A0A087XA66_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087XA66, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 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
1M31.6Very low47.2Very low226 Ų226124.5 Ų124.5100%1.11364%0.643SS**  0141.60-67.3174-17900106.8Q3M1-Q3 PolarHBondContact O-N 3.05Å; M1-Q3 VanDerWaalsContact O-N 3.16Å
2A29.7Very low48.9Very low88 Ų88121.2 Ų121.273%0.72764%0.639SS**  trans-61.4119.3-169.500000111.3H4A2-H4 PolarHBondContact O-N 3.09Å
3Q30.7Very low50.8Low176 Ų176113.8 Ų113.882%0.82260%0.6SS**  trans-68105.2150.7-72.2167.3-40.100105M1 I5M1-Q3 PolarHBondContact O-N 3.05Å; M1-Q3 VanDerWaalsContact O-N 3.16Å; Q3-I5 PolarHBondContact O-N 3.25Å
4H31Very low52.8Low179 Ų179109.4 Ų109.483%0.82959%0.588SS**  trans-65.391.1153.6-81.6-90.6000105.6A2 E6A2-H4 PolarHBondContact O-N 3.09Å; H4-E6 PolarHBondContact O-N 3.12Å
5I37.3Very low54.6Low133 Ų133109.1 Ų109.168%0.68260%0.596SS**  trans-51.1127.3157.2-62.7173.8000104.4Q3 E7Q3-I5 PolarHBondContact O-N 3.25Å; I5-E7 VanDerWaalsContact C-N 3.33Å; I5-E7 PolarHBondContact O-N 3.18Å
6E46.7Very low56.5Low124 Ų124105.3 Ų105.358%0.57957%0.574SS**  trans-62.4101.3174.5179.2158.9-140.500107.2H4 D8 R24H4-E6 PolarHBondContact O-N 3.12Å; E6-D8 PolarHBondContact O-N 3.19Å; E6-R24 IonicContact OE1-CZ 2.71Å; E6-R24 IonicContact OE1-NH1 3.86Å; E6-R24 PolarHBondContact OE1-NH1 3.18Å; E6-R24 IonicContact OE1-NH2 2.76Å; E6-R24 PolarHBondContact OE1-NH2 3.3Å
7E52.1Low58.3Low117 Ų117102.8 Ų102.855%0.54756%0.557SS.*  trans-70.677.9178.9-75.5-164.8175.600109I5 L9 R88I5-E7 VanDerWaalsContact C-N 3.33Å; I5-E7 PolarHBondContact O-N 3.18Å; E7-L9 PolarHBondContact O-N 2.71Å; E7-R88 PolarHBondContact O-NH2 3.39Å
8D62.7Low60Low111 Ų111105.1 Ų105.159%0.59457%0.565SS**PPolyproline II helixtrans-49.1121.6173-160.915000108.3E6 K17E6-D8 PolarHBondContact O-N 3.19Å; D8-K17 WeakPolarHBondContact OD1-CE 2.99Å; D8-K17 IonicContact OD1-NZ 2.94Å; D8-K17 PolarHBondContact OD1-NZ 2.65Å; D8-K17 IonicContact OD2-NZ 3.89Å; D8-K17 PolarHBondContact OD2-NZ 3.46Å
9L64.1Low61.6Low7 Ų7102.8 Ų102.84%0.03756%0.555CS.*PPolyproline II helixtrans-53.5132.1-170.5-86.669.7000109.3E7 L13 L16 K17E7-L9 PolarHBondContact O-N 2.71Å; L9-L13 HydrophobicContact CB-CB 4.31Å; L9-L13 HydrophobicContact CD2-CB 4.28Å; L9-L16 HydrophobicContact CD2-CB 3.62Å; L9-L16 HydrophobicContact CD2-CD1 4.29Å; L9-K17 HydrophobicContact CB-CG 4.45Å; L9-K17 WeakPolarHBondContact O-CE 3.37Å
10P68.2Low63.1Low44 Ų4498.2 Ų98.229%0.28653%0.53SS..PPolyproline II helixtrans-55.7150.8-175.722.9-34000110.1S12 L13 L92P10-S12 PolarHBondContact O-N 2.57Å; P10-L13 HydrophobicContact CG-CD1 4.04Å; P10-L13 HydrophobicContact CG-CG 4.4Å; P10-L13 WeakPolarHBondContact O-CA 3.4Å; P10-L13 PolarHBondContact O-N 3.34Å; P10-L92 HydrophobicContact CG-CD2 4.44Å
11L65.2Low64.5Low164 Ų16498.2 Ų98.286%0.85953%0.534SS*.G310 helixtrans-54.4-26.3-170.7-75.1150.6000114L13 A14L11-L13 PolarHBondContact O-N 3.01Å; L11-A14 WeakPolarHBondContact O-CB 3.35Å; L11-A14 PolarHBondContact O-N 3.02Å
12S67.8Low67.4Low85 Ų8593.9 Ų93.959%0.59451%0.514SS*.G310 helixtrans-62.1-23.3171.749.40000114.8P10P10-S12 PolarHBondContact O-N 2.57Å
13L73.6Confident70.6Confident26 Ų2690.2 Ų90.214%0.13648%0.483CS..G310 helixtrans-110.819.5-178.6-62.7175.8000112.6L9 P10 L11 C15 L16 L91L9-L13 HydrophobicContact CB-CB 4.31Å; L9-L13 HydrophobicContact CD2-CB 4.28Å; P10-L13 HydrophobicContact CG-CD1 4.04Å; P10-L13 HydrophobicContact CG-CG 4.4Å; P10-L13 WeakPolarHBondContact O-CA 3.4Å; P10-L13 PolarHBondContact O-N 3.34Å; L11-L13 PolarHBondContact O-N 3.01Å; L13-C15 PolarHBondContact O-N 3.34Å; L13-L16 HydrophobicContact CB-CD1 4.46Å; L13-L16 HydrophobicContact CD2-CD1 4.25Å; L13-L16 WeakPolarHBondContact O-CB 3.19Å; L13-L16 PolarHBondContact O-N 2.9Å; L13-L91 HydrophobicContact CD1-CB 3.97Å; L13-L91 HydrophobicContact CD1-CD1 4.28Å; L13-L91 HydrophobicContact CD2-CD1 4.4Å
14A78.9Confident73.7Confident52 Ų5284.2 Ų84.243%0.4345%0.452SS..G310 helixtrans-54.2-29.6-178.600000114L11 L16 K17L11-A14 WeakPolarHBondContact O-CB 3.35Å; L11-A14 PolarHBondContact O-N 3.02Å; A14-L16 PolarHBondContact O-N 2.8Å; A14-K17 WeakPolarHBondContact O-CB 3.11Å; A14-K17 PolarHBondContact O-N 3.24Å; A14-K17 VanDerWaalsContact O-N 3.15Å
15C80.1Confident76.9Confident104 Ų10475.7 Ų75.770%0.70341%0.413SS*.G310 helixtrans-60.4-26.5174.456.60000114L13L13-C15 PolarHBondContact O-N 3.34Å
16L84.8Confident79.7Confident48 Ų4872.4 Ų72.425%0.25140%0.401SS..G310 helixtrans-83.6-12.2178-62.5-178.7000113.3L9 L13 A14 M18 V19 D20 L91L9-L16 HydrophobicContact CD2-CB 3.62Å; L9-L16 HydrophobicContact CD2-CD1 4.29Å; L13-L16 HydrophobicContact CB-CD1 4.46Å; L13-L16 HydrophobicContact CD2-CD1 4.25Å; L13-L16 WeakPolarHBondContact O-CB 3.19Å; L13-L16 PolarHBondContact O-N 2.9Å; A14-L16 PolarHBondContact O-N 2.8Å; L16-M18 PolarHBondContact O-N 3.25Å; L16-V19 WeakPolarHBondContact O-CA 3.42Å; L16-V19 WeakPolarHBondContact O-CB 3.42Å; L16-V19 PolarHBondContact O-N 3.32Å; L16-D20 PolarHBondContact O-N 3.15Å; L16-L91 HydrophobicContact CD1-CD1 3.87Å
17K86.8Confident82.1Confident63 Ų6369 Ų6927%0.27439%0.386SS..Hα-helixtrans-61-31.2-178.7-68.6-163.4179.7-157.20113.2D8 L9 A14 T21D8-K17 WeakPolarHBondContact OD1-CE 2.99Å; D8-K17 IonicContact OD1-NZ 2.94Å; D8-K17 PolarHBondContact OD1-NZ 2.65Å; D8-K17 IonicContact OD2-NZ 3.89Å; D8-K17 PolarHBondContact OD2-NZ 3.46Å; L9-K17 HydrophobicContact CB-CG 4.45Å; L9-K17 WeakPolarHBondContact O-CE 3.37Å; A14-K17 WeakPolarHBondContact O-CB 3.11Å; A14-K17 PolarHBondContact O-N 3.24Å; A14-K17 VanDerWaalsContact O-N 3.15Å; K17-T21 WeakPolarHBondContact O-CB 3.38Å; K17-T21 PolarHBondContact O-N 2.87Å; K17-T21 PolarHBondContact O-OG1 2.94Å
18M88.1Confident84.2Confident145 Ų14566 Ų6671%0.71438%0.377SS*.Hα-helixtrans-68.2-35.7172.7-66-155.977.200112.5L16 L22L16-M18 PolarHBondContact O-N 3.25Å; M18-L22 WeakPolarHBondContact O-CB 3.17Å; M18-L22 VanDerWaalsContact O-CG 3.25Å; M18-L22 WeakPolarHBondContact O-CG 3.46Å; M18-L22 PolarHBondContact O-N 3.1Å
19V91.3Very high85.7Confident62 Ų6267.9 Ų67.938%0.37638%0.38SS..Hα-helixtrans-70.4-45176.2-175.60000110.3L16 T21 L22 L23 F84L16-V19 WeakPolarHBondContact O-CA 3.42Å; L16-V19 WeakPolarHBondContact O-CB 3.42Å; L16-V19 PolarHBondContact O-N 3.32Å; V19-T21 VanDerWaalsContact C-N 3.27Å; V19-T21 PolarHBondContact O-N 3.4Å; V19-L22 PolarHBondContact O-N 3.35Å; V19-L23 HydrophobicContact CG1-CD1 3.93Å; V19-L23 HydrophobicContact CG1-CG 4.45Å; V19-L23 WeakPolarHBondContact O-CG 3.31Å; V19-L23 PolarHBondContact O-N 3.5Å; V19-L23 VanDerWaalsContact O-N 3.09Å; V19-F84 HydrophobicContact CB-CE2 4Å; V19-F84 HydrophobicContact CB-CZ 4.5Å; V19-F84 HydrophobicContact CG1-CD2 3.77Å; V19-F84 HydrophobicContact CG1-CE2 3.7Å; V19-F84 HydrophobicContact CG1-CZ 4.42Å
20D91.3Very high87.2Confident10 Ų1072.4 Ų72.45%0.05341%0.405CS..Hα-helixtrans-55.8-42.7174.5-164.790.7000111.3L16 L23 R24 F84 R88L16-D20 PolarHBondContact O-N 3.15Å; D20-L23 PolarHBondContact O-N 3.29Å; D20-R24 WeakPolarHBondContact O-CD 3.31Å; D20-R24 VanDerWaalsContact O-CG 3.3Å; D20-R24 WeakPolarHBondContact O-CG 3.3Å; D20-R24 IonicContact OD2-CZ 3.2Å; D20-R24 IonicContact OD2-NE 2.77Å; D20-R24 PolarHBondContact OD2-NE 3.27Å; D20-R24 IonicContact OD2-NH2 2.64Å; D20-R24 PolarHBondContact OD2-NH2 3.06Å; D20-F84 HydrophobicContact CB-CE1 3.98Å; D20-F84 HydrophobicContact CB-CZ 3.86Å; D20-F84 WeakPolarHBondContact OD1-CE1 3.29Å; D20-R88 IonicContact OD1-CZ 2.63Å; D20-R88 IonicContact OD1-NH1 3.83Å; D20-R88 PolarHBondContact OD1-NH1 3.01Å; D20-R88 IonicContact OD2-NH1 3.57Å
21T92.2Very high88.6Confident99 Ų9971.5 Ų71.561%0.60740%0.396SS*.Hα-helixtrans-67.8-40.7177.6-58.70000112.9K17 V19 L23 R24K17-T21 WeakPolarHBondContact O-CB 3.38Å; K17-T21 PolarHBondContact O-N 2.87Å; K17-T21 PolarHBondContact O-OG1 2.94Å; V19-T21 VanDerWaalsContact C-N 3.27Å; V19-T21 PolarHBondContact O-N 3.4Å; T21-L23 VanDerWaalsContact C-N 3.28Å; T21-L23 PolarHBondContact O-N 3.14Å; T21-R24 PolarHBondContact O-N 2.89Å
22L93.8Very high90.1Very high134 Ų13464 Ų6470%0.70236%0.357SS*.Hα-helixtrans-70.9-21.6179.1-74.1169.1000113.6M18 V19M18-L22 WeakPolarHBondContact O-CB 3.17Å; M18-L22 VanDerWaalsContact O-CG 3.25Å; M18-L22 WeakPolarHBondContact O-CG 3.46Å; M18-L22 PolarHBondContact O-N 3.1Å; V19-L22 PolarHBondContact O-N 3.35Å
23L95.8Very high91.4Very high12 Ų1265.2 Ų65.26%0.06336%0.357CS..THydrogen-bonded Turntrans-92.35.7178.3-66.7176.7000113.6V19 D20 T21 F31 L32 L77 L80 V81 F84V19-L23 HydrophobicContact CG1-CD1 3.93Å; V19-L23 HydrophobicContact CG1-CG 4.45Å; V19-L23 WeakPolarHBondContact O-CG 3.31Å; V19-L23 PolarHBondContact O-N 3.5Å; V19-L23 VanDerWaalsContact O-N 3.09Å; D20-L23 PolarHBondContact O-N 3.29Å; T21-L23 VanDerWaalsContact C-N 3.28Å; T21-L23 PolarHBondContact O-N 3.14Å; L23-F31 HydrophobicContact CB-CD1 4.1Å; L23-F31 HydrophobicContact CB-CE1 4.26Å; L23-F31 WeakPolarHBondContact O-CA 3.36Å; L23-L32 WeakPolarHBondContact O-CG 3.28Å; L23-L32 PolarHBondContact O-N 3.5Å; L23-L77 HydrophobicContact CD2-CD2 4.09Å; L23-L80 HydrophobicContact CD2-CB 4.11Å; L23-V81 HydrophobicContact CB-CG2 4.15Å; L23-V81 HydrophobicContact CD2-CG2 4.16Å; L23-F84 HydrophobicContact CD1-CB 3.53Å; L23-F84 HydrophobicContact CD1-CD1 3.75Å; L23-F84 HydrophobicContact CD1-CD2 4.12Å; L23-F84 HydrophobicContact CD1-CG 3.52Å
24R96.3Very high92.4Very high49 Ų4964.7 Ų64.719%0.18535%0.354CS..BIsolated β-bridgetrans-102.8152.2178.4-73.9164.1-179.9-115.223.3113E6 D20 T21 P26 F29 D30 F31E6-R24 IonicContact OE1-CZ 2.71Å; E6-R24 IonicContact OE1-NH1 3.86Å; E6-R24 PolarHBondContact OE1-NH1 3.18Å; E6-R24 IonicContact OE1-NH2 2.76Å; E6-R24 PolarHBondContact OE1-NH2 3.3Å; D20-R24 WeakPolarHBondContact O-CD 3.31Å; D20-R24 VanDerWaalsContact O-CG 3.3Å; D20-R24 WeakPolarHBondContact O-CG 3.3Å; D20-R24 IonicContact OD2-CZ 3.2Å; D20-R24 IonicContact OD2-NE 2.77Å; D20-R24 PolarHBondContact OD2-NE 3.27Å; D20-R24 IonicContact OD2-NH2 2.64Å; D20-R24 PolarHBondContact OD2-NH2 3.06Å; T21-R24 PolarHBondContact O-N 2.89Å; R24-P26 WeakPolarHBondContact O-CD 3.43Å; R24-F29 VanDerWaalsContact CD-O 3.25Å; R24-F29 WeakPolarHBondContact CD-O 3.44Å; R24-F29 WeakPolarHBondContact CG-O 3.41Å; R24-F29 PolarHBondContact NH1-O 3.36Å; R24-D30 WeakPolarHBondContact CA-O 3.48Å; R24-F31 HydrophobicContact CG-CD1 4.47Å
25C97.7Very high93.3Very high1 Ų162.2 Ų62.21%0.00733%0.333CS..  trans-83.2122.1179.2-178.80000111.3I27 C28 F29 D30 L32 C45C25-I27 PolarHBondContact O-N 3.42Å; C25-C28 WeakPolarHBondContact CB-SG 3.46Å; C25-C28 PolarHBondContact O-N 2.89Å; C25-F29 WeakPolarHBondContact O-CA 3.45Å; C25-F29 PolarHBondContact O-N 3.29Å; C25-D30 PolarHBondContact N-O 2.96Å; C25-L32 HydrophobicContact CB-CD2 3.85Å; C25-C45 WeakPolarHBondContact CB-SG 3.47Å; C25-C45 PolarHBondContact SG-N 3.45Å; C25-C45 VanDerWaalsContact SG-SG 3.66Å
26P96.4Very high94.1Very high64 Ų6457.4 Ų57.442%0.41630%0.301SS..THydrogen-bonded Turntrans-63.4-2.4178.9-23.333.5000116.2R24 F44 V61R24-P26 WeakPolarHBondContact O-CD 3.43Å; P26-F44 HydrophobicContact CB-CE1 4.1Å; P26-F44 HydrophobicContact CG-CD1 4.36Å; P26-F44 HydrophobicContact CG-CE1 4.06Å; P26-V61 HydrophobicContact CB-CG2 4.11Å; P26-V61 HydrophobicContact CG-CG2 4.26Å
27I96.3Very high94.7Very high52 Ų5258.4 Ų58.427%0.26731%0.305SS..THydrogen-bonded Turntrans-103.2-32.4179.7-59.2165.3000112C25 F44 C48 P60C25-I27 PolarHBondContact O-N 3.42Å; I27-F44 HydrophobicContact CD1-CB 4.23Å; I27-F44 HydrophobicContact CD1-CD1 3.44Å; I27-F44 VanDerWaalsContact CD1-CD1 3.44Å; I27-F44 HydrophobicContact CD1-CE1 4.02Å; I27-F44 HydrophobicContact CD1-CG 4.01Å; I27-F44 HydrophobicContact CG1-CD1 3.73Å; I27-F44 HydrophobicContact CG1-CE1 4.06Å; I27-C48 HydrophobicContact CB-CB 3.91Å; I27-C48 HydrophobicContact CD1-CB 3.73Å; I27-C48 HydrophobicContact CG1-CB 4.44Å; I27-C48 HydrophobicContact CG2-CB 3.86Å; I27-P60 HydrophobicContact CD1-CG 4.06Å; I27-P60 HydrophobicContact CG1-CG 4.32Å
28C96.2Very high95.1Very high55 Ų5555.6 Ų55.637%0.37229%0.293SS..THydrogen-bonded Turntrans-124.4-3.5-176.662.60000114.6C25 D30 C48C25-C28 WeakPolarHBondContact CB-SG 3.46Å; C25-C28 PolarHBondContact O-N 2.89Å; C28-D30 PolarHBondContact O-N 3.01Å; C28-C48 VanDerWaalsContact SG-SG 3.67Å
29F95.3Very high95.5Very high149 Ų14954.3 Ų54.365%0.65428%0.284SS*.SBendtrans60.4-12.3177.8-52.2-76.3000116.6R24 C25R24-F29 VanDerWaalsContact CD-O 3.25Å; R24-F29 WeakPolarHBondContact CD-O 3.44Å; R24-F29 WeakPolarHBondContact CG-O 3.41Å; R24-F29 PolarHBondContact NH1-O 3.36Å; C25-F29 WeakPolarHBondContact O-CA 3.45Å; C25-F29 PolarHBondContact O-N 3.29Å
30D95.9Very high95.7Very high103 Ų10353 Ų5355%0.55128%0.277SS*.SBendtrans-70.9167.8163.5-159.9-1.9000111.8R24 C25 C28R24-D30 WeakPolarHBondContact CA-O 3.48Å; C25-D30 PolarHBondContact N-O 2.96Å; C28-D30 PolarHBondContact O-N 3.01Å
31F96.3Very high95.9Very high24 Ų2456.7 Ų56.711%0.10530%0.303CS..BIsolated β-bridgetrans-57149.7177-74.3-77.5000113L23 R24 N33 V81 F84 Q85L23-F31 HydrophobicContact CB-CD1 4.1Å; L23-F31 HydrophobicContact CB-CE1 4.26Å; L23-F31 WeakPolarHBondContact O-CA 3.36Å; R24-F31 HydrophobicContact CG-CD1 4.47Å; F31-N33 PolarHBondContact O-N 2.85Å; F31-V81 HydrophobicContact CB-CG1 3.9Å; F31-V81 HydrophobicContact CD1-CG1 4.21Å; F31-V81 HydrophobicContact CG-CG1 4.28Å; F31-F84 AromaticContact CE1-CD1 3.8Å; F31-F84 HydrophobicContact CE1-CD1 3.8Å; F31-F84 AromaticContact CE1-CE1 3.94Å; F31-F84 HydrophobicContact CE1-CE1 3.94Å; F31-F84 HydrophobicContact CZ-CD1 4.17Å; F31-F84 HydrophobicContact CZ-CE1 4.06Å; F31-Q85 HydrophobicContact CD2-CG 4.29Å; F31-Q85 HydrophobicContact CE1-CG 4.44Å; F31-Q85 HydrophobicContact CE2-CG 4.15Å; F31-Q85 HydrophobicContact CG-CG 4.48Å; F31-Q85 VanDerWaalsContact CG-NE2 3.25Å; F31-Q85 HydrophobicContact CZ-CG 4.23Å
32L96.9Very high96.2Very high7 Ų754.8 Ų54.84%0.03729%0.287CS..PPolyproline II helixtrans-63126.1177.2-67.8163.7000110.9L23 C25 T35 N43 L77 V81L23-L32 WeakPolarHBondContact O-CG 3.28Å; L23-L32 PolarHBondContact O-N 3.5Å; C25-L32 HydrophobicContact CB-CD2 3.85Å; L32-T35 HydrophobicContact CB-CG2 4.28Å; L32-T35 WeakPolarHBondContact CB-OG1 3.42Å; L32-T35 HydrophobicContact CD1-CG2 4.12Å; L32-T35 HydrophobicContact CD2-CG2 4.3Å; L32-T35 HydrophobicContact CG-CG2 4.48Å; L32-N43 HydrophobicContact CD1-CB 4.32Å; L32-L77 HydrophobicContact CD1-CD1 4.12Å; L32-V81 HydrophobicContact CB-CG2 4.1Å
33N95.1Very high96.4Very high110 Ų11050.1 Ų50.159%0.58826%0.263SS*.SBendtrans-130.2118.9-176.8-178.58.2000109.8F31 C45 S46F31-N33 PolarHBondContact O-N 2.85Å; N33-C45 PolarHBondContact N-SG 3.34Å; N33-C45 VanDerWaalsContact O-CA 3.24Å; N33-C45 WeakPolarHBondContact O-CA 3.31Å; N33-C45 VanDerWaalsContact O-CB 3.24Å; N33-C45 WeakPolarHBondContact O-CB 3.36Å; N33-S46 PolarHBondContact O-N 3.4Å
34I95.4Very high96.5Very high15 Ų1549.5 Ų49.58%0.07726%0.26CS..SBendtrans52.870.3-168.4-48.6170.5000109.4M36 S46 S310 D313I34-M36 PolarHBondContact O-N 3.32Å; I34-S46 VanDerWaalsContact O-CB 3.28Å; I34-S46 WeakPolarHBondContact O-CB 3.35Å; I34-S46 PolarHBondContact O-N 3.34Å; I34-S310 WeakPolarHBondContact CD1-O 3.38Å; I34-D313 HydrophobicContact CG2-CB 3.57Å; I34-D313 WeakPolarHBondContact CG2-O 3.46Å
35T97.1Very high96.6Very high0 Ų047.6 Ų47.60%025%0.254CS..EExtended strand (participates in β ladder)trans-70.2124.1-165.5-500000111.4L32 N43 N73 N74 L77 D78L32-T35 HydrophobicContact CB-CG2 4.28Å; L32-T35 WeakPolarHBondContact CB-OG1 3.42Å; L32-T35 HydrophobicContact CD1-CG2 4.12Å; L32-T35 HydrophobicContact CD2-CG2 4.3Å; L32-T35 HydrophobicContact CG-CG2 4.48Å; T35-N43 HydrophobicContact CG2-CB 3.97Å; T35-N73 CarbonylContact O-C 3.53Å; T35-N73 WeakPolarHBondContact O-CA 3.49Å; T35-N74 HydrophobicContact CG2-CB 4.12Å; T35-N74 PolarHBondContact O-N 3.45Å; T35-L77 HydrophobicContact CG2-CB 3.88Å; T35-L77 HydrophobicContact CG2-CD1 3.87Å; T35-D78 WeakPolarHBondContact CB-OD1 3.38Å; T35-D78 PolarHBondContact N-OD1 2.78Å; T35-D78 PolarHBondContact OG1-OD1 3.1Å
36M96.7Very high96.5Very high3 Ų347.5 Ų47.52%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-109.8120.7172.6-54.3-55.8-77.400109.7I34 N43 F44 I49 L71 R72 N73 D313I34-M36 PolarHBondContact O-N 3.32Å; M36-N43 WeakPolarHBondContact O-CA 3.47Å; M36-F44 PolarHBondContact N-O 3.49Å; M36-F44 PolarHBondContact O-N 2.92Å; M36-I49 HydrophobicContact CB-CG2 4.08Å; M36-I49 HydrophobicContact CG-CG2 4.33Å; M36-L71 HydrophobicContact CB-CD2 4.37Å; M36-L71 HydrophobicContact CE-CB 3.75Å; M36-R72 CarbonylContact C-O 3.6Å; M36-R72 WeakPolarHBondContact CA-O 3.46Å; M36-N73 HydrophobicContact SD-CB 4.43Å; M36-N73 PolarHBondContact SD-ND2 3.43Å; M36-D313 HydrophobicContact SD-CB 4.11Å
37M97Very high96.5Very high69 Ų6947.6 Ų47.634%0.3425%0.25SC..EExtended strand (participates in β ladder)trans-84.2139.1167-173.2171.866.100109.6N43 R72 N74M37-N43 WeakPolarHBondContact CB-OD1 3.43Å; M37-R72 PolarHBondContact N-O 3.28Å; M37-R72 PolarHBondContact O-N 3.2Å; M37-N74 HydrophobicContact CB-CB 4.13Å
38T96.5Very high96.6Very high4 Ų446.3 Ų46.33%0.02525%0.245CC..  trans-94162.5173.162.80000110.7C40 S41 H42 F44 M66 L71T38-C40 PolarHBondContact O-N 3.14Å; T38-C40 PolarHBondContact OG1-SG 3.2Å; T38-S41 PolarHBondContact O-N 3.3Å; T38-H42 PolarHBondContact N-O 2.9Å; T38-H42 PolarHBondContact OG1-N 3.03Å; T38-H42 PolarHBondContact OG1-O 2.73Å; T38-F44 HydrophobicContact CG2-CD2 3.89Å; T38-F44 HydrophobicContact CG2-CE2 3.73Å; T38-M66 HydrophobicContact CG2-CE 3.48Å; T38-M66 VanDerWaalsContact CG2-CE 3.48Å; T38-M66 HydrophobicContact CG2-SD 3.7Å; T38-L71 HydrophobicContact CG2-CD2 4.06Å
39K95.3Very high96.7Very high119 Ų11943.7 Ų43.752%0.51723%0.227SC..THydrogen-bonded Turntrans-60.6-10.9175.471.5-177.8172-158.40115.6Q65 D70K39-Q65 WeakPolarHBondContact CE-O 3.25Å; K39-Q65 PolarHBondContact NZ-O 3.3Å; K39-D70 HydrophobicContact CD-CB 4.43Å; K39-D70 WeakPolarHBondContact CD-OD1 3.49Å; K39-D70 IonicContact NZ-OD1 3.2Å; K39-D70 PolarHBondContact NZ-OD1 3.27Å; K39-D70 VanDerWaalsContact NZ-OD1 3.14Å; K39-D70 IonicContact NZ-OD2 2.7Å
40C96.4Very high96.7Very high35 Ų3537.5 Ų37.524%0.23620%0.2CC..THydrogen-bonded Turntrans-105.523.9173.1620000112.2T38 H42 C62T38-C40 PolarHBondContact O-N 3.14Å; T38-C40 PolarHBondContact OG1-SG 3.2Å; C40-H42 PolarHBondContact O-N 2.89Å; C40-H42 PolarHBondContact O-ND1 3.27Å; C40-H42 PolarHBondContact SG-ND1 3.4Å; C40-H42 VanDerWaalsContact SG-ND1 3.37Å; C40-C62 PolarHBondContact SG-SG 3.4Å
41S96.2Very high96.6Very high86 Ų8635.5 Ų35.560%0.60119%0.186SC*.SBendtrans60.93.2175.1-54.10000117.3T38 N43T38-S41 PolarHBondContact O-N 3.3Å; S41-N43 PolarHBondContact O-ND2 2.64Å
42H97.4Very high96.7Very high59 Ų5935.8 Ų35.827%0.27319%0.187SC..  trans-72.4141169.5-63.288.8000110.3T38 C40 F44 V61T38-H42 PolarHBondContact N-O 2.9Å; T38-H42 PolarHBondContact OG1-N 3.03Å; T38-H42 PolarHBondContact OG1-O 2.73Å; C40-H42 PolarHBondContact O-N 2.89Å; C40-H42 PolarHBondContact O-ND1 3.27Å; C40-H42 PolarHBondContact SG-ND1 3.4Å; C40-H42 VanDerWaalsContact SG-ND1 3.37Å; H42-F44 HydrophobicContact CB-CE2 3.69Å; H42-F44 HydrophobicContact CB-CZ 3.89Å; H42-V61 VanDerWaalsContact CD2-CG1 3.48Å; H42-V61 WeakPolarHBondContact CD2-CG1 3.17Å; H42-V61 WeakPolarHBondContact NE2-CG1 3.36Å
43N97.6Very high96.6Very high36 Ų3635.8 Ų35.819%0.19319%0.187CC..EExtended strand (participates in β ladder)trans-117.7141.1-174.2-60.2-84.1000110.9L32 T35 M36 M37 S41 N74 L77L32-N43 HydrophobicContact CD1-CB 4.32Å; T35-N43 HydrophobicContact CG2-CB 3.97Å; M36-N43 WeakPolarHBondContact O-CA 3.47Å; M37-N43 WeakPolarHBondContact CB-OD1 3.43Å; S41-N43 PolarHBondContact O-ND2 2.64Å; N43-N74 PolarHBondContact OD1-ND2 3.24Å; N43-L77 HydrophobicContact CB-CD1 3.75Å; N43-L77 WeakPolarHBondContact OD1-CD1 3.3Å
44F98.2Very high96.5Very high0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-148.1159.6-177.4-53.3-84.9000110.6P26 I27 M36 T38 H42 I49 P60 V61P26-F44 HydrophobicContact CB-CE1 4.1Å; P26-F44 HydrophobicContact CG-CD1 4.36Å; P26-F44 HydrophobicContact CG-CE1 4.06Å; I27-F44 HydrophobicContact CD1-CB 4.23Å; I27-F44 HydrophobicContact CD1-CD1 3.44Å; I27-F44 VanDerWaalsContact CD1-CD1 3.44Å; I27-F44 HydrophobicContact CD1-CE1 4.02Å; I27-F44 HydrophobicContact CD1-CG 4.01Å; I27-F44 HydrophobicContact CG1-CD1 3.73Å; I27-F44 HydrophobicContact CG1-CE1 4.06Å; M36-F44 PolarHBondContact N-O 3.49Å; M36-F44 PolarHBondContact O-N 2.92Å; T38-F44 HydrophobicContact CG2-CD2 3.89Å; T38-F44 HydrophobicContact CG2-CE2 3.73Å; H42-F44 HydrophobicContact CB-CE2 3.69Å; H42-F44 HydrophobicContact CB-CZ 3.89Å; F44-I49 HydrophobicContact CB-CB 3.86Å; F44-I49 HydrophobicContact CB-CG2 4.26Å; F44-I49 HydrophobicContact CD2-CB 4.27Å; F44-I49 HydrophobicContact CD2-CD1 3.95Å; F44-I49 HydrophobicContact CD2-CG1 4.11Å; F44-I49 HydrophobicContact CE2-CD1 4.14Å; F44-I49 HydrophobicContact CG-CB 4.21Å; F44-I49 HydrophobicContact CG-CD1 4.36Å; F44-P60 HydrophobicContact CE1-CB 4.11Å; F44-P60 HydrophobicContact CE1-CG 3.98Å; F44-P60 HydrophobicContact CZ-CB 4.2Å; F44-P60 HydrophobicContact CZ-CG 3.96Å; F44-V61 HydrophobicContact CE1-CG2 4.03Å; F44-V61 HydrophobicContact CZ-CG2 3.89Å
