Å; V202-F204 HydrophobicContact CG1-CZ 4.34Å
205V97.6Very high94.1Very high27 Ų2753.3 Ų53.316%0.16430%0.3CS..EExtended strand (participates in β ladder)trans-140.8150.9175.1-67.10000111.6L139 V140 A141 C142 I207 A215 I216L139-V205 HydrophobicContact CD1-CB 4.35Å; L139-V205 HydrophobicContact CD1-CG1 3.86Å; L139-V205 HydrophobicContact CD1-CG2 3.76Å; L139-V205 HydrophobicContact CD2-CG2 3.85Å; L139-V205 HydrophobicContact CG-CG2 3.93Å; V140-V205 PolarHBondContact O-N 3.47Å; A141-V205 HydrophobicContact CB-CG2 4.26Å; C142-V205 WeakPolarHBondContact CB-O 3.43Å; C142-V205 PolarHBondContact N-O 3.43Å; V205-I207 HydrophobicContact CG2-CG2 4.26Å; V205-A215 HydrophobicContact CB-CB 4.18Å; V205-A215 HydrophobicContact CG1-CB 4.24Å; V205-I216 HydrophobicContact CG2-CG1 4.21Å
206E97.1Very high93.9Very high99 Ų9952.7 Ų52.746%0.46330%0.297SS..EExtended strand (participates in β ladder)trans-95.5129.1169.7-68.4-177.4-179.300109.1Q145 G152 V153Q145-E206 HydrophobicContact CG-CB 3.95Å; Q145-E206 HydrophobicContact CG-CG 4.44Å; G152-E206 WeakPolarHBondContact CA-OE1 3.39Å; V153-E206 HydrophobicContact CB-CG 4.15Å; V153-E206 HydrophobicContact CG2-CG 3.43Å; V153-E206 VanDerWaalsContact CG2-CG 3.43Å; V153-E206 PolarHBondContact N-OE1 3.08Å
207I96.7Very high93.7Very high4 Ų452.1 Ų52.12%0.02128%0.277CS..  trans-142.5161178.454.2135.6000112.4L46 A141 C142 N143 K144 Q145 V205 A215 I216L46-I207 HydrophobicContact CD1-CD1 3.89Å; L46-I207 HydrophobicContact CD2-CD1 3.86Å; L46-I207 HydrophobicContact CG-CD1 4.46Å; A141-I207 HydrophobicContact CB-CD1 4.15Å; A141-I207 HydrophobicContact CB-CG1 4.11Å; C142-I207 PolarHBondContact O-N 3.47Å; N143-I207 CarbonylContact C-O 3.55Å; N143-I207 VanDerWaalsContact CA-O 3.29Å; N143-I207 WeakPolarHBondContact CA-O 3.49Å; N143-I207 HydrophobicContact CB-CD1 3.96Å; N143-I207 HydrophobicContact CB-CG1 4.23Å; K144-I207 PolarHBondContact N-O 2.88Å; Q145-I207 WeakPolarHBondContact CB-O 3.44Å; Q145-I207 VanDerWaalsContact CG-O 3.27Å; Q145-I207 WeakPolarHBondContact CG-O 3.3Å; Q145-I207 PolarHBondContact N-O 3.01Å; V205-I207 HydrophobicContact CG2-CG2 4.26Å; I207-A215 HydrophobicContact CG2-CB 4.01Å; I207-I216 HydrophobicContact CD1-CD1 3.56Å; I207-I216 HydrophobicContact CG1-CD1 4.12Å; I207-I216 HydrophobicContact CG2-CD1 4.1Å; I207-I216 HydrophobicContact CG2-CG1 3.95Å