45C98Very high96.3Very high8 Ų838.3 Ų38.35%0.05420%0.198CC..EExtended strand (participates in β ladder)trans-62.9138.6165.5-49.90000110.2C25 N33 L47 C48 I49C25-C45 WeakPolarHBondContact CB-SG 3.47Å; C25-C45 PolarHBondContact SG-N 3.45Å; C25-C45 VanDerWaalsContact SG-SG 3.66Å; N33-C45 PolarHBondContact N-SG 3.34Å; N33-C45 VanDerWaalsContact O-CA 3.24Å; N33-C45 WeakPolarHBondContact O-CA 3.31Å; N33-C45 VanDerWaalsContact O-CB 3.24Å; N33-C45 WeakPolarHBondContact O-CB 3.36Å; C45-L47 VanDerWaalsContact C-N 3.34Å; C45-L47 PolarHBondContact O-N 2.96Å; C45-C48 HydrophobicContact CB-CB 4.15Å; C45-C48 WeakPolarHBondContact O-CB 3.25Å; C45-C48 PolarHBondContact O-N 3.44Å; C45-I49 PolarHBondContact O-N 3.45Å; C45-I49 VanDerWaalsContact O-N 3.11Å
46S96.8Very high96.2Very high0 Ų043 Ų430%022%0.218CC..Hα-helixtrans-52.6-48.4-177.8174.60000112.8N33 I34 C48 I49 R50 S310 D313N33-S46 PolarHBondContact O-N 3.4Å; I34-S46 VanDerWaalsContact O-CB 3.28Å; I34-S46 WeakPolarHBondContact O-CB 3.35Å; I34-S46 PolarHBondContact O-N 3.34Å; S46-C48 VanDerWaalsContact C-N 3.3Å; S46-C48 PolarHBondContact O-N 3Å; S46-I49 PolarHBondContact O-N 3.14Å; S46-R50 VanDerWaalsContact O-CB 3.29Å; S46-R50 WeakPolarHBondContact O-CB 3.4Å; S46-R50 VanDerWaalsContact O-CG 3.25Å; S46-R50 WeakPolarHBondContact O-CG 3.5Å; S46-R50 PolarHBondContact O-N 3.16Å; S46-R50 WeakPolarHBondContact OG-CD 3.47Å; S46-R50 PolarHBondContact OG-NE 2.63Å; S46-R50 VanDerWaalsContact OG-NE 3.08Å; S46-S310 WeakPolarHBondContact OG-CA 3.48Å; S46-S310 WeakPolarHBondContact OG-CB 3.4Å; S46-D313 WeakPolarHBondContact CB-OD2 3.13Å; S46-D313 PolarHBondContact OG-OD2 2.91Å
47L96.6Very high96.2Very high66 Ų6647.3 Ų47.335%0.34624%0.241SC..Hα-helixtrans-57-42.5177.5179.457.4000112.7C45 K51 H306 L307C45-L47 VanDerWaalsContact C-N 3.34Å; C45-L47 PolarHBondContact O-N 2.96Å; L47-K51 VanDerWaalsContact O-CB 3.27Å; L47-K51 WeakPolarHBondContact O-CB 3.26Å; L47-K51 PolarHBondContact O-N 2.83Å; L47-H306 HydrophobicContact CD1-CB 3.84Å; L47-L307 HydrophobicContact CD2-CD1 4.06Å
48C97.7Very high96.2Very high24 Ų2446.9 Ų46.916%0.16224%0.24CC..Hα-helixtrans-67.7-49.2-176.5-63.40000111.6I27 C28 C45 S46 K51 F52I27-C48 HydrophobicContact CB-CB 3.91Å; I27-C48 HydrophobicContact CD1-CB 3.73Å; I27-C48 HydrophobicContact CG1-CB 4.44Å; I27-C48 HydrophobicContact CG2-CB 3.86Å; C28-C48 VanDerWaalsContact SG-SG 3.67Å; C45-C48 HydrophobicContact CB-CB 4.15Å; C45-C48 WeakPolarHBondContact O-CB 3.25Å; C45-C48 PolarHBondContact O-N 3.44Å; S46-C48 VanDerWaalsContact C-N 3.3Å; S46-C48 PolarHBondContact O-N 3Å; C48-K51 PolarHBondContact O-N 2.87Å; C48-F52 PolarHBondContact O-N 2.96Å
49I97.3Very high96.3Very high0 Ų046.7 Ų46.70%024%0.239CC..Hα-helixtrans-71.6-39.4-179.7-168.760.2000111.8M36 F44 C45 S46 K51 F52 L53 P60 M66 L71M36-I49 HydrophobicContact CB-CG2 4.08Å; M36-I49 HydrophobicContact CG-CG2 4.33Å; F44-I49 HydrophobicContact CB-CB 3.86Å; F44-I49 HydrophobicContact CB-CG2 4.26Å; F44-I49 HydrophobicContact CD2-CB 4.27Å; F44-I49 HydrophobicContact CD2-CD1 3.95Å; F44-I49 HydrophobicContact CD2-CG1 4.11Å; F44-I49 HydrophobicContact CE2-CD1 4.14Å; F44-I49 HydrophobicContact CG-CB 4.21Å; F44-I49 HydrophobicContact CG-CD1 4.36Å; C45-I49 PolarHBondContact O-N 3.45Å; C45-I49 VanDerWaalsContact O-N 3.11Å; S46-I49 PolarHBondContact O-N 3.14Å; I49-K51 VanDerWaalsContact C-N 3.27Å; I49-K51 PolarHBondContact O-N 2.9Å; I49-F52 PolarHBondContact O-N 2.97Å; I49-L53 HydrophobicContact CD1-CD1 4.4Å; I49-L53 HydrophobicContact CD1-CG 4.16Å; I49-L53 HydrophobicContact CG1-CD1 3.94Å; I49-L53 HydrophobicContact CG1-CG 4.18Å; I49-L53 WeakPolarHBondContact O-CB 3.32Å; I49-L53 VanDerWaalsContact O-CG 3.25Å; I49-L53 WeakPolarHBondContact O-CG 3.48Å; I49-L53 PolarHBondContact O-N 2.9Å; I49-P60 HydrophobicContact CD1-CG 3.94Å; I49-M66 HydrophobicContact CD1-CE 4.45Å; I49-M66 HydrophobicContact CG1-CE 4.36Å; I49-L71 HydrophobicContact CG1-CD2 3.9Å; I49-L71 HydrophobicContact CG2-CD1 3.92Å; I49-L71 HydrophobicContact CG2-CD2 4.09Å
50R95.6Very high96.3Very high20 Ų2043 Ų438%0.07523%0.226CC..Hα-helixtrans-62.6-33.6175.7-70.1-179.7-177.3-76.6-1.4112.4S46 S54 E68 L71 D313S46-R50 VanDerWaalsContact O-CB 3.29Å; S46-R50 WeakPolarHBondContact O-CB 3.4Å; S46-R50 VanDerWaalsContact O-CG 3.25Å; S46-R50 WeakPolarHBondContact O-CG 3.5Å; S46-R50 PolarHBondContact O-N 3.16Å; S46-R50 WeakPolarHBondContact OG-CD 3.47Å; S46-R50 PolarHBondContact OG-NE 2.63Å; S46-R50 VanDerWaalsContact OG-NE 3.08Å; R50-S54 PolarHBondContact O-N 3.26Å; R50-E68 HydrophobicContact CG-CG 4.4Å; R50-E68 WeakPolarHBondContact CG-OE1 3.41Å; R50-E68 IonicContact CZ-OE1 2.64Å; R50-E68 VanDerWaalsContact NH1-CD 3.32Å; R50-E68 IonicContact NH1-OE1 3.82Å; R50-E68 PolarHBondContact NH1-OE1 3.32Å; R50-L71 HydrophobicContact CG-CD1 4.14Å; R50-D313 IonicContact CZ-OD1 3.9Å; R50-D313 IonicContact CZ-OD2 3.14Å; R50-D313 VanDerWaalsContact CZ-OD2 3.23Å; R50-D313 IonicContact NE-OD2 2.77Å; R50-D313 PolarHBondContact NE-OD2 3.09Å; R50-D313 IonicContact NH2-OD1 3.79Å; R50-D313 PolarHBondContact NH2-OD1 3.16Å; R50-D313 IonicContact NH2-OD2 3.23Å; R50-D313 PolarHBondContact NH2-OD2 3.34Å
51K95.4Very high96.3Very high61 Ų6144.7 Ų44.727%0.26524%0.236SC..Hα-helixtrans-71.4-45.1172.1-175.3175.6176.3177.90111.9L47 C48 I49 L53 S54 F456L47-K51 VanDerWaalsContact O-CB 3.27Å; L47-K51 WeakPolarHBondContact O-CB 3.26Å; L47-K51 PolarHBondContact O-N 2.83Å; C48-K51 PolarHBondContact O-N 2.87Å; I49-K51 VanDerWaalsContact C-N 3.27Å; I49-K51 PolarHBondContact O-N 2.9Å; K51-L53 PolarHBondContact O-N 3.24Å; K51-S54 WeakPolarHBondContact O-CB 3.47Å; K51-S54 PolarHBondContact O-N 3.42Å; K51-S54 VanDerWaalsContact O-N 3.09Å; K51-S54 PolarHBondContact O-OG 2.87Å; K51-F456 HydrophobicContact CD-CE2 4.4Å; K51-F456 HydrophobicContact CD-CZ 4.22Å; K51-F456 HydrophobicContact CG-CE1 4.11Å; K51-F456 HydrophobicContact CG-CZ 3.9Å
52F96.4Very high96.4Very high30 Ų3043.3 Ų43.313%0.13223%0.226CC..Hα-helixtrans-59.7-44.8175.5-170.6-87.9000112C48 I49 S54 Y55 K56 L58 P60C48-F52 PolarHBondContact O-N 2.96Å; I49-F52 PolarHBondContact O-N 2.97Å; F52-S54 PolarHBondContact O-N 3.1Å; F52-S54 VanDerWaalsContact O-N 3.16Å; F52-Y55 WeakPolarHBondContact O-CA 3.49Å; F52-Y55 PolarHBondContact O-N 3.05Å; F52-K56 HydrophobicContact CE1-CB 4.06Å; F52-K56 HydrophobicContact CZ-CB 4.39Å; F52-K56 PolarHBondContact O-N 3.37Å; F52-L58 VanDerWaalsContact CE1-O 3.32Å; F52-L58 WeakPolarHBondContact CE1-O 3.45Å; F52-P60 HydrophobicContact CB-CG 4.47Å; F52-P60 HydrophobicContact CD1-CG 3.73Å; F52-P60 HydrophobicContact CD2-CG 4.09Å; F52-P60 HydrophobicContact CE1-CB 4.48Å; F52-P60 HydrophobicContact CE1-CG 3.89Å; F52-P60 HydrophobicContact CE2-CB 4.35Å; F52-P60 HydrophobicContact CE2-CG 4.23Å; F52-P60 HydrophobicContact CG-CG 3.83Å; F52-P60 HydrophobicContact CZ-CB 4.29Å; F52-P60 HydrophobicContact CZ-CG 4.13Å
53L95.4Very high96.3Very high6 Ų645.7 Ų45.73%0.03124%0.24CC..THydrogen-bonded Turntrans-68.8-7.1176.4-63.1174.4000114.3I49 K51 Y55 K56 L57 M66 L71I49-L53 HydrophobicContact CD1-CD1 4.4Å; I49-L53 HydrophobicContact CD1-CG 4.16Å; I49-L53 HydrophobicContact CG1-CD1 3.94Å; I49-L53 HydrophobicContact CG1-CG 4.18Å; I49-L53 WeakPolarHBondContact O-CB 3.32Å; I49-L53 VanDerWaalsContact O-CG 3.25Å; I49-L53 WeakPolarHBondContact O-CG 3.48Å; I49-L53 PolarHBondContact O-N 2.9Å; K51-L53 PolarHBondContact O-N 3.24Å; L53-Y55 VanDerWaalsContact C-N 3.34Å; L53-K56 WeakPolarHBondContact CA-O 3.48Å; L53-L57 HydrophobicContact CB-CD2 4.47Å; L53-L57 WeakPolarHBondContact O-CD2 3.35Å; L53-M66 HydrophobicContact CD1-CE 3.83Å; L53-M66 HydrophobicContact CD2-CE 4.12Å; L53-M66 HydrophobicContact CD2-CG 3.97Å; L53-M66 HydrophobicContact CD2-SD 4.4Å; L53-L71 HydrophobicContact CD1-CD1 4Å; L53-L71 HydrophobicContact CD1-CD2 4.32Å; L53-L71 HydrophobicContact CD1-CG 4.3Å
54S92.6Very high96.3Very high62 Ų6246.3 Ų46.343%0.43425%0.248SC..THydrogen-bonded Turntrans-84.1-9.8166.174.70000113.7R50 K51 F52R50-S54 PolarHBondContact O-N 3.26Å; K51-S54 WeakPolarHBondContact O-CB 3.47Å; K51-S54 PolarHBondContact O-N 3.42Å; K51-S54 VanDerWaalsContact O-N 3.09Å; K51-S54 PolarHBondContact O-OG 2.87Å; F52-S54 PolarHBondContact O-N 3.1Å; F52-S54 VanDerWaalsContact O-N 3.16Å
55Y92.5Very high96.2Very high117 Ų11753.4 Ų53.446%0.45928%0.281SS..THydrogen-bonded Turntrans-111.4-49.7177.3170.3-119.5000111.7F52 L53 I455F52-Y55 WeakPolarHBondContact O-CA 3.49Å; F52-Y55 PolarHBondContact O-N 3.05Å; L53-Y55 VanDerWaalsContact C-N 3.34Å; Y55-I455 HydrophobicContact CD1-CG2 4.33Å; Y55-I455 HydrophobicContact CE1-CG2 4.27Å
56K95Very high96.1Very high97 Ų9753.1 Ų53.142%0.42228%0.279SS..  trans-138.3127.8179.1-76.1175.2176.2161.70111.6F52 L53 L58F52-K56 HydrophobicContact CE1-CB 4.06Å; F52-K56 HydrophobicContact CZ-CB 4.39Å; F52-K56 PolarHBondContact O-N 3.37Å; L53-K56 WeakPolarHBondContact CA-O 3.48Å; K56-L58 PolarHBondContact O-N 2.87Å
57L96.3Very high96Very high95 Ų9555.9 Ų55.950%0.49730%0.296SS..SBendtrans-81.650.5-178.8-65.6175.4000112.8L53 M66L53-L57 HydrophobicContact CB-CD2 4.47Å; L53-L57 WeakPolarHBondContact O-CD2 3.35Å; L57-M66 CarbonylContact C-O 3.21Å; L57-M66 WeakPolarHBondContact CA-O 3.25Å; L57-M66 WeakPolarHBondContact CB-O 3.4Å; L57-M66 PolarHBondContact O-N 2.75Å; L57-M66 VanDerWaalsContact O-O 3.09Å
58L97.1Very high95.7Very high60 Ų6054.9 Ų54.931%0.31429%0.289SS..BIsolated β-bridgetrans-133.3156.9-176.8-54.3176.4000110F52 K56 S64 Q65F52-L58 VanDerWaalsContact CE1-O 3.32Å; F52-L58 WeakPolarHBondContact CE1-O 3.45Å; K56-L58 PolarHBondContact O-N 2.87Å; L58-S64 CarbonylContact C-O 3.54Å; L58-S64 WeakPolarHBondContact CA-O 3.38Å; L58-Q65 HydrophobicContact CD2-CB 4.3Å
59C97.5Very high95.4Very high0 Ų062.4 Ų62.40%032%0.322CS..  trans-71.7126.5167.5178.60000110.4V61 C62 N63 S64 M66C59-V61 PolarHBondContact O-N 3.3Å; C59-V61 VanDerWaalsContact O-N 3.08Å; C59-C62 VanDerWaalsContact SG-SG 3.65Å; C59-N63 VanDerWaalsContact O-CA 3.27Å; C59-N63 WeakPolarHBondContact O-CA 3.44Å; C59-N63 PolarHBondContact O-N 3.43Å; C59-S64 PolarHBondContact N-O 2.93Å; C59-M66 HydrophobicContact CB-SD 3.8Å
60P96.8Very high95.2Very high40 Ų4064.7 Ų64.726%0.2633%0.334SS..THydrogen-bonded Turntrans-57.6-22.3179.8-26.432.5000116.3I27 F44 I49 F52I27-P60 HydrophobicContact CD1-CG 4.06Å; I27-P60 HydrophobicContact CG1-CG 4.32Å; F44-P60 HydrophobicContact CE1-CB 4.11Å; F44-P60 HydrophobicContact CE1-CG 3.98Å; F44-P60 HydrophobicContact CZ-CB 4.2Å; F44-P60 HydrophobicContact CZ-CG 3.96Å; I49-P60 HydrophobicContact CD1-CG 3.94Å; F52-P60 HydrophobicContact CB-CG 4.47Å; F52-P60 HydrophobicContact CD1-CG 3.73Å; F52-P60 HydrophobicContact CD2-CG 4.09Å; F52-P60 HydrophobicContact CE1-CB 4.48Å; F52-P60 HydrophobicContact CE1-CG 3.89Å; F52-P60 HydrophobicContact CE2-CB 4.35Å; F52-P60 HydrophobicContact CE2-CG 4.23Å; F52-P60 HydrophobicContact CG-CG 3.83Å; F52-P60 HydrophobicContact CZ-CB 4.29Å; F52-P60 HydrophobicContact CZ-CG 4.13Å
61V96.8Very high95.2Very high72 Ų7264.3 Ų64.344%0.43633%0.333SS..THydrogen-bonded Turntrans-101.1-41.2-173.4-179.80000112.5P26 H42 F44 C59P26-V61 HydrophobicContact CB-CG2 4.11Å; P26-V61 HydrophobicContact CG-CG2 4.26Å; H42-V61 VanDerWaalsContact CD2-CG1 3.48Å; H42-V61 WeakPolarHBondContact CD2-CG1 3.17Å; H42-V61 WeakPolarHBondContact NE2-CG1 3.36Å; F44-V61 HydrophobicContact CE1-CG2 4.03Å; F44-V61 HydrophobicContact CZ-CG2 3.89Å; C59-V61 PolarHBondContact O-N 3.3Å; C59-V61 VanDerWaalsContact O-N 3.08Å
62C97.2Very high95.1Very high57 Ų5770 Ų7039%0.38535%0.353SS..THydrogen-bonded Turntrans-120.15.7-174.969.70000114.7C40 C59 S64C40-C62 PolarHBondContact SG-SG 3.4Å; C59-C62 VanDerWaalsContact SG-SG 3.65Å; C62-S64 PolarHBondContact O-N 3.15Å
63N96.6Very high95.1Very high109 Ų10971.2 Ų71.258%0.58336%0.361SS*.  trans56.511.5-179.3-61.3-54.3000116.1C59 Q65C59-N63 VanDerWaalsContact O-CA 3.27Å; C59-N63 WeakPolarHBondContact O-CA 3.44Å; C59-N63 PolarHBondContact O-N 3.43Å; N63-Q65 PolarHBondContact O-N 3.35Å
64S96.9Very high95Very high49 Ų4972.4 Ų72.434%0.34337%0.367SS..  trans-61130174.4-171.50000111L58 C59 C62 M66L58-S64 CarbonylContact C-O 3.54Å; L58-S64 WeakPolarHBondContact CA-O 3.38Å; C59-S64 PolarHBondContact N-O 2.93Å; C62-S64 PolarHBondContact O-N 3.15Å; S64-M66 PolarHBondContact O-N 3.46Å
65Q96.8Very high95.1Very high149 Ų14972.7 Ų72.770%0.69636%0.359SS*.BIsolated β-bridgetrans-66.5127.8-176.7-171.6-173.823.100111.8K39 L58 N63K39-Q65 WeakPolarHBondContact CE-O 3.25Å; K39-Q65 PolarHBondContact NZ-O 3.3Å; L58-Q65 HydrophobicContact CD2-CB 4.3Å; N63-Q65 PolarHBondContact O-N 3.35Å
66M94.1Very high95.2Very high2 Ų273.1 Ų73.11%0.0137%0.369CS..  trans-154.9153.3-174.456.6170.9-65.300113.2T38 I49 L53 L57 C59 S64 D70 L71T38-M66 HydrophobicContact CG2-CE 3.48Å; T38-M66 VanDerWaalsContact CG2-CE 3.48Å; T38-M66 HydrophobicContact CG2-SD 3.7Å; I49-M66 HydrophobicContact CD1-CE 4.45Å; I49-M66 HydrophobicContact CG1-CE 4.36Å; L53-M66 HydrophobicContact CD1-CE 3.83Å; L53-M66 HydrophobicContact CD2-CE 4.12Å; L53-M66 HydrophobicContact CD2-CG 3.97Å; L53-M66 HydrophobicContact CD2-SD 4.4Å; L57-M66 CarbonylContact C-O 3.21Å; L57-M66 WeakPolarHBondContact CA-O 3.25Å; L57-M66 WeakPolarHBondContact CB-O 3.4Å; L57-M66 PolarHBondContact O-N 2.75Å; L57-M66 VanDerWaalsContact O-O 3.09Å; C59-M66 HydrophobicContact CB-SD 3.8Å; S64-M66 PolarHBondContact O-N 3.46Å; M66-D70 HydrophobicContact CB-CB 4.43Å; M66-L71 HydrophobicContact CE-CD2 3.53Å; M66-L71 HydrophobicContact CE-CG 4.41Å
67T94.6Very high95.2Very high58 Ų5869.9 Ų69.936%0.35636%0.356SS..  trans-111.2171.617973.10000111.1Q69 D70T67-Q69 PolarHBondContact O-N 3.09Å; T67-Q69 PolarHBondContact OG1-N 2.88Å; T67-D70 WeakPolarHBondContact CA-OD2 3.28Å; T67-D70 WeakPolarHBondContact CB-OD2 3.35Å; T67-D70 PolarHBondContact N-OD2 3.08Å; T67-D70 PolarHBondContact O-N 3.47Å; T67-D70 PolarHBondContact OG1-N 2.91Å; T67-D70 PolarHBondContact OG1-OD2 3.37Å
68E92.1Very high95.1Very high45 Ų4566.6 Ų66.621%0.2134%0.339CS..THydrogen-bonded Turntrans-67.6-16173.7-173.1167.3-159.300113.4R50 L71 K268R50-E68 HydrophobicContact CG-CG 4.4Å; R50-E68 WeakPolarHBondContact CG-OE1 3.41Å; R50-E68 IonicContact CZ-OE1 2.64Å; R50-E68 VanDerWaalsContact NH1-CD 3.32Å; R50-E68 IonicContact NH1-OE1 3.82Å; R50-E68 PolarHBondContact NH1-OE1 3.32Å; E68-L71 HydrophobicContact CG-CD1 4.36Å; E68-K268 IonicContact OE1-NZ 3.89Å; E68-K268 WeakPolarHBondContact OE2-CE 3.37Å; E68-K268 IonicContact OE2-NZ 3.11Å; E68-K268 PolarHBondContact OE2-NZ 3.29Å
69Q90.9Very high95Very high182 Ų18268 Ų6885%0.8535%0.346SS*.THydrogen-bonded Turntrans-85.7-20.2175.9-62.8179.2-3.600112.7T67 L71T67-Q69 PolarHBondContact O-N 3.09Å; T67-Q69 PolarHBondContact OG1-N 2.88Å; Q69-L71 PolarHBondContact O-N 2.79Å
70D92.6Very high94.9Very high47 Ų4772.6 Ų72.625%0.25137%0.371SS..SBendtrans-75.2-3.1174.9-62.4-92.2000113K39 M66 T67K39-D70 HydrophobicContact CD-CB 4.43Å; K39-D70 WeakPolarHBondContact CD-OD1 3.49Å; K39-D70 IonicContact NZ-OD1 3.2Å; K39-D70 PolarHBondContact NZ-OD1 3.27Å; K39-D70 VanDerWaalsContact NZ-OD1 3.14Å; K39-D70 IonicContact NZ-OD2 2.7Å; M66-D70 HydrophobicContact CB-CB 4.43Å; T67-D70 WeakPolarHBondContact CA-OD2 3.28Å; T67-D70 WeakPolarHBondContact CB-OD2 3.35Å; T67-D70 PolarHBondContact N-OD2 3.08Å; T67-D70 PolarHBondContact O-N 3.47Å; T67-D70 PolarHBondContact OG1-N 2.91Å; T67-D70 PolarHBondContact OG1-OD2 3.37Å
71L94.8Very high94.9Very high13 Ų1371 Ų717%0.06836%0.36CS..  trans-83.5134.4-177.2-62.9178.5000111.7M36 T38 I49 R50 L53 M66 E68 Q69M36-L71 HydrophobicContact CB-CD2 4.37Å; M36-L71 HydrophobicContact CE-CB 3.75Å; T38-L71 HydrophobicContact CG2-CD2 4.06Å; I49-L71 HydrophobicContact CG1-CD2 3.9Å; I49-L71 HydrophobicContact CG2-CD1 3.92Å; I49-L71 HydrophobicContact CG2-CD2 4.09Å; R50-L71 HydrophobicContact CG-CD1 4.14Å; L53-L71 HydrophobicContact CD1-CD1 4Å; L53-L71 HydrophobicContact CD1-CD2 4.32Å; L53-L71 HydrophobicContact CD1-CG 4.3Å; M66-L71 HydrophobicContact CE-CD2 3.53Å; M66-L71 HydrophobicContact CE-CG 4.41Å; E68-L71 HydrophobicContact CG-CD1 4.36Å; Q69-L71 PolarHBondContact O-N 2.79Å
72R94.8Very high94.7Very high181 Ų18171.9 Ų71.968%0.68337%0.365SS*.EExtended strand (participates in β ladder)trans-130.3136.9175.7-57.7-63.5-67.5-86.32.2110.6M36 M37M36-R72 CarbonylContact C-O 3.6Å; M36-R72 WeakPolarHBondContact CA-O 3.46Å; M37-R72 PolarHBondContact N-O 3.28Å; M37-R72 PolarHBondContact O-N 3.2Å
73N94.9Very high94.7Very high55 Ų5574.6 Ų74.629%0.29438%0.376SS..EExtended strand (participates in β ladder)trans-62.4137.3175.1-76102.2000112.1T35 M36 R75 D313T35-N73 CarbonylContact O-C 3.53Å; T35-N73 WeakPolarHBondContact O-CA 3.49Å; M36-N73 HydrophobicContact SD-CB 4.43Å; M36-N73 PolarHBondContact SD-ND2 3.43Å; N73-R75 PolarHBondContact ND2-NH1 2.82Å; N73-R75 VanDerWaalsContact ND2-NH1 3.17Å; N73-D313 PolarHBondContact ND2-O 2.73Å
74N95.3Very high94.6Very high31 Ų3170.6 Ų70.617%0.16635%0.354CS..  trans-113.577.6173.5-167.9-10000110.3T35 M37 N43 L76 L77 D78T35-N74 HydrophobicContact CG2-CB 4.12Å; T35-N74 PolarHBondContact O-N 3.45Å; M37-N74 HydrophobicContact CB-CB 4.13Å; N43-N74 PolarHBondContact OD1-ND2 3.24Å; N74-L76 PolarHBondContact O-N 3.01Å; N74-L77 HydrophobicContact CB-CD1 4.45Å; N74-L77 VanDerWaalsContact ND2-CD1 3.27Å; N74-L77 WeakPolarHBondContact ND2-CD1 3.36Å; N74-L77 PolarHBondContact O-N 3.16Å; N74-D78 PolarHBondContact O-N 3.38Å
75R93Very high94.4Very high68 Ų6871.7 Ų71.726%0.25735%0.353SS..Hα-helixtrans-58.2-31.6-176.4-59.9-55.5-176.1-158.9-2.4113.5N73 L77 D78 D79 D313N73-R75 PolarHBondContact ND2-NH1 2.82Å; N73-R75 VanDerWaalsContact ND2-NH1 3.17Å; R75-L77 PolarHBondContact O-N 3.32Å; R75-D78 WeakPolarHBondContact CD-OD2 3.43Å; R75-D78 IonicContact NH1-OD2 3.77Å; R75-D78 PolarHBondContact NH1-OD2 3.05Å; R75-D78 WeakPolarHBondContact O-CB 3.23Å; R75-D78 PolarHBondContact O-N 3.4Å; R75-D78 VanDerWaalsContact O-N 3.1Å; R75-D79 PolarHBondContact O-N 3.48Å; R75-D313 VanDerWaalsContact CZ-O 3.25Å; R75-D313 PolarHBondContact NH1-O 3.5Å; R75-D313 PolarHBondContact NH2-O 3.5Å
76L94.8Very high94.2Very high126 Ų12666.7 Ų66.766%0.6634%0.337SS*.Hα-helixtrans-63.6-31.9177.8-61.7176.6000111.9N74 L80N74-L76 PolarHBondContact O-N 3.01Å; L76-L80 VanDerWaalsContact O-CB 3.28Å; L76-L80 WeakPolarHBondContact O-CB 3.48Å; L76-L80 WeakPolarHBondContact O-CD1 3.36Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 3.34Å
77L95.3Very high94Very high28 Ų2868.6 Ų68.615%0.14735%0.353CS..Hα-helixtrans-75.8-36.5171.6-72.2179.4000112.3L23 L32 T35 N43 N74 R75 D79 L80 V81L23-L77 HydrophobicContact CD2-CD2 4.09Å; L32-L77 HydrophobicContact CD1-CD1 4.12Å; T35-L77 HydrophobicContact CG2-CB 3.88Å; T35-L77 HydrophobicContact CG2-CD1 3.87Å; N43-L77 HydrophobicContact CB-CD1 3.75Å; N43-L77 WeakPolarHBondContact OD1-CD1 3.3Å; N74-L77 HydrophobicContact CB-CD1 4.45Å; N74-L77 VanDerWaalsContact ND2-CD1 3.27Å; N74-L77 WeakPolarHBondContact ND2-CD1 3.36Å; N74-L77 PolarHBondContact O-N 3.16Å; R75-L77 PolarHBondContact O-N 3.32Å; L77-D79 VanDerWaalsContact C-N 3.33Å; L77-D79 PolarHBondContact O-N 3.24Å; L77-L80 HydrophobicContact CD2-CD1 4.22Å; L77-L80 PolarHBondContact O-N 3.48Å; L77-V81 WeakPolarHBondContact O-CB 3.31Å; L77-V81 VanDerWaalsContact O-CG2 3.29Å; L77-V81 WeakPolarHBondContact O-CG2 3.02Å; L77-V81 PolarHBondContact O-N 3.12Å
78D94.3Very high93.8Very high27 Ų2767.6 Ų67.614%0.14434%0.343CS..Hα-helixtrans-56.5-48.6171.6-62.3-30.1000110.4T35 N74 R75 V81 V82T35-D78 WeakPolarHBondContact CB-OD1 3.38Å; T35-D78 PolarHBondContact N-OD1 2.78Å; T35-D78 PolarHBondContact OG1-OD1 3.1Å; N74-D78 PolarHBondContact O-N 3.38Å; R75-D78 WeakPolarHBondContact CD-OD2 3.43Å; R75-D78 IonicContact NH1-OD2 3.77Å; R75-D78 PolarHBondContact NH1-OD2 3.05Å; R75-D78 WeakPolarHBondContact O-CB 3.23Å; R75-D78 PolarHBondContact O-N 3.4Å; R75-D78 VanDerWaalsContact O-N 3.1Å; D78-V81 PolarHBondContact O-N 3.45Å; D78-V82 WeakPolarHBondContact O-CG2 3.17Å; D78-V82 PolarHBondContact O-N 3.46Å
79D94.9Very high93.6Very high89 Ų8970.5 Ų70.548%0.47636%0.356SS..Hα-helixtrans-66.5-40.7178.6-66.6-37.4000112.2R75 L77 V82 N83R75-D79 PolarHBondContact O-N 3.48Å; L77-D79 VanDerWaalsContact C-N 3.33Å; L77-D79 PolarHBondContact O-N 3.24Å; D79-V82 PolarHBondContact O-N 3.11Å; D79-N83 PolarHBondContact O-N 3.09Å; D79-N83 PolarHBondContact O-ND2 3.01Å
80L95.8Very high93.4Very high97 Ų9768.2 Ų68.251%0.50835%0.346SS..Hα-helixtrans-65.4-39.4177.4-79.4168.9000112.5L23 L76 L77 F84L23-L80 HydrophobicContact CD2-CB 4.11Å; L76-L80 VanDerWaalsContact O-CB 3.28Å; L76-L80 WeakPolarHBondContact O-CB 3.48Å; L76-L80 WeakPolarHBondContact O-CD1 3.36Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 3.34Å; L77-L80 HydrophobicContact CD2-CD1 4.22Å; L77-L80 PolarHBondContact O-N 3.48Å; L80-F84 WeakPolarHBondContact O-CB 3.49Å; L80-F84 PolarHBondContact O-N 2.77Å
81V95.7Very high93.1Very high6 Ų669 Ų694%0.03635%0.35CS..Hα-helixtrans-58.8-50.3174166.40000110.5L23 F31 L32 L77 D78 N83 F84 Q85L23-V81 HydrophobicContact CB-CG2 4.15Å; L23-V81 HydrophobicContact CD2-CG2 4.16Å; F31-V81 HydrophobicContact CB-CG1 3.9Å; F31-V81 HydrophobicContact CD1-CG1 4.21Å; F31-V81 HydrophobicContact CG-CG1 4.28Å; L32-V81 HydrophobicContact CB-CG2 4.1Å; L77-V81 WeakPolarHBondContact O-CB 3.31Å; L77-V81 VanDerWaalsContact O-CG2 3.29Å; L77-V81 WeakPolarHBondContact O-CG2 3.02Å; L77-V81 PolarHBondContact O-N 3.12Å; D78-V81 PolarHBondContact O-N 3.45Å; V81-N83 PolarHBondContact O-N 2.88Å; V81-F84 PolarHBondContact O-N 2.77Å; V81-Q85 HydrophobicContact CG1-CG 4.36Å; V81-Q85 WeakPolarHBondContact O-CB 3.49Å; V81-Q85 VanDerWaalsContact O-CG 3.32Å; V81-Q85 WeakPolarHBondContact O-CG 3.47Å; V81-Q85 PolarHBondContact O-N 3.06Å
82V94.4Very high92.5Very high91 Ų9169.9 Ų69.955%0.55235%0.354SS*.Hα-helixtrans-61.7-45.2-178.5172.60000111.6D78 D79 A86D78-V82 WeakPolarHBondContact O-CG2 3.17Å; D78-V82 PolarHBondContact O-N 3.46Å; D79-V82 PolarHBondContact O-N 3.11Å; V82-A86 WeakPolarHBondContact O-CB 3.37Å; V82-A86 PolarHBondContact O-N 3.08Å; V82-A86 VanDerWaalsContact O-N 3.1Å
83N95.3Very high91.9Very high114 Ų11466.9 Ų66.961%0.6135%0.346SS*.Hα-helixtrans-67-39.3178.1-77.9-85.5000112.2D79 V81 A87D79-N83 PolarHBondContact O-N 3.09Å; D79-N83 PolarHBondContact O-ND2 3.01Å; V81-N83 PolarHBondContact O-N 2.88Å; N83-A87 WeakPolarHBondContact O-CB 3.46Å; N83-A87 PolarHBondContact O-N 3.21Å
84F94.4Very high90.9Very high25 Ų2567.5 Ų67.511%0.1136%0.359CS..Hα-helixtrans-68.3-40.6178-180-97000112.4V19 D20 L23 F31 L80 V81 A87 R88V19-F84 HydrophobicContact CB-CE2 4Å; V19-F84 HydrophobicContact CB-CZ 4.5Å; V19-F84 HydrophobicContact CG1-CD2 3.77Å; V19-F84 HydrophobicContact CG1-CE2 3.7Å; V19-F84 HydrophobicContact CG1-CZ 4.42Å; D20-F84 HydrophobicContact CB-CE1 3.98Å; D20-F84 HydrophobicContact CB-CZ 3.86Å; D20-F84 WeakPolarHBondContact OD1-CE1 3.29Å; L23-F84 HydrophobicContact CD1-CB 3.53Å; L23-F84 HydrophobicContact CD1-CD1 3.75Å; L23-F84 HydrophobicContact CD1-CD2 4.12Å; L23-F84 HydrophobicContact CD1-CG 3.52Å; F31-F84 AromaticContact CE1-CD1 3.8Å; F31-F84 HydrophobicContact CE1-CD1 3.8Å; F31-F84 AromaticContact CE1-CE1 3.94Å; F31-F84 HydrophobicContact CE1-CE1 3.94Å; F31-F84 HydrophobicContact CZ-CD1 4.17Å; F31-F84 HydrophobicContact CZ-CE1 4.06Å; L80-F84 WeakPolarHBondContact O-CB 3.49Å; L80-F84 PolarHBondContact O-N 2.77Å; V81-F84 PolarHBondContact O-N 2.77Å; F84-A87 PolarHBondContact O-N 2.99Å; F84-R88 VanDerWaalsContact O-CB 3.32Å; F84-R88 WeakPolarHBondContact O-CB 3.25Å; F84-R88 PolarHBondContact O-N 2.77Å
85Q92.9Very high89.3Confident72 Ų7269.8 Ų69.834%0.33637%0.371SS..Hα-helixtrans-61-47.5173.9-74.7174.8-7.600111.4F31 V81 A87 R88 E89F31-Q85 HydrophobicContact CD2-CG 4.29Å; F31-Q85 HydrophobicContact CE1-CG 4.44Å; F31-Q85 HydrophobicContact CE2-CG 4.15Å; F31-Q85 HydrophobicContact CG-CG 4.48Å; F31-Q85 VanDerWaalsContact CG-NE2 3.25Å; F31-Q85 HydrophobicContact CZ-CG 4.23Å; V81-Q85 HydrophobicContact CG1-CG 4.36Å; V81-Q85 WeakPolarHBondContact O-CB 3.49Å; V81-Q85 VanDerWaalsContact O-CG 3.32Å; V81-Q85 WeakPolarHBondContact O-CG 3.47Å; V81-Q85 PolarHBondContact O-N 3.06Å; Q85-A87 VanDerWaalsContact C-N 3.33Å; Q85-A87 PolarHBondContact O-N 3.46Å; Q85-R88 PolarHBondContact O-N 3.29Å; Q85-E89 PolarHBondContact O-N 2.89Å
86A92.6Very high87.5Confident44 Ų4474.6 Ų74.636%0.36439%0.394SS..Hα-helixtrans-60.5-40.7176.400000112.5V82 Q90V82-A86 WeakPolarHBondContact O-CB 3.37Å; V82-A86 PolarHBondContact O-N 3.08Å; V82-A86 VanDerWaalsContact O-N 3.1Å; A86-Q90 WeakPolarHBondContact O-CG 3.48Å; A86-Q90 PolarHBondContact O-N 3.33Å; A86-Q90 VanDerWaalsContact O-N 3.14Å
87A91.1Very high85.4Confident41 Ų4176.7 Ų76.734%0.33940%0.401SS..Hα-helixtrans-67.2-42.5174.800000112.4N83 F84 Q85 E89 Q90 L91N83-A87 WeakPolarHBondContact O-CB 3.46Å; N83-A87 PolarHBondContact O-N 3.21Å; F84-A87 PolarHBondContact O-N 2.99Å; Q85-A87 VanDerWaalsContact C-N 3.33Å; Q85-A87 PolarHBondContact O-N 3.46Å; A87-E89 PolarHBondContact O-N 3.33Å; A87-Q90 PolarHBondContact O-N 3.01Å; A87-L91 WeakPolarHBondContact O-CB 3.34Å; A87-L91 VanDerWaalsContact O-CG 3.29Å; A87-L91 WeakPolarHBondContact O-CG 3.27Å; A87-L91 PolarHBondContact O-N 2.75Å
88R89.1Confident83.1Confident37 Ų3779.9 Ų79.914%0.1443%0.425CS..Hα-helixtrans-59.4-45.5175.9179.7176.2170.5-178.4-10110.9E7 D20 F84 Q85 L91 L92E7-R88 PolarHBondContact O-NH2 3.39Å; D20-R88 IonicContact OD1-CZ 2.63Å; D20-R88 IonicContact OD1-NH1 3.83Å; D20-R88 PolarHBondContact OD1-NH1 3.01Å; D20-R88 IonicContact OD2-NH1 3.57Å; F84-R88 VanDerWaalsContact O-CB 3.32Å; F84-R88 WeakPolarHBondContact O-CB 3.25Å; F84-R88 PolarHBondContact O-N 2.77Å; Q85-R88 PolarHBondContact O-N 3.29Å; R88-L91 PolarHBondContact O-N 2.99Å; R88-L92 HydrophobicContact CG-CD1 4.1Å; R88-L92 WeakPolarHBondContact O-CB 2.96Å; R88-L92 VanDerWaalsContact O-CG 3.3Å; R88-L92 WeakPolarHBondContact O-CG 3.47Å; R88-L92 PolarHBondContact O-N 3.47Å
89E88.9Confident80.9Confident106 Ų10683.9 Ų83.950%0.49545%0.453SS..Hα-helixtrans-59.7-45.3174.4-84.7-165.4-133.600113.1Q85 A87 L92 K93Q85-E89 PolarHBondContact O-N 2.89Å; A87-E89 PolarHBondContact O-N 3.33Å; E89-L92 PolarHBondContact O-N 3.06Å; E89-K93 WeakPolarHBondContact O-CD 3.48Å; E89-K93 VanDerWaalsContact O-CG 3.24Å; E89-K93 WeakPolarHBondContact O-CG 3.27Å; E89-K93 PolarHBondContact O-N 3.42Å; E89-K93 IonicContact OE2-NZ 3.73Å; E89-K93 PolarHBondContact OE2-NZ 3.42Å
90Q86.9Confident78.7Confident135 Ų13585.2 Ų85.263%0.63147%0.467SS*.Hα-helixtrans-65.7-42.2179.2-72.41752000111.6A86 A87 K93 A94A86-Q90 WeakPolarHBondContact O-CG 3.48Å; A86-Q90 PolarHBondContact O-N 3.33Å; A86-Q90 VanDerWaalsContact O-N 3.14Å; A87-Q90 PolarHBondContact O-N 3.01Å; Q90-K93 PolarHBondContact O-N 3.48Å; Q90-A94 VanDerWaalsContact O-CB 3.3Å; Q90-A94 WeakPolarHBondContact O-CB 3.41Å; Q90-A94 PolarHBondContact O-N 3.16Å
91L85.1Confident76.7Confident64 Ų6488.6 Ų88.634%0.33548%0.483SS..Hα-helixtrans-64.4-40.3176.5-72.9170.7000112.2L13 L16 A87 R88 N95L13-L91 HydrophobicContact CD1-CB 3.97Å; L13-L91 HydrophobicContact CD1-CD1 4.28Å; L13-L91 HydrophobicContact CD2-CD1 4.4Å; L16-L91 HydrophobicContact CD1-CD1 3.87Å; A87-L91 WeakPolarHBondContact O-CB 3.34Å; A87-L91 VanDerWaalsContact O-CG 3.29Å; A87-L91 WeakPolarHBondContact O-CG 3.27Å; A87-L91 PolarHBondContact O-N 2.75Å; R88-L91 PolarHBondContact O-N 2.99Å; L91-N95 PolarHBondContact O-N 2.84Å; L91-N95 PolarHBondContact O-ND2 3.33Å
92L82.6Confident74.1Confident30 Ų3093.3 Ų93.316%0.15752%0.516CS..Hα-helixtrans-62.2-51.2174.5-72.8167.7000110.7P10 R88 E89 A94 N95 F96P10-L92 HydrophobicContact CG-CD2 4.44Å; R88-L92 HydrophobicContact CG-CD1 4.1Å; R88-L92 WeakPolarHBondContact O-CB 2.96Å; R88-L92 VanDerWaalsContact O-CG 3.3Å; R88-L92 WeakPolarHBondContact O-CG 3.47Å; R88-L92 PolarHBondContact O-N 3.47Å; E89-L92 PolarHBondContact O-N 3.06Å; L92-A94 PolarHBondContact O-N 2.89Å; L92-N95 PolarHBondContact O-N 3.28Å; L92-N95 VanDerWaalsContact O-N 3.17Å; L92-F96 WeakPolarHBondContact O-CD2 3.41Å
93K81.9Confident72.4Confident118 Ų11894.1 Ų94.151%0.51352%0.523SS..Hα-helixtrans-56.3-46.7178-68.8160.5-167.1167.30111.9E89 Q90 N95 F96 E97E89-K93 WeakPolarHBondContact O-CD 3.48Å; E89-K93 VanDerWaalsContact O-CG 3.24Å; E89-K93 WeakPolarHBondContact O-CG 3.27Å; E89-K93 PolarHBondContact O-N 3.42Å; E89-K93 IonicContact OE2-NZ 3.73Å; E89-K93 PolarHBondContact OE2-NZ 3.42Å; Q90-K93 PolarHBondContact O-N 3.48Å; K93-N95 VanDerWaalsContact C-N 3.29Å; K93-N95 PolarHBondContact O-N 2.78Å; K93-F96 PolarHBondContact O-N 2.86Å; K93-F96 VanDerWaalsContact O-N 3.11Å; K93-E97 PolarHBondContact O-N 3.16Å
94A74.3Confident70Confident68 Ų6895.3 Ų95.356%0.56254%0.535SS*.Hα-helixtrans-65.3-24.9-179.700000114.5Q90 L92Q90-A94 VanDerWaalsContact O-CB 3.3Å; Q90-A94 WeakPolarHBondContact O-CB 3.41Å; Q90-A94 PolarHBondContact O-N 3.16Å; L92-A94 PolarHBondContact O-N 2.89Å
95N61.5Low67.5Low80 Ų80100.3 Ų100.343%0.42857%0.568SS.*Hα-helixtrans-78.3-19.4174.9-82.5-87.9000113L91 L92 K93L91-N95 PolarHBondContact O-N 2.84Å; L91-N95 PolarHBondContact O-ND2 3.33Å; L92-N95 PolarHBondContact O-N 3.28Å; L92-N95 VanDerWaalsContact O-N 3.17Å; K93-N95 VanDerWaalsContact C-N 3.29Å; K93-N95 PolarHBondContact O-N 2.78Å
96F55.9Low65.3Low169 Ų169103 Ų10374%0.74159%0.591SS**Hα-helixtrans-93.2-22.5176.7-68.8-66.8000113.6L92 K93 S98L92-F96 WeakPolarHBondContact O-CD2 3.41Å; K93-F96 PolarHBondContact O-N 2.86Å; K93-F96 VanDerWaalsContact O-N 3.11Å; F96-S98 PolarHBondContact O-N 2.88Å
97E51Low62.7Low169 Ų169105.4 Ų105.479%0.7961%0.611SS**  trans-85.449.8-178.1-159.6158.6-152.300113.2K93K93-E97 PolarHBondContact O-N 3.16Å
98S45.9Very low60.2Low95 Ų95109.5 Ų109.566%0.66464%0.638SS**PPolyproline II helixtrans-81.5125.5164.6-69.90000109.7F96F96-S98 PolarHBondContact O-N 2.88Å
99P48.8Very low57.9Low111 Ų111112.6 Ų112.672%0.72167%0.671SS**PPolyproline II helixtrans-58.8143.5179.6-25.934.8000112.9I101P99-I101 PolarHBondContact O-N 2.9Å
100P48.1Very low55.4Low118 Ų118114.7 Ų114.777%0.76669%0.692SS**PPolyproline II helixtrans-65.7121.8-178.226.3-34.1000111.3S102P100-S102 VanDerWaalsContact C-N 3.35Å; P100-S102 PolarHBondContact O-N 2.99Å
101I54.3Low53.2Low167 Ų167117.8 Ų117.886%0.85670%0.703SS**  trans-77.485.7175.2-52.7175.2000108.7P99 P103P99-I101 PolarHBondContact O-N 2.9Å; I101-P103 WeakPolarHBondContact O-CD 3.28Å
102S41.6Very low50.4Low105 Ų105119.7 Ų119.773%0.73472%0.72SS**  trans-67.8126.1175.5-63.60000111.6P100P100-S102 VanDerWaalsContact C-N 3.35Å; P100-S102 PolarHBondContact O-N 2.99Å
103P58.8Low48.1Very low108 Ų108127.3 Ų127.370%0.70175%0.752SS**  trans-91.8162.8-177.935.6-35.5000114.4I101I101-P103 WeakPolarHBondContact O-CD 3.28Å
104T44.4Very low45.9Very low140 Ų140128.2 Ų128.286%0.85977%0.768SS**  trans68.8123.5160.146.50000120.9
105T41Very low43.9Very low129 Ų129130.4 Ų130.479%0.79178%0.776SS**  trans-77.9168166.2-13.90000112.1
106P46.6Very low42.5Very low128 Ų128138.4 Ų138.483%0.83180%0.801SS**  -139.5176.3104.137.7-24.8000114.3
107A37.8Very low41.4Very low95 Ų95138.6 Ų138.679%0.78580%0.804SS**  trans-96.5159.5-168.700000114.7
108S40.2Very low40.3Very low128 Ų128137.1 Ų137.190%0.89580%0.801SS**  trans-140.3132.5159.9-79.80000109.1
109A40.9Very low39.6Very low102 Ų102137.7 Ų137.784%0.84381%0.806SS**  trans-107.7125.2-173.500000112.4
110T36.3Very low39.2Very low150 Ų150140.6 Ų140.692%0.9281%0.809SS**  trans-128.9151.4159.241.20000109.9
111K39.4Very low38.6Very low199 Ų199145.8 Ų145.887%0.86581%0.814SS**  trans-137.2118.7-152.1173.8-171-175.6179.90110.7
112C27Very low37.4Very low104 Ų104143.4 Ų143.470%0.70381%0.812SS**  trans-173.2133.9145.3-1020000115.6
113K33.9Very low36.8Very low191 Ų191142 Ų14283%0.8381%0.814SS**  trans60.292134.8-59.9173.5-176.3179.80119.8
114T35.2Very low35.5Very low136 Ų136142.7 Ų142.783%0.83482%0.822SS**  trans-59.1159.713643.60000110.5
115P33.8Very low35.1Very low115 Ų115141.5 Ų141.575%0.74782%0.819SS**  cis-144159.346.741.3-22.5000119.2
116R31.7Very low34.9Very low248 Ų248143.2 Ų143.294%0.93682%0.821SS**  trans56.6125.1172-71.3-179.6164.9-172.1-5.7114.4
117E32.8Very low34.5Very low172 Ų172143.9 Ų143.980%0.80482%0.817SS**  -151.5177.852.2-155.1169.7-155.100113.3
118N28.7Very low34.4Very low138 Ų138144.3 Ų144.374%0.73881%0.814SS**  trans71.6133.5166.5-77-36.5000122
119S31.1Very low34.2Very low108 Ų108146.1 Ų146.176%0.75581%0.809SS**  trans63.1103.8143.7-62.10000122
120Q39.7Very low34Very low172 Ų172151 Ų15180%0.80481%0.811SS**  153.4136.2122.6-80.2-176.29.400108.4
121R35.1Very low33.9Very low226 Ų226153.9 Ų153.985%0.85381%0.811SS**  175.6166.580.1-87.1-168.5178.7168.5-1107.2
122S28.8Very low33.7Very low118 Ų118153.5 Ų153.583%0.82581%0.813SS**  cis-165.4143.6-14.2169.90000107.2
123G28.9Very low34.1Very low76 Ų76158.8 Ų158.878%0.78482%0.823SS**  trans-161.8123.9172.700000110.2
124S32Very low33.9Very low122 Ų122159.2 Ų159.285%0.85383%0.826SS**  trans-97.3175.3-175.455.20000112.7
125S37.2Very low33.7Very low114 Ų114157.6 Ų157.680%0.79783%0.826SS**  trans97.771167.9-153.80000118
126I36.7Very low33.5Very low165 Ų165163.8 Ų163.885%0.84683%0.834SS**  trans-144.4131.6159-60.6-176.6000104.6
127L36.3Very low33.5Very low142 Ų142158.7 Ų158.774%0.74383%0.831SS**  cis-146.8134.312.5-141.9165.3000110
128S35.9Very low33.8Very low104 Ų104155.9 Ų155.973%0.72783%0.828SS**  trans-153.234.9176.958.80000116.1
129H36.5Very low34.7Very low167 Ų167155.4 Ų155.477%0.77383%0.832SS**  trans-132.9106.7175.9-73-53000113.3
130F37Very low34.5Very low204 Ų204153.3 Ų153.390%0.89583%0.828SS**  trans-140.949.9165.5-121.3-80.6000113.6
131F33.8Very low34.1Very low211 Ų211153.4 Ų153.493%0.92583%0.825SS**  trans-134.4101161.2-89.2-75.4000109.5
132Q35.9Very low33.8Very low191 Ų191149.7 Ų149.789%0.89382%0.818SS**  trans-125.589.3165.5-76.4-158.4-0.200112
133K34.8Very low33.7Very low214 Ų214149.4 Ų149.493%0.9381%0.811SS**  trans-50132.8155-171.3-177.5-168.3177.50109.4
134K29.5Very low33.9Very low201 Ų201153.6 Ų153.687%0.87481%0.81SS**  trans-132.3133.3174.8-142.6171.3-171.6176.10111.5
135A31.2Very low33.7Very low102 Ų102156.1 Ų156.184%0.84381%0.808SS**  trans-106.4171.817900000111.4
136R29.5Very low33.1Very low244 Ų244155.9 Ų155.992%0.92180%0.798SS**  trans-85.5153.9-174.4-60.4175.4171.8-173.9-3.5113.5
137T31.3Very low32.8Very low142 Ų142153.8 Ų153.887%0.87179%0.793SS**  trans-158.7161.9137.416.30000111.2
138P40.8Very low32.6Very low112 Ų112154.8 Ų154.873%0.72779%0.793SS**  trans-122.5-156.7-169.346.2-33.1000112.6
139P47.1Very low32.3Very low129 Ų129157.6 Ų157.684%0.83879%0.788SS**  cis-128.5172.5-31.725-3.3000115.2
140G27.1Very low31.9Very low64 Ų64153 Ų15366%0.6679%0.786SS**  trans168.6116.3163.200000111.1
141K30.3Very low31.4Very low174 Ų174149.8 Ų149.876%0.75777%0.773SS**  57.1125.587.8-67.2-171.3152.2-70.10113.2
142E29.2Very low31.3Very low147 Ų147145 Ų14569%0.68776%0.762SS**  cis-173.3168.7-1.1-121.5142.5-15400107.4
143T27.5Very low31Very low113 Ų113143.8 Ų143.869%0.69376%0.756SS**  cis-159157.37.3-153.80000113.4
144H31.4Very low30.5Very low164 Ų164145 Ų14576%0.75976%0.755SS**  trans31.5128.8154.6-74.3-124.8000126
145Q28.2Very low30.4Very low175 Ų175141.5 Ų141.582%0.81875%0.75SS**  -171.6148.9100.7-103.3-173.6-40.100110.2
146D25.5Very low30.9Very low108 Ų108142.2 Ų142.258%0.57875%0.746SS**  cis-157.4168.7-6-145.2-26.7000112.2
147V30.6Very low30.8Very low121 Ų121135.7 Ų135.773%0.73374%0.738SS**  trans53.9141155.7156.70000120.9
148H32Very low30.5Very low163 Ų163134.4 Ų134.476%0.75573%0.733SS**  cis176.6164-27.6-116.143000107.7
149R29.1Very low29.8Very low164 Ų164140.7 Ų140.762%0.61974%0.742SS**  cis-175.3109.9-21.2167.8-134167.3-81.2-0.7112.9E151R149-E151 IonicContact CZ-OE1 2.7Å; R149-E151 IonicContact NH1-OE1 2.75Å; R149-E151 PolarHBondContact NH1-OE1 3.27Å; R149-E151 IonicContact NH2-OE1 3.17Å; R149-E151 PolarHBondContact NH2-OE1 3.22Å; R149-E151 IonicContact NH2-OE2 2.69Å
150G27.7Very low28.9Very low71 Ų71138.3 Ų138.373%0.73273%0.734SS**  trans95.9166.515300000118.6
151E26.5Very low28.9Very low135 Ų135145.5 Ų145.563%0.63175%0.747SS**  cis-150.1157.2-1.5-70.5-155-121.800109.2R149R149-E151 IonicContact CZ-OE1 2.7Å; R149-E151 IonicContact NH1-OE1 2.75Å; R149-E151 PolarHBondContact NH1-OE1 3.27Å; R149-E151 IonicContact NH2-OE1 3.17Å; R149-E151 PolarHBondContact NH2-OE1 3.22Å; R149-E151 IonicContact NH2-OE2 2.69Å
152V31.3Very low28.7Very low112 Ų112140 Ų14068%0.67974%0.74SS**  cis80.6124.734.41740000112.7
153Q31Very low28.8Very low164 Ų164138.6 Ų138.677%0.76675%0.746SS**  cis-168.5160.5-9.8-115.5-169.263.800110.5
154R24.5Very low28.8Very low241 Ų241140.1 Ų140.191%0.90975%0.75SS**  170.6162.3128.9-95.1172.2-176.3179.22.6117.4
155T26.4Very low28.8Very low127 Ų127139.1 Ų139.178%0.77975%0.75SS**  trans-121.8-164.7176.1550000108.5
156P42.8Very low28.8Very low116 Ų116140.7 Ų140.775%0.75375%0.749SS**  cis-145.4-1577.144.9-22.7000116.6
157S26.5Very low28.9Very low108 Ų108140.9 Ų140.976%0.75576%0.759SS**  trans89.7142.3156-147.40000117.9
158C25.9Very low28.7Very low114 Ų114138.1 Ų138.177%0.7776%0.755SS**  cis-170167.2-29.1-108.90000111.1
159R25.5Very low28.6Very low244 Ų244141 Ų14192%0.92177%0.765SS**  trans67.3168.8166.2-73.2-175.7172.1-163.8-0.2118.2
160A27Very low28.6Very low80 Ų80137.7 Ų137.766%0.66177%0.774SS**  177.5137.2-52.300000111
161K28.4Very low28.5Very low215 Ų215143.7 Ų143.794%0.93578%0.783SS**  trans66.2150.9-179-50.8-178.7179.2-174.40113.9
162G25.5Very low28.7Very low58 Ų58145.9 Ų145.960%0.59880%0.795SS**  cis149.6152.8-6.500000111.4
163S30.8Very low28.5Very low118 Ų118146.1 Ų146.183%0.82580%0.801SS**  trans60.4154177.244.40000117.5
164D27.4Very low28.4Very low145 Ų145143 Ų14378%0.77580%0.804SS**  cis-168.5174.1-35.4-119.4-56.1000110.4
165L32.3Very low28.4Very low143 Ų143138.4 Ų138.475%0.74980%0.802SS**  trans68119.5159.3-68.7167.8000122.2
166Y27.5Very low28.4Very low207 Ų207138.9 Ų138.981%0.81281%0.805SS**  trans67.9107131.9-90-116.9000123.8
167S29.1Very low27.7Very low113 Ų113141.3 Ų141.379%0.7980%0.803SS**  64.2121110.6-162.30000121.7
168G26.4Very low27.7Very low63 Ų63143.7 Ų143.765%0.64980%0.803SS**  136.6115121.200000119.2
169K28.3Very low27.7Very low222 Ų222145.5 Ų145.597%0.96580%0.8SS**  trans71.5162.1160.2-56.2-174.8179.7-179.50117.4
170A29.1Very low28.3Very low96 Ų96139.4 Ų139.479%0.79379%0.792SS**  trans-132.4154.8-175.600000110.8
171Q27.2Very low28.6Very low196 Ų196140.5 Ų140.592%0.91679%0.79SS**  trans-160.1168.5142.3-163.1149.6-26.200109.7
172M30.6Very low28.7Very low182 Ų182136.8 Ų136.890%0.89778%0.78SS**  trans-113.3141-174.1-57.1178.672.300113.3
173S25.7Very low29.1Very low116 Ų116139.5 Ų139.581%0.81179%0.785SS**  trans-159.4131.5153.443.90000107
174A28.6Very low28.8Very low98 Ų98142.5 Ų142.581%0.8179%0.786SS**  cis88.21064600000113.1
175V25.3Very low28.9Very low145 Ų145143.7 Ų143.788%0.87979%0.787SS**  trans-141.9140.1167177.80000108.5
176V27.1Very low29.2Very low137 Ų137141.5 Ų141.583%0.8378%0.781SS**  trans-137.7148.7178.8169.70000107.7
177K27.4Very low29.2Very low167 Ų167136.3 Ų136.373%0.72678%0.775SS**  trans174.9137.4162-100-166172.4-79.10109.2
178E27.2Very low29.3Very low159 Ų159138.1 Ų138.174%0.74377%0.774SS**  cis-147.3170.1-9.7-68.6-157.1116.600113.7
179E25.5Very low29.4Very low152 Ų152144.5 Ų144.571%0.7178%0.784SS**  trans-58169.7166.5-88.1-69139.100114.8V181E179-V181 PolarHBondContact OE2-N 2.92Å
180P38.5Very low29.3Very low115 Ų115139.5 Ų139.575%0.74777%0.772SS**  -149.1144.354.938.2-15.3000122
181V31.6Very low29.2Very low104 Ų104141.7 Ų141.763%0.6377%0.77SS**  43.9141.6114.1-175.70000119.4E179E179-V181 PolarHBondContact OE2-N 2.92Å
182D30.5Very low29.2Very low137 Ų137139.5 Ų139.573%0.73376%0.761SS**  cis-141.7140.624.1-110.6-35000110
183V34.1Very low29.2Very low115 Ų115135.8 Ų135.870%0.69775%0.753SS**  84.3120.278.7169.50000117.7
184E26.4Very low29.4Very low181 Ų181137.1 Ų137.185%0.84675%0.751SS**  trans175149.6132.6-93.2-67.285.800110.8
185E28Very low29.5Very low170 Ų170140.8 Ų140.879%0.79475%0.748SS**  trans-120.9-162.2174.6-127.8-149.2153.400109.2
186P38.8Very low29.9Very low97 Ų97139.8 Ų139.863%0.6373%0.734SS**  cis-132.3-167.5-14.331.4-8.6000114.1
187S27.1Very low30.1Very low98 Ų98141 Ų14169%0.68573%0.73SS**  trans127.382.2138-56.40000121.2
188I31Very low30.1Very low150 Ų150139 Ų13977%0.76973%0.732SS**  36.5121122-51.8168.1000121.1V190I188-V190 HydrophobicContact CG2-CG2 4.22Å
189K28.3Very low30Very low197 Ų197137.8 Ų137.886%0.85774%0.736SS**  -173.2130.6128-92.7141.1-167.4171.60109.6
190V26.3Very low30.3Very low118 Ų118135.3 Ų135.372%0.71574%0.735SS**  77.6124.452174.80000110.7I188I188-V190 HydrophobicContact CG2-CG2 4.22Å
191L27.9Very low29.7Very low141 Ų141135.7 Ų135.774%0.73874%0.739SS**  cis-158.3157.330.7-166.862.3000115.8
192M26.2Very low29.6Very low150 Ų150138.8 Ų138.874%0.73975%0.751SS**  trans22.4125155.8-64.8170.7175.600126.5
193S32.2Very low29.7Very low104 Ų104138.4 Ų138.473%0.72775%0.754SS**  25.2134.8105.4-43.30000123.9
194L28.5Very low29.9Very low145 Ų145139.2 Ų139.276%0.75976%0.762SS**  158132.1112.1-84.8169.4000116.3
195K30.6Very low30Very low174 Ų174133.7 Ų133.776%0.75775%0.753SS**  trans60.5158.9140.1-75.1-175.7170.2-170.80121.4
196Q34.2Very low30.2Very low124 Ų124133.3 Ų133.358%0.57976%0.756SS**  cis-173.3141.8-13.8165.6176.2-35.300113
197Q31.5Very low29.7Very low162 Ų162135.9 Ų135.976%0.75776%0.76SS**  trans60.5151.6159-74.1165.6-23.400122.9
198V26.7Very low30.1Very low125 Ų125139.1 Ų139.176%0.75877%0.766SS**  154.1111115.91690000114.2
199T26.2Very low30.1Very low135 Ų135135.3 Ų135.383%0.82876%0.756SS**  trans57.2176.6139.5-46.60000122.1
200S31.5Very low30.2Very low99 Ų99134.2 Ų134.269%0.69275%0.754SS**  trans-141152.8-152.857.50000116
201C26.9Very low30.3Very low124 Ų124133.8 Ų133.884%0.83876%0.756SS**  trans-136.2140.9155.9-52.10000107.1
202L29Very low30.6Very low168 Ų168132.2 Ų132.288%0.8876%0.757SS**  cis74.2142.241.3-70.7-179.1000115.9
203T31.6Very low31.1Very low130 Ų130130.6 Ų130.680%0.79876%0.76SS**  trans-84.3169.3-163.548.70000113.8
204P39.3Very low31.8Very low132 Ų132132 Ų13286%0.85777%0.767SS**  -142.7-178107.141.1-29.6000113.8