208S95.6Very high93.7Very high6 Ų651.3 Ų51.34%0.04227%0.274CS..BIsolated β-bridgetrans-127.2112.2162.7171.20000107.4D146 T210 N211 N212D146-S208 VanDerWaalsContact CG-OG 3.3Å; D146-S208 VanDerWaalsContact OD1-CB 3.31Å; D146-S208 WeakPolarHBondContact OD1-CB 3.4Å; D146-S208 PolarHBondContact OD1-OG 2.87Å; S208-T210 PolarHBondContact O-N 2.86Å; S208-T210 VanDerWaalsContact O-N 3.1Å; S208-T210 PolarHBondContact OG-OG1 2.71Å; S208-T210 VanDerWaalsContact OG-OG1 3.09Å; S208-N211 PolarHBondContact O-N 2.88Å; S208-N211 PolarHBondContact OG-N 2.76Å; S208-N212 PolarHBondContact N-O 3.21Å; S208-N212 CarbonylContact O-C 3.42Å; S208-N212 WeakPolarHBondContact O-CA 3.44Å; S208-N212 PolarHBondContact O-N 3.02Å; S208-N212 VanDerWaalsContact O-O 3.12Å
209A91.8Very high93.8Very high4 Ų450.9 Ų50.93%0.03327%0.268CS..THydrogen-bonded Turntrans-59.1-22.7-177.800000113.6T45 L46 N143T45-A209 HydrophobicContact CG2-CB 4.08Å; L46-A209 HydrophobicContact CB-CB 3.91Å; L46-A209 HydrophobicContact CD1-CB 4.26Å; N143-A209 PolarHBondContact OD1-N 2.83Å
210T89.4Confident93.8Very high71 Ų7146.6 Ų46.644%0.43625%0.252SS..THydrogen-bonded Turntrans-87.2-39.1177.448.30000112.6T45 P55 S208T45-T210 HydrophobicContact CG2-CG2 4.29Å; P55-T210 HydrophobicContact CB-CG2 4.45Å; S208-T210 PolarHBondContact O-N 2.86Å; S208-T210 VanDerWaalsContact O-N 3.1Å; S208-T210 PolarHBondContact OG-OG1 2.71Å; S208-T210 VanDerWaalsContact OG-OG1 3.09Å
211N87.4Confident93.6Very high127 Ų12748.7 Ų48.768%0.67927%0.265SS*.THydrogen-bonded Turntrans-110.7-37.5-169.1-65.8-21.4000114.5S208S208-N211 PolarHBondContact O-N 2.88Å; S208-N211 PolarHBondContact OG-N 2.76Å
212N87.8Confident93.3Very high92 Ų9252.2 Ų52.249%0.49228%0.276SS..BIsolated β-bridgetrans-153.497.3-174.3-174.45.9000112.3S208 S214S208-N212 PolarHBondContact N-O 3.21Å; S208-N212 CarbonylContact O-C 3.42Å; S208-N212 WeakPolarHBondContact O-CA 3.44Å; S208-N212 PolarHBondContact O-N 3.02Å; S208-N212 VanDerWaalsContact O-O 3.12Å; N212-S214 WeakPolarHBondContact OD1-CB 3.27Å; N212-S214 PolarHBondContact OD1-N 3.13Å; N212-S214 PolarHBondContact OD1-OG 2.95Å
213A89.5Confident92.9Very high15 Ų1552.5 Ų52.512%0.12428%0.277CS..  trans-10511.9173.200000113.3L46 A215 I216 H217L46-A213 HydrophobicContact CD1-CB 3.83Å; A213-A215 VanDerWaalsContact C-N 3.28Å; A213-A215 PolarHBondContact O-N 3.05Å; A213-I216 PolarHBondContact O-N 3.15Å; A213-I216 VanDerWaalsContact O-N 3.13Å; A213-H217 PolarHBondContact O-N 2.89Å
214S90.8Very high92.7Very high56 Ų5651.5 Ų51.539%0.39227%0.271SS..Hα-helixtrans-62.8-31.5-172.265.40000113.8N212 I216 H217 K218N212-S214 WeakPolarHBondContact OD1-CB 3.27Å; N212-S214 PolarHBondContact OD1-N 3.13Å; N212-S214 PolarHBondContact OD1-OG 2.95Å; S214-I216 VanDerWaalsContact C-N 3.29Å; S214-I216 PolarHBondContact O-N 3.16Å; S214-H217 PolarHBondContact O-N 3.19Å; S214-K218 WeakPolarHBondContact O-CG 3.37Å; S214-K218 PolarHBondContact O-N 3.34Å