205G28.4Very low32.4Very low64 Ų64130.5 Ų130.566%0.6677%0.769SS**  trans-170150161.800000111.3
206L31Very low32.9Very low162 Ų162131.7 Ų131.785%0.84877%0.774SS**  trans-172.9154.6158.1-126.874.1000110.3
207E29.5Very low33.6Very low152 Ų152133.8 Ų133.871%0.7179%0.789SS**  trans48.4105.1154.3-54.9-44.99100124
208M36.1Very low34.6Very low166 Ų166137.4 Ų137.482%0.81880%0.796SS**  70.199.1105.4-149.857.5167.900122.9
209A29.6Very low35.9Very low69 Ų69140.5 Ų140.557%0.5780%0.799SS**  92.5159.5126.500000124.2
210H31Very low37.2Very low175 Ų175139.7 Ų139.781%0.8180%0.797SS**  trans85.487.8164.4-59.5-70.6000121.9
211S28.3Very low38.9Very low108 Ų108140.1 Ų140.176%0.75579%0.794SS**  109.9145.3113.577.60000121.8
212S34Very low41.4Very low109 Ų109138.8 Ų138.876%0.76278%0.778SS**  trans53.7103.9157.549.30000121
213S38Very low44Very low115 Ų115137.7 Ų137.780%0.80477%0.766SS**  trans-65.8166.3149.5-46.20000111.6
214P44.9Very low46.5Very low133 Ų133133.7 Ų133.786%0.86474%0.742SS**  -130.3167.7105.837.4-31.7000114.2
215S41.2Very low48.7Very low115 Ų115133.9 Ų133.980%0.80473%0.731SS**  trans-90.5156.7-168.947.20000114.9
216K41.7Very low51.3Low199 Ų199130.9 Ų130.987%0.86570%0.7SS**  trans-136.3145.6149.6-74.1-168.2176.5-1780109R218K216-R218 PolarHBondContact O-N 3.2Å
217D50Low53.6Low168 Ų168128.7 Ų128.790%0.89870%0.696SS**  trans-51.3132.9-172.9-79.8-83.8000114.9
218R50.9Low55.8Low237 Ų237123.6 Ų123.689%0.89467%0.674SS**  trans-130.2114.9159.2-72.6-171.4170.6-167.8-2.7108.2K216K216-R218 PolarHBondContact O-N 3.2Å
219K54.5Low57.7Low190 Ų190116.6 Ų116.683%0.82664%0.642SS**  trans-51137.2174.9-65.4-179.6178-179.10109.5V221K219-V221 PolarHBondContact O-N 2.98Å; K219-V221 VanDerWaalsContact O-N 3.07Å
220P54.5Low59.8Low119 Ų119117 Ų11777%0.77364%0.64SS**  trans-61.7115.9-179.225-33.5000109.7I222P220-I222 PolarHBondContact O-N 3.45Å
221V67.7Low62.2Low107 Ų107112.4 Ų112.465%0.64863%0.625SS**  trans-78.591.4178.9-175.30000108.2K219 K223 T234K219-V221 PolarHBondContact O-N 2.98Å; K219-V221 VanDerWaalsContact O-N 3.07Å; V221-K223 PolarHBondContact O-N 3.33Å; V221-T234 HydrophobicContact CG1-CG2 3.51Å
222I78.4Confident64.8Low97 Ų97110.5 Ų110.550%0.49761%0.611SS.*  trans-55.5124.8178-57.4173.9000108.9P220 V224 Q235P220-I222 PolarHBondContact O-N 3.45Å; I222-V224 HydrophobicContact CG2-CG1 4.26Å; I222-Q235 HydrophobicContact CB-CB 4.3Å; I222-Q235 HydrophobicContact CG2-CB 4.31Å; I222-Q235 PolarHBondContact O-N 3.25Å
223K83.5Confident67.1Low144 Ų144106.1 Ų106.163%0.62658%0.58SS**EExtended strand (participates in β ladder)trans-105.3140169.8-64.8-177.3-176.1179.90108.7V221 V233 T234V221-K223 PolarHBondContact O-N 3.33Å; K223-V233 CarbonylContact C-O 3.59Å; K223-V233 VanDerWaalsContact CA-O 3.3Å; K223-V233 WeakPolarHBondContact CA-O 3.24Å; K223-T234 HydrophobicContact CG-CG2 4.13Å
224V84.3Confident69.5Low47 Ų47102.6 Ų102.629%0.28555%0.554SS.*EExtended strand (participates in β ladder)trans-127144.7177.2-61.50000108.2I222 S232 V233 Q235 I238I222-V224 HydrophobicContact CG2-CG1 4.26Å; V224-S232 CarbonylContact O-C 3.59Å; V224-V233 PolarHBondContact N-O 3.38Å; V224-V233 PolarHBondContact O-N 3.07Å; V224-Q235 HydrophobicContact CG1-CB 4.24Å; V224-Q235 HydrophobicContact CG1-CG 4.18Å; V224-Q235 HydrophobicContact CG2-CB 4.5Å; V224-I238 HydrophobicContact CG2-CB 3.78Å; V224-I238 HydrophobicContact CG2-CD1 4.14Å; V224-I238 HydrophobicContact CG2-CG1 3.79Å; V224-I238 HydrophobicContact CG2-CG2 4.19Å
225E85.1Confident71.5Confident136 Ų136101.4 Ų101.464%0.63654%0.537SS*.EExtended strand (participates in β ladder)trans-81.5139179.3-63.7-174.3169.600110.8P227E225-P227 VanDerWaalsContact O-CD 3.28Å; E225-P227 WeakPolarHBondContact O-CD 3.41Å
226C83.4Confident73.6Confident0 Ų0103.9 Ų103.90%054%0.535CS..  trans-75.2116.1175.8174.70000110.7V228 C229 S230 V231 I238 H241 L242C226-V228 PolarHBondContact O-N 3.07Å; C226-C229 VanDerWaalsContact CB-SG 3.53Å; C226-C229 PolarHBondContact O-N 2.97Å; C226-C229 PolarHBondContact SG-SG 2.91Å; C226-S230 WeakPolarHBondContact O-CA 3.27Å; C226-S230 PolarHBondContact O-N 3.4Å; C226-V231 PolarHBondContact N-O 3.24Å; C226-I238 HydrophobicContact CB-CD1 3.89Å; C226-H241 PolarHBondContact SG-CD2 3.46Å; C226-L242 VanDerWaalsContact SG-CD2 3.52Å
227P79.3Confident75.7Confident117 Ų11799.7 Ų99.776%0.7652%0.517SS*.THydrogen-bonded Turntrans-59.4-12.7-177.6-27.437000115.3E225E225-P227 VanDerWaalsContact O-CD 3.28Å; E225-P227 WeakPolarHBondContact O-CD 3.41Å
228V75.6Confident77.5Confident44 Ų4492.7 Ų92.727%0.26748%0.479SS..THydrogen-bonded Turntrans-106.7-15.3-174.6-1490000113C226 L242 L246 K252 R256C226-V228 PolarHBondContact O-N 3.07Å; V228-L242 HydrophobicContact CG2-CD2 3.62Å; V228-L246 HydrophobicContact CG1-CD2 4.25Å; V228-L246 HydrophobicContact CG2-CD2 4.36Å; V228-K252 VanDerWaalsContact CB-NZ 3.34Å; V228-K252 WeakPolarHBondContact O-CE 3.28Å; V228-R256 PolarHBondContact O-NE 3.37Å; V228-R256 PolarHBondContact O-NH2 3.08Å
229C76.3Confident79.2Confident19 Ų1986.6 Ų86.613%0.12846%0.464CS..THydrogen-bonded Turntrans-142.4-1.2178.173.10000115.5C226 V231 H241C226-C229 VanDerWaalsContact CB-SG 3.53Å; C226-C229 PolarHBondContact O-N 2.97Å; C226-C229 PolarHBondContact SG-SG 2.91Å; C229-V231 PolarHBondContact O-N 3.34Å; C229-H241 PolarHBondContact SG-NE2 3.01Å
230S74.1Confident80.9Confident78 Ų7884.6 Ų84.655%0.54546%0.456SS..  trans59.75-179.3-54.70000116.7C226 S232C226-S230 WeakPolarHBondContact O-CA 3.27Å; C226-S230 PolarHBondContact O-N 3.4Å; S230-S232 PolarHBondContact O-N 2.85Å
231V81.8Confident82.3Confident79 Ų7981.4 Ų81.448%0.47943%0.43SS..  trans-67131.8171.7179.30000109.7C226 C229 V233C226-V231 PolarHBondContact N-O 3.24Å; C229-V231 PolarHBondContact O-N 3.34Å; V231-V233 HydrophobicContact CG1-CG2 4.33Å; V231-V233 PolarHBondContact O-N 3.35Å
232S81Confident83.2Confident68 Ų6878 Ų7848%0.47641%0.408SS..EExtended strand (participates in β ladder)trans-76.5100176.2-32.60000110.8V224 S230V224-S232 CarbonylContact O-C 3.59Å; S230-S232 PolarHBondContact O-N 2.85Å
233V83.7Confident83.5Confident17 Ų1778 Ų7810%0.10341%0.41CS..EExtended strand (participates in β ladder)trans-97.5147.6-179-174.20000109.7K223 V224 V231 F237 I238 H241K223-V233 CarbonylContact C-O 3.59Å; K223-V233 VanDerWaalsContact CA-O 3.3Å; K223-V233 WeakPolarHBondContact CA-O 3.24Å; V224-V233 PolarHBondContact N-O 3.38Å; V224-V233 PolarHBondContact O-N 3.07Å; V231-V233 HydrophobicContact CG1-CG2 4.33Å; V231-V233 PolarHBondContact O-N 3.35Å; V233-F237 HydrophobicContact CG1-CB 3.97Å; V233-I238 HydrophobicContact CB-CD1 4.02Å; V233-I238 HydrophobicContact CG2-CD1 4.26Å; V233-H241 HydrophobicContact CG1-CB 4.02Å; V233-H241 HydrophobicContact CG2-CB 4.09Å
234T88.6Confident83.5Confident41 Ų4175.4 Ų75.425%0.25241%0.406SS..EExtended strand (participates in β ladder)trans-65.6137.4173.447.50000110.4V221 K223 H236 F237 I238V221-T234 HydrophobicContact CG1-CG2 3.51Å; K223-T234 HydrophobicContact CG-CG2 4.13Å; T234-H236 PolarHBondContact O-N 2.83Å; T234-F237 PolarHBondContact O-N 3.02Å; T234-F237 VanDerWaalsContact OG1-CD2 3.25Å; T234-F237 WeakPolarHBondContact OG1-CD2 3.22Å; T234-I238 PolarHBondContact O-N 3.02Å
235Q85.4Confident83.3Confident108 Ų10873.6 Ų73.651%0.50540%0.395SS..THydrogen-bonded Turntrans-55.6-31.2-166.9-172.1-178-0.400114.4I222 V224 F237 I238I222-Q235 HydrophobicContact CB-CB 4.3Å; I222-Q235 HydrophobicContact CG2-CB 4.31Å; I222-Q235 PolarHBondContact O-N 3.25Å; V224-Q235 HydrophobicContact CG1-CB 4.24Å; V224-Q235 HydrophobicContact CG1-CG 4.18Å; V224-Q235 HydrophobicContact CG2-CB 4.5Å; Q235-F237 VanDerWaalsContact C-N 3.33Å; Q235-F237 PolarHBondContact O-N 3.49Å; Q235-I238 VanDerWaalsContact O-CG2 3.24Å; Q235-I238 WeakPolarHBondContact O-CG2 3.21Å
236H85.8Confident83.1Confident167 Ų16772.4 Ų72.477%0.77339%0.392SS*.THydrogen-bonded Turntrans-70.9-25.5176.3-175.661.7000113.8T234T234-H236 PolarHBondContact O-N 2.83Å
237F86.9Confident82.6Confident110 Ų11077.7 Ų77.748%0.48243%0.43SS..THydrogen-bonded Turntrans-103.3-1.7-174.9-67.1-91.3000113.6V233 T234 Q235 N239 K240 H241V233-F237 HydrophobicContact CG1-CB 3.97Å; T234-F237 PolarHBondContact O-N 3.02Å; T234-F237 VanDerWaalsContact OG1-CD2 3.25Å; T234-F237 WeakPolarHBondContact OG1-CD2 3.22Å; Q235-F237 VanDerWaalsContact C-N 3.33Å; Q235-F237 PolarHBondContact O-N 3.49Å; F237-N239 PolarHBondContact O-N 2.87Å; F237-K240 PolarHBondContact O-N 3.21Å; F237-H241 WeakPolarHBondContact O-CB 3.43Å; F237-H241 PolarHBondContact O-N 3.33Å
238I86.1Confident82Confident21 Ų2173.9 Ų73.911%0.10841%0.406CS..Hα-helixtrans-59.3-41.9-176.1-173.357.7000112.7V224 C226 V233 T234 Q235 H241 L242V224-I238 HydrophobicContact CG2-CB 3.78Å; V224-I238 HydrophobicContact CG2-CD1 4.14Å; V224-I238 HydrophobicContact CG2-CG1 3.79Å; V224-I238 HydrophobicContact CG2-CG2 4.19Å; C226-I238 HydrophobicContact CB-CD1 3.89Å; V233-I238 HydrophobicContact CB-CD1 4.02Å; V233-I238 HydrophobicContact CG2-CD1 4.26Å; T234-I238 PolarHBondContact O-N 3.02Å; Q235-I238 VanDerWaalsContact O-CG2 3.24Å; Q235-I238 WeakPolarHBondContact O-CG2 3.21Å; I238-H241 WeakPolarHBondContact O-CB 3.5Å; I238-H241 PolarHBondContact O-N 3.5Å; I238-L242 HydrophobicContact CD1-CD1 4.37Å; I238-L242 HydrophobicContact CD1-CG 4.25Å; I238-L242 HydrophobicContact CG1-CD1 3.95Å; I238-L242 HydrophobicContact CG1-CG 4.32Å; I238-L242 WeakPolarHBondContact O-CB 3.48Å; I238-L242 VanDerWaalsContact O-CG 3.27Å; I238-L242 WeakPolarHBondContact O-CG 3.34Å; I238-L242 PolarHBondContact O-N 3.3Å
239N88Confident81Confident109 Ų10973.9 Ų73.958%0.58342%0.415SS*.Hα-helixtrans-66.3-53.2-179.7-65.5-2.5000111.2F237 H241 L242 D243F237-N239 PolarHBondContact O-N 2.87Å; N239-H241 PolarHBondContact O-N 3.44Å; N239-H241 VanDerWaalsContact O-N 3.15Å; N239-L242 CarbonylContact O-C 3.6Å; N239-L242 WeakPolarHBondContact O-CA 3.5Å; N239-L242 WeakPolarHBondContact O-CB 3.42Å; N239-L242 PolarHBondContact O-N 2.8Å; N239-D243 PolarHBondContact O-N 2.8Å; N239-D243 VanDerWaalsContact O-OD2 3.05Å
240K88.7Confident80.1Confident149 Ų14982 Ų8265%0.64845%0.45SS*.Hα-helixtrans-54.8-37.4175-178.4176.1-178.6175.70112.4F237 T244F237-K240 PolarHBondContact O-N 3.21Å; K240-T244 PolarHBondContact O-N 2.84Å; K240-T244 PolarHBondContact O-OG1 3.17Å
241H85.8Confident79Confident51 Ų5185.8 Ų85.824%0.23646%0.457CS..Hα-helixtrans-65.3-50.6172.4175.292.4000111.1C226 C229 V233 F237 I238 N239 D243 T244 C245C226-H241 PolarHBondContact SG-CD2 3.46Å; C229-H241 PolarHBondContact SG-NE2 3.01Å; V233-H241 HydrophobicContact CG1-CB 4.02Å; V233-H241 HydrophobicContact CG2-CB 4.09Å; F237-H241 WeakPolarHBondContact O-CB 3.43Å; F237-H241 PolarHBondContact O-N 3.33Å; I238-H241 WeakPolarHBondContact O-CB 3.5Å; I238-H241 PolarHBondContact O-N 3.5Å; N239-H241 PolarHBondContact O-N 3.44Å; N239-H241 VanDerWaalsContact O-N 3.15Å; H241-D243 PolarHBondContact O-N 3.46Å; H241-T244 WeakPolarHBondContact O-CB 3.49Å; H241-T244 PolarHBondContact O-N 2.82Å; H241-C245 PolarHBondContact NE2-SG 3.02Å; H241-C245 VanDerWaalsContact O-CB 3.23Å; H241-C245 WeakPolarHBondContact O-CB 3.34Å; H241-C245 PolarHBondContact O-N 3.48Å
242L85Confident77.7Confident35 Ų3582.4 Ų82.418%0.18344%0.436CS..Hα-helixtrans-54.5-48.3178.8-78.4165.9000112.1C226 V228 I238 N239 T244 C245 L246C226-L242 VanDerWaalsContact SG-CD2 3.52Å; V228-L242 HydrophobicContact CG2-CD2 3.62Å; I238-L242 HydrophobicContact CD1-CD1 4.37Å; I238-L242 HydrophobicContact CD1-CG 4.25Å; I238-L242 HydrophobicContact CG1-CD1 3.95Å; I238-L242 HydrophobicContact CG1-CG 4.32Å; I238-L242 WeakPolarHBondContact O-CB 3.48Å; I238-L242 VanDerWaalsContact O-CG 3.27Å; I238-L242 WeakPolarHBondContact O-CG 3.34Å; I238-L242 PolarHBondContact O-N 3.3Å; N239-L242 CarbonylContact O-C 3.6Å; N239-L242 WeakPolarHBondContact O-CA 3.5Å; N239-L242 WeakPolarHBondContact O-CB 3.42Å; N239-L242 PolarHBondContact O-N 2.8Å; L242-T244 PolarHBondContact O-N 2.96Å; L242-C245 CarbonylContact O-C 3.55Å; L242-C245 WeakPolarHBondContact O-CA 3.43Å; L242-C245 WeakPolarHBondContact O-CB 3.21Å; L242-C245 PolarHBondContact O-N 2.97Å; L242-C245 VanDerWaalsContact O-N 3.09Å; L242-L246 WeakPolarHBondContact O-CB 3.39Å; L242-L246 VanDerWaalsContact O-CG 3.28Å; L242-L246 WeakPolarHBondContact O-CG 3.11Å; L242-L246 PolarHBondContact O-N 2.79Å
243D86.1Confident76.2Confident99 Ų9986.8 Ų86.853%0.52945%0.449SS..Hα-helixtrans-54.8-55177.5-54.8-37.7000110.2N239 H241 C245 L246 S247N239-D243 PolarHBondContact O-N 2.8Å; N239-D243 VanDerWaalsContact O-OD2 3.05Å; H241-D243 PolarHBondContact O-N 3.46Å; D243-C245 VanDerWaalsContact C-N 3.27Å; D243-C245 PolarHBondContact O-N 2.98Å; D243-L246 PolarHBondContact O-N 3.44Å; D243-S247 PolarHBondContact O-N 3.19Å; D243-S247 VanDerWaalsContact O-N 3.08Å; D243-S247 PolarHBondContact O-OG 3Å
244T82.4Confident74.6Confident88 Ų8890.4 Ų90.454%0.5448%0.475SS..Hα-helixtrans-56.2-42.2175.9-50.70000111.6K240 H241 L242 S248K240-T244 PolarHBondContact O-N 2.84Å; K240-T244 PolarHBondContact O-OG1 3.17Å; H241-T244 WeakPolarHBondContact O-CB 3.49Å; H241-T244 PolarHBondContact O-N 2.82Å; L242-T244 PolarHBondContact O-N 2.96Å; T244-S248 VanDerWaalsContact O-CB 3.31Å; T244-S248 WeakPolarHBondContact O-CB 3.47Å; T244-S248 PolarHBondContact O-N 3.27Å; T244-S248 VanDerWaalsContact O-N 3.1Å; T244-S248 PolarHBondContact O-OG 3.38Å
245C80.6Confident72.6Confident10 Ų1094.1 Ų94.17%0.06849%0.493CS..Hα-helixtrans-68.9-34.4-177.7-126.80000112.5H241 L242 D243 K252H241-C245 PolarHBondContact NE2-SG 3.02Å; H241-C245 VanDerWaalsContact O-CB 3.23Å; H241-C245 WeakPolarHBondContact O-CB 3.34Å; H241-C245 PolarHBondContact O-N 3.48Å; L242-C245 CarbonylContact O-C 3.55Å; L242-C245 WeakPolarHBondContact O-CA 3.43Å; L242-C245 WeakPolarHBondContact O-CB 3.21Å; L242-C245 PolarHBondContact O-N 2.97Å; L242-C245 VanDerWaalsContact O-N 3.09Å; D243-C245 VanDerWaalsContact C-N 3.27Å; D243-C245 PolarHBondContact O-N 2.98Å; C245-K252 VanDerWaalsContact C-NZ 3.26Å; C245-K252 WeakPolarHBondContact O-CE 3.32Å; C245-K252 PolarHBondContact O-NZ 3.22Å; C245-K252 WeakPolarHBondContact SG-CE 3.36Å; C245-K252 PolarHBondContact SG-NZ 3.18Å
246L80.4Confident70.8Confident110 Ų11095 Ų9558%0.57649%0.491SS*.Hα-helixtrans-75.7-42.5179.7-72.3166.2000110.1V228 L242 D243 S248V228-L246 HydrophobicContact CG1-CD2 4.25Å; V228-L246 HydrophobicContact CG2-CD2 4.36Å; L242-L246 WeakPolarHBondContact O-CB 3.39Å; L242-L246 VanDerWaalsContact O-CG 3.28Å; L242-L246 WeakPolarHBondContact O-CG 3.11Å; L242-L246 PolarHBondContact O-N 2.79Å; D243-L246 PolarHBondContact O-N 3.44Å; L246-S248 VanDerWaalsContact C-N 3.27Å; L246-S248 PolarHBondContact O-N 3.17Å
247S73.9Confident68.9Low112 Ų11289.6 Ų89.678%0.78347%0.473SS*.Hα-helixtrans-65.8-23.8173.3-56.10000114D243 G249D243-S247 PolarHBondContact O-N 3.19Å; D243-S247 VanDerWaalsContact O-N 3.08Å; D243-S247 PolarHBondContact O-OG 3Å; S247-G249 PolarHBondContact O-N 3.3Å
248S65Low66.9Low37 Ų3789 Ų8926%0.25948%0.482SS..THydrogen-bonded Turntrans-96.630.2-177.1820000114.6T244 L246 E250 K251 K252T244-S248 VanDerWaalsContact O-CB 3.31Å; T244-S248 WeakPolarHBondContact O-CB 3.47Å; T244-S248 PolarHBondContact O-N 3.27Å; T244-S248 VanDerWaalsContact O-N 3.1Å; T244-S248 PolarHBondContact O-OG 3.38Å; L246-S248 VanDerWaalsContact C-N 3.27Å; L246-S248 PolarHBondContact O-N 3.17Å; S248-E250 PolarHBondContact O-N 2.56Å; S248-K251 PolarHBondContact O-N 3.12Å; S248-K251 VanDerWaalsContact O-N 3.14Å; S248-K252 PolarHBondContact O-N 3.21Å
249G55.8Low65Low44 Ų4496.2 Ų96.245%0.45452%0.516SS..THydrogen-bonded Turntrans-48.3-46.3-167.600000115.7S247 K252S247-G249 PolarHBondContact O-N 3.3Å; G249-K252 WeakPolarHBondContact O-CB 3.49Å; G249-K252 PolarHBondContact O-N 2.91Å; G249-K252 VanDerWaalsContact O-N 3.16Å
250E56.9Low63.1Low188 Ų18893.1 Ų93.188%0.87951%0.509SS*.THydrogen-bonded Turntrans-68.5-37.9-177-58.7174.4134.300112.9S248 K252S248-E250 PolarHBondContact O-N 2.56Å; E250-K252 PolarHBondContact O-N 3.17Å
251K51.9Low61.4Low158 Ų15891.7 Ų91.769%0.68751%0.513SS*.Hα-helixtrans-72.6-11175.1-74.6178.6176.5172.40113S248 E253 S254 L255S248-K251 PolarHBondContact O-N 3.12Å; S248-K251 VanDerWaalsContact O-N 3.14Å; K251-E253 VanDerWaalsContact C-N 3.32Å; K251-E253 PolarHBondContact O-N 3.13Å; K251-S254 PolarHBondContact O-N 2.8Å; K251-L255 PolarHBondContact O-N 2.69Å
252K52.7Low60.2Low8 Ų893.3 Ų93.34%0.03553%0.527CS..Hα-helixtrans-72.8-26.9-176.1-149.8169.4-157.9161.10112.9V228 C245 S248 G249 E250 L255 R256V228-K252 VanDerWaalsContact CB-NZ 3.34Å; V228-K252 WeakPolarHBondContact O-CE 3.28Å; C245-K252 VanDerWaalsContact C-NZ 3.26Å; C245-K252 WeakPolarHBondContact O-CE 3.32Å; C245-K252 PolarHBondContact O-NZ 3.22Å; C245-K252 WeakPolarHBondContact SG-CE 3.36Å; C245-K252 PolarHBondContact SG-NZ 3.18Å; S248-K252 PolarHBondContact O-N 3.21Å; G249-K252 WeakPolarHBondContact O-CB 3.49Å; G249-K252 PolarHBondContact O-N 2.91Å; G249-K252 VanDerWaalsContact O-N 3.16Å; E250-K252 PolarHBondContact O-N 3.17Å; K252-L255 PolarHBondContact O-N 3.33Å; K252-R256 PolarHBondContact O-N 3.35Å
253E50.3Low59.9Low160 Ų16094 Ų9475%0.74853%0.529SS*.Hα-helixtrans-66.9-41175-156.9149.9-125.400110.7K251 L255 R256K251-E253 VanDerWaalsContact C-N 3.32Å; K251-E253 PolarHBondContact O-N 3.13Å; E253-L255 VanDerWaalsContact C-N 3.3Å; E253-L255 PolarHBondContact O-N 3.25Å; E253-R256 PolarHBondContact O-N 3.04Å
254S49.7Very low59.8Low93 Ų9399.4 Ų99.465%0.6554%0.543SS*.Hα-helixtrans-63.9-30.7170.8-49.90000113.7K251 S257K251-S254 PolarHBondContact O-N 2.8Å; S254-S257 WeakPolarHBondContact O-CB 3.49Å
255L46.6Very low60Low119 Ų11999 Ų9962%0.62354%0.541SS*.Hα-helixtrans-85.1-23.1-178.8-68.2177000114K251 K252 E253 S257K251-L255 PolarHBondContact O-N 2.69Å; K252-L255 PolarHBondContact O-N 3.33Å; E253-L255 VanDerWaalsContact C-N 3.3Å; E253-L255 PolarHBondContact O-N 3.25Å; L255-S257 PolarHBondContact O-N 2.74Å
256R47.4Very low60.4Low126 Ų126101.4 Ų101.448%0.47555%0.552SS.*Hα-helixtrans-75.8-8.6168.9-67.5-170.9-167.4113.2-8.1113.3V228 K252 E253 S258 Q259V228-R256 PolarHBondContact O-NE 3.37Å; V228-R256 PolarHBondContact O-NH2 3.08Å; K252-R256 PolarHBondContact O-N 3.35Å; E253-R256 PolarHBondContact O-N 3.04Å; R256-S258 PolarHBondContact O-N 2.78Å; R256-Q259 PolarHBondContact O-N 3.38Å
257S46.3Very low60.7Low54 Ų5499.9 Ų99.938%0.37856%0.556SS.*THydrogen-bonded Turntrans-61.6-5.8176.7-163.10000114.7S254 L255 T262S254-S257 WeakPolarHBondContact O-CB 3.49Å; L255-S257 PolarHBondContact O-N 2.74Å; S257-T262 PolarHBondContact OG-OG1 2.86Å; S257-T262 VanDerWaalsContact OG-OG1 3.12Å
258S45.8Very low61.3Low98 Ų9898.9 Ų98.969%0.68554%0.537SS*.THydrogen-bonded Turntrans-81.8-14.5174.759.30000114.5R256R256-S258 PolarHBondContact O-N 2.78Å
259Q46.1Very low62.3Low173 Ų17399.2 Ų99.281%0.80854%0.536SS*.SBendtrans-98.18.2-175.2-14070.119.600114.2R256R256-Q259 PolarHBondContact O-N 3.38Å
260G47.5Very low64Low43 Ų43101.9 Ų101.944%0.44354%0.543SS..SBendtrans-155.7146.5174.900000111.1T262G260-T262 PolarHBondContact O-N 2.83Å
261T52.1Low65.6Low119 Ų11993.7 Ų93.773%0.7350%0.504SS*.  trans-7669.6-175.7-44.90000111.5M263T261-M263 HydrophobicContact CG2-CE 4.48Å; T261-M263 PolarHBondContact O-N 3.28Å
262T62.2Low67.4Low86 Ų8692.9 Ų92.953%0.52851%0.507SS..  trans-66.598.7179.756.10000110.4S257 G260 R264S257-T262 PolarHBondContact OG-OG1 2.86Å; S257-T262 VanDerWaalsContact OG-OG1 3.12Å; G260-T262 PolarHBondContact O-N 2.83Å; T262-R264 PolarHBondContact O-N 3.32Å
263M77.6Confident69.2Low49 Ų4999.9 Ų99.924%0.24154%0.544CS..PPolyproline II helixtrans-55.6133.7169.9-65.5-87.884.800109.4T261 Y308 C312 P317T261-M263 HydrophobicContact CG2-CE 4.48Å; T261-M263 PolarHBondContact O-N 3.28Å; M263-Y308 HydrophobicContact SD-CE2 3.62Å; M263-Y308 PolarHBondContact SD-OH 3.46Å; M263-Y308 VanDerWaalsContact SD-OH 3.38Å; M263-C312 HydrophobicContact CB-CB 4.27Å; M263-C312 VanDerWaalsContact CB-SG 3.54Å; M263-P317 HydrophobicContact CG-CB 4Å; M263-P317 HydrophobicContact CG-CG 4.26Å
264R84.6Confident71Confident213 Ų21393.5 Ų93.580%0.80452%0.515SS*.PPolyproline II helixtrans-95.4120-179.6-69.5-174.9177.9-173.40.4109.2T262 M266 Y308T262-R264 PolarHBondContact O-N 3.32Å; R264-M266 PolarHBondContact O-N 2.94Å; R264-Y308 WeakPolarHBondContact O-CE1 3.35Å
265P87.4Confident73.1Confident79 Ų7991.3 Ų91.351%0.51350%0.5SS..PPolyproline II helixtrans-51.8137-178.4-2934.8000113.7C312P265-C312 HydrophobicContact CG-CB 3.89Å
266M88.9Confident75.3Confident60 Ų6088.6 Ų88.630%0.29649%0.488SS..PPolyproline II helixtrans-77.3138.7175.8-64.6178.488.400110.8R264 F304 V305 Y308 N309R264-M266 PolarHBondContact O-N 2.94Å; M266-F304 HydrophobicContact CE-CE1 4.46Å; M266-F304 HydrophobicContact SD-CD1 4.18Å; M266-F304 HydrophobicContact SD-CE1 3.79Å; M266-V305 HydrophobicContact CB-CG1 4.27Å; M266-V305 HydrophobicContact CB-CG2 4.31Å; M266-V305 HydrophobicContact CE-CG2 4.45Å; M266-V305 HydrophobicContact SD-CG2 4.11Å; M266-Y308 HydrophobicContact CB-CD1 4.4Å; M266-Y308 HydrophobicContact CG-CD1 3.59Å; M266-Y308 HydrophobicContact CG-CE1 3.68Å; M266-Y308 HydrophobicContact CG-CG 4.44Å; M266-Y308 HydrophobicContact SD-CD1 3.81Å; M266-Y308 HydrophobicContact SD-CE1 4.25Å; M266-Y308 HydrophobicContact SD-CG 4.07Å; M266-N309 PolarHBondContact N-OD1 3.48Å; M266-N309 PolarHBondContact O-ND2 2.88Å; M266-N309 PolarHBondContact O-OD1 3.43Å
267A86.8Confident77.5Confident79 Ų7990.1 Ų90.165%0.65350%0.501SS*.PPolyproline II helixtrans-66.4139.2173.700000111.5
268K84.6Confident79.7Confident91 Ų9190 Ų9040%0.39650%0.496SS..PPolyproline II helixtrans-66.2133.3170.7-73.6171.9168.9170.10109.7E68E68-K268 IonicContact OE1-NZ 3.89Å; E68-K268 WeakPolarHBondContact OE2-CE 3.37Å; E68-K268 IonicContact OE2-NZ 3.11Å; E68-K268 PolarHBondContact OE2-NZ 3.29Å
269L87.6Confident82Confident44 Ų4485.3 Ų85.323%0.2346%0.463CS..  trans-104.2145.7-176-64.6173.1000112.2Y271 L274L269-Y271 HydrophobicContact CB-CE1 4.34Å; L269-Y271 HydrophobicContact CB-CE2 4.15Å; L269-Y271 WeakPolarHBondContact O-CD2 3.43Å; L269-Y271 WeakPolarHBondContact O-CE2 3.42Å; L269-Y271 PolarHBondContact O-N 2.99Å; L269-L274 HydrophobicContact CB-CD1 4.03Å; L269-L274 HydrophobicContact CD1-CD1 3.95Å; L269-L274 HydrophobicContact CG-CD1 4.43Å
270V91.1Very high84.3Confident99 Ų9980.8 Ų80.860%0.644%0.441SS*.  trans-88.689.2169.9-176.70000108.9N272 L273V270-N272 PolarHBondContact O-N 2.69Å; V270-N272 VanDerWaalsContact O-N 3.15Å; V270-L273 HydrophobicContact CB-CD1 4.42Å; V270-L273 HydrophobicContact CG1-CD1 4.11Å; V270-L273 HydrophobicContact CG1-CG 4.09Å; V270-L273 PolarHBondContact O-N 2.77Å
271Y90.6Very high86.5Confident17 Ų1785.8 Ų85.87%0.06745%0.446CS..G310 helixtrans-59.7-27.1-171.1-64.9-87.9000114.8L269 L273 L274 L279 R294 I298 H301 K302L269-Y271 HydrophobicContact CB-CE1 4.34Å; L269-Y271 HydrophobicContact CB-CE2 4.15Å; L269-Y271 WeakPolarHBondContact O-CD2 3.43Å; L269-Y271 WeakPolarHBondContact O-CE2 3.42Å; L269-Y271 PolarHBondContact O-N 2.99Å; Y271-L273 PolarHBondContact O-N 2.99Å; Y271-L274 HydrophobicContact CD1-CD1 4.44Å; Y271-L274 PolarHBondContact O-N 2.97Å; Y271-L274 VanDerWaalsContact O-N 3.12Å; Y271-L279 HydrophobicContact CD1-CD1 4.17Å; Y271-L279 HydrophobicContact CE1-CD1 4.27Å; Y271-R294 PolarHBondContact O-NH2 3.06Å; Y271-I298 HydrophobicContact CD1-CB 4.29Å; Y271-I298 HydrophobicContact CD1-CG1 4.02Å; Y271-I298 HydrophobicContact CD1-CG2 3.89Å; Y271-I298 HydrophobicContact CD2-CG2 4.2Å; Y271-I298 HydrophobicContact CE1-CG2 4.49Å; Y271-I298 HydrophobicContact CG-CG1 4.27Å; Y271-I298 HydrophobicContact CG-CG2 3.73Å; Y271-H301 HydrophobicContact CE1-CB 4Å; Y271-H301 AromaticContact CE1-CG 3.89Å; Y271-H301 PolarHBondContact OH-ND1 3.03Å; Y271-K302 HydrophobicContact CD2-CD 4.38Å; Y271-K302 HydrophobicContact CD2-CG 4.12Å; Y271-K302 HydrophobicContact CE1-CG 4.39Å; Y271-K302 HydrophobicContact CE2-CD 4.09Å; Y271-K302 HydrophobicContact CE2-CG 3.39Å
272N88.9Confident88.5Confident141 Ų14184.8 Ų84.875%0.75443%0.429SS*.G310 helixtrans-60.6-32.6179.7-619.7000111.9V270V270-N272 PolarHBondContact O-N 2.69Å; V270-N272 VanDerWaalsContact O-N 3.15Å
273L90.3Very high90Very high154 Ų15480.7 Ų80.781%0.80640%0.404SS*.G310 helixtrans-87.2-7.6-179.5-57177.9000113.8V270 Y271V270-L273 HydrophobicContact CB-CD1 4.42Å; V270-L273 HydrophobicContact CG1-CD1 4.11Å; V270-L273 HydrophobicContact CG1-CG 4.09Å; V270-L273 PolarHBondContact O-N 2.77Å; Y271-L273 PolarHBondContact O-N 2.99Å
274L90Very high90.8Very high26 Ų2685.1 Ų85.114%0.13642%0.422CS..SBendtrans-90.9131.2-178.6-78.8163.5000111.2L269 Y271 D278 R294L269-L274 HydrophobicContact CB-CD1 4.03Å; L269-L274 HydrophobicContact CD1-CD1 3.95Å; L269-L274 HydrophobicContact CG-CD1 4.43Å; Y271-L274 HydrophobicContact CD1-CD1 4.44Å; Y271-L274 PolarHBondContact O-N 2.97Å; Y271-L274 VanDerWaalsContact O-N 3.12Å; L274-D278 HydrophobicContact CD2-CB 4.06Å; L274-R294 VanDerWaalsContact O-CZ 3.32Å; L274-R294 PolarHBondContact O-NH1 3.03Å; L274-R294 PolarHBondContact O-NH2 3.11Å
275S92.6Very high91.1Very high47 Ų4780 Ų8033%0.32941%0.41SS..  trans-65.7159.6172.985.70000111.3Q277 D278 L279S275-Q277 PolarHBondContact O-N 3.02Å; S275-Q277 PolarHBondContact OG-N 2.89Å; S275-D278 WeakPolarHBondContact CB-OD2 3.37Å; S275-D278 PolarHBondContact O-N 3.29Å; S275-D278 VanDerWaalsContact OG-CG 3.25Å; S275-D278 PolarHBondContact OG-N 2.95Å; S275-D278 PolarHBondContact OG-OD2 3.5Å; S275-L279 WeakPolarHBondContact O-CB 3.45Å; S275-L279 PolarHBondContact O-N 3.23Å
276V92.8Very high91.3Very high62 Ų6276.6 Ų76.638%0.37639%0.389SS..Hα-helixtrans-63.5-29.4173.6177.80000111.2K280 R294 L297V276-K280 HydrophobicContact CG1-CD 4.35Å; V276-K280 WeakPolarHBondContact O-CB 3.33Å; V276-K280 VanDerWaalsContact O-CG 3.31Å; V276-K280 WeakPolarHBondContact O-CG 3.46Å; V276-K280 PolarHBondContact O-N 2.81Å; V276-R294 HydrophobicContact CG2-CB 4.42Å; V276-R294 HydrophobicContact CG2-CG 4.22Å; V276-L297 HydrophobicContact CG1-CD1 4.37Å
277Q93.4Very high91.5Very high158 Ų15879.3 Ų79.374%0.73840%0.4SS*.Hα-helixtrans-70.3-43.1176.7-62.6-174.74.100111.6S275 K280 R281S275-Q277 PolarHBondContact O-N 3.02Å; S275-Q277 PolarHBondContact OG-N 2.89Å; Q277-K280 PolarHBondContact O-N 2.8Å; Q277-R281 WeakPolarHBondContact O-CB 3.47Å; Q277-R281 PolarHBondContact O-N 3.09Å
278D92.7Very high91.8Very high51 Ų5176 Ų7627%0.27337%0.371SS..Hα-helixtrans-71.5-34.9179.4-59.5-54.1000112.4L274 S275 R281 R282L274-D278 HydrophobicContact CD2-CB 4.06Å; S275-D278 WeakPolarHBondContact CB-OD2 3.37Å; S275-D278 PolarHBondContact O-N 3.29Å; S275-D278 VanDerWaalsContact OG-CG 3.25Å; S275-D278 PolarHBondContact OG-N 2.95Å; S275-D278 PolarHBondContact OG-OD2 3.5Å; D278-R281 WeakPolarHBondContact O-CB 3.43Å; D278-R281 PolarHBondContact O-N 3Å; D278-R281 IonicContact OD1-CZ 3.5Å; D278-R281 IonicContact OD1-NE 3.56Å; D278-R281 IonicContact OD1-NH2 2.71Å; D278-R281 PolarHBondContact OD1-NH2 3.07Å; D278-R282 VanDerWaalsContact O-CG 3.3Å; D278-R282 WeakPolarHBondContact O-CG 3.36Å; D278-R282 PolarHBondContact O-N 3Å
279L94.3Very high92.2Very high1 Ų173.4 Ų73.41%0.00537%0.365CS..Hα-helixtrans-63.7-44.5171.3-178.761.6000111.4Y271 S275 R281 R282 L283 L297 I298 H301Y271-L279 HydrophobicContact CD1-CD1 4.17Å; Y271-L279 HydrophobicContact CE1-CD1 4.27Å; S275-L279 WeakPolarHBondContact O-CB 3.45Å; S275-L279 PolarHBondContact O-N 3.23Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.41Å; L279-R282 PolarHBondContact O-N 3.24Å; L279-L283 HydrophobicContact CG-CD1 4.47Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 2.87Å; L279-L297 HydrophobicContact CD2-CB 3.51Å; L279-L297 HydrophobicContact CD2-CD1 4.45Å; L279-L297 HydrophobicContact CG-CB 3.93Å; L279-I298 HydrophobicContact CD2-CG1 3.58Å; L279-H301 HydrophobicContact CD1-CB 4.11Å
280K93.7Very high92.5Very high78 Ų7875 Ų7534%0.33937%0.372SS..Hα-helixtrans-63.3-37.3173.4-79.2-176.1177-1710112.6V276 Q277 K284 M290 L297V276-K280 HydrophobicContact CG1-CD 4.35Å; V276-K280 WeakPolarHBondContact O-CB 3.33Å; V276-K280 VanDerWaalsContact O-CG 3.31Å; V276-K280 WeakPolarHBondContact O-CG 3.46Å; V276-K280 PolarHBondContact O-N 2.81Å; Q277-K280 PolarHBondContact O-N 2.8Å; K280-K284 PolarHBondContact O-N 2.76Å; K280-K284 VanDerWaalsContact O-N 3.09Å; K280-M290 HydrophobicContact CB-CE 3.84Å; K280-M290 VanDerWaalsContact CE-O 3.28Å; K280-M290 WeakPolarHBondContact CE-O 3.31Å; K280-M290 HydrophobicContact CG-CB 4.33Å; K280-L297 HydrophobicContact CD-CD1 4.43Å; K280-L297 HydrophobicContact CG-CD1 3.83Å
281R94.9Very high92.5Very high148 Ų14877.6 Ų77.656%0.55838%0.378SS*.Hα-helixtrans-59.1-55.8173.4-162.5-165-45.2-140.47.8110.3Q277 D278 L279 L283 K284 D285Q277-R281 WeakPolarHBondContact O-CB 3.47Å; Q277-R281 PolarHBondContact O-N 3.09Å; D278-R281 WeakPolarHBondContact O-CB 3.43Å; D278-R281 PolarHBondContact O-N 3Å; D278-R281 IonicContact OD1-CZ 3.5Å; D278-R281 IonicContact OD1-NE 3.56Å; D278-R281 IonicContact OD1-NH2 2.71Å; D278-R281 PolarHBondContact OD1-NH2 3.07Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.41Å; R281-L283 VanDerWaalsContact C-N 3.32Å; R281-L283 PolarHBondContact O-N 2.84Å; R281-K284 WeakPolarHBondContact O-CA 3.32Å; R281-K284 VanDerWaalsContact O-CB 3.31Å; R281-K284 WeakPolarHBondContact O-CB 3.3Å; R281-K284 PolarHBondContact O-N 2.99Å; R281-D285 PolarHBondContact O-N 3.48Å; R281-D285 VanDerWaalsContact O-OD2 3.14Å
282R92.8Very high92.5Very high98 Ų9879 Ų7937%0.3740%0.397SS..Hα-helixtrans-59.5-38179.9-68.4171.3-178.1-76.3-1.3113.4D278 L279 D285 C286 H301D278-R282 VanDerWaalsContact O-CG 3.3Å; D278-R282 WeakPolarHBondContact O-CG 3.36Å; D278-R282 PolarHBondContact O-N 3Å; L279-R282 PolarHBondContact O-N 3.24Å; R282-D285 WeakPolarHBondContact CA-OD2 3.15Å; R282-D285 PolarHBondContact O-N 2.77Å; R282-C286 WeakPolarHBondContact O-CB 3.27Å; R282-C286 PolarHBondContact O-N 2.95Å; R282-C286 PolarHBondContact O-SG 2.91Å; R282-H301 WeakPolarHBondContact CB-NE2 3.28Å
283L94.7Very high92.8Very high0 Ų075 Ų750%038%0.38CS..Hα-helixtrans-62.6-44.3173.4-74.4169.3000111.6L279 R281 D285 C286 H287 L288 L297 R300 H301L279-L283 HydrophobicContact CG-CD1 4.47Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 2.87Å; R281-L283 VanDerWaalsContact C-N 3.32Å; R281-L283 PolarHBondContact O-N 2.84Å; L283-D285 VanDerWaalsContact C-N 3.34Å; L283-D285 PolarHBondContact O-N 2.73Å; L283-C286 CarbonylContact O-C 3.43Å; L283-C286 PolarHBondContact O-N 3.04Å; L283-C286 VanDerWaalsContact O-N 3.11Å; L283-H287 PolarHBondContact O-N 3.18Å; L283-L288 HydrophobicContact CB-CB 4.21Å; L283-L288 HydrophobicContact CD2-CB 3.79Å; L283-L288 HydrophobicContact CD2-CD1 3.56Å; L283-L288 HydrophobicContact CD2-CG 4.34Å; L283-L288 PolarHBondContact O-N 2.71Å; L283-L297 HydrophobicContact CD1-CB 3.73Å; L283-L297 HydrophobicContact CD1-CD2 3.51Å; L283-L297 HydrophobicContact CD1-CG 4.12Å; L283-R300 HydrophobicContact CD2-CB 4.25Å; L283-R300 HydrophobicContact CD2-CG 4.18Å; L283-H301 HydrophobicContact CD2-CB 3.89Å
284K94Very high92.9Very high142 Ų14271.3 Ų71.362%0.61736%0.355SS*.Hα-helixtrans-60.4-43.3173.5-172.2-174.7174.1-174.40111.8K280 R281 C286 H287 M290K280-K284 PolarHBondContact O-N 2.76Å; K280-K284 VanDerWaalsContact O-N 3.09Å; R281-K284 WeakPolarHBondContact O-CA 3.32Å; R281-K284 VanDerWaalsContact O-CB 3.31Å; R281-K284 WeakPolarHBondContact O-CB 3.3Å; R281-K284 PolarHBondContact O-N 2.99Å; K284-C286 PolarHBondContact O-N 3.14Å; K284-H287 PolarHBondContact O-N 2.56Å; K284-M290 HydrophobicContact CB-CE 4.41Å; K284-M290 HydrophobicContact CB-CG 4.4Å; K284-M290 HydrophobicContact CB-SD 3.9Å; K284-M290 HydrophobicContact CD-SD 4.32Å; K284-M290 HydrophobicContact CG-SD 4.24Å
285D91.9Very high93Very high104 Ų10475.3 Ų75.356%0.55638%0.377SS*.Hα-helixtrans-63.6-21.9177.1-52.4-32.2000112.3R281 R282 L283R281-D285 PolarHBondContact O-N 3.48Å; R281-D285 VanDerWaalsContact O-OD2 3.14Å; R282-D285 WeakPolarHBondContact CA-OD2 3.15Å; R282-D285 PolarHBondContact O-N 2.77Å; L283-D285 VanDerWaalsContact C-N 3.34Å; L283-D285 PolarHBondContact O-N 2.73Å
286C91.8Very high93Very high9 Ų977.3 Ų77.36%0.06138%0.381CS..THydrogen-bonded Turntrans-100.411.4175.6-59.60000113.6R282 L283 K284 L288 F304R282-C286 WeakPolarHBondContact O-CB 3.27Å; R282-C286 PolarHBondContact O-N 2.95Å; R282-C286 PolarHBondContact O-SG 2.91Å; L283-C286 CarbonylContact O-C 3.43Å; L283-C286 PolarHBondContact O-N 3.04Å; L283-C286 VanDerWaalsContact O-N 3.11Å; K284-C286 PolarHBondContact O-N 3.14Å; C286-L288 VanDerWaalsContact C-N 3.26Å; C286-L288 HydrophobicContact CB-CD1 3.87Å; C286-L288 HydrophobicContact CB-CG 4.27Å; C286-L288 PolarHBondContact O-N 3.44Å; C286-F304 HydrophobicContact CB-CD1 4.09Å; C286-F304 HydrophobicContact CB-CE1 3.71Å; C286-F304 HydrophobicContact CB-CE2 4.19Å; C286-F304 HydrophobicContact CB-CZ 3.76Å
287H92.4Very high93.1Very high117 Ų11774.4 Ų74.454%0.54236%0.363SS..THydrogen-bonded Turntrans59.128.3-176.9-57.4-93.3000115.3L283 K284 A324L283-H287 PolarHBondContact O-N 3.18Å; K284-H287 PolarHBondContact O-N 2.56Å; H287-A324 HydrophobicContact CB-CB 4.25Å
288L93.1Very high93.1Very high8 Ų867.6 Ų67.64%0.04233%0.332CS..  trans-103.5150.6-179.9-67.3162.4000112.6L283 C286 M290 R300 F304 A324 V327 E328L283-L288 HydrophobicContact CB-CB 4.21Å; L283-L288 HydrophobicContact CD2-CB 3.79Å; L283-L288 HydrophobicContact CD2-CD1 3.56Å; L283-L288 HydrophobicContact CD2-CG 4.34Å; L283-L288 PolarHBondContact O-N 2.71Å; C286-L288 VanDerWaalsContact C-N 3.26Å; C286-L288 HydrophobicContact CB-CD1 3.87Å; C286-L288 HydrophobicContact CB-CG 4.27Å; C286-L288 PolarHBondContact O-N 3.44Å; L288-M290 PolarHBondContact O-N 3.28Å; L288-R300 HydrophobicContact CD1-CG 4.29Å; L288-R300 HydrophobicContact CD2-CG 4.12Å; L288-F304 HydrophobicContact CD1-CB 3.71Å; L288-F304 HydrophobicContact CD1-CD1 4.46Å; L288-F304 HydrophobicContact CD1-CD2 3.72Å; L288-F304 HydrophobicContact CD1-CE2 4.46Å; L288-F304 HydrophobicContact CD1-CG 3.72Å; L288-F304 HydrophobicContact CD2-CD2 4.21Å; L288-F304 HydrophobicContact CG-CD2 4.17Å; L288-A324 HydrophobicContact CD2-CB 3.96Å; L288-A324 HydrophobicContact CG-CB 4.32Å; L288-V327 HydrophobicContact CD2-CB 4.13Å; L288-V327 HydrophobicContact CD2-CG1 4.06Å; L288-E328 HydrophobicContact CD2-CG 4.08Å
289S93.6Very high93.1Very high38 Ų3869.6 Ų69.627%0.26634%0.338SS..  trans-53.9134.9173.4177.60000112.6Q291 R300 E328S289-Q291 PolarHBondContact OG-N 2.95Å; S289-R300 PolarHBondContact O-NH1 3.12Å; S289-E328 WeakPolarHBondContact CA-OE1 3.48Å; S289-E328 WeakPolarHBondContact CB-OE1 3.25Å; S289-E328 PolarHBondContact N-OE1 3.09Å
290M93.8Very high93.2Very high78 Ų7870.3 Ų70.338%0.38434%0.341SS..  trans-93.98.6178-57.6164.874.500112.6K280 K284 L288K280-M290 HydrophobicContact CB-CE 3.84Å; K280-M290 VanDerWaalsContact CE-O 3.28Å; K280-M290 WeakPolarHBondContact CE-O 3.31Å; K280-M290 HydrophobicContact CG-CB 4.33Å; K284-M290 HydrophobicContact CB-CE 4.41Å; K284-M290 HydrophobicContact CB-CG 4.4Å; K284-M290 HydrophobicContact CB-SD 3.9Å; K284-M290 HydrophobicContact CD-SD 4.32Å; K284-M290 HydrophobicContact CG-SD 4.24Å; L288-M290 PolarHBondContact O-N 3.28Å
291Q90.9Very high93.3Very high153 Ų15366.7 Ų66.772%0.71533%0.325SS*.  trans-93.1153.3-176.9-61.1-177.3-6.800112.7S289 L297 R300S289-Q291 PolarHBondContact OG-N 2.95Å; Q291-L297 WeakPolarHBondContact O-CD2 3.45Å; Q291-R300 PolarHBondContact O-NH1 3.23Å; Q291-R300 PolarHBondContact O-NH2 3.23Å
292G90.8Very high93.2Very high46 Ų4664.1 Ų64.147%0.47432%0.318SS..SBendtrans111.9178.3179.300000114.5
293S93.6Very high93.3Very high56 Ų5661.3 Ų61.339%0.39231%0.309SS..  trans-68.4162.817475.80000111.7D295 Q296 L297S293-D295 PolarHBondContact O-N 2.91Å; S293-D295 VanDerWaalsContact O-N 3.16Å; S293-Q296 PolarHBondContact O-N 3.21Å; S293-Q296 VanDerWaalsContact O-N 3.14Å; S293-Q296 WeakPolarHBondContact OG-CG 3.26Å; S293-Q296 PolarHBondContact OG-N 3.31Å; S293-L297 WeakPolarHBondContact O-CG 3.39Å; S293-L297 PolarHBondContact O-N 2.88Å
294R92.7Very high93.4Very high77 Ų7761.4 Ų61.429%0.29131%0.31SS..Hα-helixtrans-50.9-41.5177176.7173.3171.579.3-6111.8Y271 L274 V276 L297 I298Y271-R294 PolarHBondContact O-NH2 3.06Å; L274-R294 VanDerWaalsContact O-CZ 3.32Å; L274-R294 PolarHBondContact O-NH1 3.03Å; L274-R294 PolarHBondContact O-NH2 3.11Å; V276-R294 HydrophobicContact CG2-CB 4.42Å; V276-R294 HydrophobicContact CG2-CG 4.22Å; R294-L297 WeakPolarHBondContact O-CB 3.44Å; R294-L297 PolarHBondContact O-N 2.66Å; R294-I298 HydrophobicContact CG-CD1 3.95Å; R294-I298 VanDerWaalsContact O-CG1 3.3Å; R294-I298 WeakPolarHBondContact O-CG1 3.4Å; R294-I298 PolarHBondContact O-N 2.89Å
295D92.4Very high93.4Very high111 Ų11154.9 Ų54.959%0.59428%0.281SS*.Hα-helixtrans-76.7-31.4-175.7-49-63000112.7S293 I298 K299S293-D295 PolarHBondContact O-N 2.91Å; S293-D295 VanDerWaalsContact O-N 3.16Å; D295-I298 PolarHBondContact O-N 3.27Å; D295-K299 VanDerWaalsContact O-CB 3.26Å; D295-K299 WeakPolarHBondContact O-CB 3.5Å; D295-K299 PolarHBondContact O-N 2.92Å
296Q92.9Very high93.5Very high88 Ų8851 Ų5141%0.41126%0.26SS..Hα-helixtrans-63-45.4168.1-71.7170-23.900110.8S293 I298 K299 R300S293-Q296 PolarHBondContact O-N 3.21Å; S293-Q296 VanDerWaalsContact O-N 3.14Å; S293-Q296 WeakPolarHBondContact OG-CG 3.26Å; S293-Q296 PolarHBondContact OG-N 3.31Å; Q296-I298 VanDerWaalsContact C-N 3.35Å; Q296-I298 PolarHBondContact O-N 3.43Å; Q296-K299 PolarHBondContact O-N 3.48Å; Q296-R300 WeakPolarHBondContact O-CB 3.27Å; Q296-R300 PolarHBondContact O-N 3.07Å
297L94.3Very high93.6Very high1 Ų151 Ų511%0.00526%0.259CS..Hα-helixtrans-61-41.3175.1-60.3178.4000111.9V276 L279 K280 L283 Q291 S293 R294 H301V276-L297 HydrophobicContact CG1-CD1 4.37Å; L279-L297 HydrophobicContact CD2-CB 3.51Å; L279-L297 HydrophobicContact CD2-CD1 4.45Å; L279-L297 HydrophobicContact CG-CB 3.93Å; K280-L297 HydrophobicContact CD-CD1 4.43Å; K280-L297 HydrophobicContact CG-CD1 3.83Å; L283-L297 HydrophobicContact CD1-CB 3.73Å; L283-L297 HydrophobicContact CD1-CD2 3.51Å; L283-L297 HydrophobicContact CD1-CG 4.12Å; Q291-L297 WeakPolarHBondContact O-CD2 3.45Å; S293-L297 WeakPolarHBondContact O-CG 3.39Å; S293-L297 PolarHBondContact O-N 2.88Å; R294-L297 WeakPolarHBondContact O-CB 3.44Å; R294-L297 PolarHBondContact O-N 2.66Å; L297-H301 WeakPolarHBondContact O-CB 3.21Å; L297-H301 PolarHBondContact O-N 3.06Å; L297-H301 VanDerWaalsContact O-N 3.16Å
298I94.2Very high93.8Very high15 Ų1546.6 Ų46.68%0.07724%0.238CC..Hα-helixtrans-63.7-47.1175.3-71.6171.1000110.4Y271 L279 R294 D295 Q296 H301 K302Y271-I298 HydrophobicContact CD1-CB 4.29Å; Y271-I298 HydrophobicContact CD1-CG1 4.02Å; Y271-I298 HydrophobicContact CD1-CG2 3.89Å; Y271-I298 HydrophobicContact CD2-CG2 4.2Å; Y271-I298 HydrophobicContact CE1-CG2 4.49Å; Y271-I298 HydrophobicContact CG-CG1 4.27Å; Y271-I298 HydrophobicContact CG-CG2 3.73Å; L279-I298 HydrophobicContact CD2-CG1 3.58Å; R294-I298 HydrophobicContact CG-CD1 3.95Å; R294-I298 VanDerWaalsContact O-CG1 3.3Å; R294-I298 WeakPolarHBondContact O-CG1 3.4Å; R294-I298 PolarHBondContact O-N 2.89Å; D295-I298 PolarHBondContact O-N 3.27Å; Q296-I298 VanDerWaalsContact C-N 3.35Å; Q296-I298 PolarHBondContact O-N 3.43Å; I298-H301 PolarHBondContact O-N 3.39Å; I298-K302 HydrophobicContact CG2-CD 3.94Å; I298-K302 HydrophobicContact CG2-CG 4.34Å; I298-K302 WeakPolarHBondContact O-CB 3.4Å; I298-K302 WeakPolarHBondContact O-CG 3.24Å; I298-K302 PolarHBondContact O-N 3.38Å
299K93.5Very high93.8Very high94 Ų9446.5 Ų46.541%0.40924%0.238SC..Hα-helixtrans-62.1-47.3-179.3-176.5177.2177.9179.50111.6D295 Q296 H301 K302 E303D295-K299 VanDerWaalsContact O-CB 3.26Å; D295-K299 WeakPolarHBondContact O-CB 3.5Å; D295-K299 PolarHBondContact O-N 2.92Å; Q296-K299 PolarHBondContact O-N 3.48Å; K299-H301 VanDerWaalsContact C-N 3.35Å; K299-H301 PolarHBondContact O-N 3.34Å; K299-K302 PolarHBondContact O-N 2.67Å; K299-K302 VanDerWaalsContact O-N 3.16Å; K299-E303 WeakPolarHBondContact CE-OE1 3.34Å; K299-E303 HydrophobicContact CG-CG 4.47Å; K299-E303 WeakPolarHBondContact CG-OE1 3.28Å; K299-E303 PolarHBondContact O-N 2.75Å
300R95.1Very high93.8Very high15 Ų1544.9 Ų44.96%0.05723%0.226CC..Hα-helixtrans-57.1-46176.6-167.3179.1-60.5128.413.5111.7L283 L288 S289 Q291 Q296 F304 V327 E331L283-R300 HydrophobicContact CD2-CB 4.25Å; L283-R300 HydrophobicContact CD2-CG 4.18Å; L288-R300 HydrophobicContact CD1-CG 4.29Å; L288-R300 HydrophobicContact CD2-CG 4.12Å; S289-R300 PolarHBondContact O-NH1 3.12Å; Q291-R300 PolarHBondContact O-NH1 3.23Å; Q291-R300 PolarHBondContact O-NH2 3.23Å; Q296-R300 WeakPolarHBondContact O-CB 3.27Å; Q296-R300 PolarHBondContact O-N 3.07Å; R300-F304 WeakPolarHBondContact O-CB 3.24Å; R300-F304 PolarHBondContact O-N 3.34Å; R300-V327 HydrophobicContact CG-CG1 3.91Å; R300-E331 IonicContact CZ-OE1 2.77Å; R300-E331 IonicContact CZ-OE2 2.76Å; R300-E331 VanDerWaalsContact CZ-OE2 3.28Å; R300-E331 IonicContact NE-OE1 2.89Å; R300-E331 IonicContact NE-OE2 2.73Å; R300-E331 PolarHBondContact NE-OE2 2.8Å; R300-E331 VanDerWaalsContact NH2-CD 3.3Å; R300-E331 IonicContact NH2-OE1 2.77Å; R300-E331 PolarHBondContact NH2-OE1 3.03Å; R300-E331 IonicContact NH2-OE2 3.64Å; R300-E331 PolarHBondContact NH2-OE2 2.94Å
301H95.2Very high93.8Very high2 Ų242 Ų421%0.00921%0.212CC..Hα-helixtrans-67.6-37.1176.3-168.2-40.6000112.7Y271 L279 R282 L283 L297 I298 K299 V305Y271-H301 HydrophobicContact CE1-CB 4Å; Y271-H301 AromaticContact CE1-CG 3.89Å; Y271-H301 PolarHBondContact OH-ND1 3.03Å; L279-H301 HydrophobicContact CD1-CB 4.11Å; R282-H301 WeakPolarHBondContact CB-NE2 3.28Å; L283-H301 HydrophobicContact CD2-CB 3.89Å; L297-H301 WeakPolarHBondContact O-CB 3.21Å; L297-H301 PolarHBondContact O-N 3.06Å; L297-H301 VanDerWaalsContact O-N 3.16Å; I298-H301 PolarHBondContact O-N 3.39Å; K299-H301 VanDerWaalsContact C-N 3.35Å; K299-H301 PolarHBondContact O-N 3.34Å; H301-V305 WeakPolarHBondContact ND1-CG2 3.49Å; H301-V305 WeakPolarHBondContact O-CG2 3.32Å; H301-V305 PolarHBondContact O-N 2.97Å