215A93.9Very high92.4Very high29 Ų2951.9 Ų51.924%0.2428%0.276CS..Hα-helixtrans-61.1-38.517700000111.9V205 I207 A213 K218 W219V205-A215 HydrophobicContact CB-CB 4.18Å; V205-A215 HydrophobicContact CG1-CB 4.24Å; I207-A215 HydrophobicContact CG2-CB 4.01Å; A213-A215 VanDerWaalsContact C-N 3.28Å; A213-A215 PolarHBondContact O-N 3.05Å; A215-K218 PolarHBondContact O-N 3.47Å; A215-W219 PolarHBondContact O-N 3.18Å
216I93.3Very high92.1Very high0 Ų053.3 Ų53.30%028%0.282CS..Hα-helixtrans-69.7-42.2176.7-69.7179.2000110.4L46 I50 V103 L139 A141 V205 I207 A213 S214 K218 W219 L220L46-I216 HydrophobicContact CD1-CD1 3.88Å; L46-I216 HydrophobicContact CD2-CD1 3.49Å; L46-I216 VanDerWaalsContact CD2-CD1 3.49Å; L46-I216 HydrophobicContact CG-CD1 4.21Å; I50-I216 HydrophobicContact CD1-CB 4.44Å; I50-I216 HydrophobicContact CD1-CG2 3.65Å; V103-I216 HydrophobicContact CG1-CD1 4.21Å; L139-I216 HydrophobicContact CD2-CG1 3.84Å; A141-I216 HydrophobicContact CB-CD1 3.88Å; V205-I216 HydrophobicContact CG2-CG1 4.21Å; I207-I216 HydrophobicContact CD1-CD1 3.56Å; I207-I216 HydrophobicContact CG1-CD1 4.12Å; I207-I216 HydrophobicContact CG2-CD1 4.1Å; I207-I216 HydrophobicContact CG2-CG1 3.95Å; A213-I216 PolarHBondContact O-N 3.15Å; A213-I216 VanDerWaalsContact O-N 3.13Å; S214-I216 VanDerWaalsContact C-N 3.29Å; S214-I216 PolarHBondContact O-N 3.16Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 2.94Å; I216-W219 PolarHBondContact O-N 3.17Å; I216-W219 VanDerWaalsContact O-N 3.14Å; I216-L220 HydrophobicContact CG2-CD1 3.98Å; I216-L220 HydrophobicContact CG2-CG 4.11Å; I216-L220 VanDerWaalsContact O-CG 3.29Å; I216-L220 WeakPolarHBondContact O-CG 3.25Å; I216-L220 PolarHBondContact O-N 3.25Å
217H90.6Very high91.8Very high90 Ų9050.6 Ų50.642%0.41727%0.271SS..Hα-helixtrans-58.4-45.1175.3-169.9-75.1000111.6A213 S214 W219 L220 V221A213-H217 PolarHBondContact O-N 2.89Å; S214-H217 PolarHBondContact O-N 3.19Å; H217-W219 VanDerWaalsContact C-N 3.31Å; H217-W219 PolarHBondContact O-N 3.43Å; H217-L220 PolarHBondContact O-N 3.33Å; H217-V221 VanDerWaalsContact O-CG2 3.26Å; H217-V221 WeakPolarHBondContact O-CG2 3.49Å; H217-V221 PolarHBondContact O-N 3.15Å; H217-V221 VanDerWaalsContact O-N 3.1Å
218K93.3Very high91.5Very high141 Ų14153.6 Ų53.661%0.61329%0.287SS*.Hα-helixtrans-59.9-41175.5-71.8177.7-177.7177.60112.2S214 A215 I216 V221 Q222S214-K218 WeakPolarHBondContact O-CG 3.37Å; S214-K218 PolarHBondContact O-N 3.34Å; A215-K218 PolarHBondContact O-N 3.47Å; I216-K218 VanDerWaalsContact C-N 3.32Å; I216-K218 PolarHBondContact O-N 2.94Å; K218-V221 PolarHBondContact O-N 3.24Å; K218-Q222 WeakPolarHBondContact O-CG 3.18Å; K218-Q222 PolarHBondContact O-N 3.43Å