302K94Very high93.8Very high95 Ų9536 Ų3641%0.41319%0.186SC..Hα-helixtrans-63.8-49174.4-77.7177.9177.6-179.90111.7Y271 I298 K299 F304 V305 H306Y271-K302 HydrophobicContact CD2-CD 4.38Å; Y271-K302 HydrophobicContact CD2-CG 4.12Å; Y271-K302 HydrophobicContact CE1-CG 4.39Å; Y271-K302 HydrophobicContact CE2-CD 4.09Å; Y271-K302 HydrophobicContact CE2-CG 3.39Å; I298-K302 HydrophobicContact CG2-CD 3.94Å; I298-K302 HydrophobicContact CG2-CG 4.34Å; I298-K302 WeakPolarHBondContact O-CB 3.4Å; I298-K302 WeakPolarHBondContact O-CG 3.24Å; I298-K302 PolarHBondContact O-N 3.38Å; K299-K302 PolarHBondContact O-N 2.67Å; K299-K302 VanDerWaalsContact O-N 3.16Å; K302-F304 VanDerWaalsContact C-N 3.34Å; K302-F304 PolarHBondContact O-N 3.25Å; K302-V305 PolarHBondContact O-N 2.88Å; K302-H306 PolarHBondContact O-CD2 3.47Å; K302-H306 PolarHBondContact O-N 2.94Å
303E94.6Very high93.8Very high38 Ų3834.6 Ų34.618%0.17817%0.168CC..Hα-helixtrans-63.8-39.4179.9-69.4-173-159.600111K299 H306 L307 V327 R334K299-E303 WeakPolarHBondContact CE-OE1 3.34Å; K299-E303 HydrophobicContact CG-CG 4.47Å; K299-E303 WeakPolarHBondContact CG-OE1 3.28Å; K299-E303 PolarHBondContact O-N 2.75Å; E303-H306 PolarHBondContact O-N 3.48Å; E303-L307 WeakPolarHBondContact O-CB 3.32Å; E303-L307 PolarHBondContact O-N 2.96Å; E303-V327 HydrophobicContact CB-CG1 4.43Å; E303-R334 IonicContact OE1-NE 3.06Å; E303-R334 IonicContact OE2-NE 3.28Å
304F96Very high93.7Very high3 Ų333.3 Ų33.31%0.01316%0.159CC..Hα-helixtrans-61.4-49171.7-176.7-88.4000113.6M266 C286 L288 R300 K302 H306 L307 Y308 V320 I323 A324 V327M266-F304 HydrophobicContact CE-CE1 4.46Å; M266-F304 HydrophobicContact SD-CD1 4.18Å; M266-F304 HydrophobicContact SD-CE1 3.79Å; C286-F304 HydrophobicContact CB-CD1 4.09Å; C286-F304 HydrophobicContact CB-CE1 3.71Å; C286-F304 HydrophobicContact CB-CE2 4.19Å; C286-F304 HydrophobicContact CB-CZ 3.76Å; L288-F304 HydrophobicContact CD1-CB 3.71Å; L288-F304 HydrophobicContact CD1-CD1 4.46Å; L288-F304 HydrophobicContact CD1-CD2 3.72Å; L288-F304 HydrophobicContact CD1-CE2 4.46Å; L288-F304 HydrophobicContact CD1-CG 3.72Å; L288-F304 HydrophobicContact CD2-CD2 4.21Å; L288-F304 HydrophobicContact CG-CD2 4.17Å; R300-F304 WeakPolarHBondContact O-CB 3.24Å; R300-F304 PolarHBondContact O-N 3.34Å; K302-F304 VanDerWaalsContact C-N 3.34Å; K302-F304 PolarHBondContact O-N 3.25Å; F304-H306 VanDerWaalsContact C-N 3.27Å; F304-H306 PolarHBondContact O-N 2.86Å; F304-L307 PolarHBondContact O-N 3.31Å; F304-Y308 HydrophobicContact CE1-CD2 4.36Å; F304-Y308 HydrophobicContact CE1-CG 4.38Å; F304-Y308 HydrophobicContact CZ-CD2 4.34Å; F304-Y308 WeakPolarHBondContact O-CB 3.46Å; F304-Y308 PolarHBondContact O-N 2.94Å; F304-V320 HydrophobicContact CZ-CG1 4.07Å; F304-I323 HydrophobicContact CD2-CG2 3.7Å; F304-I323 HydrophobicContact CE2-CB 4.14Å; F304-I323 HydrophobicContact CE2-CG2 3.52Å; F304-I323 HydrophobicContact CG-CG2 4.47Å; F304-I323 HydrophobicContact CZ-CG2 4.14Å; F304-A324 HydrophobicContact CE2-CB 4.16Å; F304-V327 HydrophobicContact CB-CG2 3.98Å; F304-V327 HydrophobicContact CD2-CG2 4.17Å
305V94.8Very high93.4Very high4 Ų435.9 Ų35.92%0.02418%0.178CC..Hα-helixtrans-61.7-36.4179.3166.50000111.5M266 H301 K302 N309M266-V305 HydrophobicContact CB-CG1 4.27Å; M266-V305 HydrophobicContact CB-CG2 4.31Å; M266-V305 HydrophobicContact CE-CG2 4.45Å; M266-V305 HydrophobicContact SD-CG2 4.11Å; H301-V305 WeakPolarHBondContact ND1-CG2 3.49Å; H301-V305 WeakPolarHBondContact O-CG2 3.32Å; H301-V305 PolarHBondContact O-N 2.97Å; K302-V305 PolarHBondContact O-N 2.88Å; V305-N309 WeakPolarHBondContact O-CB 3.47Å; V305-N309 PolarHBondContact O-N 3.44Å; V305-N309 PolarHBondContact O-OD1 3.04Å
306H93.8Very high93.2Very high22 Ų2239.3 Ų39.310%0.10219%0.187CC..Hα-helixtrans-68.5-45.5175.1-66-27000112.6L47 K302 E303 F304 S310L47-H306 HydrophobicContact CD1-CB 3.84Å; K302-H306 PolarHBondContact O-CD2 3.47Å; K302-H306 PolarHBondContact O-N 2.94Å; E303-H306 PolarHBondContact O-N 3.48Å; F304-H306 VanDerWaalsContact C-N 3.27Å; F304-H306 PolarHBondContact O-N 2.86Å; H306-S310 WeakPolarHBondContact O-CB 3.49Å; H306-S310 PolarHBondContact O-N 2.92Å; H306-S310 PolarHBondContact O-OG 2.84Å
307L94.7Very high93Very high9 Ų937.4 Ų37.45%0.04718%0.183CC..Hα-helixtrans-64.5-49177.7-175.662.1000111.2L47 E303 F304 N309 S310 Q311 I323 E326 V327L47-L307 HydrophobicContact CD2-CD1 4.06Å; E303-L307 WeakPolarHBondContact O-CB 3.32Å; E303-L307 PolarHBondContact O-N 2.96Å; F304-L307 PolarHBondContact O-N 3.31Å; L307-N309 PolarHBondContact O-N 3.35Å; L307-S310 PolarHBondContact O-N 3.14Å; L307-S310 VanDerWaalsContact O-N 3.13Å; L307-S310 PolarHBondContact O-OG 3.38Å; L307-Q311 WeakPolarHBondContact O-CG 3.43Å; L307-Q311 PolarHBondContact O-N 2.82Å; L307-I323 HydrophobicContact CB-CG2 4.26Å; L307-I323 HydrophobicContact CD2-CB 4.45Å; L307-I323 HydrophobicContact CD2-CG2 3.84Å; L307-I323 HydrophobicContact CG-CG2 3.98Å; L307-E326 HydrophobicContact CD2-CB 3.94Å; L307-E326 HydrophobicContact CD2-CG 3.72Å; L307-V327 HydrophobicContact CD2-CG2 4.02Å
308Y95.1Very high92.9Very high26 Ų2640.2 Ų40.210%0.10220%0.195CC..Hα-helixtrans-58.2-47.3177.2-178.4-86.6000112.2M263 R264 M266 F304 S310 Q311 C312 V320 I323M263-Y308 HydrophobicContact SD-CE2 3.62Å; M263-Y308 PolarHBondContact SD-OH 3.46Å; M263-Y308 VanDerWaalsContact SD-OH 3.38Å; R264-Y308 WeakPolarHBondContact O-CE1 3.35Å; M266-Y308 HydrophobicContact CB-CD1 4.4Å; M266-Y308 HydrophobicContact CG-CD1 3.59Å; M266-Y308 HydrophobicContact CG-CE1 3.68Å; M266-Y308 HydrophobicContact CG-CG 4.44Å; M266-Y308 HydrophobicContact SD-CD1 3.81Å; M266-Y308 HydrophobicContact SD-CE1 4.25Å; M266-Y308 HydrophobicContact SD-CG 4.07Å; F304-Y308 HydrophobicContact CE1-CD2 4.36Å; F304-Y308 HydrophobicContact CE1-CG 4.38Å; F304-Y308 HydrophobicContact CZ-CD2 4.34Å; F304-Y308 WeakPolarHBondContact O-CB 3.46Å; F304-Y308 PolarHBondContact O-N 2.94Å; Y308-S310 VanDerWaalsContact C-N 3.27Å; Y308-S310 PolarHBondContact O-N 2.86Å; Y308-Q311 PolarHBondContact O-N 3.24Å; Y308-Q311 VanDerWaalsContact O-N 3.12Å; Y308-C312 WeakPolarHBondContact CE1-SG 3.45Å; Y308-C312 PolarHBondContact O-N 3.07Å; Y308-C312 PolarHBondContact O-SG 3.12Å; Y308-V320 HydrophobicContact CE2-CG2 4.43Å; Y308-I323 HydrophobicContact CD2-CD1 3.9Å
309N93.6Very high92.8Very high6 Ų642 Ų423%0.03221%0.209CC..Hα-helixtrans-64.3-32.7177.3-73.59.7000112.3M266 V305 L307 C312M266-N309 PolarHBondContact N-OD1 3.48Å; M266-N309 PolarHBondContact O-ND2 2.88Å; M266-N309 PolarHBondContact O-OD1 3.43Å; V305-N309 WeakPolarHBondContact O-CB 3.47Å; V305-N309 PolarHBondContact O-N 3.44Å; V305-N309 PolarHBondContact O-OD1 3.04Å; L307-N309 PolarHBondContact O-N 3.35Å; N309-C312 WeakPolarHBondContact O-CB 3.46Å; N309-C312 PolarHBondContact O-N 3.4Å
310S93.7Very high92.8Very high3 Ų339.3 Ų39.32%0.02120%0.2CC..Hα-helixtrans-70.7-34.4172.873.40000113.1I34 S46 H306 L307 Y308 C312 D313I34-S310 WeakPolarHBondContact CD1-O 3.38Å; S46-S310 WeakPolarHBondContact OG-CA 3.48Å; S46-S310 WeakPolarHBondContact OG-CB 3.4Å; H306-S310 WeakPolarHBondContact O-CB 3.49Å; H306-S310 PolarHBondContact O-N 2.92Å; H306-S310 PolarHBondContact O-OG 2.84Å; L307-S310 PolarHBondContact O-N 3.14Å; L307-S310 VanDerWaalsContact O-N 3.13Å; L307-S310 PolarHBondContact O-OG 3.38Å; Y308-S310 VanDerWaalsContact C-N 3.27Å; Y308-S310 PolarHBondContact O-N 2.86Å; S310-C312 VanDerWaalsContact C-N 3.32Å; S310-D313 WeakPolarHBondContact O-CB 3.5Å; S310-D313 PolarHBondContact O-N 2.91Å
311Q94.1Very high92.7Very high17 Ų1743 Ų438%0.07922%0.218CC..Hα-helixtrans-71.6-25.5174.9-70.5-66.5-16.100112.6L307 Y308 D313 S314 P317 K318 I323L307-Q311 WeakPolarHBondContact O-CG 3.43Å; L307-Q311 PolarHBondContact O-N 2.82Å; Y308-Q311 PolarHBondContact O-N 3.24Å; Y308-Q311 VanDerWaalsContact O-N 3.12Å; Q311-D313 PolarHBondContact O-N 3.29Å; Q311-S314 VanDerWaalsContact O-CB 3.22Å; Q311-S314 WeakPolarHBondContact O-CB 3.48Å; Q311-S314 PolarHBondContact O-N 3.21Å; Q311-P317 WeakPolarHBondContact O-CB 3.4Å; Q311-K318 HydrophobicContact CG-CB 4.34Å; Q311-I323 HydrophobicContact CB-CD1 3.96Å; Q311-I323 HydrophobicContact CG-CD1 3.98Å; Q311-I323 HydrophobicContact CG-CG1 4.18Å
312C91.6Very high92.7Very high27 Ų2746.3 Ų46.318%0.18223%0.234CC..THydrogen-bonded Turntrans-59.8-25169.3-61.70000112.7M263 P265 Y308 N309 S310 S314M263-C312 HydrophobicContact CB-CB 4.27Å; M263-C312 VanDerWaalsContact CB-SG 3.54Å; P265-C312 HydrophobicContact CG-CB 3.89Å; Y308-C312 WeakPolarHBondContact CE1-SG 3.45Å; Y308-C312 PolarHBondContact O-N 3.07Å; Y308-C312 PolarHBondContact O-SG 3.12Å; N309-C312 WeakPolarHBondContact O-CB 3.46Å; N309-C312 PolarHBondContact O-N 3.4Å; S310-C312 VanDerWaalsContact C-N 3.32Å; C312-S314 VanDerWaalsContact C-N 3.33Å
313D90.1Very high92.8Very high18 Ų1841.8 Ų41.810%0.09621%0.214CC..THydrogen-bonded Turntrans-86.1-0.4175.5-52.2-45.1000112.9I34 M36 S46 R50 N73 R75 S310 Q311I34-D313 HydrophobicContact CG2-CB 3.57Å; I34-D313 WeakPolarHBondContact CG2-O 3.46Å; M36-D313 HydrophobicContact SD-CB 4.11Å; S46-D313 WeakPolarHBondContact CB-OD2 3.13Å; S46-D313 PolarHBondContact OG-OD2 2.91Å; R50-D313 IonicContact CZ-OD1 3.9Å; R50-D313 IonicContact CZ-OD2 3.14Å; R50-D313 VanDerWaalsContact CZ-OD2 3.23Å; R50-D313 IonicContact NE-OD2 2.77Å; R50-D313 PolarHBondContact NE-OD2 3.09Å; R50-D313 IonicContact NH2-OD1 3.79Å; R50-D313 PolarHBondContact NH2-OD1 3.16Å; R50-D313 IonicContact NH2-OD2 3.23Å; R50-D313 PolarHBondContact NH2-OD2 3.34Å; N73-D313 PolarHBondContact ND2-O 2.73Å; R75-D313 VanDerWaalsContact CZ-O 3.25Å; R75-D313 PolarHBondContact NH1-O 3.5Å; R75-D313 PolarHBondContact NH2-O 3.5Å; S310-D313 WeakPolarHBondContact O-CB 3.5Å; S310-D313 PolarHBondContact O-N 2.91Å; Q311-D313 PolarHBondContact O-N 3.29Å
314S90.9Very high92.8Very high29 Ų2940.1 Ų40.120%0.20321%0.207CC..  trans-83.3145.8-179.3-173.70000112.4Q311 C312 K316Q311-S314 VanDerWaalsContact O-CB 3.22Å; Q311-S314 WeakPolarHBondContact O-CB 3.48Å; Q311-S314 PolarHBondContact O-N 3.21Å; C312-S314 VanDerWaalsContact C-N 3.33Å; S314-K316 PolarHBondContact OG-N 3.22Å; S314-K316 PolarHBondContact OG-O 2.84Å
315L87Confident92.7Very high130 Ų13047.7 Ų47.768%0.68124%0.235SC*.SBendtrans-72.5-19.6166.6-63.9179.7000112.6
316K87.4Confident92.8Very high183 Ų18350.1 Ų50.180%0.79625%0.246SC*.SBendtrans-135.477.7177.1-64.6179.4-175.2173.40107.5S314S314-K316 PolarHBondContact OG-N 3.22Å; S314-K316 PolarHBondContact OG-O 2.84Å
317P90.1Very high92.8Very high49 Ų4949.3 Ų49.332%0.31824%0.243SC..PPolyproline II helixtrans-64.1138.7-178.726.1-34.3000110.9M263 Q311M263-P317 HydrophobicContact CG-CB 4Å; M263-P317 HydrophobicContact CG-CG 4.26Å; Q311-P317 WeakPolarHBondContact O-CB 3.4Å
318K91.6Very high92.8Very high60 Ų6052.1 Ų52.126%0.26126%0.256SS..PPolyproline II helixtrans-61.8154167.3-70.3-172.6171.3-1690111.3Q311 E322 I323 E326Q311-K318 HydrophobicContact CG-CB 4.34Å; K318-E322 HydrophobicContact CB-CB 4.29Å; K318-E322 HydrophobicContact CB-CG 4.41Å; K318-E322 HydrophobicContact CD-CG 4.12Å; K318-E322 VanDerWaalsContact CD-OE1 3.23Å; K318-E322 WeakPolarHBondContact CD-OE1 3.12Å; K318-E322 WeakPolarHBondContact CE-OE1 3.27Å; K318-E322 HydrophobicContact CG-CG 4.47Å; K318-E322 IonicContact NZ-OE1 2.89Å; K318-E322 PolarHBondContact NZ-OE1 2.89Å; K318-I323 HydrophobicContact CB-CD1 4.18Å; K318-I323 HydrophobicContact CB-CG1 3.77Å; K318-E326 WeakPolarHBondContact CD-OE2 3.46Å; K318-E326 IonicContact NZ-OE1 3.72Å; K318-E326 IonicContact NZ-OE2 3.1Å; K318-E326 PolarHBondContact NZ-OE2 3.26Å
319S93Very high92.7Very high51 Ų5153.7 Ų53.736%0.35727%0.274SS..PPolyproline II helixtrans-71.2160175.693.30000111.7E321 E322 I323S319-E321 WeakPolarHBondContact CB-OE2 3.46Å; S319-E321 PolarHBondContact O-N 3Å; S319-E321 PolarHBondContact OG-N 3.28Å; S319-E321 PolarHBondContact OG-OE2 3.31Å; S319-E322 PolarHBondContact O-N 3.36Å; S319-E322 VanDerWaalsContact O-N 3.12Å; S319-E322 PolarHBondContact OG-N 3.24Å; S319-E322 VanDerWaalsContact OG-N 3.14Å; S319-I323 VanDerWaalsContact O-CG1 3.27Å; S319-I323 WeakPolarHBondContact O-CG1 3.37Å; S319-I323 PolarHBondContact O-N 3.42Å
320V92.3Very high92.7Very high39 Ų3956.4 Ų56.424%0.23629%0.288CS..Hα-helixtrans-57.8-39.4179-176.10000110.9F304 Y308 A324F304-V320 HydrophobicContact CZ-CG1 4.07Å; Y308-V320 HydrophobicContact CE2-CG2 4.43Å; V320-A324 WeakPolarHBondContact O-CB 3.14Å; V320-A324 PolarHBondContact O-N 3.3Å
321E93.6Very high92.6Very high91 Ų9158 Ų5843%0.42530%0.296SS..Hα-helixtrans-76.7-26.1-179.9-4576.5-170.400112.5S319 R325S319-E321 WeakPolarHBondContact CB-OE2 3.46Å; S319-E321 PolarHBondContact O-N 3Å; S319-E321 PolarHBondContact OG-N 3.28Å; S319-E321 PolarHBondContact OG-OE2 3.31Å; E321-R325 WeakPolarHBondContact O-CB 3.11Å; E321-R325 VanDerWaalsContact O-CG 3.26Å; E321-R325 WeakPolarHBondContact O-CG 3.23Å; E321-R325 PolarHBondContact O-N 3.36Å; E321-R325 PolarHBondContact O-NE 2.96Å
322E94.9Very high92.4Very high73 Ų7364.9 Ų64.934%0.34133%0.325SS..Hα-helixtrans-73.9-45.1169.7-166.5-170.9161.800111.2K318 S319 A324 R325 E326K318-E322 HydrophobicContact CB-CB 4.29Å; K318-E322 HydrophobicContact CB-CG 4.41Å; K318-E322 HydrophobicContact CD-CG 4.12Å; K318-E322 VanDerWaalsContact CD-OE1 3.23Å; K318-E322 WeakPolarHBondContact CD-OE1 3.12Å; K318-E322 WeakPolarHBondContact CE-OE1 3.27Å; K318-E322 HydrophobicContact CG-CG 4.47Å; K318-E322 IonicContact NZ-OE1 2.89Å; K318-E322 PolarHBondContact NZ-OE1 2.89Å; S319-E322 PolarHBondContact O-N 3.36Å; S319-E322 VanDerWaalsContact O-N 3.12Å; S319-E322 PolarHBondContact OG-N 3.24Å; S319-E322 VanDerWaalsContact OG-N 3.14Å; E322-A324 VanDerWaalsContact C-N 3.31Å; E322-A324 PolarHBondContact O-N 3.05Å; E322-R325 PolarHBondContact O-N 3.43Å; E322-E326 WeakPolarHBondContact O-CB 3.29Å; E322-E326 PolarHBondContact O-N 3.36Å
323I95.3Very high92.3Very high0 Ų069.1 Ų69.10%034%0.344CS..Hα-helixtrans-59.6-42.3174.6-66.5164.9000110.4F304 L307 Y308 Q311 K318 S319 E326 V327F304-I323 HydrophobicContact CD2-CG2 3.7Å; F304-I323 HydrophobicContact CE2-CB 4.14Å; F304-I323 HydrophobicContact CE2-CG2 3.52Å; F304-I323 HydrophobicContact CG-CG2 4.47Å; F304-I323 HydrophobicContact CZ-CG2 4.14Å; L307-I323 HydrophobicContact CB-CG2 4.26Å; L307-I323 HydrophobicContact CD2-CB 4.45Å; L307-I323 HydrophobicContact CD2-CG2 3.84Å; L307-I323 HydrophobicContact CG-CG2 3.98Å; Y308-I323 HydrophobicContact CD2-CD1 3.9Å; Q311-I323 HydrophobicContact CB-CD1 3.96Å; Q311-I323 HydrophobicContact CG-CD1 3.98Å; Q311-I323 HydrophobicContact CG-CG1 4.18Å; K318-I323 HydrophobicContact CB-CD1 4.18Å; K318-I323 HydrophobicContact CB-CG1 3.77Å; S319-I323 VanDerWaalsContact O-CG1 3.27Å; S319-I323 WeakPolarHBondContact O-CG1 3.37Å; S319-I323 PolarHBondContact O-N 3.42Å; I323-E326 PolarHBondContact O-N 3.47Å; I323-V327 WeakPolarHBondContact O-CG2 3.41Å; I323-V327 PolarHBondContact O-N 3.1Å
324A94.9Very high92.1Very high3 Ų373.7 Ų73.73%0.02536%0.36CS..Hα-helixtrans-61.3-49.5175.500000112.2H287 L288 F304 V320 E322 E326 V327 E328H287-A324 HydrophobicContact CB-CB 4.25Å; L288-A324 HydrophobicContact CD2-CB 3.96Å; L288-A324 HydrophobicContact CG-CB 4.32Å; F304-A324 HydrophobicContact CE2-CB 4.16Å; V320-A324 WeakPolarHBondContact O-CB 3.14Å; V320-A324 PolarHBondContact O-N 3.3Å; E322-A324 VanDerWaalsContact C-N 3.31Å; E322-A324 PolarHBondContact O-N 3.05Å; A324-E326 VanDerWaalsContact C-N 3.31Å; A324-E326 PolarHBondContact O-N 2.91Å; A324-V327 PolarHBondContact O-N 3.33Å; A324-E328 PolarHBondContact O-N 3.48Å; A324-E328 VanDerWaalsContact O-N 3.07Å
325R95.3Very high91.9Very high161 Ų16174.6 Ų74.661%0.60837%0.366SS*.Hα-helixtrans-61.1-37.4176.4-75177.7-65153.71.9112.6E321 E322 E328 A329E321-R325 WeakPolarHBondContact O-CB 3.11Å; E321-R325 VanDerWaalsContact O-CG 3.26Å; E321-R325 WeakPolarHBondContact O-CG 3.23Å; E321-R325 PolarHBondContact O-N 3.36Å; E321-R325 PolarHBondContact O-NE 2.96Å; E322-R325 PolarHBondContact O-N 3.43Å; R325-E328 PolarHBondContact O-N 3.35Å; R325-A329 VanDerWaalsContact O-CB 3.28Å; R325-A329 WeakPolarHBondContact O-CB 3.28Å; R325-A329 PolarHBondContact O-N 2.99Å
326E95.3Very high91.8Very high56 Ų5672.2 Ų72.226%0.26235%0.352SS..Hα-helixtrans-65.9-40.5176.5-178.3170.5-177.200111.9L307 K318 E322 I323 A324 N330L307-E326 HydrophobicContact CD2-CB 3.94Å; L307-E326 HydrophobicContact CD2-CG 3.72Å; K318-E326 WeakPolarHBondContact CD-OE2 3.46Å; K318-E326 IonicContact NZ-OE1 3.72Å; K318-E326 IonicContact NZ-OE2 3.1Å; K318-E326 PolarHBondContact NZ-OE2 3.26Å; E322-E326 WeakPolarHBondContact O-CB 3.29Å; E322-E326 PolarHBondContact O-N 3.36Å; I323-E326 PolarHBondContact O-N 3.47Å; A324-E326 VanDerWaalsContact C-N 3.31Å; A324-E326 PolarHBondContact O-N 2.91Å; E326-N330 VanDerWaalsContact O-CB 3.32Å; E326-N330 WeakPolarHBondContact O-CB 3.49Å; E326-N330 VanDerWaalsContact O-CG 3.3Å; E326-N330 PolarHBondContact O-N 3.03Å; E326-N330 PolarHBondContact O-ND2 2.77Å
327V95.4Very high91.5Very high5 Ų568.3 Ų68.33%0.0334%0.337CS..Hα-helixtrans-63.2-46.5174.2171.20000111.4L288 R300 E303 F304 L307 I323 A324 N330 E331L288-V327 HydrophobicContact CD2-CB 4.13Å; L288-V327 HydrophobicContact CD2-CG1 4.06Å; R300-V327 HydrophobicContact CG-CG1 3.91Å; E303-V327 HydrophobicContact CB-CG1 4.43Å; F304-V327 HydrophobicContact CB-CG2 3.98Å; F304-V327 HydrophobicContact CD2-CG2 4.17Å; L307-V327 HydrophobicContact CD2-CG2 4.02Å; I323-V327 WeakPolarHBondContact O-CG2 3.41Å; I323-V327 PolarHBondContact O-N 3.1Å; A324-V327 PolarHBondContact O-N 3.33Å; V327-N330 PolarHBondContact O-N 3.4Å; V327-E331 PolarHBondContact O-N 3.49Å
328E93.6Very high90.8Very high68 Ų6872.4 Ų72.432%0.31835%0.352SS..Hα-helixtrans-68.2-35.9179.8-66-169.3156.400112.8L288 S289 A324 R325 E331 K332L288-E328 HydrophobicContact CD2-CG 4.08Å; S289-E328 WeakPolarHBondContact CA-OE1 3.48Å; S289-E328 WeakPolarHBondContact CB-OE1 3.25Å; S289-E328 PolarHBondContact N-OE1 3.09Å; A324-E328 PolarHBondContact O-N 3.48Å; A324-E328 VanDerWaalsContact O-N 3.07Å; R325-E328 PolarHBondContact O-N 3.35Å; E328-E331 PolarHBondContact O-N 2.92Å; E328-K332 VanDerWaalsContact O-CB 3.32Å; E328-K332 WeakPolarHBondContact O-CB 3.36Å; E328-K332 PolarHBondContact O-N 3.42Å
329A94Very high89.8Confident59 Ų5975.9 Ų75.949%0.48837%0.369SS..Hα-helixtrans-64-43.2172.400000111.8R325 K332 M333R325-A329 VanDerWaalsContact O-CB 3.28Å; R325-A329 WeakPolarHBondContact O-CB 3.28Å; R325-A329 PolarHBondContact O-N 2.99Å; A329-K332 PolarHBondContact O-N 3.46Å; A329-M333 WeakPolarHBondContact O-CB 3.47Å; A329-M333 PolarHBondContact O-N 3.2Å
330N91.9Very high88.7Confident62 Ų6279.9 Ų79.933%0.33238%0.38SS..Hα-helixtrans-64.6-42.2175.6-80.4-50.4000112.2E326 V327 M333 R334E326-N330 VanDerWaalsContact O-CB 3.32Å; E326-N330 WeakPolarHBondContact O-CB 3.49Å; E326-N330 VanDerWaalsContact O-CG 3.3Å; E326-N330 PolarHBondContact O-N 3.03Å; E326-N330 PolarHBondContact O-ND2 2.77Å; V327-N330 PolarHBondContact O-N 3.4Å; N330-M333 PolarHBondContact O-N 3.34Å; N330-R334 WeakPolarHBondContact O-CG 3.32Å; N330-R334 PolarHBondContact O-N 3Å
331E91.9Very high87.5Confident38 Ų3881.9 Ų81.918%0.17840%0.396CS..Hα-helixtrans-61.8-48174.4-174.8179-179.600111.2R300 V327 E328 M333 R334 S335R300-E331 IonicContact CZ-OE1 2.77Å; R300-E331 IonicContact CZ-OE2 2.76Å; R300-E331 VanDerWaalsContact CZ-OE2 3.28Å; R300-E331 IonicContact NE-OE1 2.89Å; R300-E331 IonicContact NE-OE2 2.73Å; R300-E331 PolarHBondContact NE-OE2 2.8Å; R300-E331 VanDerWaalsContact NH2-CD 3.3Å; R300-E331 IonicContact NH2-OE1 2.77Å; R300-E331 PolarHBondContact NH2-OE1 3.03Å; R300-E331 IonicContact NH2-OE2 3.64Å; R300-E331 PolarHBondContact NH2-OE2 2.94Å; V327-E331 PolarHBondContact O-N 3.49Å; E328-E331 PolarHBondContact O-N 2.92Å; E331-M333 VanDerWaalsContact C-N 3.29Å; E331-M333 PolarHBondContact O-N 3.35Å; E331-R334 PolarHBondContact O-N 2.84Å; E331-R334 VanDerWaalsContact O-N 3.14Å; E331-S335 PolarHBondContact O-N 2.69Å; E331-S335 PolarHBondContact O-OG 3.37Å
332K90.3Very high86.1Confident161 Ų16185 Ų8570%0.741%0.408SS*.Hα-helixtrans-59.1-39.7177.3-175.1175.5-178.9176.80112.1E328 A329 Q336E328-K332 VanDerWaalsContact O-CB 3.32Å; E328-K332 WeakPolarHBondContact O-CB 3.36Å; E328-K332 PolarHBondContact O-N 3.42Å; A329-K332 PolarHBondContact O-N 3.46Å; K332-Q336 WeakPolarHBondContact O-CB 3.25Å; K332-Q336 PolarHBondContact O-N 2.96Å
333M89.1Confident84.6Confident116 Ų11685.8 Ų85.857%0.57142%0.42SS*.Hα-helixtrans-65-45174.7-172.3179.8-68.900111.6A329 N330 E331 S335 Q336 M337A329-M333 WeakPolarHBondContact O-CB 3.47Å; A329-M333 PolarHBondContact O-N 3.2Å; N330-M333 PolarHBondContact O-N 3.34Å; E331-M333 VanDerWaalsContact C-N 3.29Å; E331-M333 PolarHBondContact O-N 3.35Å; M333-S335 PolarHBondContact O-N 3.43Å; M333-Q336 PolarHBondContact O-N 3.18Å; M333-M337 WeakPolarHBondContact O-CG 3.3Å; M333-M337 PolarHBondContact O-N 3.46Å
334R87.3Confident83.2Confident114 Ų11491 Ų9143%0.4345%0.451SS..Hα-helixtrans-59-47.5175.7-71.7-179-168-59.2-11.8111.7E303 N330 E331 M337 Q338E303-R334 IonicContact OE1-NE 3.06Å; E303-R334 IonicContact OE2-NE 3.28Å; N330-R334 WeakPolarHBondContact O-CG 3.32Å; N330-R334 PolarHBondContact O-N 3Å; E331-R334 PolarHBondContact O-N 2.84Å; E331-R334 VanDerWaalsContact O-N 3.14Å; R334-M337 PolarHBondContact O-N 2.85Å; R334-Q338 WeakPolarHBondContact O-CB 3.32Å; R334-Q338 PolarHBondContact O-N 3Å