219W95.3Very high91.2Very high14 Ų1456.7 Ų56.75%0.05330%0.303CS..Hα-helixtrans-68-40.3176.7-174.183.9000112.5A101 V103 K137 L139 D203 A215 I216 H217 V221 Q222 L223A101-W219 HydrophobicContact CB-CH2 3.76Å; A101-W219 HydrophobicContact CB-CZ3 4.1Å; V103-W219 HydrophobicContact CG2-CZ3 3.91Å; K137-W219 HydrophobicContact CB-CH2 4.24Å; K137-W219 HydrophobicContact CB-CZ2 3.86Å; L139-W219 HydrophobicContact CB-CD2 3.94Å; L139-W219 HydrophobicContact CB-CE3 4Å; L139-W219 HydrophobicContact CB-CH2 3.55Å; L139-W219 HydrophobicContact CB-CZ2 3.57Å; L139-W219 HydrophobicContact CB-CZ3 3.81Å; L139-W219 HydrophobicContact CD1-CD2 4.17Å; L139-W219 HydrophobicContact CD1-CG 4.06Å; L139-W219 HydrophobicContact CD2-CB 4.15Å; L139-W219 HydrophobicContact CD2-CD2 3.69Å; L139-W219 HydrophobicContact CD2-CE3 3.68Å; L139-W219 HydrophobicContact CD2-CG 3.9Å; L139-W219 HydrophobicContact CD2-CZ3 4.21Å; L139-W219 HydrophobicContact CG-CD2 4.16Å; L139-W219 HydrophobicContact CG-CE3 4.39Å; L139-W219 HydrophobicContact CG-CG 4.46Å; D203-W219 PolarHBondContact OD2-NE1 3.37Å; A215-W219 PolarHBondContact O-N 3.18Å; I216-W219 PolarHBondContact O-N 3.17Å; I216-W219 VanDerWaalsContact O-N 3.14Å; H217-W219 VanDerWaalsContact C-N 3.31Å; H217-W219 PolarHBondContact O-N 3.43Å; W219-V221 VanDerWaalsContact C-N 3.29Å; W219-V221 PolarHBondContact O-N 3.29Å; W219-Q222 WeakPolarHBondContact O-CB 3.4Å; W219-Q222 PolarHBondContact O-N 3.12Å; W219-L223 HydrophobicContact CD2-CD2 4.43Å; W219-L223 HydrophobicContact CE3-CD2 4.17Å; W219-L223 HydrophobicContact CE3-CG 4.37Å; W219-L223 HydrophobicContact CH2-CD2 3.75Å; W219-L223 HydrophobicContact CZ2-CD2 3.94Å; W219-L223 HydrophobicContact CZ3-CD1 4.18Å; W219-L223 HydrophobicContact CZ3-CD2 3.83Å; W219-L223 HydrophobicContact CZ3-CG 4.29Å; W219-L223 PolarHBondContact O-N 3.03Å
220L93.6Very high91.2Very high0 Ų060.5 Ų60.50%032%0.323CS..Hα-helixtrans-61.4-35.5176.4-70.4176000112.4V33 I50 L69 I71 L76 I216 H217 Q222 L223V33-L220 HydrophobicContact CG1-CD2 3.97Å; V33-L220 HydrophobicContact CG2-CD2 4.31Å; I50-L220 HydrophobicContact CG2-CD1 4.4Å; L69-L220 HydrophobicContact CD2-CD1 3.96Å; I71-L220 HydrophobicContact CD1-CB 3.72Å; I71-L220 HydrophobicContact CD1-CD1 4.37Å; L76-L220 HydrophobicContact CD1-CB 4.48Å; L76-L220 HydrophobicContact CD1-CD2 4.45Å; I216-L220 HydrophobicContact CG2-CD1 3.98Å; I216-L220 HydrophobicContact CG2-CG 4.11Å; I216-L220 VanDerWaalsContact O-CG 3.29Å; I216-L220 WeakPolarHBondContact O-CG 3.25Å; I216-L220 PolarHBondContact O-N 3.25Å; H217-L220 PolarHBondContact O-N 3.33Å; L220-Q222 VanDerWaalsContact C-N 3.27Å; L220-Q222 PolarHBondContact O-N 2.87Å; L220-L223 HydrophobicContact CD2-CD1 3.68Å; L220-L223 WeakPolarHBondContact O-CB 3.32Å; L220-L223 PolarHBondContact O-N 2.65Å
221V91.8Very high91.3Very high48 Ų4859.7 Ų59.729%0.29131%0.314SS..Hα-helixtrans-61.6-36.4174174.30000111.5I71 K74 H217 K218 W219 L223I71-V221 HydrophobicContact CG2-CB 4.15Å; I71-V221 HydrophobicContact CG2-CG2 3.47Å; I71-V221 VanDerWaalsContact CG2-CG2 3.47Å; K74-V221 PolarHBondContact NZ-O 2.86Å; H217-V221 VanDerWaalsContact O-CG2 3.26Å; H217-V221 WeakPolarHBondContact O-CG2 3.49Å; H217-V221 PolarHBondContact O-N 3.15Å; H217-V221 VanDerWaalsContact O-N 3.1Å; K218-V221 PolarHBondContact O-N 3.24Å; W219-V221 VanDerWaalsContact C-N 3.29Å; W219-V221 PolarHBondContact O-N 3.29Å; V221-L223 VanDerWaalsContact C-N 3.3Å; V221-L223 PolarHBondContact O-N 3.05Å
222Q91.4Very high91.7Very high134 Ų13454.1 Ų54.163%0.62628%0.284SS*.THydrogen-bonded Turntrans-78.8-6.8-178.2-65.1174.5-0.700114.2K137 K218 W219 L220K137-Q222 PolarHBondContact NZ-O 3.07Å; K218-Q222 WeakPolarHBondContact O-CG 3.18Å; K218-Q222 PolarHBondContact O-N 3.43Å; W219-Q222 WeakPolarHBondContact O-CB 3.4Å; W219-Q222 PolarHBondContact O-N 3.12Å; L220-Q222 VanDerWaalsContact C-N 3.27Å; L220-Q222 PolarHBondContact O-N 2.87Å
223L88.7Confident92Very high30 Ų3050.6 Ų50.616%0.15727%0.265CS..  trans-61.50-178.5-74.1-175.9000112.7V33 K74 L76 L100 A101 K137 W219 L220 V221V33-L223 HydrophobicContact CG2-CD1 3.76Å; K74-L223 WeakPolarHBondContact CE-OXT 3.33Å; K74-L223 PolarHBondContact NZ-OXT 3.41Å; L76-L223 HydrophobicContact CD1-CD1 4.2Å; L100-L223 HydrophobicContact CD2-CB 4.21Å; L100-L223 HydrophobicContact CD2-CD1 4.34Å; A101-L223 HydrophobicContact CB-CD1 3.73Å; A101-L223 HydrophobicContact CB-CD2 3.64Å; A101-L223 HydrophobicContact CB-CG 4.37Å; K137-L223 HydrophobicContact CB-CD2 4.16Å; K137-L223 HydrophobicContact CD-CD2 3.6Å; K137-L223 HydrophobicContact CG-CD2 4.43Å; K137-L223 PolarHBondContact NZ-O 2.65Å; W219-L223 HydrophobicContact CD2-CD2 4.43Å; W219-L223 HydrophobicContact CE3-CD2 4.17Å; W219-L223 HydrophobicContact CE3-CG 4.37Å; W219-L223 HydrophobicContact CH2-CD2 3.75Å; W219-L223 HydrophobicContact CZ2-CD2 3.94Å; W219-L223 HydrophobicContact CZ3-CD1 4.18Å; W219-L223 HydrophobicContact CZ3-CD2 3.83Å; W219-L223 HydrophobicContact CZ3-CG 4.29Å; W219-L223 PolarHBondContact O-N 3.03Å; L220-L223 HydrophobicContact CD2-CD1 3.68Å; L220-L223 WeakPolarHBondContact O-CB 3.32Å; L220-L223 PolarHBondContact O-N 2.65Å; V221-L223 VanDerWaalsContact C-N 3.3Å; V221-L223 PolarHBondContact O-N 3.05Å

Retrieved 223 of 223 residues in 66.3 ms (Link to these results)

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