335S85.1Confident81.8Confident47 Ų4793.7 Ų93.733%0.32946%0.464SS..Hα-helixtrans-61-45.9178.8-60.80000111.9E331 M333 M337 Q338 E339E331-S335 PolarHBondContact O-N 2.69Å; E331-S335 PolarHBondContact O-OG 3.37Å; M333-S335 PolarHBondContact O-N 3.43Å; S335-M337 VanDerWaalsContact C-N 3.26Å; S335-M337 PolarHBondContact O-N 3.35Å; S335-Q338 PolarHBondContact O-N 2.94Å; S335-Q338 VanDerWaalsContact O-N 3.12Å; S335-E339 WeakPolarHBondContact O-CG 3.36Å; S335-E339 PolarHBondContact O-N 3.17Å
336Q86.4Confident80.6Confident81 Ų8190.1 Ų90.138%0.37946%0.46SS..Hα-helixtrans-64.8-27.7178-170.2-175.391.700113K332 M333 K340K332-Q336 WeakPolarHBondContact O-CB 3.25Å; K332-Q336 PolarHBondContact O-N 2.96Å; M333-Q336 PolarHBondContact O-N 3.18Å; Q336-K340 WeakPolarHBondContact O-CD 3.33Å; Q336-K340 WeakPolarHBondContact O-CE 3.36Å; Q336-K340 WeakPolarHBondContact O-CG 3.36Å; Q336-K340 VanDerWaalsContact OE1-NZ 3.14Å
337M80.9Confident79.6Confident100 Ų10091.9 Ų91.949%0.49347%0.467SS..Hα-helixtrans-76.3-41.5171.2-64-53.4172.700111.5M333 R334 S335 E339 K340 S341M333-M337 WeakPolarHBondContact O-CG 3.3Å; M333-M337 PolarHBondContact O-N 3.46Å; R334-M337 PolarHBondContact O-N 2.85Å; S335-M337 VanDerWaalsContact C-N 3.26Å; S335-M337 PolarHBondContact O-N 3.35Å; M337-E339 VanDerWaalsContact C-N 3.3Å; M337-E339 PolarHBondContact O-N 3.45Å; M337-K340 CarbonylContact O-C 3.57Å; M337-K340 WeakPolarHBondContact O-CA 3.38Å; M337-K340 WeakPolarHBondContact O-CB 3.46Å; M337-K340 PolarHBondContact O-N 2.91Å; M337-K340 HydrophobicContact SD-CD 4.36Å; M337-S341 PolarHBondContact O-N 2.76Å; M337-S341 PolarHBondContact O-OG 3.3Å
338Q74.4Confident78.8Confident135 Ų13595.5 Ų95.563%0.63149%0.489SS*.Hα-helixtrans-64-32.1178.3-168170.75.800113.1R334 S335 K340R334-Q338 WeakPolarHBondContact O-CB 3.32Å; R334-Q338 PolarHBondContact O-N 3Å; S335-Q338 PolarHBondContact O-N 2.94Å; S335-Q338 VanDerWaalsContact O-N 3.12Å; Q338-K340 VanDerWaalsContact C-N 3.26Å; Q338-K340 PolarHBondContact O-N 2.8Å
339E71.4Confident77.9Confident133 Ų133102.2 Ų102.262%0.62152%0.517SS*.THydrogen-bonded Turntrans-62.8-30.5171.3-75.8167.6-179.300113.2S335 M337 K342S335-E339 WeakPolarHBondContact O-CG 3.36Å; S335-E339 PolarHBondContact O-N 3.17Å; M337-E339 VanDerWaalsContact C-N 3.3Å; M337-E339 PolarHBondContact O-N 3.45Å; E339-K342 WeakPolarHBondContact O-CE 3.45Å
340K69.9Low76.8Confident136 Ų136106.6 Ų106.659%0.59153%0.532SS*.THydrogen-bonded Turntrans-90-36.1179.2-62.1166.3-169.7166.60112Q336 M337 Q338 K342Q336-K340 WeakPolarHBondContact O-CD 3.33Å; Q336-K340 WeakPolarHBondContact O-CE 3.36Å; Q336-K340 WeakPolarHBondContact O-CG 3.36Å; Q336-K340 VanDerWaalsContact OE1-NZ 3.14Å; M337-K340 CarbonylContact O-C 3.57Å; M337-K340 WeakPolarHBondContact O-CA 3.38Å; M337-K340 WeakPolarHBondContact O-CB 3.46Å; M337-K340 PolarHBondContact O-N 2.91Å; M337-K340 HydrophobicContact SD-CD 4.36Å; Q338-K340 VanDerWaalsContact C-N 3.26Å; Q338-K340 PolarHBondContact O-N 2.8Å; K340-K342 VanDerWaalsContact C-N 3.28Å; K340-K342 PolarHBondContact O-N 2.88Å
341S65.7Low76.1Confident81 Ų81106.2 Ų106.257%0.56653%0.529SS*.  trans-90.845.8-178.7740000112.5M337M337-S341 PolarHBondContact O-N 2.76Å; M337-S341 PolarHBondContact O-OG 3.3Å
342K64.8Low75.6Confident155 Ų155106.3 Ų106.367%0.67453%0.533SS*.  trans-62.8136.2170.9-66.2-178.8-176.6178.70108.6E339 K340 V344E339-K342 WeakPolarHBondContact O-CE 3.45Å; K340-K342 VanDerWaalsContact C-N 3.28Å; K340-K342 PolarHBondContact O-N 2.88Å; K342-V344 PolarHBondContact O-N 3.05Å
343P62.7Low75.3Confident91 Ų91106.3 Ų106.359%0.59154%0.536SS*.  trans-60.9129.6178.8-18.630.3000109.9M345 V346P343-M345 WeakPolarHBondContact CB-O 3.4Å; P343-M345 PolarHBondContact O-N 3.46Å; P343-V346 HydrophobicContact CB-CG2 3.81Å; P343-V346 HydrophobicContact CG-CG2 4.06Å
344V67.3Low74.9Confident108 Ų108108.1 Ų108.166%0.65554%0.543SS*.SBendtrans-65.7-27.2-174.3-179.70000111.7K342 Y363K342-V344 PolarHBondContact O-N 3.05Å; V344-Y363 HydrophobicContact CG1-CD2 3.98Å; V344-Y363 HydrophobicContact CG1-CE2 3.27Å
345M64.8Low74.6Confident60 Ų60107.2 Ų107.230%0.29654%0.544SS..SBendtrans-129.6137.3164.2-60.1-177.4-6200108P343 F347 Y363P343-M345 WeakPolarHBondContact CB-O 3.4Å; P343-M345 PolarHBondContact O-N 3.46Å; M345-F347 HydrophobicContact CB-CE2 3.99Å; M345-F347 HydrophobicContact CB-CZ 3.94Å; M345-F347 HydrophobicContact CE-CE2 4.35Å; M345-F347 HydrophobicContact CE-CZ 4.17Å; M345-F347 HydrophobicContact SD-CZ 4.17Å; M345-Y363 HydrophobicContact SD-CD1 4.18Å; M345-Y363 HydrophobicContact SD-CG 4.07Å
346V70.1Confident74.5Confident87 Ų87107.3 Ų107.353%0.52754%0.54SS..  trans-122.6109.1177.5176.90000108.2P343P343-V346 HydrophobicContact CB-CG2 3.81Å; P343-V346 HydrophobicContact CG-CG2 4.06Å
347F74.4Confident74.4Confident92 Ų92109.6 Ų109.640%0.40455%0.551SS.*  trans-90.7136.7174.4-56.5-69.5000110.3M345 Q351 I356 M359 H360M345-F347 HydrophobicContact CB-CE2 3.99Å; M345-F347 HydrophobicContact CB-CZ 3.94Å; M345-F347 HydrophobicContact CE-CE2 4.35Å; M345-F347 HydrophobicContact CE-CZ 4.17Å; M345-F347 HydrophobicContact SD-CZ 4.17Å; F347-Q351 VanDerWaalsContact CA-OE1 3.29Å; F347-I356 HydrophobicContact CD1-CG1 3.89Å; F347-I356 HydrophobicContact CD1-CG2 4.28Å; F347-I356 HydrophobicContact CE1-CB 4.35Å; F347-I356 HydrophobicContact CE1-CG1 4.19Å; F347-I356 HydrophobicContact CE1-CG2 3.85Å; F347-M359 HydrophobicContact CD1-CE 3.62Å; F347-M359 HydrophobicContact CE1-CE 3.61Å; F347-H360 AromaticContact CZ-CE1 3.58Å; F347-H360 AromaticContact CZ-NE2 3.48Å; F347-H360 WeakPolarHBondContact CZ-NE2 3.44Å
348T78.1Confident74.8Confident81 Ų81110.6 Ų110.650%0.49755%0.554SS.*  trans-114.5150.8175.169.40000109.8N350 Q351T348-N350 PolarHBondContact O-N 2.88Å; T348-Q351 PolarHBondContact O-N 3.42Å
349K74.7Confident75.2Confident209 Ų209107.1 Ų107.191%0.90954%0.539SS*.THydrogen-bonded Turntrans-60.9-10.5-169.3-170.8173.8175.6-174.30115
350N71.3Confident75.9Confident151 Ų151103.7 Ų103.781%0.80752%0.522SS*.THydrogen-bonded Turntrans-115.74.9-172.1-58.36.4000113.6T348T348-N350 PolarHBondContact O-N 2.88Å
351Q76.4Confident76.7Confident54 Ų5499 Ų9925%0.25251%0.507SS..  trans-73.9149.6176.8-79.6166-39.500111.6F347 T348 E355 I356F347-Q351 VanDerWaalsContact CA-OE1 3.29Å; T348-Q351 PolarHBondContact O-N 3.42Å; Q351-E355 WeakPolarHBondContact CA-OE2 3.21Å; Q351-E355 WeakPolarHBondContact CB-OE2 3.3Å; Q351-E355 WeakPolarHBondContact CG-OE2 3.17Å; Q351-I356 HydrophobicContact CB-CD1 4.31Å; Q351-I356 HydrophobicContact CB-CG1 4.18Å
352S83.3Confident77.7Confident40 Ų4097.8 Ų97.828%0.2849%0.494SS..  trans-77160.3173.680.50000111.7E354 E355 I356S352-E354 PolarHBondContact O-N 3.23Å; S352-E354 PolarHBondContact OG-N 2.7Å; S352-E355 PolarHBondContact N-OE2 2.94Å; S352-E355 PolarHBondContact O-N 2.73Å; S352-E355 WeakPolarHBondContact OG-CG 3.46Å; S352-E355 PolarHBondContact OG-N 3.26Å; S352-I356 WeakPolarHBondContact O-CD1 3.45Å; S352-I356 VanDerWaalsContact O-CG1 3.25Å; S352-I356 WeakPolarHBondContact O-CG1 3.32Å; S352-I356 PolarHBondContact O-N 2.7Å; S352-I356 VanDerWaalsContact O-N 3.1Å
353E83.1Confident78.8Confident161 Ų16193.7 Ų93.775%0.75248%0.475SS*.Hα-helixtrans-60.4-37.3173.5-169.8160.1-149.600110.9I356 E357E353-I356 WeakPolarHBondContact O-CB 3.44Å; E353-I356 PolarHBondContact O-N 3.45Å; E353-E357 WeakPolarHBondContact O-CG 3.39Å; E353-E357 PolarHBondContact O-N 2.95Å
354E80.4Confident79.9Confident154 Ų15496 Ų9672%0.7247%0.472SS*.Hα-helixtrans-64-45.6176.8-57.3156.9159.200112.1S352 I356 E357 E358S352-E354 PolarHBondContact O-N 3.23Å; S352-E354 PolarHBondContact OG-N 2.7Å; E354-I356 VanDerWaalsContact C-N 3.29Å; E354-I356 PolarHBondContact O-N 3.27Å; E354-E357 PolarHBondContact O-N 2.76Å; E354-E358 PolarHBondContact O-N 3.15Å
355E81.5Confident80.9Confident96 Ų9697.3 Ų97.345%0.44947%0.469SS..Hα-helixtrans-61.8-37.8174.4-72.8171.8163.900111.6Q351 S352 M359Q351-E355 WeakPolarHBondContact CA-OE2 3.21Å; Q351-E355 WeakPolarHBondContact CB-OE2 3.3Å; Q351-E355 WeakPolarHBondContact CG-OE2 3.17Å; S352-E355 PolarHBondContact N-OE2 2.94Å; S352-E355 PolarHBondContact O-N 2.73Å; S352-E355 WeakPolarHBondContact OG-CG 3.46Å; S352-E355 PolarHBondContact OG-N 3.26Å; E355-M359 WeakPolarHBondContact O-CG 3.41Å; E355-M359 PolarHBondContact O-N 3.03Å
356I82.2Confident82Confident49 Ų49101.5 Ų101.525%0.25149%0.488SS..Hα-helixtrans-68-43.3177.3-70.2168000110.5F347 Q351 S352 E353 E354 H360F347-I356 HydrophobicContact CD1-CG1 3.89Å; F347-I356 HydrophobicContact CD1-CG2 4.28Å; F347-I356 HydrophobicContact CE1-CB 4.35Å; F347-I356 HydrophobicContact CE1-CG1 4.19Å; F347-I356 HydrophobicContact CE1-CG2 3.85Å; Q351-I356 HydrophobicContact CB-CD1 4.31Å; Q351-I356 HydrophobicContact CB-CG1 4.18Å; S352-I356 WeakPolarHBondContact O-CD1 3.45Å; S352-I356 VanDerWaalsContact O-CG1 3.25Å; S352-I356 WeakPolarHBondContact O-CG1 3.32Å; S352-I356 PolarHBondContact O-N 2.7Å; S352-I356 VanDerWaalsContact O-N 3.1Å; E353-I356 WeakPolarHBondContact O-CB 3.44Å; E353-I356 PolarHBondContact O-N 3.45Å; E354-I356 VanDerWaalsContact C-N 3.29Å; E354-I356 PolarHBondContact O-N 3.27Å; I356-H360 PolarHBondContact O-N 3.05Å; I356-H360 PolarHBondContact O-ND1 3.27Å
357E85.8Confident82.8Confident128 Ų128100.1 Ų100.160%0.59848%0.475SS*.Hα-helixtrans-66.6-38.5174.8-70.6-147.8136.500112.7E353 E354 H360 S361E353-E357 WeakPolarHBondContact O-CG 3.39Å; E353-E357 PolarHBondContact O-N 2.95Å; E354-E357 PolarHBondContact O-N 2.76Å; E357-H360 PolarHBondContact O-N 3.12Å; E357-S361 VanDerWaalsContact O-CB 3.28Å; E357-S361 WeakPolarHBondContact O-CB 3.33Å; E357-S361 PolarHBondContact O-N 3.07Å
358E87.8Confident83.4Confident121 Ų12199.1 Ų99.157%0.56548%0.48SS*.Hα-helixtrans-62.4-47.9174.8-173.9-178.4178.700111E354 H360 S361 N362E354-E358 PolarHBondContact O-N 3.15Å; E358-H360 VanDerWaalsContact C-N 3.32Å; E358-H360 PolarHBondContact O-N 2.96Å; E358-S361 WeakPolarHBondContact O-CB 3.48Å; E358-S361 PolarHBondContact O-N 3.44Å; E358-S361 VanDerWaalsContact O-N 3.09Å; E358-N362 WeakPolarHBondContact CG-ND2 3.45Å; E358-N362 WeakPolarHBondContact O-CB 3.28Å; E358-N362 PolarHBondContact O-N 2.88Å; E358-N362 PolarHBondContact OE1-ND2 2.75Å
359M83.4Confident84Confident63 Ų6397.3 Ų97.331%0.3148%0.477SS..Hα-helixtrans-58.6-43.2176.3-74.3-161.5-62.900111.7F347 E355 S361 Y363F347-M359 HydrophobicContact CD1-CE 3.62Å; F347-M359 HydrophobicContact CE1-CE 3.61Å; E355-M359 WeakPolarHBondContact O-CG 3.41Å; E355-M359 PolarHBondContact O-N 3.03Å; M359-S361 PolarHBondContact O-N 2.88Å; M359-Y363 WeakPolarHBondContact O-CB 3.35Å; M359-Y363 PolarHBondContact O-N 2.91Å
360H85.2Confident84.6Confident60 Ų6090.5 Ų90.528%0.27845%0.451SS..Hα-helixtrans-63-39.5173.7-73.8123.9000112.8F347 I356 E357 E358 R364F347-H360 AromaticContact CZ-CE1 3.58Å; F347-H360 AromaticContact CZ-NE2 3.48Å; F347-H360 WeakPolarHBondContact CZ-NE2 3.44Å; I356-H360 PolarHBondContact O-N 3.05Å; I356-H360 PolarHBondContact O-ND1 3.27Å; E357-H360 PolarHBondContact O-N 3.12Å; E358-H360 VanDerWaalsContact C-N 3.32Å; E358-H360 PolarHBondContact O-N 2.96Å; H360-R364 WeakPolarHBondContact O-CB 3.48Å; H360-R364 VanDerWaalsContact O-CG 3.31Å; H360-R364 WeakPolarHBondContact O-CG 3.4Å; H360-R364 PolarHBondContact O-N 3.49Å; H360-R364 PolarHBondContact O-NE 3.29Å
361S88.3Confident85.5Confident38 Ų3887.4 Ų87.427%0.26643%0.431SS..Hα-helixtrans-65.1-48.3178.7-167.40000111.3E357 E358 M359 R364 K365E357-S361 VanDerWaalsContact O-CB 3.28Å; E357-S361 WeakPolarHBondContact O-CB 3.33Å; E357-S361 PolarHBondContact O-N 3.07Å; E358-S361 WeakPolarHBondContact O-CB 3.48Å; E358-S361 PolarHBondContact O-N 3.44Å; E358-S361 VanDerWaalsContact O-N 3.09Å; M359-S361 PolarHBondContact O-N 2.88Å; S361-R364 PolarHBondContact O-N 3.48Å; S361-K365 WeakPolarHBondContact O-CG 3.38Å; S361-K365 PolarHBondContact O-N 3.46Å
362N87.1Confident86.2Confident56 Ų5692.2 Ų92.230%0.29945%0.451SS..Hα-helixtrans-65.5-39.2178-73.3-28000111.8E358 K365 Q366E358-N362 WeakPolarHBondContact CG-ND2 3.45Å; E358-N362 WeakPolarHBondContact O-CB 3.28Å; E358-N362 PolarHBondContact O-N 2.88Å; E358-N362 PolarHBondContact OE1-ND2 2.75Å; N362-K365 PolarHBondContact O-N 3.4Å; N362-Q366 WeakPolarHBondContact O-CB 3.4Å; N362-Q366 VanDerWaalsContact O-CG 3.27Å; N362-Q366 WeakPolarHBondContact O-CG 3.47Å; N362-Q366 PolarHBondContact O-N 2.9Å
363Y86.8Confident86.6Confident69 Ų6997.7 Ų97.727%0.27147%0.465SS..Hα-helixtrans-62-45.6172.9-177.4-108.3000112.7V344 M345 M359 K365 Q366 H367 F371V344-Y363 HydrophobicContact CG1-CD2 3.98Å; V344-Y363 HydrophobicContact CG1-CE2 3.27Å; M345-Y363 HydrophobicContact SD-CD1 4.18Å; M345-Y363 HydrophobicContact SD-CG 4.07Å; M359-Y363 WeakPolarHBondContact O-CB 3.35Å; M359-Y363 PolarHBondContact O-N 2.91Å; Y363-K365 VanDerWaalsContact C-N 3.34Å; Y363-K365 PolarHBondContact O-N 3.21Å; Y363-Q366 PolarHBondContact O-N 3.1Å; Y363-H367 AromaticContact CD2-CD2 3.52Å; Y363-H367 AromaticContact CE2-CD2 3.13Å; Y363-H367 WeakPolarHBondContact CE2-CD2 3.34Å; Y363-H367 AromaticContact CE2-NE2 3.54Å; Y363-H367 AromaticContact CZ-CD2 3.8Å; Y363-H367 PolarHBondContact O-N 3.03Å; Y363-F371 HydrophobicContact CE1-CZ 4.1Å
364R86.8Confident87Confident139 Ų13994.6 Ų94.653%0.52545%0.453SS..Hα-helixtrans-60.2-40.5175.8-76.2-178.1-64.3-116.33.2112.4H360 S361 S368H360-R364 WeakPolarHBondContact O-CB 3.48Å; H360-R364 VanDerWaalsContact O-CG 3.31Å; H360-R364 WeakPolarHBondContact O-CG 3.4Å; H360-R364 PolarHBondContact O-N 3.49Å; H360-R364 PolarHBondContact O-NE 3.29Å; S361-R364 PolarHBondContact O-N 3.48Å; R364-S368 PolarHBondContact O-N 3.09Å
365K87.9Confident87.5Confident135 Ų13591 Ų9159%0.58744%0.439SS*.Hα-helixtrans-64.6-49.8176-70.5169.6-174.5177.30111.4S361 N362 Y363 H367 S368S361-K365 WeakPolarHBondContact O-CG 3.38Å; S361-K365 PolarHBondContact O-N 3.46Å; N362-K365 PolarHBondContact O-N 3.4Å; Y363-K365 VanDerWaalsContact C-N 3.34Å; Y363-K365 PolarHBondContact O-N 3.21Å; K365-H367 PolarHBondContact O-N 2.89Å; K365-S368 VanDerWaalsContact O-CB 3.3Å; K365-S368 WeakPolarHBondContact O-CB 3.37Å; K365-S368 PolarHBondContact O-N 3.23Å; K365-S368 PolarHBondContact O-OG 3Å
366Q88Confident87.9Confident148 Ų14888.9 Ų88.969%0.69244%0.437SS*.Hα-helixtrans-63-40.5-177.3-72.1172.318.300113.1N362 Y363N362-Q366 WeakPolarHBondContact O-CB 3.4Å; N362-Q366 VanDerWaalsContact O-CG 3.27Å; N362-Q366 WeakPolarHBondContact O-CG 3.47Å; N362-Q366 PolarHBondContact O-N 2.9Å; Y363-Q366 PolarHBondContact O-N 3.1Å
367H85.4Confident88.4Confident59 Ų5991.4 Ų91.427%0.27345%0.448SS..THydrogen-bonded Turntrans-96.912.4-179.4-71.3-78.8000114.7Y363 K365 G369 D370 F371Y363-H367 AromaticContact CD2-CD2 3.52Å; Y363-H367 AromaticContact CE2-CD2 3.13Å; Y363-H367 WeakPolarHBondContact CE2-CD2 3.34Å; Y363-H367 AromaticContact CE2-NE2 3.54Å; Y363-H367 AromaticContact CZ-CD2 3.8Å; Y363-H367 PolarHBondContact O-N 3.03Å; K365-H367 PolarHBondContact O-N 2.89Å; H367-G369 VanDerWaalsContact C-N 3.27Å; H367-G369 PolarHBondContact O-N 3.06Å; H367-D370 HydrophobicContact CB-CB 4.48Å; H367-D370 IonicContact CE1-OD2 3.89Å; H367-D370 IonicContact CG-OD2 3.06Å; H367-D370 IonicContact ND1-OD2 2.9Å; H367-D370 PolarHBondContact ND1-OD2 3.35Å; H367-D370 WeakPolarHBondContact O-CB 3.39Å; H367-D370 PolarHBondContact O-N 2.89Å; H367-F371 HydrophobicContact CB-CD2 4.08Å; H367-F371 HydrophobicContact CB-CE2 3.69Å; H367-F371 HydrophobicContact CB-CZ 4.44Å; H367-F371 WeakPolarHBondContact O-CD2 3.48Å; H367-F371 PolarHBondContact O-N 3.4Å
368S88.6Confident88.7Confident70 Ų7089.2 Ų89.249%0.4944%0.443SS..Hα-helixtrans-48.5-43.3179.652.40000113.7R364 K365 F371 F372R364-S368 PolarHBondContact O-N 3.09Å; K365-S368 VanDerWaalsContact O-CB 3.3Å; K365-S368 WeakPolarHBondContact O-CB 3.37Å; K365-S368 PolarHBondContact O-N 3.23Å; K365-S368 PolarHBondContact O-OG 3Å; S368-F371 PolarHBondContact O-N 2.82Å; S368-F372 WeakPolarHBondContact O-CB 3.4Å; S368-F372 PolarHBondContact O-N 2.93Å
369G91Very high88.9Confident44 Ų4491.9 Ų91.945%0.45445%0.448SS..Hα-helixtrans-68.1-32.7176.300000114.7H367 R373H367-G369 VanDerWaalsContact C-N 3.27Å; H367-G369 PolarHBondContact O-N 3.06Å; G369-R373 WeakPolarHBondContact O-CB 3.32Å; G369-R373 PolarHBondContact O-N 3.46Å
370D87Confident89.2Confident66 Ų6690.3 Ų90.335%0.35345%0.448SS..Hα-helixtrans-70.7-42.8174-68.4-42.4000110.9H367 R373 L374H367-D370 HydrophobicContact CB-CB 4.48Å; H367-D370 IonicContact CE1-OD2 3.89Å; H367-D370 IonicContact CG-OD2 3.06Å; H367-D370 IonicContact ND1-OD2 2.9Å; H367-D370 PolarHBondContact ND1-OD2 3.35Å; H367-D370 WeakPolarHBondContact O-CB 3.39Å; H367-D370 PolarHBondContact O-N 2.89Å; D370-R373 PolarHBondContact O-N 2.99Å; D370-R373 IonicContact OD1-CZ 3.31Å; D370-R373 IonicContact OD1-NH1 2.66Å; D370-R373 PolarHBondContact OD1-NH1 2.75Å; D370-R373 IonicContact OD1-NH2 3.89Å; D370-R373 PolarHBondContact OD1-NH2 3.19Å; D370-L374 WeakPolarHBondContact O-CB 3.47Å; D370-L374 PolarHBondContact O-N 3.1Å
371F89.4Confident89.4Confident86 Ų8695.4 Ų95.438%0.37747%0.465SS..Hα-helixtrans-60.9-45.2173.1-67.5-61.3000111.4Y363 H367 S368 R373 L374 I375Y363-F371 HydrophobicContact CE1-CZ 4.1Å; H367-F371 HydrophobicContact CB-CD2 4.08Å; H367-F371 HydrophobicContact CB-CE2 3.69Å; H367-F371 HydrophobicContact CB-CZ 4.44Å; H367-F371 WeakPolarHBondContact O-CD2 3.48Å; H367-F371 PolarHBondContact O-N 3.4Å; S368-F371 PolarHBondContact O-N 2.82Å; F371-R373 PolarHBondContact O-N 3.23Å; F371-L374 PolarHBondContact O-N 3.16Å; F371-I375 WeakPolarHBondContact O-CB 3.36Å; F371-I375 WeakPolarHBondContact O-CD1 3.49Å; F371-I375 WeakPolarHBondContact O-CG1 3.47Å; F371-I375 PolarHBondContact O-N 3.06Å
372F90.7Very high89.3Confident155 Ų15598.3 Ų98.368%0.6848%0.477SS*.Hα-helixtrans-59-46176.1-175.2-91.8000112S368 L374 I375 A376S368-F372 WeakPolarHBondContact O-CB 3.4Å; S368-F372 PolarHBondContact O-N 2.93Å; F372-L374 PolarHBondContact O-N 3.27Å; F372-I375 PolarHBondContact O-N 3.38Å; F372-A376 WeakPolarHBondContact O-CB 3.44Å; F372-A376 PolarHBondContact O-N 3.29Å
373R92Very high89.1Confident154 Ų154101.5 Ų101.558%0.58149%0.49SS*.Hα-helixtrans-60.7-42.4176.8-172.4174.168.8-109.5-2.9112.1G369 D370 F371 Q377G369-R373 WeakPolarHBondContact O-CB 3.32Å; G369-R373 PolarHBondContact O-N 3.46Å; D370-R373 PolarHBondContact O-N 2.99Å; D370-R373 IonicContact OD1-CZ 3.31Å; D370-R373 IonicContact OD1-NH1 2.66Å; D370-R373 PolarHBondContact OD1-NH1 2.75Å; D370-R373 IonicContact OD1-NH2 3.89Å; D370-R373 PolarHBondContact OD1-NH2 3.19Å; F371-R373 PolarHBondContact O-N 3.23Å; R373-Q377 WeakPolarHBondContact O-CB 3.3Å; R373-Q377 PolarHBondContact O-N 2.72Å
374L92.6Very high88.9Confident96 Ų96102.5 Ų102.550%0.50350%0.503SS..Hα-helixtrans-67.5-43.6177.1-175.763.6000112D370 F371 F372 A376 Q377 V378D370-L374 WeakPolarHBondContact O-CB 3.47Å; D370-L374 PolarHBondContact O-N 3.1Å; F371-L374 PolarHBondContact O-N 3.16Å; F372-L374 PolarHBondContact O-N 3.27Å; L374-A376 VanDerWaalsContact C-N 3.34Å; L374-A376 PolarHBondContact O-N 2.9Å; L374-Q377 PolarHBondContact O-N 2.84Å; L374-V378 WeakPolarHBondContact O-CG2 3.4Å; L374-V378 PolarHBondContact O-N 2.87Å
375I89.8Confident88.6Confident80 Ų8098.6 Ų98.641%0.4150%0.501SS..Hα-helixtrans-61-43.6176.3-70.9163.8000110.5F371 F372 V378 R379F371-I375 WeakPolarHBondContact O-CB 3.36Å; F371-I375 WeakPolarHBondContact O-CD1 3.49Å; F371-I375 WeakPolarHBondContact O-CG1 3.47Å; F371-I375 PolarHBondContact O-N 3.06Å; F372-I375 PolarHBondContact O-N 3.38Å; I375-V378 PolarHBondContact O-N 2.9Å; I375-R379 HydrophobicContact CG2-CG 4.37Å; I375-R379 WeakPolarHBondContact O-CB 3.45Å; I375-R379 VanDerWaalsContact O-CG 3.28Å; I375-R379 WeakPolarHBondContact O-CG 3.35Å; I375-R379 PolarHBondContact O-N 3.21Å
376A91.1Very high88.1Confident50 Ų5098.3 Ų98.341%0.41350%0.499SS..Hα-helixtrans-61.2-43.3174.600000111.9F372 L374 R379 G380F372-A376 WeakPolarHBondContact O-CB 3.44Å; F372-A376 PolarHBondContact O-N 3.29Å; L374-A376 VanDerWaalsContact C-N 3.34Å; L374-A376 PolarHBondContact O-N 2.9Å; A376-R379 PolarHBondContact O-N 3.35Å; A376-G380 PolarHBondContact O-N 2.91Å
377Q92.6Very high87.4Confident103 Ų10396.1 Ų96.148%0.48149%0.489SS..Hα-helixtrans-63.8-41.5177.3-168.8-179.824.500112.6R373 L374 R381R373-Q377 WeakPolarHBondContact O-CB 3.3Å; R373-Q377 PolarHBondContact O-N 2.72Å; L374-Q377 PolarHBondContact O-N 2.84Å; Q377-R381 WeakPolarHBondContact O-CG 3.37Å; Q377-R381 PolarHBondContact O-N 3.35Å
378V92Very high86.6Confident82 Ų8296.1 Ų96.150%0.49750%0.499SS..Hα-helixtrans-68.5-44.9176.7172.10000111.1L374 I375 G380 R381 L382L374-V378 WeakPolarHBondContact O-CG2 3.4Å; L374-V378 PolarHBondContact O-N 2.87Å; I375-V378 PolarHBondContact O-N 2.9Å; V378-G380 VanDerWaalsContact C-N 3.33Å; V378-G380 PolarHBondContact O-N 2.64Å; V378-R381 PolarHBondContact O-N 3.21Å; V378-L382 PolarHBondContact O-N 3.09Å
379R91.8Very high85.4Confident176 Ų17698.1 Ų98.166%0.66450%0.501SS*.Hα-helixtrans-59.5-42.9174.8-74.2175.5177.8-178.7-0.6111.5I375 A376 L382 Q383I375-R379 HydrophobicContact CG2-CG 4.37Å; I375-R379 WeakPolarHBondContact O-CB 3.45Å; I375-R379 VanDerWaalsContact O-CG 3.28Å; I375-R379 WeakPolarHBondContact O-CG 3.35Å; I375-R379 PolarHBondContact O-N 3.21Å; A376-R379 PolarHBondContact O-N 3.35Å; R379-L382 PolarHBondContact O-N 2.95Å; R379-Q383 WeakPolarHBondContact O-CB 3.27Å; R379-Q383 PolarHBondContact O-N 3.34Å
380G89.8Confident84.3Confident31 Ų3199.9 Ų99.932%0.3250%0.502SS..Hα-helixtrans-60-4617500000113A376 V378 L382 Q383 T384A376-G380 PolarHBondContact O-N 2.91Å; V378-G380 VanDerWaalsContact C-N 3.33Å; V378-G380 PolarHBondContact O-N 2.64Å; G380-L382 PolarHBondContact O-N 3.27Å; G380-Q383 PolarHBondContact O-N 3.26Å; G380-T384 PolarHBondContact O-N 2.94Å; G380-T384 PolarHBondContact O-OG1 3.46Å
381R88.6Confident83Confident167 Ų167104.1 Ų104.163%0.6352%0.518SS*.Hα-helixtrans-61.6-40.9174.6-74.1175.4176.1-179.1-0.6112.7Q377 V378 Q383 T384 A385Q377-R381 WeakPolarHBondContact O-CG 3.37Å; Q377-R381 PolarHBondContact O-N 3.35Å; V378-R381 PolarHBondContact O-N 3.21Å; R381-Q383 VanDerWaalsContact C-N 3.34Å; R381-T384 PolarHBondContact O-OG1 2.89Å; R381-T384 VanDerWaalsContact O-OG1 3.12Å; R381-A385 WeakPolarHBondContact O-CB 3.45Å; R381-A385 PolarHBondContact O-N 3.43Å
382L85.9Confident81.3Confident99 Ų99106.8 Ų106.852%0.51853%0.532SS..Hα-helixtrans-66.5-37.6176.2-17861.7000111.6V378 R379 G380 K386V378-L382 PolarHBondContact O-N 3.09Å; R379-L382 PolarHBondContact O-N 2.95Å; G380-L382 PolarHBondContact O-N 3.27Å; L382-K386 HydrophobicContact CG-CD 4.5Å; L382-K386 WeakPolarHBondContact O-CG 3.5Å; L382-K386 PolarHBondContact O-N 2.94Å
383Q84.4Confident79.6Confident123 Ų123103.9 Ų103.958%0.57552%0.52SS*.Hα-helixtrans-72.9-37.7179.9-163.3169.218.600112.3R379 G380 R381 K386 Q387R379-Q383 WeakPolarHBondContact O-CB 3.27Å; R379-Q383 PolarHBondContact O-N 3.34Å; G380-Q383 PolarHBondContact O-N 3.26Å; R381-Q383 VanDerWaalsContact C-N 3.34Å; Q383-K386 PolarHBondContact O-N 3.18Å; Q383-Q387 WeakPolarHBondContact O-CB 3.27Å; Q383-Q387 WeakPolarHBondContact O-CG 3.29Å; Q383-Q387 PolarHBondContact O-N 2.91Å
384T82.1Confident77.7Confident89 Ų89100.2 Ų100.255%0.54652%0.515SS..Hα-helixtrans-69.4-36.8172.553.50000112.3G380 R381 Q387 A388G380-T384 PolarHBondContact O-N 2.94Å; G380-T384 PolarHBondContact O-OG1 3.46Å; R381-T384 PolarHBondContact O-OG1 2.89Å; R381-T384 VanDerWaalsContact O-OG1 3.12Å; T384-Q387 PolarHBondContact O-N 3.12Å; T384-A388 WeakPolarHBondContact O-CB 3.41Å; T384-A388 PolarHBondContact O-N 3.04Å
385A79.3Confident75.6Confident57 Ų57102.5 Ų102.547%0.47152%0.521SS..Hα-helixtrans-61-45.6171.700000112R381 A388 H389R381-A385 WeakPolarHBondContact O-CB 3.45Å; R381-A385 PolarHBondContact O-N 3.43Å; A385-A388 WeakPolarHBondContact O-CB 3.32Å; A385-A388 PolarHBondContact O-N 3.28Å; A385-H389 PolarHBondContact O-N 3.45Å; A385-H389 VanDerWaalsContact O-N 3.09Å
386K77.7Confident73.8Confident129 Ų129102.7 Ų102.756%0.56153%0.525SS*.Hα-helixtrans-62.1-42174.4-74.2178.7176.8-169.10112.5L382 Q383 A388 H389 V390L382-K386 HydrophobicContact CG-CD 4.5Å; L382-K386 WeakPolarHBondContact O-CG 3.5Å; L382-K386 PolarHBondContact O-N 2.94Å; Q383-K386 PolarHBondContact O-N 3.18Å; K386-A388 VanDerWaalsContact C-N 3.31Å; K386-A388 PolarHBondContact O-N 3.05Å; K386-H389 WeakPolarHBondContact O-CB 3.24Å; K386-H389 PolarHBondContact O-N 2.99Å; K386-V390 WeakPolarHBondContact O-CG2 3.37Å; K386-V390 PolarHBondContact O-N 3.49Å
387Q72.7Confident71.8Confident103 Ų103106.4 Ų106.448%0.48153%0.534SS..Hα-helixtrans-67.6-28.5175.5-74.8-178.47.400113.4Q383 T384 K391Q383-Q387 WeakPolarHBondContact O-CB 3.27Å; Q383-Q387 WeakPolarHBondContact O-CG 3.29Å; Q383-Q387 PolarHBondContact O-N 2.91Å; T384-Q387 PolarHBondContact O-N 3.12Å; Q387-K391 WeakPolarHBondContact O-CB 3.37Å; Q387-K391 VanDerWaalsContact O-CG 3.27Å; Q387-K391 WeakPolarHBondContact O-CG 3.34Å; Q387-K391 PolarHBondContact O-N 3.06Å; Q387-K391 VanDerWaalsContact O-N 3.12Å
388A69.3Low69.6Low58 Ų58109.5 Ų109.548%0.47955%0.546SS..Hα-helixtrans-68-42.817200000111.1T384 A385 K386 K391 Q392T384-A388 WeakPolarHBondContact O-CB 3.41Å; T384-A388 PolarHBondContact O-N 3.04Å; A385-A388 WeakPolarHBondContact O-CB 3.32Å; A385-A388 PolarHBondContact O-N 3.28Å; K386-A388 VanDerWaalsContact C-N 3.31Å; K386-A388 PolarHBondContact O-N 3.05Å; A388-K391 PolarHBondContact O-N 3.47Å; A388-Q392 PolarHBondContact O-N 2.94Å; A388-Q392 VanDerWaalsContact O-N 3.09Å
389H64.8Low67.4Low112 Ų112112.9 Ų112.952%0.51956%0.556SS.*Hα-helixtrans-59.7-52175.6-155.7-82.7000111.8A385 K386 K391 Q392 E393A385-H389 PolarHBondContact O-N 3.45Å; A385-H389 VanDerWaalsContact O-N 3.09Å; K386-H389 WeakPolarHBondContact O-CB 3.24Å; K386-H389 PolarHBondContact O-N 2.99Å; H389-K391 VanDerWaalsContact C-N 3.29Å; H389-K391 PolarHBondContact O-N 3.49Å; H389-Q392 WeakPolarHBondContact O-CA 3.48Å; H389-Q392 VanDerWaalsContact O-CB 3.3Å; H389-Q392 WeakPolarHBondContact O-CB 3.3Å; H389-Q392 PolarHBondContact O-N 2.77Å; H389-E393 IonicContact CE1-OE1 3.7Å; H389-E393 PolarHBondContact CE1-OE1 3.26Å; H389-E393 IonicContact CE1-OE2 3.48Å; H389-E393 IonicContact CG-OE2 3.91Å; H389-E393 IonicContact ND1-OE1 2.69Å; H389-E393 PolarHBondContact ND1-OE1 2.63Å; H389-E393 IonicContact ND1-OE2 2.77Å; H389-E393 PolarHBondContact ND1-OE2 2.89Å; H389-E393 PolarHBondContact O-N 3.14Å
390V66.8Low65.2Low81 Ų81111.9 Ų111.949%0.49156%0.559SS.*Hα-helixtrans-60.7-36178.3173.80000112.2K386 Q392 E393 V394K386-V390 WeakPolarHBondContact O-CG2 3.37Å; K386-V390 PolarHBondContact O-N 3.49Å; V390-Q392 VanDerWaalsContact C-N 3.27Å; V390-Q392 PolarHBondContact O-N 3.34Å; V390-E393 WeakPolarHBondContact CA-OE2 3.5Å; V390-E393 PolarHBondContact N-OE2 3.42Å; V390-E393 PolarHBondContact O-N 3.03Å; V390-V394 HydrophobicContact CG1-CG2 4.31Å; V390-V394 WeakPolarHBondContact O-CB 3.3Å; V390-V394 VanDerWaalsContact O-CG2 3.27Å; V390-V394 WeakPolarHBondContact O-CG2 3.49Å; V390-V394 PolarHBondContact O-N 2.77Å
391K59.2Low62.8Low156 Ų156115.8 Ų115.868%0.67858%0.577SS**Hα-helixtrans-70.5-20.8174-77.8175.1178.5176.50113.7Q387 A388 H389Q387-K391 WeakPolarHBondContact O-CB 3.37Å; Q387-K391 VanDerWaalsContact O-CG 3.27Å; Q387-K391 WeakPolarHBondContact O-CG 3.34Å; Q387-K391 PolarHBondContact O-N 3.06Å; Q387-K391 VanDerWaalsContact O-N 3.12Å; A388-K391 PolarHBondContact O-N 3.47Å; H389-K391 VanDerWaalsContact C-N 3.29Å; H389-K391 PolarHBondContact O-N 3.49Å
392Q55.5Low60.5Low142 Ų142117.1 Ų117.166%0.66459%0.59SS**Hα-helixtrans-82.7-42.4174.4-169.6168.8-30.700110.5A388 H389 V390 K395 V396A388-Q392 PolarHBondContact O-N 2.94Å; A388-Q392 VanDerWaalsContact O-N 3.09Å; H389-Q392 WeakPolarHBondContact O-CA 3.48Å; H389-Q392 VanDerWaalsContact O-CB 3.3Å; H389-Q392 WeakPolarHBondContact O-CB 3.3Å; H389-Q392 PolarHBondContact O-N 2.77Å; V390-Q392 VanDerWaalsContact C-N 3.27Å; V390-Q392 PolarHBondContact O-N 3.34Å; Q392-K395 WeakPolarHBondContact O-CB 3.18Å; Q392-K395 PolarHBondContact O-N 2.94Å; Q392-V396 PolarHBondContact O-N 3Å
393E53.1Low58.3Low94 Ų94116.4 Ų116.444%0.43960%0.598SS.*Hα-helixtrans-61.9-50.1174.8-70.3160.6139.300111.8H389 V390 K395 V396 E397H389-E393 IonicContact CE1-OE1 3.7Å; H389-E393 PolarHBondContact CE1-OE1 3.26Å; H389-E393 IonicContact CE1-OE2 3.48Å; H389-E393 IonicContact CG-OE2 3.91Å; H389-E393 IonicContact ND1-OE1 2.69Å; H389-E393 PolarHBondContact ND1-OE1 2.63Å; H389-E393 IonicContact ND1-OE2 2.77Å; H389-E393 PolarHBondContact ND1-OE2 2.89Å; H389-E393 PolarHBondContact O-N 3.14Å; V390-E393 WeakPolarHBondContact CA-OE2 3.5Å; V390-E393 PolarHBondContact N-OE2 3.42Å; V390-E393 PolarHBondContact O-N 3.03Å; E393-K395 PolarHBondContact O-N 3.36Å; E393-V396 PolarHBondContact O-N 3.13Å; E393-E397 PolarHBondContact O-N 2.92Å
394V53.3Low55.9Low77 Ų77116.3 Ų116.347%0.46761%0.612SS.*Hα-helixtrans-63.3-14.4176.5171.70000113.2V390V390-V394 HydrophobicContact CG1-CG2 4.31Å; V390-V394 WeakPolarHBondContact O-CB 3.3Å; V390-V394 VanDerWaalsContact O-CG2 3.27Å; V390-V394 WeakPolarHBondContact O-CG2 3.49Å; V390-V394 PolarHBondContact O-N 2.77Å
395K48.5Very low53.6Low144 Ų144121.2 Ų121.263%0.62663%0.628SS**Hα-helixtrans-82.5-33.5170.7-166.4-175172.8-162.40112.2Q392 E393Q392-K395 WeakPolarHBondContact O-CB 3.18Å; Q392-K395 PolarHBondContact O-N 2.94Å; E393-K395 PolarHBondContact O-N 3.36Å
396V51.7Low51.3Low84 Ų84124 Ų12451%0.50964%0.644SS.*Hα-helixtrans-72.2-49.1178.7177.30000110.9Q392 E393 K398 E399Q392-V396 PolarHBondContact O-N 3Å; E393-V396 PolarHBondContact O-N 3.13Å; V396-K398 PolarHBondContact O-N 3.37Å; V396-E399 PolarHBondContact O-N 3.37Å
397E49.7Very low49Very low127 Ų127122.7 Ų122.759%0.59365%0.651SS**Hα-helixtrans-57.3-27.4-179.2-65.1-176.9139.600113.4E393 T401E393-E397 PolarHBondContact O-N 2.92Å; E397-T401 PolarHBondContact O-N 2.76Å; E397-T401 PolarHBondContact O-OG1 3.3Å
398K45.1Very low47Very low169 Ų169123.5 Ų123.574%0.73566%0.662SS**Hα-helixtrans-78.3-12.5179.6-105.2-173.7176.3-177.30115.3V396V396-K398 PolarHBondContact O-N 3.37Å
399E47.1Very low45.3Very low152 Ų152128.8 Ų128.871%0.7168%0.677SS**Hα-helixtrans-94-20.6173.1-68.5-179.1-179.100111.5V396V396-E399 PolarHBondContact O-N 3.37Å
400E44.3Very low43.8Very low155 Ų155129.9 Ų129.972%0.72469%0.691SS**Hα-helixtrans-91.8-24.9179.9-62.3-168.1138.900114.6Q402E400-Q402 VanDerWaalsContact C-N 3.25Å; E400-Q402 PolarHBondContact O-N 3.42Å; E400-Q402 VanDerWaalsContact O-N 3.13Å
401T40.1Very low41.9Very low114 Ų114129.5 Ų129.570%0.69970%0.704SS**THydrogen-bonded Turntrans-76.86.4-173.128.40000116.2E397 A403E397-T401 PolarHBondContact O-N 2.76Å; E397-T401 PolarHBondContact O-OG1 3.3Å; T401-A403 VanDerWaalsContact C-N 3.28Å; T401-A403 PolarHBondContact O-N 3.17Å
402Q41.2Very low40.8Very low195 Ų195129.2 Ų129.291%0.91171%0.71SS**THydrogen-bonded Turntrans-85.611.5178.3-146.9173.713.100114.5E400E400-Q402 VanDerWaalsContact C-N 3.25Å; E400-Q402 PolarHBondContact O-N 3.42Å; E400-Q402 VanDerWaalsContact O-N 3.13Å
403A39.5Very low39.6Very low83 Ų83129.2 Ų129.269%0.68672%0.72SS**SBendtrans-135.967.5-177.500000114.6T401T401-A403 VanDerWaalsContact C-N 3.28Å; T401-A403 PolarHBondContact O-N 3.17Å
404S32.3Very low38.8Very low122 Ų122132.3 Ų132.385%0.85374%0.739SS**  trans176.5130.7143.7-82.80000112.8
405H33.8Very low37.7Very low192 Ų192136 Ų13689%0.88976%0.756SS**  trans-92.2140.4166.1-98.1-109.6000110.4
406S31.6Very low37Very low115 Ų115133.9 Ų133.980%0.80476%0.76SS**  162.2154111.756.30000115.9
407S30Very low36Very low102 Ų102135.6 Ų135.671%0.71377%0.77SS**  trans83.394.3140.2-162.80000123.3
408V31.3Very low35.3Very low119 Ų119135.9 Ų135.972%0.72178%0.78SS**  86127.2124.2173.90000122.3
409H32.1Very low34.6Very low169 Ų169135.1 Ų135.178%0.78278%0.783SS**  trans46.8119.8157.6-70.6-42.5000121
410V33.3Very low33.7Very low135 Ų135136.6 Ų136.682%0.81879%0.787SS**  97.5127.257.7158.90000112.8
411G27.7Very low33.4Very low74 Ų74134.6 Ų134.676%0.76379%0.785SS**  trans167.7112.1171.100000112.8
412D34.9Very low32.9Very low149 Ų149137.8 Ų137.880%0.79779%0.792SS**  trans-79.1153.8175.7-61.2-79.7000112.7
413T31.2Very low32.7Very low142 Ų142135.6 Ų135.687%0.87179%0.787SS**  171.3156.8112.933.20000112.9
414N36.5Very low32.3Very low160 Ų160141 Ų14186%0.85680%0.797SS**  trans-80157.3172.9-49.7-70.8000111.4
415N29.6Very low32.8Very low153 Ų153143.6 Ų143.682%0.81880%0.796SS**  -154.8159.8115.6-147-4000112.9
416S35Very low32.6Very low101 Ų101142.3 Ų142.371%0.70680%0.796SS**  trans-129.9143.4166.576.30000110.2
417V29Very low32.6Very low119 Ų119143.7 Ų143.772%0.72179%0.794SS**  trans-140.6135.5169.5179.30000108.5
418V35Very low32.8Very low133 Ų133147 Ų14781%0.80680%0.799SS**  trans-135.7118.3173.4175.90000108.7
419I30.7Very low32.8Very low153 Ų153148.2 Ų148.279%0.78580%0.801SS**  trans-140.2116.2162.4-54179.9000104.2
420K28.4Very low32.8Very low184 Ų184144 Ų14480%0.879%0.791SS**  84.1141.654.7-96.5-161.4166.6-158.90114.9
421V38.1Very low32.4Very low113 Ų113147.3 Ų147.369%0.68579%0.794SS**  trans-91.1158.3-164.7-149.90000110.9
422E30.7Very low32.5Very low181 Ų181148.8 Ų148.885%0.84680%0.799SS**  -171.4163.8119.7-98149.6-143.200110.5
423D34.9Very low32.3Very low149 Ų149153.1 Ų153.180%0.79781%0.805SS**  trans-97176.3-170.8-53-86.1000112.8
424E31.2Very low32Very low195 Ų195150.1 Ų150.191%0.91180%0.801SS**  trans178.9163.3152-95.7-76.8115.300109.9
425E43.9Very low31.6Very low178 Ų178150.9 Ų150.983%0.83280%0.802SS**  trans-121.7139.5-169.6-58.2-179.6151.100114.2
426N28.7Very low31.4Very low164 Ų164152.8 Ų152.888%0.87781%0.806SS**  trans-170.2170.3150.3-119.6-81.2000115.2
427D32.4Very low31.2Very low144 Ų144156.2 Ų156.277%0.7782%0.815SS**  trans-100.9-173.6-166.4-72.2-64.2000116.5
428E35Very low31.4Very low173 Ų173155.6 Ų155.681%0.80881%0.814SS**  trans83.584162-60.5-64.5106.500121.3
429D29.4Very low31Very low143 Ų143154.4 Ų154.477%0.76581%0.812SS**  67.1155.3122.3-159.442.9000125
430S32.6Very low30.9Very low82 Ų82153 Ų15357%0.57382%0.816SS**  trans81.6103.5152.8-87.80000122.8
431F25.3Very low31.5Very low204 Ų204150.2 Ų150.290%0.89582%0.816SS**  trans49.8113137.2-82.2-92.6000122.6
432A30.2Very low31.1Very low105 Ų105149.3 Ų149.387%0.86882%0.815SS**  trans-157.4131130.900000113.7
433R30.1Very low31.1Very low240 Ų240149.8 Ų149.891%0.90681%0.814SS**  trans-80.8135.2179.7166.2-171.1-75.6-177.5-6112
434G26Very low30.9Very low78 Ų78148 Ų14880%0.80481%0.813SS**  trans-143.431.4-173.500000118.9
435M27.8Very low31Very low176 Ų176145.7 Ų145.787%0.86781%0.807SS**  trans30.8107.1166.3-60.6-167.9117.700120.2
436E24.9Very low30.6Very low194 Ų194141.8 Ų141.891%0.90780%0.795SS**  trans-82.5155.9154.6-65.7-164.8144.300112
437L30.7Very low30.7Very low172 Ų172139.7 Ų139.790%0.90179%0.793SS**  trans-112.3138167.7-90.8170000110.4
438P32.5Very low30.9Very low107 Ų107139.5 Ų139.570%0.69579%0.791SS**  trans-90.8156.6-17836.1-34.9000112.6
439S27.5Very low30.7Very low108 Ų108136.3 Ų136.376%0.75579%0.788SS**  159.2124.3117.5-71.70000113.5
440S29.1Very low31.1Very low124 Ų124134.9 Ų134.987%0.86779%0.789SS**  trans-160.8112.7149.1-810000109.5
441P40.4Very low31.5Very low125 Ų125136.1 Ų136.181%0.81280%0.798SS**  trans-98.2-178.8176.938.7-34.8000112.6
442S30.5Very low31.9Very low93 Ų93134.2 Ų134.265%0.6580%0.795SS**  trans89.2110.9164.7-164.90000118.6
443F30.2Very low32.2Very low192 Ų192133.8 Ų133.884%0.84279%0.786SS**  trans9.4135.2132.8-39.3-75.7000117
444S31.5Very low32.7Very low110 Ų110129.4 Ų129.477%0.76978%0.78SS**  cis-158.9-17928.3580000110.5
445D31.3Very low33.7Very low147 Ų147130.2 Ų130.279%0.78677%0.765SS**  cis-151.5-163.911.8-159.344.2000113.9
446V36.1Very low34.6Very low96 Ų96126.2 Ų126.258%0.58274%0.743SS**  trans-63.3141.3-173.5174.70000115.2I448V446-I448 HydrophobicContact CG1-CD1 4.32Å; V446-I448 HydrophobicContact CG1-CG1 3.56Å
447S31Very low35.2Very low120 Ų120119.8 Ų119.884%0.83973%0.729SS**  trans-142.8123.4145.8-81.50000110.1
448I36.3Very low35.9Very low140 Ų140117.9 Ų117.972%0.71873%0.727SS**  trans-85.9115.4-165.9-52.8173.1000110.4V446 S450V446-I448 HydrophobicContact CG1-CD1 4.32Å; V446-I448 HydrophobicContact CG1-CG1 3.56Å; I448-S450 PolarHBondContact O-N 3.2Å
449S30.8Very low36Very low107 Ų107121.7 Ų121.775%0.74874%0.735SS**  trans-79.399.316442.30000109.8S451S449-S451 VanDerWaalsContact C-N 3.28Å; S449-S451 PolarHBondContact O-N 3.26Å
450S38.3Very low36.2Very low113 Ų113121.6 Ų121.679%0.7974%0.735SS**  trans-69.975.3-177.9-62.10000113.7I448I448-S450 PolarHBondContact O-N 3.2Å
451S40.6Very low36.4Very low107 Ų107121.6 Ų121.675%0.74874%0.735SS**  trans-126.474.5170.6-67.80000110.3S449S449-S451 VanDerWaalsContact C-N 3.28Å; S449-S451 PolarHBondContact O-N 3.26Å
452I33.6Very low36Very low165 Ų165122.3 Ų122.385%0.84673%0.73SS**  trans-103.3115.5167.7-70.4178000108.6
453S37.1Very low36Very low96 Ų96125.2 Ų125.267%0.67174%0.739SS**  trans-82172.2-174.8-48.40000113.8I455S453-I455 PolarHBondContact O-N 3.11Å
454D40.1Very low36Very low147 Ų147122.1 Ų122.179%0.78673%0.73SS**  trans-0.2100.1162.5-68.8-70.8000118.8F456D454-F456 PolarHBondContact O-N 3.01Å
455I47.2Very low36Very low96 Ų96125.6 Ų125.649%0.49273%0.734SS.*THydrogen-bonded Turntrans-73.2-2.3169.4-71.8171.8000112.8Y55 S453Y55-I455 HydrophobicContact CD1-CG2 4.33Å; Y55-I455 HydrophobicContact CE1-CG2 4.27Å; S453-I455 PolarHBondContact O-N 3.11Å
456F46Very low35.9Very low92 Ų92125.4 Ų125.440%0.40473%0.732SS.*THydrogen-bonded Turntrans-135.351-171.7-62.5-75.3000114.8K51 D454K51-F456 HydrophobicContact CD-CE2 4.4Å; K51-F456 HydrophobicContact CD-CZ 4.22Å; K51-F456 HydrophobicContact CG-CE1 4.11Å; K51-F456 HydrophobicContact CG-CZ 3.9Å; D454-F456 PolarHBondContact O-N 3.01Å
457G39.5Very low35.6Very low59 Ų59126.5 Ų126.561%0.60874%0.74SS**PPolyproline II helixtrans-73.9149.6161.600000112.3
458P43.7Very low35.6Very low131 Ų131127 Ų12785%0.85174%0.737SS**PPolyproline II helixtrans-81.1140.7172.733-32.9000111.6
459E35.8Very low35.3Very low187 Ų187126 Ų12687%0.87474%0.738SS**PPolyproline II helixtrans-72.6141176.3-63.9176.7151.600111.7
460S31.4Very low35.1Very low106 Ų106126.1 Ų126.174%0.74174%0.739SS**PPolyproline II helixtrans-88121.8170.641.50000110.6I462S460-I462 PolarHBondContact O-N 3.25Å
461S32.5Very low34.7Very low124 Ų124126.2 Ų126.287%0.86774%0.739SS**  trans-65.6113.5179.8-52.60000111.8
462I31.7Very low34.1Very low140 Ų140125.9 Ų125.972%0.71874%0.743SS**  trans-92.2110.2170.5-57.5177.8000108.6S460 I464S460-I462 PolarHBondContact O-N 3.25Å; I462-I464 HydrophobicContact CG2-CD1 4.5Å; I462-I464 HydrophobicContact CG2-CG1 3.87Å
463N30.6Very low34Very low155 Ų155128.4 Ų128.483%0.82975%0.748SS**  trans-81.6140.3156.3-80.7-22.4000108.4
464I31.1Very low33.7Very low127 Ų127133 Ų13365%0.65176%0.756SS**  trans-117.8110.3168.5-56.9-179.2000107.3I462I462-I464 HydrophobicContact CG2-CD1 4.5Å; I462-I464 HydrophobicContact CG2-CG1 3.87Å
465E30.9Very low33Very low183 Ų183136.5 Ų136.586%0.85576%0.758SS**  trans-105.7100.8162.2-75.7-172.2121.900107.9T467E465-T467 PolarHBondContact O-N 3Å; E465-T467 VanDerWaalsContact O-N 3.09Å
466D29.8Very low32.7Very low142 Ų142137.9 Ų137.976%0.75977%0.773SS**  trans-73.599.6177.6-77.7-48.8000111
467T29.4Very low31.8Very low120 Ų120138.3 Ų138.374%0.73679%0.788SS**  trans-113.391.4171.4-530000110.1E465E465-T467 PolarHBondContact O-N 3Å; E465-T467 VanDerWaalsContact O-N 3.09Å
468V31.3Very low31.4Very low130 Ų130141.2 Ų141.279%0.78880%0.799SS**  trans-96.5117.7-179-179.60000110.7
469T29.1Very low30.7Very low118 Ų118142.1 Ų142.172%0.72480%0.796SS**  trans-143.6152.3171.446.10000112.9
470S27.3Very low30.5Very low110 Ų110139.8 Ų139.877%0.76980%0.795SS**  trans71.4153.1-172.490.60000113.9
471S29.8Very low30.5Very low115 Ų115142.8 Ų142.880%0.80480%0.797SS**  cis-131.4156.814.1-81.50000113.8
472A27.7Very low30.5Very low101 Ų101145 Ų14584%0.83580%0.796SS**  trans-97.2150.1-175.800000113.8
473K32.3Very low30.7Very low218 Ų218143.1 Ų143.195%0.94880%0.796SS**  trans-127.9159.4158.1-81.3-175.4175.3177.10109.6
474K30.3Very low31.3Very low192 Ų192141.3 Ų141.384%0.83579%0.792SS**  trans-125.6134.3-154.4-134.2177.4-172.51740113
475R26.5Very low31.3Very low220 Ų220142.8 Ų142.883%0.8380%0.801SS**  trans68.7163.9157.9-82.1-176.1171-176.2-4117.9
476P39.3Very low31.6Very low125 Ų125140 Ų14081%0.81280%0.797SS**  cis-119.3177.75.235.3-18000116.9
477S27.9Very low31.9Very low102 Ų102137.3 Ų137.371%0.71380%0.803SS**  trans-64.3157.8-168.6-38.10000118.5
478S30.7Very low32.5Very low120 Ų120141.6 Ų141.684%0.83981%0.811SS**  trans-146.4164.9132.561.40000110.2
479N29.2Very low33.1Very low149 Ų149147.5 Ų147.580%0.79782%0.819SS**  trans-94.8162.3-169.2-53.9-24.5000112.6
480T31.9Very low33.7Very low139 Ų139150.9 Ų150.985%0.85383%0.827SS**  -175154.3118.5-71.50000110
481E30.7Very low34.6Very low168 Ų168157.4 Ų157.479%0.78584%0.835SS**  trans-85.6152.3-175.3-54.1161.5112.300113.1
482M32.7Very low35.5Very low170 Ų170161.4 Ų161.484%0.83784%0.838SS**  -179.3164.5117.6-96.6-85.883.300111.2
483S36.5Very low36.7Very low101 Ų101166.5 Ų166.571%0.70686%0.859SS**  trans-110.5-158.6-161.3-45.40000112.3
484P43.4Very low37Very low117 Ų117164 Ų16476%0.7686%0.855SS**  trans-116.4178.4-130.637.2-18.5000114.7
485D31.3Very low37.3Very low158 Ų158162.5 Ų162.585%0.84586%0.856SS**  trans-139154.3151.6-165.213.1000111.3
486T37.3Very low37.9Very low125 Ų125159.3 Ų159.377%0.76786%0.857SS**  trans-126.399.8-167.452.60000112.7
487G34.4Very low37.8Very low85 Ų85161.3 Ų161.388%0.87686%0.86SS**  trans-109.169.7-174.900000115.9
488K43.8Very low38.4Very low210 Ų210165 Ų16591%0.91387%0.869SS**  trans-78.6128.1167.2-71.8-178.8-178.7174.70110.7
489R42Very low39Very low254 Ų254168 Ų16896%0.95887%0.871SS**  trans-147.9155.2154.5-130.3174.3-176.8-174.80.1113.7
490Q42.8Very low39.6Very low190 Ų190169.4 Ų169.489%0.88888%0.876SS**  trans-98.6164-164.5-66.9161.4-75.500113.6
491R45.7Very low40.2Very low246 Ų246171.7 Ų171.793%0.92888%0.878SS**  trans-57.1133160.2-78.8176.3164.6167.1-6.6112.1
492K49.2Very low41Very low199 Ų199172 Ų17287%0.86589%0.886SS**  trans-164.5147.2137.5-99.7174.6-178.2-1770105.5
493T53.4Low41.8Very low209 Ų209172.2 Ų172.2100%1.28289%0.89SS**  cis-112.10550.90000111.6

Retrieved 493 of 493 residues in 69.2 ms (Link to these results)

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